USER MOD reduce.3.24.130724 H: found=0, std=0, add=389, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 307 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 20 LYS NZ :NH3+ -164:sc= 0.686 (180deg=-0.416) USER MOD Set 1.2: A 54 THR OG1 : rot -110:sc= 0.77 USER MOD Set 2.1: A 31 THR OG1 : rot 168:sc= 0.745 USER MOD Set 2.2: A 33 CYS SG : rot -57:sc= 2.13 USER MOD Set 2.3: A 35 HIS : no HE2:sc= -7.44! C(o=-9.4!,f=-15!) USER MOD Set 2.4: A 53 CYS SG : rot 169:sc= -4.88! USER MOD Set 2.5: A 56 CYS SG : rot -27:sc= 0.0482 USER MOD Set 3.1: A 18 CYS SG : rot 153:sc= -0.609 USER MOD Set 3.2: A 21 CYS SG : rot -34:sc= -7.55! USER MOD Set 3.3: A 38 CYS SG : rot -136:sc= 0.824 USER MOD Set 3.4: A 41 CYS SG : rot 91:sc= -2.39 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 HIS :FLIP no HD1:sc= -2.77! C(o=-3.6!,f=-2.8!) USER MOD Single : A 26 CYS SG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot -68:sc= 1.11 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= -0.0445 K(o=-0.045,f=-1.6) USER MOD Single : A 40 SER OG : rot 180:sc= -0.538 USER MOD Single : A 42 MET CE :methyl 180:sc= -8.86! (180deg=-8.86!) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot -49:sc= 0.72 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= -0.273 X(o=-0.27,f=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 187 N TYR A 16 -14.191 8.212 1.792 1.00 0.00 N ATOM 188 CA TYR A 16 -13.743 7.391 2.912 1.00 0.00 C ATOM 189 C TYR A 16 -12.708 8.133 3.751 1.00 0.00 C ATOM 190 O TYR A 16 -12.455 9.320 3.542 1.00 0.00 O ATOM 191 CB TYR A 16 -13.156 6.074 2.404 1.00 0.00 C ATOM 192 CG TYR A 16 -14.147 5.222 1.643 1.00 0.00 C ATOM 193 CD1 TYR A 16 -15.455 5.649 1.450 1.00 0.00 C ATOM 194 CD2 TYR A 16 -13.775 3.990 1.118 1.00 0.00 C ATOM 195 CE1 TYR A 16 -16.365 4.873 0.758 1.00 0.00 C ATOM 196 CE2 TYR A 16 -14.678 3.209 0.423 1.00 0.00 C ATOM 197 CZ TYR A 16 -15.971 3.654 0.245 1.00 0.00 C ATOM 198 OH TYR A 16 -16.873 2.879 -0.446 1.00 0.00 O ATOM 0 HA TYR A 16 -14.607 7.176 3.541 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -12.305 6.291 1.758 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -12.776 5.504 3.252 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -15.766 6.604 1.848 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -12.763 3.638 1.256 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -17.379 5.218 0.619 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -14.373 2.254 0.021 1.00 0.00 H new ATOM 0 HH TYR A 16 -16.436 2.053 -0.741 1.00 0.00 H new ATOM 207 N LYS A 17 -12.110 7.425 4.703 1.00 0.00 N ATOM 208 CA LYS A 17 -11.100 8.012 5.575 1.00 0.00 C ATOM 209 C LYS A 17 -10.208 6.932 6.178 1.00 0.00 C ATOM 210 O LYS A 17 -10.681 5.858 6.551 1.00 0.00 O ATOM 211 CB LYS A 17 -11.766 8.821 6.690 1.00 0.00 C ATOM 212 CG LYS A 17 -10.896 8.988 7.923 1.00 0.00 C ATOM 213 CD LYS A 17 -11.406 8.151 9.085 1.00 0.00 C ATOM 214 CE LYS A 17 -12.312 8.961 9.999 1.00 0.00 C ATOM 215 NZ LYS A 17 -13.622 8.289 10.219 1.00 0.00 N ATOM 0 H LYS A 17 -12.308 6.442 4.890 1.00 0.00 H new ATOM 0 HA LYS A 17 -10.480 8.677 4.974 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -12.029 9.806 6.305 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -12.697 8.332 6.976 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -9.872 8.699 7.688 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -10.873 10.038 8.213 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -11.951 7.288 8.702 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -10.561 7.766 9.656 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -11.817 9.114 10.958 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -12.478 9.947 9.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -14.210 8.873 10.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -14.106 8.165 9.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -13.466 7.359 10.657 1.00 0.00 H new ATOM 225 N CYS A 18 -8.915 7.225 6.275 1.00 0.00 N ATOM 226 CA CYS A 18 -7.956 6.279 6.835 1.00 0.00 C ATOM 227 C CYS A 18 -8.283 5.973 8.293 1.00 0.00 C ATOM 228 O CYS A 18 -8.670 6.860 9.053 1.00 0.00 O ATOM 229 CB CYS A 18 -6.536 6.837 6.726 1.00 0.00 C ATOM 230 SG CYS A 18 -5.295 5.902 7.680 1.00 0.00 S ATOM 0 H CYS A 18 -8.507 8.110 5.973 1.00 0.00 H new ATOM 0 HA CYS A 18 -8.021 5.353 6.264 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -6.240 6.847 5.677 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -6.537 7.872 7.067 1.00 0.00 H new ATOM 0 HG CYS A 18 -4.126 6.047 7.130 1.00 0.00 H new ATOM 234 N GLU A 19 -8.126 4.709 8.676 1.00 0.00 N ATOM 235 CA GLU A 19 -8.406 4.285 10.044 1.00 0.00 C ATOM 236 C GLU A 19 -7.200 4.531 10.946 1.00 0.00 C ATOM 237 O GLU A 19 -6.999 3.828 11.937 1.00 0.00 O ATOM 238 CB GLU A 19 -8.788 2.804 10.074 1.00 0.00 C ATOM 239 CG GLU A 19 -10.244 2.544 9.731 1.00 0.00 C ATOM 240 CD GLU A 19 -11.182 3.554 10.362 1.00 0.00 C ATOM 241 OE1 GLU A 19 -11.451 3.435 11.576 1.00 0.00 O ATOM 242 OE2 GLU A 19 -11.647 4.463 9.643 1.00 0.00 O ATOM 0 H GLU A 19 -7.807 3.962 8.059 1.00 0.00 H new ATOM 0 HA GLU A 19 -9.243 4.875 10.417 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -8.156 2.260 9.372 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -8.580 2.404 11.066 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -10.368 2.566 8.648 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -10.518 1.543 10.063 1.00 0.00 H new ATOM 247 N LYS A 20 -6.398 5.530 10.595 1.00 0.00 N ATOM 248 CA LYS A 20 -5.212 5.870 11.372 1.00 0.00 C ATOM 249 C LYS A 20 -5.096 7.380 11.554 1.00 0.00 C ATOM 250 O LYS A 20 -5.225 7.893 12.665 1.00 0.00 O ATOM 251 CB LYS A 20 -3.956 5.328 10.685 1.00 0.00 C ATOM 252 CG LYS A 20 -3.133 4.404 11.565 1.00 0.00 C ATOM 253 CD LYS A 20 -2.151 3.583 10.746 1.00 0.00 C ATOM 254 CE LYS A 20 -1.407 2.577 11.612 1.00 0.00 C ATOM 255 NZ LYS A 20 -1.398 2.980 13.045 1.00 0.00 N ATOM 0 H LYS A 20 -6.548 6.119 9.776 1.00 0.00 H new ATOM 0 HA LYS A 20 -5.307 5.411 12.356 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -4.248 4.791 9.782 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -3.334 6.166 10.370 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -2.589 4.993 12.304 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -3.797 3.737 12.115 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -2.686 3.058 9.954 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -1.435 4.247 10.261 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -1.874 1.597 11.513 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -0.382 2.479 11.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -0.672 2.437 13.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -1.186 3.995 13.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.330 2.790 13.465 1.00 0.00 H new ATOM 265 N CYS A 21 -4.851 8.087 10.455 1.00 0.00 N ATOM 266 CA CYS A 21 -4.717 9.537 10.493 1.00 0.00 C ATOM 267 C CYS A 21 -6.044 10.215 10.164 1.00 0.00 C ATOM 268 O CYS A 21 -6.134 11.442 10.125 1.00 0.00 O ATOM 269 CB CYS A 21 -3.639 9.997 9.509 1.00 0.00 C ATOM 270 SG CYS A 21 -3.828 9.315 7.829 1.00 0.00 S ATOM 0 H CYS A 21 -4.741 7.678 9.527 1.00 0.00 H new ATOM 0 HA CYS A 21 -4.423 9.823 11.503 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -3.654 11.085 9.452 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -2.661 9.712 9.898 1.00 0.00 H new ATOM 0 HG CYS A 21 -4.306 8.108 7.902 1.00 0.00 H new ATOM 274 N HIS A 22 -7.072 9.406 9.928 1.00 0.00 N ATOM 275 CA HIS A 22 -8.395 9.927 9.604 1.00 0.00 C ATOM 276 C HIS A 22 -8.353 10.759 8.326 1.00 0.00 C ATOM 277 O HIS A 22 -9.164 11.667 8.138 1.00 0.00 O ATOM 278 CB HIS A 22 -8.932 10.772 10.759 1.00 0.00 C ATOM 279 CG HIS A 22 -8.100 10.684 12.002 1.00 0.00 C ATOM 280 ND1 HIS A 22 -7.649 9.611 12.692 1.00 0.00 N flip ATOM 281 CD2 HIS A 22 -7.636 11.794 12.677 1.00 0.00 C flip ATOM 282 CE1 HIS A 22 -6.928 10.087 13.760 1.00 0.00 C flip ATOM 283 NE2 HIS A 22 -6.936 11.407 13.727 1.00 0.00 N flip ATOM 0 H HIS A 22 -7.014 8.388 9.955 1.00 0.00 H new ATOM 0 HA HIS A 22 -9.062 9.080 9.444 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -8.988 11.813 10.442 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -9.949 10.454 10.989 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -7.817 12.820 12.391 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -6.435 9.480 14.505 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -6.479 12.023 14.399 1.00 0.00 H new ATOM 290 N LEU A 23 -7.404 10.446 7.453 1.00 0.00 N ATOM 291 CA LEU A 23 -7.255 11.166 6.192 1.00 0.00 C ATOM 292 C LEU A 23 -8.385 10.819 5.231 1.00 0.00 C ATOM 293 O LEU A 23 -8.535 9.668 4.820 1.00 0.00 O ATOM 294 CB LEU A 23 -5.905 10.839 5.551 1.00 0.00 C ATOM 295 CG LEU A 23 -4.806 11.888 5.724 1.00 0.00 C ATOM 296 CD1 LEU A 23 -3.433 11.252 5.575 1.00 0.00 C ATOM 297 CD2 LEU A 23 -4.986 13.018 4.720 1.00 0.00 C ATOM 0 H LEU A 23 -6.725 9.698 7.594 1.00 0.00 H new ATOM 0 HA LEU A 23 -7.299 12.234 6.404 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.548 9.896 5.966 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.062 10.679 4.484 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.882 12.305 6.728 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.664 12.014 5.701 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.306 10.479 6.333 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.344 10.807 4.584 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.195 13.756 4.857 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.936 12.617 3.708 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.955 13.492 4.875 1.00 0.00 H new ATOM 308 N VAL A 24 -9.180 11.823 4.871 1.00 0.00 N ATOM 309 CA VAL A 24 -10.295 11.625 3.954 1.00 0.00 C ATOM 310 C VAL A 24 -9.801 11.292 2.551 1.00 0.00 C ATOM 311 O VAL A 24 -9.228 12.141 1.865 1.00 0.00 O ATOM 312 CB VAL A 24 -11.195 12.873 3.888 1.00 0.00 C ATOM 313 CG1 VAL A 24 -12.056 12.845 2.634 1.00 0.00 C ATOM 314 CG2 VAL A 24 -12.059 12.975 5.135 1.00 0.00 C ATOM 0 H VAL A 24 -9.071 12.782 5.201 1.00 0.00 H new ATOM 0 HA VAL A 24 -10.876 10.787 4.339 1.00 0.00 H new ATOM 0 HB VAL A 24 -10.558 13.756 3.843 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -12.685 13.735 2.605 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -11.415 12.825 1.753 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -12.686 11.955 2.645 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -12.688 13.863 5.070 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -12.689 12.089 5.215 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -11.420 13.046 6.015 1.00 0.00 H new ATOM 324 N LEU A 25 -10.026 10.053 2.128 1.00 0.00 N ATOM 325 CA LEU A 25 -9.604 9.608 0.805 1.00 0.00 C ATOM 326 C LEU A 25 -10.810 9.258 -0.062 1.00 0.00 C ATOM 327 O LEU A 25 -11.957 9.423 0.355 1.00 0.00 O ATOM 328 CB LEU A 25 -8.679 8.396 0.924 1.00 0.00 C ATOM 329 CG LEU A 25 -8.228 8.033 2.340 1.00 0.00 C ATOM 330 CD1 LEU A 25 -7.901 6.551 2.432 1.00 0.00 C ATOM 331 CD2 LEU A 25 -7.026 8.873 2.748 1.00 0.00 C ATOM 0 H LEU A 25 -10.498 9.339 2.682 1.00 0.00 H new ATOM 0 HA LEU A 25 -9.062 10.426 0.329 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -9.187 7.533 0.493 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -7.792 8.580 0.317 1.00 0.00 H new ATOM 0 HG LEU A 25 -9.046 8.247 3.028 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -7.582 6.311 3.446 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -8.787 5.967 2.182 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -7.099 6.311 1.733 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -6.718 8.602 3.758 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -6.203 8.691 2.057 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -7.294 9.929 2.722 1.00 0.00 H new ATOM 342 N CYS A 26 -10.543 8.771 -1.270 1.00 0.00 N ATOM 343 CA CYS A 26 -11.605 8.395 -2.195 1.00 0.00 C ATOM 344 C CYS A 26 -11.549 6.903 -2.510 1.00 0.00 C ATOM 345 O CYS A 26 -12.483 6.345 -3.086 1.00 0.00 O ATOM 346 CB CYS A 26 -11.493 9.207 -3.488 1.00 0.00 C ATOM 347 SG CYS A 26 -13.080 9.462 -4.344 1.00 0.00 S ATOM 0 H CYS A 26 -9.600 8.628 -1.631 1.00 0.00 H new ATOM 0 HA CYS A 26 -12.562 8.611 -1.720 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -11.056 10.179 -3.258 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -10.805 8.700 -4.164 1.00 0.00 H new ATOM 0 HG CYS A 26 -12.884 10.160 -5.423 1.00 0.00 H new ATOM 351 N SER A 27 -10.446 6.265 -2.130 1.00 0.00 N ATOM 352 CA SER A 27 -10.266 4.839 -2.375 1.00 0.00 C ATOM 353 C SER A 27 -9.065 4.303 -1.601 1.00 0.00 C ATOM 354 O SER A 27 -7.954 4.202 -2.122 1.00 0.00 O ATOM 355 CB SER A 27 -10.084 4.576 -3.871 1.00 0.00 C ATOM 356 OG SER A 27 -9.211 3.482 -4.093 1.00 0.00 O ATOM 0 H SER A 27 -9.664 6.713 -1.652 1.00 0.00 H new ATOM 0 HA SER A 27 -11.160 4.320 -2.029 1.00 0.00 H new ATOM 0 HB2 SER A 27 -11.052 4.372 -4.328 1.00 0.00 H new ATOM 0 HB3 SER A 27 -9.685 5.468 -4.355 1.00 0.00 H new ATOM 0 HG SER A 27 -8.303 3.726 -3.816 1.00 0.00 H new ATOM 361 N PRO A 28 -9.293 3.949 -0.328 1.00 0.00 N ATOM 362 CA PRO A 28 -8.243 3.415 0.545 1.00 0.00 C ATOM 363 C PRO A 28 -7.801 2.016 0.131 1.00 0.00 C ATOM 364 O PRO A 28 -8.076 1.570 -0.983 1.00 0.00 O ATOM 365 CB PRO A 28 -8.910 3.381 1.922 1.00 0.00 C ATOM 366 CG PRO A 28 -10.368 3.278 1.634 1.00 0.00 C ATOM 367 CD PRO A 28 -10.594 4.041 0.357 1.00 0.00 C ATOM 0 HA PRO A 28 -7.337 4.020 0.511 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -8.562 2.532 2.510 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -8.682 4.280 2.495 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -10.671 2.237 1.525 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -10.957 3.698 2.449 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -11.394 3.601 -0.238 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -10.874 5.076 0.551 1.00 0.00 H new ATOM 372 N LYS A 29 -7.115 1.326 1.036 1.00 0.00 N ATOM 373 CA LYS A 29 -6.635 -0.025 0.768 1.00 0.00 C ATOM 374 C LYS A 29 -7.320 -1.037 1.680 1.00 0.00 C ATOM 375 O LYS A 29 -6.659 -1.780 2.404 1.00 0.00 O ATOM 376 CB LYS A 29 -5.118 -0.097 0.957 1.00 0.00 C ATOM 377 CG LYS A 29 -4.357 0.956 0.171 1.00 0.00 C ATOM 378 CD LYS A 29 -4.614 0.833 -1.322 1.00 0.00 C ATOM 379 CE LYS A 29 -3.970 1.973 -2.094 1.00 0.00 C ATOM 380 NZ LYS A 29 -4.084 1.779 -3.567 1.00 0.00 N ATOM 0 H LYS A 29 -6.879 1.681 1.963 1.00 0.00 H new ATOM 0 HA LYS A 29 -6.878 -0.271 -0.266 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -4.887 0.014 2.016 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -4.769 -1.085 0.657 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -4.652 1.949 0.511 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -3.289 0.856 0.367 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -4.223 -0.118 -1.682 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -5.688 0.827 -1.508 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -4.443 2.914 -1.814 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -2.918 2.050 -1.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -3.633 2.577 -4.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -3.611 0.893 -3.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -5.088 1.731 -3.834 1.00 0.00 H new ATOM 390 N GLN A 30 -8.649 -1.060 1.639 1.00 0.00 N ATOM 391 CA GLN A 30 -9.422 -1.982 2.461 1.00 0.00 C ATOM 392 C GLN A 30 -8.679 -3.301 2.648 1.00 0.00 C ATOM 393 O GLN A 30 -8.256 -3.930 1.678 1.00 0.00 O ATOM 394 CB GLN A 30 -10.791 -2.240 1.828 1.00 0.00 C ATOM 395 CG GLN A 30 -11.942 -2.174 2.819 1.00 0.00 C ATOM 396 CD GLN A 30 -13.296 -2.296 2.148 1.00 0.00 C ATOM 397 OE1 GLN A 30 -13.421 -2.109 0.937 1.00 0.00 O ATOM 398 NE2 GLN A 30 -14.320 -2.610 2.933 1.00 0.00 N ATOM 0 H GLN A 30 -9.212 -0.451 1.045 1.00 0.00 H new ATOM 0 HA GLN A 30 -9.563 -1.524 3.440 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -10.960 -1.508 1.038 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -10.785 -3.223 1.356 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -11.831 -2.972 3.553 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -11.894 -1.231 3.364 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -14.171 -2.756 3.931 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -15.255 -2.705 2.538 1.00 0.00 H new ATOM 405 N THR A 31 -8.522 -3.715 3.902 1.00 0.00 N ATOM 406 CA THR A 31 -7.828 -4.957 4.216 1.00 0.00 C ATOM 407 C THR A 31 -8.777 -6.149 4.149 1.00 0.00 C ATOM 408 O THR A 31 -9.765 -6.126 3.416 1.00 0.00 O ATOM 409 CB THR A 31 -7.186 -4.904 5.615 1.00 0.00 C ATOM 410 OG1 THR A 31 -8.173 -5.171 6.618 1.00 0.00 O ATOM 411 CG2 THR A 31 -6.553 -3.544 5.868 1.00 0.00 C ATOM 0 H THR A 31 -8.867 -3.207 4.717 1.00 0.00 H new ATOM 0 HA THR A 31 -7.043 -5.078 3.469 1.00 0.00 H new ATOM 0 HB THR A 31 -6.407 -5.665 5.662 1.00 0.00 H new ATOM 0 HG1 THR A 31 -7.731 -5.326 7.479 1.00 0.00 H new ATOM 0 HG21 THR A 31 -6.106 -3.530 6.862 1.00 0.00 H new ATOM 0 HG22 THR A 31 -5.782 -3.357 5.121 1.00 0.00 H new ATOM 0 HG23 THR A 31 -7.317 -2.769 5.803 1.00 0.00 H new ATOM 419 N GLU A 32 -8.471 -7.187 4.920 1.00 0.00 N ATOM 420 CA GLU A 32 -9.298 -8.387 4.948 1.00 0.00 C ATOM 421 C GLU A 32 -10.231 -8.378 6.156 1.00 0.00 C ATOM 422 O GLU A 32 -10.829 -9.397 6.500 1.00 0.00 O ATOM 423 CB GLU A 32 -8.417 -9.639 4.980 1.00 0.00 C ATOM 424 CG GLU A 32 -8.769 -10.658 3.909 1.00 0.00 C ATOM 425 CD GLU A 32 -8.318 -12.061 4.267 1.00 0.00 C ATOM 426 OE1 GLU A 32 -8.241 -12.368 5.476 1.00 0.00 O ATOM 427 OE2 GLU A 32 -8.041 -12.851 3.341 1.00 0.00 O ATOM 0 H GLU A 32 -7.657 -7.221 5.533 1.00 0.00 H new ATOM 0 HA GLU A 32 -9.905 -8.400 4.043 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -7.375 -9.343 4.860 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -8.504 -10.109 5.960 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -9.848 -10.656 3.752 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -8.309 -10.362 2.966 1.00 0.00 H new ATOM 432 N CYS A 33 -10.349 -7.218 6.794 1.00 0.00 N ATOM 433 CA CYS A 33 -11.208 -7.074 7.963 1.00 0.00 C ATOM 434 C CYS A 33 -12.394 -6.163 7.658 1.00 0.00 C ATOM 435 O CYS A 33 -13.482 -6.340 8.203 1.00 0.00 O ATOM 436 CB CYS A 33 -10.410 -6.513 9.143 1.00 0.00 C ATOM 437 SG CYS A 33 -10.043 -4.734 9.012 1.00 0.00 S ATOM 0 H CYS A 33 -9.861 -6.365 6.521 1.00 0.00 H new ATOM 0 HA CYS A 33 -11.589 -8.061 8.227 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -10.967 -6.692 10.063 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -9.472 -7.062 9.227 1.00 0.00 H new ATOM 0 HG CYS A 33 -9.392 -4.505 7.910 1.00 0.00 H new ATOM 441 N GLY A 34 -12.173 -5.187 6.783 1.00 0.00 N ATOM 442 CA GLY A 34 -13.231 -4.263 6.420 1.00 0.00 C ATOM 443 C GLY A 34 -12.795 -2.815 6.513 1.00 0.00 C ATOM 444 O GLY A 34 -13.101 -2.008 5.635 1.00 0.00 O ATOM 0 H GLY A 34 -11.280 -5.020 6.319 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -13.561 -4.475 5.403 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -14.089 -4.423 7.073 1.00 0.00 H new ATOM 448 N HIS A 35 -12.078 -2.483 7.582 1.00 0.00 N ATOM 449 CA HIS A 35 -11.598 -1.120 7.788 1.00 0.00 C ATOM 450 C HIS A 35 -10.869 -0.608 6.548 1.00 0.00 C ATOM 451 O HIS A 35 -10.815 -1.287 5.523 1.00 0.00 O ATOM 452 CB HIS A 35 -10.668 -1.062 9.000 1.00 0.00 C ATOM 453 CG HIS A 35 -11.379 -1.240 10.307 1.00 0.00 C ATOM 454 ND1 HIS A 35 -11.457 -2.449 10.963 1.00 0.00 N ATOM 455 CD2 HIS A 35 -12.044 -0.350 11.082 1.00 0.00 C ATOM 456 CE1 HIS A 35 -12.142 -2.298 12.084 1.00 0.00 C ATOM 457 NE2 HIS A 35 -12.508 -1.032 12.179 1.00 0.00 N ATOM 0 H HIS A 35 -11.816 -3.138 8.319 1.00 0.00 H new ATOM 0 HA HIS A 35 -12.462 -0.481 7.971 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -9.906 -1.836 8.901 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -10.150 -0.103 9.005 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -11.050 -3.325 10.635 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -12.183 0.701 10.875 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -12.364 -3.076 12.799 1.00 0.00 H new ATOM 464 N ARG A 36 -10.310 0.593 6.651 1.00 0.00 N ATOM 465 CA ARG A 36 -9.586 1.197 5.539 1.00 0.00 C ATOM 466 C ARG A 36 -8.415 2.034 6.043 1.00 0.00 C ATOM 467 O ARG A 36 -8.407 2.483 7.189 1.00 0.00 O ATOM 468 CB ARG A 36 -10.528 2.068 4.703 1.00 0.00 C ATOM 469 CG ARG A 36 -11.711 1.307 4.128 1.00 0.00 C ATOM 470 CD ARG A 36 -12.916 2.214 3.936 1.00 0.00 C ATOM 471 NE ARG A 36 -14.134 1.456 3.662 1.00 0.00 N ATOM 472 CZ ARG A 36 -14.353 0.803 2.527 1.00 0.00 C ATOM 473 NH1 ARG A 36 -13.441 0.815 1.564 1.00 0.00 N ATOM 474 NH2 ARG A 36 -15.487 0.135 2.352 1.00 0.00 N ATOM 0 H ARG A 36 -10.345 1.167 7.493 1.00 0.00 H new ATOM 0 HA ARG A 36 -9.194 0.394 4.915 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -10.899 2.885 5.322 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -9.964 2.518 3.886 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -11.431 0.865 3.172 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -11.975 0.485 4.794 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -13.060 2.820 4.831 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -12.724 2.902 3.113 1.00 0.00 H new ATOM 0 HE ARG A 36 -14.856 1.427 4.382 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -12.568 1.327 1.694 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -13.612 0.312 0.693 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -16.191 0.123 3.090 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -15.654 -0.366 1.480 1.00 0.00 H new ATOM 485 N PHE A 37 -7.427 2.239 5.179 1.00 0.00 N ATOM 486 CA PHE A 37 -6.249 3.021 5.536 1.00 0.00 C ATOM 487 C PHE A 37 -5.681 3.740 4.315 1.00 0.00 C ATOM 488 O PHE A 37 -6.020 3.415 3.177 1.00 0.00 O ATOM 489 CB PHE A 37 -5.179 2.118 6.153 1.00 0.00 C ATOM 490 CG PHE A 37 -5.478 1.717 7.570 1.00 0.00 C ATOM 491 CD1 PHE A 37 -6.310 0.643 7.839 1.00 0.00 C ATOM 492 CD2 PHE A 37 -4.926 2.415 8.632 1.00 0.00 C ATOM 493 CE1 PHE A 37 -6.586 0.270 9.141 1.00 0.00 C ATOM 494 CE2 PHE A 37 -5.198 2.047 9.936 1.00 0.00 C ATOM 495 CZ PHE A 37 -6.031 0.975 10.191 1.00 0.00 C ATOM 0 H PHE A 37 -7.418 1.875 4.226 1.00 0.00 H new ATOM 0 HA PHE A 37 -6.550 3.770 6.269 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -5.077 1.220 5.543 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -4.219 2.634 6.124 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -6.749 0.090 7.021 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -4.276 3.256 8.439 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -7.234 -0.571 9.337 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -4.759 2.597 10.755 1.00 0.00 H new ATOM 0 HZ PHE A 37 -6.248 0.689 11.210 1.00 0.00 H new ATOM 504 N CYS A 38 -4.817 4.719 4.561 1.00 0.00 N ATOM 505 CA CYS A 38 -4.202 5.485 3.484 1.00 0.00 C ATOM 506 C CYS A 38 -2.917 4.816 3.005 1.00 0.00 C ATOM 507 O CYS A 38 -2.413 3.891 3.641 1.00 0.00 O ATOM 508 CB CYS A 38 -3.904 6.911 3.950 1.00 0.00 C ATOM 509 SG CYS A 38 -2.556 7.029 5.170 1.00 0.00 S ATOM 0 H CYS A 38 -4.527 5.001 5.497 1.00 0.00 H new ATOM 0 HA CYS A 38 -4.904 5.521 2.651 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -3.648 7.519 3.082 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -4.809 7.337 4.383 1.00 0.00 H new ATOM 0 HG CYS A 38 -2.900 7.848 6.119 1.00 0.00 H new ATOM 513 N GLU A 39 -2.393 5.291 1.880 1.00 0.00 N ATOM 514 CA GLU A 39 -1.167 4.738 1.316 1.00 0.00 C ATOM 515 C GLU A 39 -0.076 4.638 2.378 1.00 0.00 C ATOM 516 O GLU A 39 0.410 3.548 2.683 1.00 0.00 O ATOM 517 CB GLU A 39 -0.681 5.602 0.151 1.00 0.00 C ATOM 518 CG GLU A 39 -1.070 5.058 -1.215 1.00 0.00 C ATOM 519 CD GLU A 39 -0.174 5.572 -2.325 1.00 0.00 C ATOM 520 OE1 GLU A 39 -0.042 6.807 -2.457 1.00 0.00 O ATOM 521 OE2 GLU A 39 0.395 4.739 -3.061 1.00 0.00 O ATOM 0 H GLU A 39 -2.798 6.057 1.341 1.00 0.00 H new ATOM 0 HA GLU A 39 -1.386 3.735 0.949 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -1.087 6.607 0.261 1.00 0.00 H new ATOM 0 HB3 GLU A 39 0.404 5.689 0.202 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -1.027 3.969 -1.194 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -2.103 5.332 -1.430 1.00 0.00 H new ATOM 526 N SER A 40 0.303 5.782 2.938 1.00 0.00 N ATOM 527 CA SER A 40 1.339 5.824 3.964 1.00 0.00 C ATOM 528 C SER A 40 1.073 4.784 5.048 1.00 0.00 C ATOM 529 O SER A 40 1.642 3.691 5.029 1.00 0.00 O ATOM 530 CB SER A 40 1.412 7.219 4.587 1.00 0.00 C ATOM 531 OG SER A 40 1.814 7.150 5.945 1.00 0.00 O ATOM 0 H SER A 40 -0.091 6.692 2.699 1.00 0.00 H new ATOM 0 HA SER A 40 2.294 5.594 3.491 1.00 0.00 H new ATOM 0 HB2 SER A 40 2.116 7.835 4.027 1.00 0.00 H new ATOM 0 HB3 SER A 40 0.438 7.704 4.517 1.00 0.00 H new ATOM 0 HG SER A 40 1.855 8.054 6.320 1.00 0.00 H new ATOM 536 N CYS A 41 0.206 5.131 5.992 1.00 0.00 N ATOM 537 CA CYS A 41 -0.137 4.229 7.086 1.00 0.00 C ATOM 538 C CYS A 41 -0.125 2.776 6.617 1.00 0.00 C ATOM 539 O CYS A 41 0.511 1.921 7.233 1.00 0.00 O ATOM 540 CB CYS A 41 -1.514 4.582 7.653 1.00 0.00 C ATOM 541 SG CYS A 41 -1.582 6.199 8.488 1.00 0.00 S ATOM 0 H CYS A 41 -0.273 6.031 6.022 1.00 0.00 H new ATOM 0 HA CYS A 41 0.612 4.346 7.869 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -2.242 4.573 6.842 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -1.814 3.808 8.359 1.00 0.00 H new ATOM 0 HG CYS A 41 -1.908 7.118 7.628 1.00 0.00 H new ATOM 545 N MET A 42 -0.830 2.507 5.524 1.00 0.00 N ATOM 546 CA MET A 42 -0.898 1.159 4.972 1.00 0.00 C ATOM 547 C MET A 42 0.497 0.564 4.818 1.00 0.00 C ATOM 548 O MET A 42 0.757 -0.555 5.261 1.00 0.00 O ATOM 549 CB MET A 42 -1.611 1.175 3.619 1.00 0.00 C ATOM 550 CG MET A 42 -1.528 -0.147 2.873 1.00 0.00 C ATOM 551 SD MET A 42 -2.948 -1.213 3.185 1.00 0.00 S ATOM 552 CE MET A 42 -3.201 -0.936 4.937 1.00 0.00 C ATOM 0 H MET A 42 -1.362 3.204 5.003 1.00 0.00 H new ATOM 0 HA MET A 42 -1.464 0.537 5.665 1.00 0.00 H new ATOM 0 HB2 MET A 42 -2.659 1.431 3.773 1.00 0.00 H new ATOM 0 HB3 MET A 42 -1.179 1.961 2.999 1.00 0.00 H new ATOM 0 HG2 MET A 42 -1.454 0.048 1.803 1.00 0.00 H new ATOM 0 HG3 MET A 42 -0.617 -0.668 3.166 1.00 0.00 H new ATOM 0 HE1 MET A 42 -4.049 -1.529 5.280 1.00 0.00 H new ATOM 0 HE2 MET A 42 -2.306 -1.231 5.485 1.00 0.00 H new ATOM 0 HE3 MET A 42 -3.402 0.121 5.113 1.00 0.00 H new ATOM 560 N ALA A 43 1.391 1.316 4.186 1.00 0.00 N ATOM 561 CA ALA A 43 2.760 0.863 3.975 1.00 0.00 C ATOM 562 C ALA A 43 3.503 0.726 5.299 1.00 0.00 C ATOM 563 O ALA A 43 4.469 -0.028 5.405 1.00 0.00 O ATOM 564 CB ALA A 43 3.497 1.822 3.052 1.00 0.00 C ATOM 0 H ALA A 43 1.192 2.243 3.811 1.00 0.00 H new ATOM 0 HA ALA A 43 2.723 -0.120 3.505 1.00 0.00 H new ATOM 0 HB1 ALA A 43 4.518 1.471 2.903 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.985 1.867 2.091 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.516 2.816 3.500 1.00 0.00 H new ATOM 570 N ALA A 44 3.046 1.460 6.308 1.00 0.00 N ATOM 571 CA ALA A 44 3.666 1.418 7.627 1.00 0.00 C ATOM 572 C ALA A 44 3.330 0.120 8.351 1.00 0.00 C ATOM 573 O ALA A 44 4.220 -0.591 8.820 1.00 0.00 O ATOM 574 CB ALA A 44 3.226 2.617 8.455 1.00 0.00 C ATOM 0 H ALA A 44 2.248 2.091 6.237 1.00 0.00 H new ATOM 0 HA ALA A 44 4.747 1.459 7.495 1.00 0.00 H new ATOM 0 HB1 ALA A 44 3.696 2.573 9.437 1.00 0.00 H new ATOM 0 HB2 ALA A 44 3.524 3.536 7.951 1.00 0.00 H new ATOM 0 HB3 ALA A 44 2.142 2.601 8.571 1.00 0.00 H new ATOM 580 N LEU A 45 2.040 -0.185 8.440 1.00 0.00 N ATOM 581 CA LEU A 45 1.585 -1.400 9.109 1.00 0.00 C ATOM 582 C LEU A 45 2.187 -2.639 8.456 1.00 0.00 C ATOM 583 O LEU A 45 2.793 -3.476 9.127 1.00 0.00 O ATOM 584 CB LEU A 45 0.058 -1.482 9.076 1.00 0.00 C ATOM 585 CG LEU A 45 -0.691 -0.327 9.741 1.00 0.00 C ATOM 586 CD1 LEU A 45 -2.185 -0.438 9.479 1.00 0.00 C ATOM 587 CD2 LEU A 45 -0.410 -0.298 11.236 1.00 0.00 C ATOM 0 H LEU A 45 1.291 0.392 8.058 1.00 0.00 H new ATOM 0 HA LEU A 45 1.918 -1.361 10.146 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.260 -1.543 8.035 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.246 -2.411 9.558 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.336 0.608 9.307 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.701 0.393 9.960 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.369 -0.407 8.405 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.556 -1.379 9.884 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.952 0.531 11.692 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.736 -1.236 11.686 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.659 -0.168 11.403 1.00 0.00 H new ATOM 598 N LEU A 46 2.019 -2.750 7.143 1.00 0.00 N ATOM 599 CA LEU A 46 2.548 -3.886 6.397 1.00 0.00 C ATOM 600 C LEU A 46 4.021 -4.113 6.722 1.00 0.00 C ATOM 601 O LEU A 46 4.512 -5.241 6.674 1.00 0.00 O ATOM 602 CB LEU A 46 2.375 -3.661 4.894 1.00 0.00 C ATOM 603 CG LEU A 46 0.942 -3.435 4.410 1.00 0.00 C ATOM 604 CD1 LEU A 46 0.938 -2.855 3.004 1.00 0.00 C ATOM 605 CD2 LEU A 46 0.153 -4.735 4.455 1.00 0.00 C ATOM 0 H LEU A 46 1.520 -2.067 6.573 1.00 0.00 H new ATOM 0 HA LEU A 46 1.989 -4.774 6.692 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.975 -2.799 4.604 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.783 -4.524 4.368 1.00 0.00 H new ATOM 0 HG LEU A 46 0.462 -2.719 5.077 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -0.090 -2.701 2.677 1.00 0.00 H new ATOM 0 HD12 LEU A 46 1.466 -1.901 3.002 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.436 -3.546 2.324 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -0.864 -4.555 4.107 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.631 -5.473 3.812 1.00 0.00 H new ATOM 0 HD23 LEU A 46 0.126 -5.109 5.479 1.00 0.00 H new ATOM 616 N SER A 47 4.722 -3.033 7.055 1.00 0.00 N ATOM 617 CA SER A 47 6.139 -3.114 7.386 1.00 0.00 C ATOM 618 C SER A 47 6.337 -3.279 8.890 1.00 0.00 C ATOM 619 O SER A 47 7.340 -2.836 9.448 1.00 0.00 O ATOM 620 CB SER A 47 6.870 -1.861 6.899 1.00 0.00 C ATOM 621 OG SER A 47 7.949 -2.201 6.045 1.00 0.00 O ATOM 0 H SER A 47 4.331 -2.092 7.102 1.00 0.00 H new ATOM 0 HA SER A 47 6.555 -3.988 6.884 1.00 0.00 H new ATOM 0 HB2 SER A 47 6.173 -1.212 6.369 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.242 -1.298 7.754 1.00 0.00 H new ATOM 0 HG SER A 47 8.399 -1.384 5.746 1.00 0.00 H new ATOM 626 N SER A 48 5.371 -3.920 9.541 1.00 0.00 N ATOM 627 CA SER A 48 5.436 -4.142 10.980 1.00 0.00 C ATOM 628 C SER A 48 5.606 -5.625 11.295 1.00 0.00 C ATOM 629 O SER A 48 5.401 -6.058 12.429 1.00 0.00 O ATOM 630 CB SER A 48 4.171 -3.609 11.657 1.00 0.00 C ATOM 631 OG SER A 48 4.284 -3.670 13.068 1.00 0.00 O ATOM 0 H SER A 48 4.534 -4.295 9.094 1.00 0.00 H new ATOM 0 HA SER A 48 6.302 -3.604 11.366 1.00 0.00 H new ATOM 0 HB2 SER A 48 3.995 -2.579 11.347 1.00 0.00 H new ATOM 0 HB3 SER A 48 3.308 -4.191 11.333 1.00 0.00 H new ATOM 0 HG SER A 48 4.587 -4.563 13.334 1.00 0.00 H new ATOM 636 N SER A 49 5.984 -6.398 10.281 1.00 0.00 N ATOM 637 CA SER A 49 6.180 -7.834 10.447 1.00 0.00 C ATOM 638 C SER A 49 4.840 -8.558 10.533 1.00 0.00 C ATOM 639 O SER A 49 4.547 -9.441 9.727 1.00 0.00 O ATOM 640 CB SER A 49 7.006 -8.116 11.704 1.00 0.00 C ATOM 641 OG SER A 49 7.637 -9.383 11.626 1.00 0.00 O ATOM 0 H SER A 49 6.160 -6.054 9.337 1.00 0.00 H new ATOM 0 HA SER A 49 6.719 -8.205 9.576 1.00 0.00 H new ATOM 0 HB2 SER A 49 7.759 -7.338 11.830 1.00 0.00 H new ATOM 0 HB3 SER A 49 6.361 -8.081 12.582 1.00 0.00 H new ATOM 0 HG SER A 49 8.160 -9.539 12.440 1.00 0.00 H new ATOM 646 N SER A 50 4.031 -8.179 11.517 1.00 0.00 N ATOM 647 CA SER A 50 2.724 -8.794 11.711 1.00 0.00 C ATOM 648 C SER A 50 1.614 -7.751 11.625 1.00 0.00 C ATOM 649 O SER A 50 0.982 -7.395 12.620 1.00 0.00 O ATOM 650 CB SER A 50 2.666 -9.505 13.065 1.00 0.00 C ATOM 651 OG SER A 50 3.466 -10.675 13.061 1.00 0.00 O ATOM 0 H SER A 50 4.258 -7.449 12.192 1.00 0.00 H new ATOM 0 HA SER A 50 2.574 -9.526 10.917 1.00 0.00 H new ATOM 0 HB2 SER A 50 3.008 -8.829 13.849 1.00 0.00 H new ATOM 0 HB3 SER A 50 1.634 -9.767 13.298 1.00 0.00 H new ATOM 0 HG SER A 50 3.414 -11.110 13.938 1.00 0.00 H new ATOM 656 N PRO A 51 1.369 -7.248 10.407 1.00 0.00 N ATOM 657 CA PRO A 51 0.335 -6.238 10.160 1.00 0.00 C ATOM 658 C PRO A 51 -1.073 -6.801 10.317 1.00 0.00 C ATOM 659 O PRO A 51 -1.439 -7.778 9.665 1.00 0.00 O ATOM 660 CB PRO A 51 0.586 -5.822 8.708 1.00 0.00 C ATOM 661 CG PRO A 51 1.257 -6.998 8.087 1.00 0.00 C ATOM 662 CD PRO A 51 2.083 -7.626 9.176 1.00 0.00 C ATOM 0 HA PRO A 51 0.392 -5.413 10.870 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -0.347 -5.584 8.198 1.00 0.00 H new ATOM 0 HB3 PRO A 51 1.215 -4.933 8.654 1.00 0.00 H new ATOM 0 HG2 PRO A 51 0.524 -7.704 7.696 1.00 0.00 H new ATOM 0 HG3 PRO A 51 1.883 -6.692 7.249 1.00 0.00 H new ATOM 0 HD2 PRO A 51 2.142 -8.708 9.062 1.00 0.00 H new ATOM 0 HD3 PRO A 51 3.106 -7.249 9.173 1.00 0.00 H new ATOM 667 N LYS A 52 -1.861 -6.175 11.187 1.00 0.00 N ATOM 668 CA LYS A 52 -3.230 -6.612 11.429 1.00 0.00 C ATOM 669 C LYS A 52 -4.228 -5.548 10.983 1.00 0.00 C ATOM 670 O LYS A 52 -4.935 -5.723 9.990 1.00 0.00 O ATOM 671 CB LYS A 52 -3.433 -6.925 12.913 1.00 0.00 C ATOM 672 CG LYS A 52 -2.253 -7.639 13.551 1.00 0.00 C ATOM 673 CD LYS A 52 -2.175 -7.365 15.044 1.00 0.00 C ATOM 674 CE LYS A 52 -0.763 -7.560 15.574 1.00 0.00 C ATOM 675 NZ LYS A 52 -0.755 -7.867 17.031 1.00 0.00 N ATOM 0 H LYS A 52 -1.574 -5.364 11.735 1.00 0.00 H new ATOM 0 HA LYS A 52 -3.404 -7.516 10.846 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -3.618 -5.995 13.450 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -4.325 -7.541 13.027 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -2.341 -8.712 13.381 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -1.329 -7.315 13.072 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -2.503 -6.345 15.245 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -2.858 -8.029 15.573 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -0.279 -8.371 15.029 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -0.178 -6.659 15.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 0.226 -7.993 17.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -1.193 -7.082 17.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -1.292 -8.741 17.205 1.00 0.00 H new ATOM 685 N CYS A 53 -4.280 -4.444 11.722 1.00 0.00 N ATOM 686 CA CYS A 53 -5.189 -3.351 11.402 1.00 0.00 C ATOM 687 C CYS A 53 -5.427 -2.467 12.623 1.00 0.00 C ATOM 688 O CYS A 53 -6.241 -2.789 13.488 1.00 0.00 O ATOM 689 CB CYS A 53 -6.521 -3.901 10.890 1.00 0.00 C ATOM 690 SG CYS A 53 -7.918 -2.744 11.058 1.00 0.00 S ATOM 0 H CYS A 53 -3.702 -4.284 12.547 1.00 0.00 H new ATOM 0 HA CYS A 53 -4.729 -2.746 10.621 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -6.411 -4.170 9.840 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -6.755 -4.818 11.431 1.00 0.00 H new ATOM 0 HG CYS A 53 -8.936 -3.193 10.386 1.00 0.00 H new ATOM 694 N THR A 54 -4.710 -1.349 12.686 1.00 0.00 N ATOM 695 CA THR A 54 -4.842 -0.418 13.801 1.00 0.00 C ATOM 696 C THR A 54 -6.274 -0.384 14.322 1.00 0.00 C ATOM 697 O THR A 54 -6.503 -0.298 15.528 1.00 0.00 O ATOM 698 CB THR A 54 -4.423 1.007 13.394 1.00 0.00 C ATOM 699 OG1 THR A 54 -3.252 1.399 14.121 1.00 0.00 O ATOM 700 CG2 THR A 54 -5.545 1.998 13.660 1.00 0.00 C ATOM 0 H THR A 54 -4.032 -1.066 11.978 1.00 0.00 H new ATOM 0 HA THR A 54 -4.179 -0.773 14.590 1.00 0.00 H new ATOM 0 HB THR A 54 -4.205 1.007 12.326 1.00 0.00 H new ATOM 0 HG1 THR A 54 -3.487 2.096 14.768 1.00 0.00 H new ATOM 0 HG21 THR A 54 -5.225 2.997 13.365 1.00 0.00 H new ATOM 0 HG22 THR A 54 -6.426 1.714 13.084 1.00 0.00 H new ATOM 0 HG23 THR A 54 -5.789 1.994 14.722 1.00 0.00 H new ATOM 708 N ALA A 55 -7.234 -0.455 13.406 1.00 0.00 N ATOM 709 CA ALA A 55 -8.644 -0.436 13.775 1.00 0.00 C ATOM 710 C ALA A 55 -8.966 -1.543 14.773 1.00 0.00 C ATOM 711 O ALA A 55 -9.127 -1.289 15.968 1.00 0.00 O ATOM 712 CB ALA A 55 -9.516 -0.570 12.535 1.00 0.00 C ATOM 0 H ALA A 55 -7.061 -0.526 12.403 1.00 0.00 H new ATOM 0 HA ALA A 55 -8.856 0.520 14.253 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -10.566 -0.554 12.825 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -9.315 0.259 11.857 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -9.292 -1.511 12.033 1.00 0.00 H new ATOM 718 N CYS A 56 -9.059 -2.772 14.276 1.00 0.00 N ATOM 719 CA CYS A 56 -9.364 -3.918 15.124 1.00 0.00 C ATOM 720 C CYS A 56 -8.167 -4.860 15.215 1.00 0.00 C ATOM 721 O CYS A 56 -7.994 -5.565 16.208 1.00 0.00 O ATOM 722 CB CYS A 56 -10.579 -4.672 14.581 1.00 0.00 C ATOM 723 SG CYS A 56 -10.383 -5.263 12.868 1.00 0.00 S ATOM 0 H CYS A 56 -8.928 -3.000 13.290 1.00 0.00 H new ATOM 0 HA CYS A 56 -9.591 -3.548 16.124 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -10.782 -5.526 15.228 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -11.451 -4.019 14.631 1.00 0.00 H new ATOM 0 HG CYS A 56 -9.548 -4.493 12.236 1.00 0.00 H new ATOM 727 N GLN A 57 -7.343 -4.864 14.172 1.00 0.00 N ATOM 728 CA GLN A 57 -6.162 -5.718 14.134 1.00 0.00 C ATOM 729 C GLN A 57 -6.523 -7.125 13.668 1.00 0.00 C ATOM 730 O GLN A 57 -6.863 -7.988 14.475 1.00 0.00 O ATOM 731 CB GLN A 57 -5.507 -5.779 15.515 1.00 0.00 C ATOM 732 CG GLN A 57 -5.556 -4.461 16.270 1.00 0.00 C ATOM 733 CD GLN A 57 -4.178 -3.902 16.560 1.00 0.00 C ATOM 734 OE1 GLN A 57 -3.620 -4.121 17.635 1.00 0.00 O ATOM 735 NE2 GLN A 57 -3.620 -3.175 15.599 1.00 0.00 N ATOM 0 H GLN A 57 -7.472 -4.285 13.342 1.00 0.00 H new ATOM 0 HA GLN A 57 -5.456 -5.289 13.423 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -6.002 -6.547 16.109 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -4.467 -6.085 15.402 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -6.123 -3.735 15.688 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -6.090 -4.605 17.209 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -4.119 -3.019 14.723 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -2.693 -2.773 15.737 1.00 0.00 H new ATOM 742 N GLU A 58 -6.447 -7.347 12.359 1.00 0.00 N ATOM 743 CA GLU A 58 -6.766 -8.648 11.786 1.00 0.00 C ATOM 744 C GLU A 58 -5.646 -9.129 10.867 1.00 0.00 C ATOM 745 O GLU A 58 -4.963 -10.110 11.165 1.00 0.00 O ATOM 746 CB GLU A 58 -8.082 -8.579 11.008 1.00 0.00 C ATOM 747 CG GLU A 58 -9.194 -9.419 11.615 1.00 0.00 C ATOM 748 CD GLU A 58 -9.400 -10.730 10.883 1.00 0.00 C ATOM 749 OE1 GLU A 58 -8.436 -11.519 10.798 1.00 0.00 O ATOM 750 OE2 GLU A 58 -10.525 -10.967 10.394 1.00 0.00 O ATOM 0 H GLU A 58 -6.167 -6.642 11.677 1.00 0.00 H new ATOM 0 HA GLU A 58 -6.872 -9.359 12.605 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -8.410 -7.541 10.956 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -7.907 -8.909 9.984 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -8.961 -9.623 12.660 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -10.123 -8.850 11.601 1.00 0.00 H new ATOM 755 N SER A 59 -5.463 -8.432 9.751 1.00 0.00 N ATOM 756 CA SER A 59 -4.429 -8.789 8.787 1.00 0.00 C ATOM 757 C SER A 59 -4.402 -7.798 7.628 1.00 0.00 C ATOM 758 O SER A 59 -5.405 -7.602 6.941 1.00 0.00 O ATOM 759 CB SER A 59 -4.664 -10.205 8.257 1.00 0.00 C ATOM 760 OG SER A 59 -3.533 -11.028 8.486 1.00 0.00 O ATOM 0 H SER A 59 -6.018 -7.616 9.492 1.00 0.00 H new ATOM 0 HA SER A 59 -3.465 -8.754 9.295 1.00 0.00 H new ATOM 0 HB2 SER A 59 -5.538 -10.639 8.743 1.00 0.00 H new ATOM 0 HB3 SER A 59 -4.880 -10.166 7.189 1.00 0.00 H new ATOM 0 HG SER A 59 -3.708 -11.928 8.140 1.00 0.00 H new ATOM 765 N ILE A 60 -3.246 -7.177 7.416 1.00 0.00 N ATOM 766 CA ILE A 60 -3.087 -6.208 6.339 1.00 0.00 C ATOM 767 C ILE A 60 -2.051 -6.678 5.324 1.00 0.00 C ATOM 768 O ILE A 60 -0.873 -6.828 5.647 1.00 0.00 O ATOM 769 CB ILE A 60 -2.669 -4.828 6.882 1.00 0.00 C ATOM 770 CG1 ILE A 60 -3.181 -4.640 8.311 1.00 0.00 C ATOM 771 CG2 ILE A 60 -3.190 -3.722 5.976 1.00 0.00 C ATOM 772 CD1 ILE A 60 -2.591 -3.438 9.012 1.00 0.00 C ATOM 0 H ILE A 60 -2.407 -7.328 7.976 1.00 0.00 H new ATOM 0 HA ILE A 60 -4.056 -6.119 5.849 1.00 0.00 H new ATOM 0 HB ILE A 60 -1.580 -4.775 6.898 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -4.266 -4.541 8.289 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.954 -5.535 8.890 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -2.887 -2.753 6.373 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -2.779 -3.848 4.974 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -4.278 -3.771 5.931 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -3.000 -3.368 10.020 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -1.508 -3.544 9.066 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -2.840 -2.534 8.456 1.00 0.00 H new ATOM 783 N VAL A 61 -2.498 -6.908 4.093 1.00 0.00 N ATOM 784 CA VAL A 61 -1.609 -7.359 3.029 1.00 0.00 C ATOM 785 C VAL A 61 -1.971 -6.710 1.699 1.00 0.00 C ATOM 786 O VAL A 61 -3.138 -6.680 1.305 1.00 0.00 O ATOM 787 CB VAL A 61 -1.657 -8.891 2.870 1.00 0.00 C ATOM 788 CG1 VAL A 61 -0.908 -9.320 1.617 1.00 0.00 C ATOM 789 CG2 VAL A 61 -1.084 -9.572 4.103 1.00 0.00 C ATOM 0 H VAL A 61 -3.470 -6.789 3.808 1.00 0.00 H new ATOM 0 HA VAL A 61 -0.599 -7.061 3.312 1.00 0.00 H new ATOM 0 HB VAL A 61 -2.698 -9.197 2.765 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -0.952 -10.405 1.520 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -1.367 -8.859 0.743 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.133 -9.004 1.689 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -1.126 -10.654 3.974 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -0.048 -9.263 4.241 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.667 -9.289 4.979 1.00 0.00 H new ATOM 799 N LYS A 62 -0.964 -6.189 1.007 1.00 0.00 N ATOM 800 CA LYS A 62 -1.174 -5.539 -0.281 1.00 0.00 C ATOM 801 C LYS A 62 -1.897 -6.471 -1.249 1.00 0.00 C ATOM 802 O LYS A 62 -2.744 -6.036 -2.029 1.00 0.00 O ATOM 803 CB LYS A 62 0.165 -5.104 -0.881 1.00 0.00 C ATOM 804 CG LYS A 62 1.222 -6.195 -0.866 1.00 0.00 C ATOM 805 CD LYS A 62 2.496 -5.747 -1.561 1.00 0.00 C ATOM 806 CE LYS A 62 3.725 -6.396 -0.945 1.00 0.00 C ATOM 807 NZ LYS A 62 4.820 -6.567 -1.940 1.00 0.00 N ATOM 0 H LYS A 62 0.008 -6.204 1.317 1.00 0.00 H new ATOM 0 HA LYS A 62 -1.795 -4.658 -0.118 1.00 0.00 H new ATOM 0 HB2 LYS A 62 0.004 -4.780 -1.909 1.00 0.00 H new ATOM 0 HB3 LYS A 62 0.538 -4.241 -0.329 1.00 0.00 H new ATOM 0 HG2 LYS A 62 1.446 -6.471 0.164 1.00 0.00 H new ATOM 0 HG3 LYS A 62 0.833 -7.087 -1.357 1.00 0.00 H new ATOM 0 HD2 LYS A 62 2.442 -6.000 -2.620 1.00 0.00 H new ATOM 0 HD3 LYS A 62 2.585 -4.663 -1.496 1.00 0.00 H new ATOM 0 HE2 LYS A 62 4.081 -5.785 -0.115 1.00 0.00 H new ATOM 0 HE3 LYS A 62 3.454 -7.368 -0.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 5.640 -7.013 -1.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 4.489 -7.171 -2.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 5.096 -5.637 -2.315 1.00 0.00 H new ATOM 817 N ASP A 63 -1.558 -7.754 -1.191 1.00 0.00 N ATOM 818 CA ASP A 63 -2.177 -8.748 -2.060 1.00 0.00 C ATOM 819 C ASP A 63 -3.676 -8.846 -1.793 1.00 0.00 C ATOM 820 O ASP A 63 -4.484 -8.851 -2.721 1.00 0.00 O ATOM 821 CB ASP A 63 -1.520 -10.115 -1.857 1.00 0.00 C ATOM 822 CG ASP A 63 -1.585 -10.980 -3.101 1.00 0.00 C ATOM 823 OD1 ASP A 63 -2.622 -10.941 -3.796 1.00 0.00 O ATOM 824 OD2 ASP A 63 -0.599 -11.694 -3.378 1.00 0.00 O ATOM 0 H ASP A 63 -0.858 -8.130 -0.551 1.00 0.00 H new ATOM 0 HA ASP A 63 -2.030 -8.433 -3.093 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -0.478 -9.975 -1.570 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -2.011 -10.632 -1.033 1.00 0.00 H new ATOM 828 N LYS A 64 -4.041 -8.926 -0.517 1.00 0.00 N ATOM 829 CA LYS A 64 -5.441 -9.024 -0.126 1.00 0.00 C ATOM 830 C LYS A 64 -6.089 -7.643 -0.071 1.00 0.00 C ATOM 831 O LYS A 64 -7.299 -7.521 0.119 1.00 0.00 O ATOM 832 CB LYS A 64 -5.566 -9.712 1.235 1.00 0.00 C ATOM 833 CG LYS A 64 -4.549 -10.820 1.451 1.00 0.00 C ATOM 834 CD LYS A 64 -4.734 -11.948 0.450 1.00 0.00 C ATOM 835 CE LYS A 64 -4.397 -13.299 1.063 1.00 0.00 C ATOM 836 NZ LYS A 64 -5.398 -14.339 0.696 1.00 0.00 N ATOM 0 H LYS A 64 -3.385 -8.925 0.264 1.00 0.00 H new ATOM 0 HA LYS A 64 -5.960 -9.620 -0.876 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -5.451 -8.966 2.022 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -6.569 -10.127 1.333 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -3.542 -10.413 1.361 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -4.645 -11.211 2.464 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -5.765 -11.955 0.095 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -4.099 -11.773 -0.418 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -3.408 -13.613 0.729 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -4.352 -13.205 2.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -5.133 -15.245 1.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -6.338 -14.052 1.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -5.423 -14.447 -0.338 1.00 0.00 H new ATOM 846 N VAL A 65 -5.275 -6.606 -0.240 1.00 0.00 N ATOM 847 CA VAL A 65 -5.768 -5.235 -0.212 1.00 0.00 C ATOM 848 C VAL A 65 -6.256 -4.797 -1.589 1.00 0.00 C ATOM 849 O VAL A 65 -5.724 -5.228 -2.612 1.00 0.00 O ATOM 850 CB VAL A 65 -4.681 -4.257 0.270 1.00 0.00 C ATOM 851 CG1 VAL A 65 -4.540 -3.093 -0.701 1.00 0.00 C ATOM 852 CG2 VAL A 65 -4.997 -3.757 1.672 1.00 0.00 C ATOM 0 H VAL A 65 -4.271 -6.690 -0.398 1.00 0.00 H new ATOM 0 HA VAL A 65 -6.602 -5.214 0.489 1.00 0.00 H new ATOM 0 HB VAL A 65 -3.730 -4.788 0.304 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -3.767 -2.413 -0.343 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -4.263 -3.472 -1.685 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -5.488 -2.560 -0.771 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -4.218 -3.067 1.996 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -5.958 -3.243 1.667 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -5.041 -4.603 2.358 1.00 0.00 H new ATOM 862 N PHE A 66 -7.269 -3.939 -1.606 1.00 0.00 N ATOM 863 CA PHE A 66 -7.830 -3.443 -2.859 1.00 0.00 C ATOM 864 C PHE A 66 -8.325 -2.008 -2.702 1.00 0.00 C ATOM 865 O PHE A 66 -9.426 -1.801 -2.196 1.00 0.00 O ATOM 866 CB PHE A 66 -8.979 -4.343 -3.319 1.00 0.00 C ATOM 867 CG PHE A 66 -8.533 -5.495 -4.173 1.00 0.00 C ATOM 868 CD1 PHE A 66 -8.303 -5.322 -5.528 1.00 0.00 C ATOM 869 CD2 PHE A 66 -8.342 -6.751 -3.620 1.00 0.00 C ATOM 870 CE1 PHE A 66 -7.893 -6.381 -6.316 1.00 0.00 C ATOM 871 CE2 PHE A 66 -7.932 -7.814 -4.403 1.00 0.00 C ATOM 872 CZ PHE A 66 -7.706 -7.628 -5.752 1.00 0.00 C ATOM 0 H PHE A 66 -7.719 -3.572 -0.768 1.00 0.00 H new ATOM 0 HA PHE A 66 -7.042 -3.457 -3.612 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -9.499 -4.731 -2.443 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -9.698 -3.744 -3.878 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -8.446 -4.349 -5.974 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -8.515 -6.901 -2.565 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -7.719 -6.234 -7.372 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -7.789 -8.788 -3.960 1.00 0.00 H new ATOM 0 HZ PHE A 66 -7.383 -8.456 -6.366 1.00 0.00 H new