USER MOD reduce.3.24.130724 H: found=0, std=0, add=752, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 751 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 65 CYS SG : rot 60:sc= -3.13 USER MOD Set 1.2: A 70 THR OG1 : rot -111:sc= -0.745 USER MOD Set 1.3: A 106 MET CE :methyl -155:sc= -1.3 (180deg=-0.232) USER MOD Set 2.1: A 61 THR OG1 : rot 108:sc= 0.864 USER MOD Set 2.2: A 62 HIS : no HD1:sc= -4.34! C(o=-3.5!,f=-20!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= -0.81 K(o=-0.81,f=-3!) USER MOD Single : A 31 SER OG : rot -90:sc= -0.357 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 ASN : amide:sc= -0.121 K(o=-0.12,f=-0.79) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -141:sc= -0.432 (180deg=-2.63!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.453 USER MOD Single : A 60 SER OG : rot -60:sc= 0.209 USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 LYS NZ :NH3+ -123:sc= -0.632 (180deg=-0.669) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 36:sc= 0.269 USER MOD Single : A 75 GLN :FLIP amide:sc= -0.349 F(o=-1.1,f=-0.35) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 CYS SG : rot 89:sc= 0.0219 USER MOD Single : A 93 HIS : no HE2:sc= -4.09! C(o=-4.1!,f=-7.9!) USER MOD Single : A 95 MET CE :methyl -123:sc= -0.641 (180deg=-2.79!) USER MOD Single : A 101 SER OG : rot 180:sc= 0.0176 USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 104 TYR OH : rot 150:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 227 N GLU A 18 5.122 18.871 -0.817 1.00 0.00 N ATOM 228 CA GLU A 18 6.337 18.066 -0.780 1.00 0.00 C ATOM 229 C GLU A 18 6.003 16.577 -0.757 1.00 0.00 C ATOM 230 O GLU A 18 6.514 15.802 -1.566 1.00 0.00 O ATOM 231 CB GLU A 18 7.180 18.430 0.443 1.00 0.00 C ATOM 232 CG GLU A 18 8.605 17.905 0.379 1.00 0.00 C ATOM 233 CD GLU A 18 9.545 18.855 -0.337 1.00 0.00 C ATOM 234 OE1 GLU A 18 9.266 19.195 -1.507 1.00 0.00 O ATOM 235 OE2 GLU A 18 10.559 19.258 0.270 1.00 0.00 O ATOM 0 HA GLU A 18 6.910 18.278 -1.683 1.00 0.00 H new ATOM 0 HB2 GLU A 18 7.206 19.515 0.546 1.00 0.00 H new ATOM 0 HB3 GLU A 18 6.697 18.036 1.337 1.00 0.00 H new ATOM 0 HG2 GLU A 18 8.970 17.732 1.391 1.00 0.00 H new ATOM 0 HG3 GLU A 18 8.611 16.941 -0.131 1.00 0.00 H new ATOM 242 N LEU A 19 5.143 16.184 0.176 1.00 0.00 N ATOM 243 CA LEU A 19 4.741 14.788 0.307 1.00 0.00 C ATOM 244 C LEU A 19 4.086 14.288 -0.977 1.00 0.00 C ATOM 245 O LEU A 19 4.286 13.144 -1.383 1.00 0.00 O ATOM 246 CB LEU A 19 3.776 14.623 1.482 1.00 0.00 C ATOM 247 CG LEU A 19 4.418 14.487 2.863 1.00 0.00 C ATOM 248 CD1 LEU A 19 4.688 15.858 3.464 1.00 0.00 C ATOM 249 CD2 LEU A 19 3.530 13.664 3.785 1.00 0.00 C ATOM 0 H LEU A 19 4.711 16.812 0.853 1.00 0.00 H new ATOM 0 HA LEU A 19 5.636 14.194 0.493 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.105 15.482 1.498 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.161 13.741 1.301 1.00 0.00 H new ATOM 0 HG LEU A 19 5.370 13.969 2.750 1.00 0.00 H new ATOM 0 HD11 LEU A 19 5.145 15.741 4.447 1.00 0.00 H new ATOM 0 HD12 LEU A 19 5.363 16.414 2.814 1.00 0.00 H new ATOM 0 HD13 LEU A 19 3.749 16.403 3.563 1.00 0.00 H new ATOM 0 HD21 LEU A 19 4.003 13.577 4.763 1.00 0.00 H new ATOM 0 HD22 LEU A 19 2.562 14.154 3.891 1.00 0.00 H new ATOM 0 HD23 LEU A 19 3.388 12.670 3.361 1.00 0.00 H new ATOM 261 N GLY A 20 3.305 15.155 -1.614 1.00 0.00 N ATOM 262 CA GLY A 20 2.635 14.784 -2.847 1.00 0.00 C ATOM 263 C GLY A 20 3.608 14.381 -3.937 1.00 0.00 C ATOM 264 O GLY A 20 3.211 13.814 -4.955 1.00 0.00 O ATOM 0 H GLY A 20 3.124 16.108 -1.298 1.00 0.00 H new ATOM 0 HA2 GLY A 20 1.951 13.958 -2.651 1.00 0.00 H new ATOM 0 HA3 GLY A 20 2.031 15.622 -3.195 1.00 0.00 H new ATOM 268 N LYS A 21 4.886 14.675 -3.725 1.00 0.00 N ATOM 269 CA LYS A 21 5.920 14.340 -4.697 1.00 0.00 C ATOM 270 C LYS A 21 6.558 12.993 -4.372 1.00 0.00 C ATOM 271 O LYS A 21 7.449 12.530 -5.084 1.00 0.00 O ATOM 272 CB LYS A 21 6.993 15.431 -4.727 1.00 0.00 C ATOM 273 CG LYS A 21 6.436 16.826 -4.953 1.00 0.00 C ATOM 274 CD LYS A 21 7.450 17.726 -5.639 1.00 0.00 C ATOM 275 CE LYS A 21 8.395 18.368 -4.635 1.00 0.00 C ATOM 276 NZ LYS A 21 9.737 18.629 -5.225 1.00 0.00 N ATOM 0 H LYS A 21 5.231 15.145 -2.888 1.00 0.00 H new ATOM 0 HA LYS A 21 5.452 14.272 -5.679 1.00 0.00 H new ATOM 0 HB2 LYS A 21 7.541 15.416 -3.785 1.00 0.00 H new ATOM 0 HB3 LYS A 21 7.709 15.203 -5.516 1.00 0.00 H new ATOM 0 HG2 LYS A 21 5.533 16.764 -5.560 1.00 0.00 H new ATOM 0 HG3 LYS A 21 6.148 17.263 -3.997 1.00 0.00 H new ATOM 0 HD2 LYS A 21 8.024 17.145 -6.361 1.00 0.00 H new ATOM 0 HD3 LYS A 21 6.929 18.503 -6.198 1.00 0.00 H new ATOM 0 HE2 LYS A 21 7.966 19.305 -4.280 1.00 0.00 H new ATOM 0 HE3 LYS A 21 8.500 17.717 -3.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 10.352 19.067 -4.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 10.158 17.732 -5.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 9.640 19.271 -6.038 1.00 0.00 H new ATOM 290 N ILE A 22 6.095 12.370 -3.293 1.00 0.00 N ATOM 291 CA ILE A 22 6.619 11.076 -2.876 1.00 0.00 C ATOM 292 C ILE A 22 5.954 9.939 -3.645 1.00 0.00 C ATOM 293 O ILE A 22 6.624 9.150 -4.312 1.00 0.00 O ATOM 294 CB ILE A 22 6.417 10.846 -1.367 1.00 0.00 C ATOM 295 CG1 ILE A 22 7.157 11.917 -0.562 1.00 0.00 C ATOM 296 CG2 ILE A 22 6.894 9.456 -0.973 1.00 0.00 C ATOM 297 CD1 ILE A 22 7.352 11.553 0.893 1.00 0.00 C ATOM 0 H ILE A 22 5.359 12.741 -2.692 1.00 0.00 H new ATOM 0 HA ILE A 22 7.687 11.084 -3.095 1.00 0.00 H new ATOM 0 HB ILE A 22 5.353 10.920 -1.143 1.00 0.00 H new ATOM 0 HG12 ILE A 22 8.131 12.094 -1.018 1.00 0.00 H new ATOM 0 HG13 ILE A 22 6.602 12.853 -0.623 1.00 0.00 H new ATOM 0 HG21 ILE A 22 6.744 9.310 0.097 1.00 0.00 H new ATOM 0 HG22 ILE A 22 6.327 8.707 -1.525 1.00 0.00 H new ATOM 0 HG23 ILE A 22 7.953 9.355 -1.208 1.00 0.00 H new ATOM 0 HD11 ILE A 22 7.883 12.358 1.401 1.00 0.00 H new ATOM 0 HD12 ILE A 22 6.380 11.405 1.364 1.00 0.00 H new ATOM 0 HD13 ILE A 22 7.933 10.634 0.963 1.00 0.00 H new ATOM 309 N LEU A 23 4.631 9.863 -3.549 1.00 0.00 N ATOM 310 CA LEU A 23 3.873 8.824 -4.238 1.00 0.00 C ATOM 311 C LEU A 23 3.036 9.418 -5.366 1.00 0.00 C ATOM 312 O LEU A 23 1.874 9.054 -5.546 1.00 0.00 O ATOM 313 CB LEU A 23 2.968 8.086 -3.250 1.00 0.00 C ATOM 314 CG LEU A 23 3.678 7.294 -2.151 1.00 0.00 C ATOM 315 CD1 LEU A 23 2.675 6.488 -1.340 1.00 0.00 C ATOM 316 CD2 LEU A 23 4.737 6.381 -2.752 1.00 0.00 C ATOM 0 H LEU A 23 4.061 10.508 -3.001 1.00 0.00 H new ATOM 0 HA LEU A 23 4.582 8.117 -4.670 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.310 8.815 -2.777 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.333 7.401 -3.812 1.00 0.00 H new ATOM 0 HG LEU A 23 4.171 7.999 -1.482 1.00 0.00 H new ATOM 0 HD11 LEU A 23 3.199 5.931 -0.563 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.954 7.163 -0.879 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.153 5.792 -1.996 1.00 0.00 H new ATOM 0 HD21 LEU A 23 5.232 5.825 -1.956 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.265 5.683 -3.443 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.473 6.981 -3.288 1.00 0.00 H new ATOM 328 N GLN A 24 3.635 10.330 -6.123 1.00 0.00 N ATOM 329 CA GLN A 24 2.945 10.973 -7.235 1.00 0.00 C ATOM 330 C GLN A 24 2.673 9.976 -8.357 1.00 0.00 C ATOM 331 O GLN A 24 3.597 9.378 -8.906 1.00 0.00 O ATOM 332 CB GLN A 24 3.771 12.145 -7.768 1.00 0.00 C ATOM 333 CG GLN A 24 3.207 12.760 -9.038 1.00 0.00 C ATOM 334 CD GLN A 24 1.732 13.089 -8.922 1.00 0.00 C ATOM 335 OE1 GLN A 24 0.878 12.345 -9.406 1.00 0.00 O ATOM 336 NE2 GLN A 24 1.424 14.209 -8.279 1.00 0.00 N ATOM 0 H GLN A 24 4.597 10.641 -5.987 1.00 0.00 H new ATOM 0 HA GLN A 24 1.990 11.349 -6.867 1.00 0.00 H new ATOM 0 HB2 GLN A 24 3.833 12.914 -6.998 1.00 0.00 H new ATOM 0 HB3 GLN A 24 4.788 11.804 -7.960 1.00 0.00 H new ATOM 0 HG2 GLN A 24 3.761 13.669 -9.274 1.00 0.00 H new ATOM 0 HG3 GLN A 24 3.357 12.071 -9.869 1.00 0.00 H new ATOM 0 HE21 GLN A 24 2.164 14.796 -7.894 1.00 0.00 H new ATOM 0 HE22 GLN A 24 0.447 14.483 -8.170 1.00 0.00 H new ATOM 345 N GLY A 25 1.398 9.801 -8.691 1.00 0.00 N ATOM 346 CA GLY A 25 1.028 8.875 -9.746 1.00 0.00 C ATOM 347 C GLY A 25 0.846 7.459 -9.236 1.00 0.00 C ATOM 348 O GLY A 25 1.062 6.495 -9.970 1.00 0.00 O ATOM 0 H GLY A 25 0.615 10.284 -8.250 1.00 0.00 H new ATOM 0 HA2 GLY A 25 0.102 9.212 -10.213 1.00 0.00 H new ATOM 0 HA3 GLY A 25 1.796 8.884 -10.519 1.00 0.00 H new ATOM 352 N VAL A 26 0.449 7.333 -7.973 1.00 0.00 N ATOM 353 CA VAL A 26 0.239 6.024 -7.366 1.00 0.00 C ATOM 354 C VAL A 26 -1.188 5.881 -6.848 1.00 0.00 C ATOM 355 O VAL A 26 -1.800 6.854 -6.408 1.00 0.00 O ATOM 356 CB VAL A 26 1.222 5.780 -6.205 1.00 0.00 C ATOM 357 CG1 VAL A 26 1.018 4.393 -5.615 1.00 0.00 C ATOM 358 CG2 VAL A 26 2.657 5.964 -6.674 1.00 0.00 C ATOM 0 H VAL A 26 0.267 8.121 -7.351 1.00 0.00 H new ATOM 0 HA VAL A 26 0.416 5.282 -8.144 1.00 0.00 H new ATOM 0 HB VAL A 26 1.023 6.513 -5.423 1.00 0.00 H new ATOM 0 HG11 VAL A 26 1.721 4.239 -4.796 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -0.001 4.304 -5.240 1.00 0.00 H new ATOM 0 HG13 VAL A 26 1.188 3.641 -6.386 1.00 0.00 H new ATOM 0 HG21 VAL A 26 3.337 5.788 -5.841 1.00 0.00 H new ATOM 0 HG22 VAL A 26 2.872 5.256 -7.474 1.00 0.00 H new ATOM 0 HG23 VAL A 26 2.791 6.981 -7.044 1.00 0.00 H new ATOM 368 N VAL A 27 -1.712 4.661 -6.904 1.00 0.00 N ATOM 369 CA VAL A 27 -3.067 4.389 -6.439 1.00 0.00 C ATOM 370 C VAL A 27 -3.074 3.302 -5.371 1.00 0.00 C ATOM 371 O VAL A 27 -2.685 2.162 -5.627 1.00 0.00 O ATOM 372 CB VAL A 27 -3.983 3.959 -7.600 1.00 0.00 C ATOM 373 CG1 VAL A 27 -5.400 3.719 -7.102 1.00 0.00 C ATOM 374 CG2 VAL A 27 -3.967 5.004 -8.706 1.00 0.00 C ATOM 0 H VAL A 27 -1.219 3.845 -7.267 1.00 0.00 H new ATOM 0 HA VAL A 27 -3.447 5.317 -6.011 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.605 3.023 -8.011 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -6.032 3.416 -7.936 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -5.392 2.932 -6.348 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -5.792 4.637 -6.664 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -4.620 4.684 -9.518 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -4.319 5.957 -8.311 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.950 5.121 -9.082 1.00 0.00 H new ATOM 384 N VAL A 28 -3.519 3.661 -4.171 1.00 0.00 N ATOM 385 CA VAL A 28 -3.578 2.715 -3.063 1.00 0.00 C ATOM 386 C VAL A 28 -5.019 2.330 -2.746 1.00 0.00 C ATOM 387 O VAL A 28 -5.898 3.188 -2.658 1.00 0.00 O ATOM 388 CB VAL A 28 -2.923 3.294 -1.795 1.00 0.00 C ATOM 389 CG1 VAL A 28 -1.407 3.209 -1.890 1.00 0.00 C ATOM 390 CG2 VAL A 28 -3.371 4.731 -1.573 1.00 0.00 C ATOM 0 H VAL A 28 -3.844 4.600 -3.941 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.027 1.828 -3.375 1.00 0.00 H new ATOM 0 HB VAL A 28 -3.243 2.701 -0.939 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.962 3.623 -0.985 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -1.107 2.167 -1.998 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -1.064 3.777 -2.755 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -2.899 5.124 -0.673 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.081 5.339 -2.430 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -4.454 4.761 -1.457 1.00 0.00 H new ATOM 400 N VAL A 29 -5.255 1.033 -2.575 1.00 0.00 N ATOM 401 CA VAL A 29 -6.589 0.532 -2.266 1.00 0.00 C ATOM 402 C VAL A 29 -6.659 -0.003 -0.841 1.00 0.00 C ATOM 403 O VAL A 29 -5.892 -0.890 -0.461 1.00 0.00 O ATOM 404 CB VAL A 29 -7.011 -0.581 -3.243 1.00 0.00 C ATOM 405 CG1 VAL A 29 -8.359 -1.161 -2.842 1.00 0.00 C ATOM 406 CG2 VAL A 29 -7.052 -0.052 -4.668 1.00 0.00 C ATOM 0 H VAL A 29 -4.539 0.310 -2.645 1.00 0.00 H new ATOM 0 HA VAL A 29 -7.274 1.373 -2.368 1.00 0.00 H new ATOM 0 HB VAL A 29 -6.271 -1.380 -3.198 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -8.641 -1.946 -3.544 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -8.291 -1.579 -1.838 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -9.113 -0.374 -2.857 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -7.352 -0.852 -5.345 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -7.770 0.766 -4.732 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -6.063 0.310 -4.950 1.00 0.00 H new ATOM 416 N LEU A 30 -7.582 0.540 -0.055 1.00 0.00 N ATOM 417 CA LEU A 30 -7.753 0.116 1.330 1.00 0.00 C ATOM 418 C LEU A 30 -8.618 -1.138 1.414 1.00 0.00 C ATOM 419 O LEU A 30 -9.793 -1.119 1.046 1.00 0.00 O ATOM 420 CB LEU A 30 -8.384 1.240 2.154 1.00 0.00 C ATOM 421 CG LEU A 30 -7.563 2.524 2.277 1.00 0.00 C ATOM 422 CD1 LEU A 30 -8.278 3.533 3.162 1.00 0.00 C ATOM 423 CD2 LEU A 30 -6.176 2.220 2.825 1.00 0.00 C ATOM 0 H LEU A 30 -8.223 1.275 -0.353 1.00 0.00 H new ATOM 0 HA LEU A 30 -6.769 -0.116 1.736 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -9.348 1.490 1.712 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -8.582 0.861 3.157 1.00 0.00 H new ATOM 0 HG LEU A 30 -7.452 2.958 1.283 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -7.678 4.440 3.238 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -9.248 3.775 2.728 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -8.421 3.109 4.156 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -5.606 3.145 2.906 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -6.266 1.762 3.810 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -5.661 1.534 2.152 1.00 0.00 H new ATOM 435 N SER A 31 -8.030 -2.225 1.901 1.00 0.00 N ATOM 436 CA SER A 31 -8.747 -3.489 2.031 1.00 0.00 C ATOM 437 C SER A 31 -8.330 -4.221 3.303 1.00 0.00 C ATOM 438 O SER A 31 -7.235 -4.775 3.384 1.00 0.00 O ATOM 439 CB SER A 31 -8.487 -4.375 0.811 1.00 0.00 C ATOM 440 OG SER A 31 -9.532 -5.315 0.632 1.00 0.00 O ATOM 0 H SER A 31 -7.059 -2.257 2.212 1.00 0.00 H new ATOM 0 HA SER A 31 -9.813 -3.269 2.091 1.00 0.00 H new ATOM 0 HB2 SER A 31 -8.395 -3.754 -0.080 1.00 0.00 H new ATOM 0 HB3 SER A 31 -7.539 -4.899 0.933 1.00 0.00 H new ATOM 0 HG SER A 31 -9.321 -6.136 1.124 1.00 0.00 H new ATOM 446 N GLY A 32 -9.214 -4.218 4.297 1.00 0.00 N ATOM 447 CA GLY A 32 -8.921 -4.884 5.552 1.00 0.00 C ATOM 448 C GLY A 32 -8.630 -3.906 6.673 1.00 0.00 C ATOM 449 O GLY A 32 -7.806 -4.179 7.547 1.00 0.00 O ATOM 0 H GLY A 32 -10.127 -3.766 4.255 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -9.766 -5.512 5.832 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -8.064 -5.544 5.418 1.00 0.00 H new ATOM 453 N PHE A 33 -9.307 -2.763 6.649 1.00 0.00 N ATOM 454 CA PHE A 33 -9.115 -1.739 7.670 1.00 0.00 C ATOM 455 C PHE A 33 -10.450 -1.326 8.283 1.00 0.00 C ATOM 456 O PHE A 33 -11.510 -1.557 7.701 1.00 0.00 O ATOM 457 CB PHE A 33 -8.415 -0.517 7.072 1.00 0.00 C ATOM 458 CG PHE A 33 -7.126 -0.846 6.375 1.00 0.00 C ATOM 459 CD1 PHE A 33 -5.975 -1.101 7.102 1.00 0.00 C ATOM 460 CD2 PHE A 33 -7.066 -0.900 4.992 1.00 0.00 C ATOM 461 CE1 PHE A 33 -4.787 -1.405 6.464 1.00 0.00 C ATOM 462 CE2 PHE A 33 -5.881 -1.204 4.348 1.00 0.00 C ATOM 463 CZ PHE A 33 -4.740 -1.455 5.085 1.00 0.00 C ATOM 0 H PHE A 33 -9.993 -2.522 5.934 1.00 0.00 H new ATOM 0 HA PHE A 33 -8.488 -2.158 8.457 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -9.088 -0.033 6.364 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -8.216 0.203 7.866 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -6.006 -1.062 8.181 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -7.954 -0.702 4.411 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -3.897 -1.603 7.043 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -5.847 -1.245 3.269 1.00 0.00 H new ATOM 0 HZ PHE A 33 -3.813 -1.690 4.583 1.00 0.00 H new ATOM 473 N GLN A 34 -10.389 -0.714 9.461 1.00 0.00 N ATOM 474 CA GLN A 34 -11.593 -0.269 10.154 1.00 0.00 C ATOM 475 C GLN A 34 -11.398 1.124 10.744 1.00 0.00 C ATOM 476 O GLN A 34 -10.417 1.382 11.440 1.00 0.00 O ATOM 477 CB GLN A 34 -11.964 -1.258 11.261 1.00 0.00 C ATOM 478 CG GLN A 34 -13.349 -1.026 11.844 1.00 0.00 C ATOM 479 CD GLN A 34 -13.683 -1.998 12.958 1.00 0.00 C ATOM 480 OE1 GLN A 34 -13.230 -1.840 14.092 1.00 0.00 O ATOM 481 NE2 GLN A 34 -14.480 -3.011 12.640 1.00 0.00 N ATOM 0 H GLN A 34 -9.519 -0.515 9.956 1.00 0.00 H new ATOM 0 HA GLN A 34 -12.405 -0.225 9.428 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -11.911 -2.272 10.864 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -11.226 -1.190 12.060 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -13.413 -0.007 12.225 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -14.092 -1.117 11.052 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -14.832 -3.103 11.687 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -14.740 -3.697 13.348 1.00 0.00 H new ATOM 490 N ASN A 35 -12.339 2.018 10.461 1.00 0.00 N ATOM 491 CA ASN A 35 -12.270 3.385 10.964 1.00 0.00 C ATOM 492 C ASN A 35 -12.102 3.400 12.480 1.00 0.00 C ATOM 493 O ASN A 35 -12.532 2.488 13.186 1.00 0.00 O ATOM 494 CB ASN A 35 -13.531 4.159 10.572 1.00 0.00 C ATOM 495 CG ASN A 35 -14.714 3.822 11.459 1.00 0.00 C ATOM 496 OD1 ASN A 35 -14.839 4.340 12.569 1.00 0.00 O ATOM 497 ND2 ASN A 35 -15.590 2.950 10.972 1.00 0.00 N ATOM 0 H ASN A 35 -13.158 1.821 9.886 1.00 0.00 H new ATOM 0 HA ASN A 35 -11.401 3.867 10.516 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -13.330 5.229 10.629 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -13.783 3.937 9.535 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -16.406 2.685 11.523 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -15.446 2.546 10.047 1.00 0.00 H new ATOM 504 N PRO A 36 -11.461 4.460 12.993 1.00 0.00 N ATOM 505 CA PRO A 36 -10.944 5.552 12.163 1.00 0.00 C ATOM 506 C PRO A 36 -9.753 5.120 11.313 1.00 0.00 C ATOM 507 O PRO A 36 -9.371 5.807 10.366 1.00 0.00 O ATOM 508 CB PRO A 36 -10.516 6.605 13.187 1.00 0.00 C ATOM 509 CG PRO A 36 -10.231 5.833 14.429 1.00 0.00 C ATOM 510 CD PRO A 36 -11.191 4.675 14.425 1.00 0.00 C ATOM 0 HA PRO A 36 -11.687 5.909 11.450 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -9.635 7.150 12.849 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -11.303 7.341 13.350 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -9.198 5.484 14.444 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -10.371 6.453 15.315 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -10.755 3.790 14.889 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -12.103 4.907 14.975 1.00 0.00 H new ATOM 518 N PHE A 37 -9.170 3.977 11.658 1.00 0.00 N ATOM 519 CA PHE A 37 -8.021 3.453 10.928 1.00 0.00 C ATOM 520 C PHE A 37 -8.154 3.733 9.433 1.00 0.00 C ATOM 521 O PHE A 37 -7.214 4.203 8.793 1.00 0.00 O ATOM 522 CB PHE A 37 -7.881 1.948 11.166 1.00 0.00 C ATOM 523 CG PHE A 37 -6.465 1.457 11.075 1.00 0.00 C ATOM 524 CD1 PHE A 37 -5.448 2.102 11.759 1.00 0.00 C ATOM 525 CD2 PHE A 37 -6.151 0.348 10.305 1.00 0.00 C ATOM 526 CE1 PHE A 37 -4.144 1.652 11.676 1.00 0.00 C ATOM 527 CE2 PHE A 37 -4.848 -0.107 10.219 1.00 0.00 C ATOM 528 CZ PHE A 37 -3.844 0.545 10.906 1.00 0.00 C ATOM 0 H PHE A 37 -9.474 3.395 12.439 1.00 0.00 H new ATOM 0 HA PHE A 37 -7.127 3.956 11.297 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -8.279 1.705 12.151 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -8.490 1.414 10.436 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -5.677 2.967 12.364 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -6.933 -0.167 9.766 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -3.360 2.165 12.213 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -4.616 -0.972 9.615 1.00 0.00 H new ATOM 0 HZ PHE A 37 -2.826 0.190 10.842 1.00 0.00 H new ATOM 538 N ARG A 38 -9.329 3.439 8.885 1.00 0.00 N ATOM 539 CA ARG A 38 -9.585 3.657 7.466 1.00 0.00 C ATOM 540 C ARG A 38 -9.212 5.079 7.058 1.00 0.00 C ATOM 541 O ARG A 38 -8.237 5.294 6.337 1.00 0.00 O ATOM 542 CB ARG A 38 -11.057 3.393 7.146 1.00 0.00 C ATOM 543 CG ARG A 38 -11.459 1.934 7.286 1.00 0.00 C ATOM 544 CD ARG A 38 -12.580 1.570 6.326 1.00 0.00 C ATOM 545 NE ARG A 38 -13.417 0.491 6.845 1.00 0.00 N ATOM 546 CZ ARG A 38 -14.450 -0.020 6.185 1.00 0.00 C ATOM 547 NH1 ARG A 38 -14.772 0.446 4.986 1.00 0.00 N ATOM 548 NH2 ARG A 38 -15.163 -1.001 6.724 1.00 0.00 N ATOM 0 H ARG A 38 -10.118 3.050 9.401 1.00 0.00 H new ATOM 0 HA ARG A 38 -8.966 2.961 6.900 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -11.678 3.997 7.808 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -11.263 3.722 6.127 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -10.595 1.298 7.096 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -11.778 1.740 8.310 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -13.197 2.449 6.139 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -12.154 1.270 5.369 1.00 0.00 H new ATOM 0 HE ARG A 38 -13.196 0.109 7.765 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -14.226 1.199 4.568 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -15.566 0.051 4.482 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -14.918 -1.363 7.646 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -15.956 -1.393 6.217 1.00 0.00 H new ATOM 562 N SER A 39 -9.994 6.048 7.524 1.00 0.00 N ATOM 563 CA SER A 39 -9.748 7.449 7.204 1.00 0.00 C ATOM 564 C SER A 39 -8.281 7.807 7.422 1.00 0.00 C ATOM 565 O SER A 39 -7.602 8.269 6.506 1.00 0.00 O ATOM 566 CB SER A 39 -10.638 8.353 8.060 1.00 0.00 C ATOM 567 OG SER A 39 -10.806 9.623 7.455 1.00 0.00 O ATOM 0 H SER A 39 -10.803 5.888 8.124 1.00 0.00 H new ATOM 0 HA SER A 39 -9.989 7.604 6.152 1.00 0.00 H new ATOM 0 HB2 SER A 39 -11.611 7.882 8.201 1.00 0.00 H new ATOM 0 HB3 SER A 39 -10.196 8.473 9.049 1.00 0.00 H new ATOM 0 HG SER A 39 -11.380 10.181 8.020 1.00 0.00 H new ATOM 573 N GLU A 40 -7.801 7.590 8.642 1.00 0.00 N ATOM 574 CA GLU A 40 -6.415 7.890 8.981 1.00 0.00 C ATOM 575 C GLU A 40 -5.465 7.353 7.914 1.00 0.00 C ATOM 576 O GLU A 40 -4.599 8.074 7.418 1.00 0.00 O ATOM 577 CB GLU A 40 -6.059 7.293 10.344 1.00 0.00 C ATOM 578 CG GLU A 40 -4.636 7.590 10.786 1.00 0.00 C ATOM 579 CD GLU A 40 -4.440 7.415 12.279 1.00 0.00 C ATOM 580 OE1 GLU A 40 -4.584 6.275 12.768 1.00 0.00 O ATOM 581 OE2 GLU A 40 -4.142 8.420 12.960 1.00 0.00 O ATOM 0 H GLU A 40 -8.351 7.208 9.412 1.00 0.00 H new ATOM 0 HA GLU A 40 -6.306 8.974 9.028 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -6.751 7.679 11.092 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -6.201 6.213 10.306 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -3.949 6.932 10.254 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -4.379 8.612 10.507 1.00 0.00 H new ATOM 588 N LEU A 41 -5.633 6.082 7.567 1.00 0.00 N ATOM 589 CA LEU A 41 -4.791 5.446 6.560 1.00 0.00 C ATOM 590 C LEU A 41 -4.830 6.224 5.249 1.00 0.00 C ATOM 591 O LEU A 41 -3.789 6.525 4.664 1.00 0.00 O ATOM 592 CB LEU A 41 -5.245 4.004 6.324 1.00 0.00 C ATOM 593 CG LEU A 41 -4.246 3.095 5.607 1.00 0.00 C ATOM 594 CD1 LEU A 41 -2.853 3.265 6.194 1.00 0.00 C ATOM 595 CD2 LEU A 41 -4.690 1.642 5.694 1.00 0.00 C ATOM 0 H LEU A 41 -6.345 5.471 7.968 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.765 5.442 6.929 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.485 3.557 7.289 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -6.168 4.025 5.744 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.212 3.382 4.556 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.156 2.610 5.671 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.534 4.301 6.079 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.870 3.006 7.253 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -3.967 1.009 5.178 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -4.753 1.343 6.740 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -5.668 1.532 5.226 1.00 0.00 H new ATOM 607 N ARG A 42 -6.036 6.548 4.794 1.00 0.00 N ATOM 608 CA ARG A 42 -6.209 7.291 3.552 1.00 0.00 C ATOM 609 C ARG A 42 -5.535 8.658 3.638 1.00 0.00 C ATOM 610 O ARG A 42 -4.698 9.001 2.803 1.00 0.00 O ATOM 611 CB ARG A 42 -7.697 7.464 3.239 1.00 0.00 C ATOM 612 CG ARG A 42 -7.968 7.983 1.837 1.00 0.00 C ATOM 613 CD ARG A 42 -9.396 8.488 1.697 1.00 0.00 C ATOM 614 NE ARG A 42 -9.515 9.511 0.661 1.00 0.00 N ATOM 615 CZ ARG A 42 -10.665 10.082 0.321 1.00 0.00 C ATOM 616 NH1 ARG A 42 -11.789 9.733 0.932 1.00 0.00 N ATOM 617 NH2 ARG A 42 -10.692 11.006 -0.631 1.00 0.00 N ATOM 0 H ARG A 42 -6.907 6.308 5.267 1.00 0.00 H new ATOM 0 HA ARG A 42 -5.739 6.722 2.749 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -8.200 6.505 3.366 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -8.134 8.152 3.963 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -7.271 8.789 1.605 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -7.789 7.188 1.113 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -10.054 7.653 1.459 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -9.731 8.897 2.650 1.00 0.00 H new ATOM 0 HE ARG A 42 -8.669 9.803 0.172 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -11.772 9.024 1.665 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -12.671 10.173 0.669 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -9.829 11.278 -1.102 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -11.576 11.444 -0.892 1.00 0.00 H new ATOM 631 N ASP A 43 -5.907 9.432 4.651 1.00 0.00 N ATOM 632 CA ASP A 43 -5.338 10.761 4.847 1.00 0.00 C ATOM 633 C ASP A 43 -3.841 10.759 4.554 1.00 0.00 C ATOM 634 O ASP A 43 -3.362 11.515 3.707 1.00 0.00 O ATOM 635 CB ASP A 43 -5.590 11.241 6.277 1.00 0.00 C ATOM 636 CG ASP A 43 -6.893 12.004 6.410 1.00 0.00 C ATOM 637 OD1 ASP A 43 -7.056 13.028 5.714 1.00 0.00 O ATOM 638 OD2 ASP A 43 -7.751 11.576 7.210 1.00 0.00 O ATOM 0 H ASP A 43 -6.600 9.163 5.349 1.00 0.00 H new ATOM 0 HA ASP A 43 -5.825 11.445 4.152 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -5.605 10.382 6.948 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -4.765 11.879 6.594 1.00 0.00 H new ATOM 643 N LYS A 44 -3.106 9.907 5.260 1.00 0.00 N ATOM 644 CA LYS A 44 -1.663 9.806 5.076 1.00 0.00 C ATOM 645 C LYS A 44 -1.322 9.422 3.640 1.00 0.00 C ATOM 646 O LYS A 44 -0.408 9.984 3.037 1.00 0.00 O ATOM 647 CB LYS A 44 -1.076 8.777 6.044 1.00 0.00 C ATOM 648 CG LYS A 44 -0.989 9.270 7.478 1.00 0.00 C ATOM 649 CD LYS A 44 -1.036 8.117 8.468 1.00 0.00 C ATOM 650 CE LYS A 44 -1.055 8.617 9.904 1.00 0.00 C ATOM 651 NZ LYS A 44 -1.426 7.538 10.861 1.00 0.00 N ATOM 0 H LYS A 44 -3.486 9.276 5.965 1.00 0.00 H new ATOM 0 HA LYS A 44 -1.226 10.783 5.285 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -1.687 7.874 6.016 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -0.079 8.498 5.704 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -0.065 9.831 7.615 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -1.812 9.957 7.678 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -1.922 7.511 8.281 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -0.171 7.471 8.318 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -0.073 9.012 10.164 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -1.763 9.441 9.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -2.042 7.928 11.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -1.930 6.783 10.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -0.565 7.148 11.296 1.00 0.00 H new ATOM 665 N ALA A 45 -2.064 8.462 3.098 1.00 0.00 N ATOM 666 CA ALA A 45 -1.843 8.006 1.731 1.00 0.00 C ATOM 667 C ALA A 45 -2.054 9.139 0.733 1.00 0.00 C ATOM 668 O ALA A 45 -1.398 9.193 -0.309 1.00 0.00 O ATOM 669 CB ALA A 45 -2.763 6.837 1.409 1.00 0.00 C ATOM 0 H ALA A 45 -2.823 7.985 3.584 1.00 0.00 H new ATOM 0 HA ALA A 45 -0.808 7.673 1.648 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -2.587 6.507 0.385 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -2.560 6.015 2.095 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -3.801 7.151 1.516 1.00 0.00 H new ATOM 675 N LEU A 46 -2.974 10.041 1.056 1.00 0.00 N ATOM 676 CA LEU A 46 -3.272 11.174 0.186 1.00 0.00 C ATOM 677 C LEU A 46 -2.123 12.177 0.185 1.00 0.00 C ATOM 678 O LEU A 46 -1.731 12.684 -0.866 1.00 0.00 O ATOM 679 CB LEU A 46 -4.563 11.861 0.635 1.00 0.00 C ATOM 680 CG LEU A 46 -5.828 11.002 0.599 1.00 0.00 C ATOM 681 CD1 LEU A 46 -6.974 11.711 1.305 1.00 0.00 C ATOM 682 CD2 LEU A 46 -6.206 10.671 -0.837 1.00 0.00 C ATOM 0 H LEU A 46 -3.526 10.010 1.913 1.00 0.00 H new ATOM 0 HA LEU A 46 -3.402 10.797 -0.829 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -4.423 12.223 1.653 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -4.724 12.736 0.005 1.00 0.00 H new ATOM 0 HG LEU A 46 -5.627 10.069 1.125 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -7.866 11.085 1.270 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -6.702 11.897 2.344 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -7.176 12.660 0.808 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -7.108 10.059 -0.844 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -6.389 11.594 -1.387 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -5.392 10.122 -1.310 1.00 0.00 H new ATOM 694 N GLU A 47 -1.587 12.457 1.369 1.00 0.00 N ATOM 695 CA GLU A 47 -0.482 13.399 1.502 1.00 0.00 C ATOM 696 C GLU A 47 0.646 13.055 0.534 1.00 0.00 C ATOM 697 O GLU A 47 1.086 13.898 -0.250 1.00 0.00 O ATOM 698 CB GLU A 47 0.047 13.398 2.938 1.00 0.00 C ATOM 699 CG GLU A 47 -0.641 14.409 3.841 1.00 0.00 C ATOM 700 CD GLU A 47 -2.088 14.050 4.121 1.00 0.00 C ATOM 701 OE1 GLU A 47 -2.936 14.271 3.231 1.00 0.00 O ATOM 702 OE2 GLU A 47 -2.372 13.550 5.229 1.00 0.00 O ATOM 0 H GLU A 47 -1.900 12.046 2.248 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.855 14.394 1.259 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -0.078 12.401 3.361 1.00 0.00 H new ATOM 0 HB3 GLU A 47 1.117 13.606 2.922 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -0.098 14.477 4.784 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -0.598 15.394 3.376 1.00 0.00 H new ATOM 709 N LEU A 48 1.111 11.812 0.593 1.00 0.00 N ATOM 710 CA LEU A 48 2.188 11.355 -0.278 1.00 0.00 C ATOM 711 C LEU A 48 1.860 11.634 -1.741 1.00 0.00 C ATOM 712 O LEU A 48 2.754 11.730 -2.581 1.00 0.00 O ATOM 713 CB LEU A 48 2.435 9.859 -0.075 1.00 0.00 C ATOM 714 CG LEU A 48 2.658 9.405 1.368 1.00 0.00 C ATOM 715 CD1 LEU A 48 2.526 7.894 1.479 1.00 0.00 C ATOM 716 CD2 LEU A 48 4.021 9.862 1.867 1.00 0.00 C ATOM 0 H LEU A 48 0.759 11.102 1.235 1.00 0.00 H new ATOM 0 HA LEU A 48 3.092 11.905 -0.016 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.583 9.312 -0.479 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.306 9.572 -0.664 1.00 0.00 H new ATOM 0 HG LEU A 48 1.892 9.863 1.995 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.688 7.590 2.513 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.527 7.592 1.164 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.268 7.416 0.840 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.162 9.530 2.896 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.801 9.434 1.237 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.077 10.950 1.826 1.00 0.00 H new ATOM 728 N GLY A 49 0.571 11.765 -2.039 1.00 0.00 N ATOM 729 CA GLY A 49 0.148 12.033 -3.401 1.00 0.00 C ATOM 730 C GLY A 49 -0.442 10.812 -4.077 1.00 0.00 C ATOM 731 O GLY A 49 -0.448 10.714 -5.304 1.00 0.00 O ATOM 0 H GLY A 49 -0.188 11.690 -1.361 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -0.591 12.835 -3.397 1.00 0.00 H new ATOM 0 HA3 GLY A 49 1.001 12.388 -3.980 1.00 0.00 H new ATOM 735 N ALA A 50 -0.940 9.876 -3.275 1.00 0.00 N ATOM 736 CA ALA A 50 -1.535 8.655 -3.802 1.00 0.00 C ATOM 737 C ALA A 50 -3.056 8.754 -3.831 1.00 0.00 C ATOM 738 O ALA A 50 -3.660 9.444 -3.010 1.00 0.00 O ATOM 739 CB ALA A 50 -1.098 7.454 -2.976 1.00 0.00 C ATOM 0 H ALA A 50 -0.943 9.941 -2.257 1.00 0.00 H new ATOM 0 HA ALA A 50 -1.186 8.523 -4.826 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.551 6.549 -3.382 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -0.012 7.364 -3.011 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.418 7.587 -1.943 1.00 0.00 H new ATOM 745 N LYS A 51 -3.672 8.059 -4.782 1.00 0.00 N ATOM 746 CA LYS A 51 -5.123 8.068 -4.919 1.00 0.00 C ATOM 747 C LYS A 51 -5.750 6.917 -4.138 1.00 0.00 C ATOM 748 O LYS A 51 -5.195 5.820 -4.078 1.00 0.00 O ATOM 749 CB LYS A 51 -5.518 7.971 -6.394 1.00 0.00 C ATOM 750 CG LYS A 51 -5.202 9.225 -7.192 1.00 0.00 C ATOM 751 CD LYS A 51 -3.793 9.184 -7.760 1.00 0.00 C ATOM 752 CE LYS A 51 -3.520 10.380 -8.658 1.00 0.00 C ATOM 753 NZ LYS A 51 -3.238 11.612 -7.870 1.00 0.00 N ATOM 0 H LYS A 51 -3.188 7.482 -5.470 1.00 0.00 H new ATOM 0 HA LYS A 51 -5.495 9.008 -4.511 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -5.001 7.124 -6.845 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -6.586 7.766 -6.463 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -5.920 9.331 -8.005 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -5.313 10.101 -6.553 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -3.071 9.168 -6.944 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -3.654 8.263 -8.326 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -2.671 10.161 -9.306 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -4.380 10.552 -9.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -3.057 12.405 -8.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -4.058 11.835 -7.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -2.402 11.457 -7.271 1.00 0.00 H new ATOM 767 N TYR A 52 -6.909 7.175 -3.542 1.00 0.00 N ATOM 768 CA TYR A 52 -7.610 6.161 -2.764 1.00 0.00 C ATOM 769 C TYR A 52 -8.857 5.676 -3.498 1.00 0.00 C ATOM 770 O TYR A 52 -9.802 6.437 -3.708 1.00 0.00 O ATOM 771 CB TYR A 52 -7.997 6.717 -1.392 1.00 0.00 C ATOM 772 CG TYR A 52 -9.214 6.052 -0.790 1.00 0.00 C ATOM 773 CD1 TYR A 52 -9.155 4.745 -0.321 1.00 0.00 C ATOM 774 CD2 TYR A 52 -10.422 6.730 -0.689 1.00 0.00 C ATOM 775 CE1 TYR A 52 -10.265 4.133 0.229 1.00 0.00 C ATOM 776 CE2 TYR A 52 -11.536 6.127 -0.139 1.00 0.00 C ATOM 777 CZ TYR A 52 -11.453 4.828 0.318 1.00 0.00 C ATOM 778 OH TYR A 52 -12.560 4.223 0.867 1.00 0.00 O ATOM 0 H TYR A 52 -7.383 8.077 -3.583 1.00 0.00 H new ATOM 0 HA TYR A 52 -6.937 5.314 -2.629 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -7.154 6.599 -0.711 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -8.186 7.787 -1.483 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -8.226 4.199 -0.388 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -10.491 7.747 -1.047 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -10.203 3.116 0.587 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -12.467 6.669 -0.067 1.00 0.00 H new ATOM 0 HH TYR A 52 -13.314 4.849 0.856 1.00 0.00 H new ATOM 788 N ARG A 53 -8.851 4.405 -3.885 1.00 0.00 N ATOM 789 CA ARG A 53 -9.980 3.817 -4.596 1.00 0.00 C ATOM 790 C ARG A 53 -10.814 2.943 -3.664 1.00 0.00 C ATOM 791 O ARG A 53 -10.294 2.263 -2.780 1.00 0.00 O ATOM 792 CB ARG A 53 -9.486 2.989 -5.784 1.00 0.00 C ATOM 793 CG ARG A 53 -9.023 3.830 -6.962 1.00 0.00 C ATOM 794 CD ARG A 53 -10.199 4.448 -7.701 1.00 0.00 C ATOM 795 NE ARG A 53 -10.641 5.695 -7.081 1.00 0.00 N ATOM 796 CZ ARG A 53 -9.987 6.845 -7.198 1.00 0.00 C ATOM 797 NH1 ARG A 53 -8.869 6.908 -7.907 1.00 0.00 N ATOM 798 NH2 ARG A 53 -10.452 7.937 -6.604 1.00 0.00 N ATOM 0 H ARG A 53 -8.077 3.762 -3.718 1.00 0.00 H new ATOM 0 HA ARG A 53 -10.608 4.628 -4.964 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -8.663 2.354 -5.456 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -10.287 2.328 -6.113 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -8.359 4.619 -6.609 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -8.446 3.210 -7.648 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -9.917 4.638 -8.737 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -11.027 3.740 -7.721 1.00 0.00 H new ATOM 0 HE ARG A 53 -11.498 5.682 -6.528 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -8.508 6.071 -8.365 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -8.370 7.793 -7.994 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -11.312 7.893 -6.057 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -9.949 8.820 -6.694 1.00 0.00 H new ATOM 812 N PRO A 54 -12.140 2.961 -3.866 1.00 0.00 N ATOM 813 CA PRO A 54 -13.074 2.176 -3.054 1.00 0.00 C ATOM 814 C PRO A 54 -12.955 0.678 -3.318 1.00 0.00 C ATOM 815 O PRO A 54 -13.382 -0.141 -2.504 1.00 0.00 O ATOM 816 CB PRO A 54 -14.447 2.689 -3.496 1.00 0.00 C ATOM 817 CG PRO A 54 -14.231 3.205 -4.877 1.00 0.00 C ATOM 818 CD PRO A 54 -12.829 3.748 -4.902 1.00 0.00 C ATOM 0 HA PRO A 54 -12.883 2.293 -1.987 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -15.191 1.892 -3.483 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -14.809 3.474 -2.832 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -14.355 2.411 -5.614 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -14.955 3.983 -5.121 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -12.365 3.618 -5.880 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -12.807 4.814 -4.678 1.00 0.00 H new ATOM 826 N ASP A 55 -12.373 0.328 -4.460 1.00 0.00 N ATOM 827 CA ASP A 55 -12.197 -1.071 -4.830 1.00 0.00 C ATOM 828 C ASP A 55 -11.097 -1.221 -5.877 1.00 0.00 C ATOM 829 O ASP A 55 -10.687 -0.246 -6.505 1.00 0.00 O ATOM 830 CB ASP A 55 -13.508 -1.649 -5.364 1.00 0.00 C ATOM 831 CG ASP A 55 -13.368 -3.093 -5.802 1.00 0.00 C ATOM 832 OD1 ASP A 55 -13.130 -3.957 -4.932 1.00 0.00 O ATOM 833 OD2 ASP A 55 -13.496 -3.361 -7.016 1.00 0.00 O ATOM 0 H ASP A 55 -12.015 0.994 -5.145 1.00 0.00 H new ATOM 0 HA ASP A 55 -11.903 -1.623 -3.937 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -14.274 -1.579 -4.591 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -13.850 -1.048 -6.207 1.00 0.00 H new ATOM 838 N TRP A 56 -10.623 -2.449 -6.057 1.00 0.00 N ATOM 839 CA TRP A 56 -9.569 -2.727 -7.026 1.00 0.00 C ATOM 840 C TRP A 56 -10.030 -2.393 -8.441 1.00 0.00 C ATOM 841 O TRP A 56 -10.967 -3.001 -8.960 1.00 0.00 O ATOM 842 CB TRP A 56 -9.148 -4.195 -6.946 1.00 0.00 C ATOM 843 CG TRP A 56 -7.922 -4.506 -7.750 1.00 0.00 C ATOM 844 CD1 TRP A 56 -7.855 -5.268 -8.881 1.00 0.00 C ATOM 845 CD2 TRP A 56 -6.587 -4.063 -7.482 1.00 0.00 C ATOM 846 NE1 TRP A 56 -6.558 -5.326 -9.332 1.00 0.00 N ATOM 847 CE2 TRP A 56 -5.761 -4.594 -8.492 1.00 0.00 C ATOM 848 CE3 TRP A 56 -6.009 -3.268 -6.488 1.00 0.00 C ATOM 849 CZ2 TRP A 56 -4.390 -4.356 -8.534 1.00 0.00 C ATOM 850 CZ3 TRP A 56 -4.648 -3.033 -6.531 1.00 0.00 C ATOM 851 CH2 TRP A 56 -3.851 -3.575 -7.548 1.00 0.00 C ATOM 0 H TRP A 56 -10.952 -3.268 -5.545 1.00 0.00 H new ATOM 0 HA TRP A 56 -8.712 -2.098 -6.785 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -8.966 -4.457 -5.904 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -9.970 -4.821 -7.293 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -8.697 -5.754 -9.352 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -6.240 -5.832 -10.159 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -6.615 -2.845 -5.701 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -3.774 -4.773 -9.317 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -4.191 -2.421 -5.768 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -2.790 -3.372 -7.554 1.00 0.00 H new ATOM 862 N THR A 57 -9.366 -1.424 -9.062 1.00 0.00 N ATOM 863 CA THR A 57 -9.708 -1.009 -10.417 1.00 0.00 C ATOM 864 C THR A 57 -8.506 -1.126 -11.348 1.00 0.00 C ATOM 865 O THR A 57 -7.390 -1.399 -10.905 1.00 0.00 O ATOM 866 CB THR A 57 -10.227 0.441 -10.447 1.00 0.00 C ATOM 867 OG1 THR A 57 -10.391 0.875 -11.802 1.00 0.00 O ATOM 868 CG2 THR A 57 -9.269 1.374 -9.722 1.00 0.00 C ATOM 0 H THR A 57 -8.587 -0.911 -8.648 1.00 0.00 H new ATOM 0 HA THR A 57 -10.498 -1.677 -10.762 1.00 0.00 H new ATOM 0 HB THR A 57 -11.191 0.469 -9.938 1.00 0.00 H new ATOM 0 HG1 THR A 57 -10.723 1.797 -11.812 1.00 0.00 H new ATOM 0 HG21 THR A 57 -9.657 2.392 -9.757 1.00 0.00 H new ATOM 0 HG22 THR A 57 -9.170 1.058 -8.683 1.00 0.00 H new ATOM 0 HG23 THR A 57 -8.293 1.341 -10.206 1.00 0.00 H new ATOM 876 N ARG A 58 -8.741 -0.917 -12.639 1.00 0.00 N ATOM 877 CA ARG A 58 -7.677 -0.999 -13.632 1.00 0.00 C ATOM 878 C ARG A 58 -6.629 0.084 -13.397 1.00 0.00 C ATOM 879 O ARG A 58 -5.534 0.034 -13.958 1.00 0.00 O ATOM 880 CB ARG A 58 -8.256 -0.867 -15.043 1.00 0.00 C ATOM 881 CG ARG A 58 -8.874 -2.151 -15.571 1.00 0.00 C ATOM 882 CD ARG A 58 -9.035 -2.111 -17.082 1.00 0.00 C ATOM 883 NE ARG A 58 -9.973 -3.124 -17.559 1.00 0.00 N ATOM 884 CZ ARG A 58 -10.025 -3.542 -18.819 1.00 0.00 C ATOM 885 NH1 ARG A 58 -9.196 -3.037 -19.723 1.00 0.00 N ATOM 886 NH2 ARG A 58 -10.906 -4.467 -19.177 1.00 0.00 N ATOM 0 H ARG A 58 -9.659 -0.690 -13.022 1.00 0.00 H new ATOM 0 HA ARG A 58 -7.196 -1.972 -13.533 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -9.013 -0.083 -15.044 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -7.466 -0.548 -15.722 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -8.248 -2.999 -15.293 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -9.847 -2.307 -15.104 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -9.384 -1.123 -17.383 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -8.065 -2.264 -17.554 1.00 0.00 H new ATOM 0 HE ARG A 58 -10.624 -3.533 -16.888 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -8.517 -2.326 -19.451 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -9.238 -3.359 -20.690 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -11.545 -4.858 -18.485 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -10.945 -4.787 -20.145 1.00 0.00 H new ATOM 900 N ASP A 59 -6.972 1.061 -12.565 1.00 0.00 N ATOM 901 CA ASP A 59 -6.061 2.157 -12.255 1.00 0.00 C ATOM 902 C ASP A 59 -5.305 1.884 -10.958 1.00 0.00 C ATOM 903 O ASP A 59 -4.405 2.635 -10.583 1.00 0.00 O ATOM 904 CB ASP A 59 -6.831 3.473 -12.145 1.00 0.00 C ATOM 905 CG ASP A 59 -6.937 4.195 -13.474 1.00 0.00 C ATOM 906 OD1 ASP A 59 -7.708 3.731 -14.340 1.00 0.00 O ATOM 907 OD2 ASP A 59 -6.250 5.223 -13.648 1.00 0.00 O ATOM 0 H ASP A 59 -7.874 1.117 -12.093 1.00 0.00 H new ATOM 0 HA ASP A 59 -5.337 2.236 -13.066 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -7.832 3.274 -11.762 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -6.336 4.121 -11.421 1.00 0.00 H new ATOM 912 N SER A 60 -5.679 0.806 -10.277 1.00 0.00 N ATOM 913 CA SER A 60 -5.040 0.437 -9.019 1.00 0.00 C ATOM 914 C SER A 60 -3.693 -0.234 -9.270 1.00 0.00 C ATOM 915 O SER A 60 -3.620 -1.293 -9.895 1.00 0.00 O ATOM 916 CB SER A 60 -5.947 -0.498 -8.217 1.00 0.00 C ATOM 917 OG SER A 60 -7.123 0.170 -7.794 1.00 0.00 O ATOM 0 H SER A 60 -6.421 0.173 -10.575 1.00 0.00 H new ATOM 0 HA SER A 60 -4.871 1.348 -8.445 1.00 0.00 H new ATOM 0 HB2 SER A 60 -6.215 -1.361 -8.827 1.00 0.00 H new ATOM 0 HB3 SER A 60 -5.408 -0.876 -7.349 1.00 0.00 H new ATOM 0 HG SER A 60 -6.881 0.931 -7.226 1.00 0.00 H new ATOM 923 N THR A 61 -2.627 0.389 -8.777 1.00 0.00 N ATOM 924 CA THR A 61 -1.282 -0.145 -8.948 1.00 0.00 C ATOM 925 C THR A 61 -0.864 -0.978 -7.742 1.00 0.00 C ATOM 926 O THR A 61 -0.512 -2.144 -7.909 1.00 0.00 O ATOM 927 CB THR A 61 -0.253 0.981 -9.162 1.00 0.00 C ATOM 928 OG1 THR A 61 -0.262 1.872 -8.042 1.00 0.00 O ATOM 929 CG2 THR A 61 -0.556 1.756 -10.436 1.00 0.00 C ATOM 0 H THR A 61 -2.670 1.265 -8.256 1.00 0.00 H new ATOM 0 HA THR A 61 -1.304 -0.779 -9.834 1.00 0.00 H new ATOM 0 HB THR A 61 0.734 0.528 -9.257 1.00 0.00 H new ATOM 0 HG1 THR A 61 0.555 1.745 -7.516 1.00 0.00 H new ATOM 0 HG21 THR A 61 0.184 2.546 -10.566 1.00 0.00 H new ATOM 0 HG22 THR A 61 -0.519 1.080 -11.290 1.00 0.00 H new ATOM 0 HG23 THR A 61 -1.550 2.198 -10.365 1.00 0.00 H new ATOM 937 N HIS A 62 -0.911 -0.369 -6.566 1.00 0.00 N ATOM 938 CA HIS A 62 -0.536 -1.065 -5.347 1.00 0.00 C ATOM 939 C HIS A 62 -1.773 -1.269 -4.471 1.00 0.00 C ATOM 940 O HIS A 62 -2.645 -0.406 -4.360 1.00 0.00 O ATOM 941 CB HIS A 62 0.589 -0.323 -4.622 1.00 0.00 C ATOM 942 CG HIS A 62 1.759 0.035 -5.507 1.00 0.00 C ATOM 943 ND1 HIS A 62 1.607 0.645 -6.740 1.00 0.00 N ATOM 944 CD2 HIS A 62 3.099 -0.137 -5.325 1.00 0.00 C ATOM 945 CE1 HIS A 62 2.808 0.827 -7.267 1.00 0.00 C ATOM 946 NE2 HIS A 62 3.732 0.341 -6.389 1.00 0.00 N ATOM 0 H HIS A 62 -1.203 0.599 -6.432 1.00 0.00 H new ATOM 0 HA HIS A 62 -0.142 -2.051 -5.593 1.00 0.00 H new ATOM 0 HB2 HIS A 62 0.185 0.590 -4.184 1.00 0.00 H new ATOM 0 HB3 HIS A 62 0.946 -0.941 -3.798 1.00 0.00 H new ATOM 0 HD2 HIS A 62 3.566 -0.586 -4.461 1.00 0.00 H new ATOM 0 HE1 HIS A 62 3.019 1.281 -8.224 1.00 0.00 H new ATOM 0 HE2 HIS A 62 4.743 0.344 -6.527 1.00 0.00 H new ATOM 954 N LEU A 63 -1.832 -2.439 -3.845 1.00 0.00 N ATOM 955 CA LEU A 63 -2.948 -2.785 -2.972 1.00 0.00 C ATOM 956 C LEU A 63 -2.522 -2.763 -1.508 1.00 0.00 C ATOM 957 O LEU A 63 -1.652 -3.530 -1.093 1.00 0.00 O ATOM 958 CB LEU A 63 -3.495 -4.167 -3.335 1.00 0.00 C ATOM 959 CG LEU A 63 -4.356 -4.849 -2.270 1.00 0.00 C ATOM 960 CD1 LEU A 63 -5.790 -4.346 -2.341 1.00 0.00 C ATOM 961 CD2 LEU A 63 -4.310 -6.361 -2.436 1.00 0.00 C ATOM 0 H LEU A 63 -1.120 -3.165 -3.926 1.00 0.00 H new ATOM 0 HA LEU A 63 -3.732 -2.041 -3.114 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -4.086 -4.074 -4.246 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.653 -4.820 -3.566 1.00 0.00 H new ATOM 0 HG LEU A 63 -3.953 -4.599 -1.289 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -6.388 -4.842 -1.576 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -5.807 -3.269 -2.173 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -6.204 -4.566 -3.325 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -4.928 -6.830 -1.670 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -4.688 -6.630 -3.422 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -3.281 -6.707 -2.334 1.00 0.00 H new ATOM 973 N ILE A 64 -3.141 -1.882 -0.730 1.00 0.00 N ATOM 974 CA ILE A 64 -2.827 -1.762 0.689 1.00 0.00 C ATOM 975 C ILE A 64 -3.551 -2.829 1.503 1.00 0.00 C ATOM 976 O ILE A 64 -4.680 -2.622 1.952 1.00 0.00 O ATOM 977 CB ILE A 64 -3.204 -0.372 1.234 1.00 0.00 C ATOM 978 CG1 ILE A 64 -2.395 0.715 0.523 1.00 0.00 C ATOM 979 CG2 ILE A 64 -2.975 -0.313 2.737 1.00 0.00 C ATOM 980 CD1 ILE A 64 -0.899 0.559 0.687 1.00 0.00 C ATOM 0 H ILE A 64 -3.863 -1.241 -1.058 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.750 -1.901 0.787 1.00 0.00 H new ATOM 0 HB ILE A 64 -4.262 -0.196 1.040 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -2.639 0.702 -0.539 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -2.695 1.690 0.907 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -3.246 0.676 3.108 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -3.591 -1.066 3.229 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -1.924 -0.506 2.953 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -0.389 1.364 0.157 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -0.643 0.602 1.746 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -0.586 -0.401 0.276 1.00 0.00 H new ATOM 992 N CYS A 65 -2.895 -3.968 1.692 1.00 0.00 N ATOM 993 CA CYS A 65 -3.476 -5.068 2.454 1.00 0.00 C ATOM 994 C CYS A 65 -3.135 -4.943 3.935 1.00 0.00 C ATOM 995 O CYS A 65 -1.968 -4.811 4.304 1.00 0.00 O ATOM 996 CB CYS A 65 -2.977 -6.409 1.915 1.00 0.00 C ATOM 997 SG CYS A 65 -3.623 -7.847 2.800 1.00 0.00 S ATOM 0 H CYS A 65 -1.960 -4.154 1.328 1.00 0.00 H new ATOM 0 HA CYS A 65 -4.559 -5.021 2.344 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -3.251 -6.490 0.863 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -1.888 -6.425 1.963 1.00 0.00 H new ATOM 0 HG CYS A 65 -4.920 -7.860 2.718 1.00 0.00 H new ATOM 1003 N ALA A 66 -4.161 -4.984 4.779 1.00 0.00 N ATOM 1004 CA ALA A 66 -3.969 -4.876 6.220 1.00 0.00 C ATOM 1005 C ALA A 66 -3.427 -6.178 6.801 1.00 0.00 C ATOM 1006 O ALA A 66 -2.704 -6.171 7.797 1.00 0.00 O ATOM 1007 CB ALA A 66 -5.277 -4.497 6.899 1.00 0.00 C ATOM 0 H ALA A 66 -5.133 -5.091 4.490 1.00 0.00 H new ATOM 0 HA ALA A 66 -3.235 -4.092 6.406 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -5.119 -4.420 7.975 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -5.623 -3.538 6.513 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -6.027 -5.261 6.696 1.00 0.00 H new ATOM 1013 N PHE A 67 -3.782 -7.294 6.173 1.00 0.00 N ATOM 1014 CA PHE A 67 -3.332 -8.604 6.629 1.00 0.00 C ATOM 1015 C PHE A 67 -3.584 -9.667 5.564 1.00 0.00 C ATOM 1016 O PHE A 67 -4.544 -9.579 4.799 1.00 0.00 O ATOM 1017 CB PHE A 67 -4.044 -8.987 7.927 1.00 0.00 C ATOM 1018 CG PHE A 67 -5.423 -8.405 8.049 1.00 0.00 C ATOM 1019 CD1 PHE A 67 -6.510 -9.035 7.464 1.00 0.00 C ATOM 1020 CD2 PHE A 67 -5.634 -7.228 8.749 1.00 0.00 C ATOM 1021 CE1 PHE A 67 -7.780 -8.501 7.574 1.00 0.00 C ATOM 1022 CE2 PHE A 67 -6.901 -6.690 8.863 1.00 0.00 C ATOM 1023 CZ PHE A 67 -7.976 -7.328 8.275 1.00 0.00 C ATOM 0 H PHE A 67 -4.380 -7.317 5.347 1.00 0.00 H new ATOM 0 HA PHE A 67 -2.259 -8.548 6.814 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -4.110 -10.073 7.989 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -3.442 -8.656 8.773 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -6.363 -9.954 6.916 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -4.797 -6.725 9.211 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -8.618 -9.001 7.112 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -7.051 -5.772 9.411 1.00 0.00 H new ATOM 0 HZ PHE A 67 -8.968 -6.910 8.364 1.00 0.00 H new ATOM 1033 N ALA A 68 -2.714 -10.670 5.520 1.00 0.00 N ATOM 1034 CA ALA A 68 -2.843 -11.751 4.551 1.00 0.00 C ATOM 1035 C ALA A 68 -4.062 -12.617 4.851 1.00 0.00 C ATOM 1036 O ALA A 68 -4.843 -12.313 5.752 1.00 0.00 O ATOM 1037 CB ALA A 68 -1.581 -12.601 4.537 1.00 0.00 C ATOM 0 H ALA A 68 -1.912 -10.757 6.144 1.00 0.00 H new ATOM 0 HA ALA A 68 -2.980 -11.306 3.565 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -1.692 -13.404 3.809 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -0.727 -11.980 4.266 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -1.419 -13.028 5.527 1.00 0.00 H new ATOM 1043 N ASN A 69 -4.219 -13.695 4.090 1.00 0.00 N ATOM 1044 CA ASN A 69 -5.344 -14.604 4.275 1.00 0.00 C ATOM 1045 C ASN A 69 -6.670 -13.875 4.078 1.00 0.00 C ATOM 1046 O ASN A 69 -7.623 -14.082 4.830 1.00 0.00 O ATOM 1047 CB ASN A 69 -5.297 -15.231 5.670 1.00 0.00 C ATOM 1048 CG ASN A 69 -4.094 -16.135 5.857 1.00 0.00 C ATOM 1049 OD1 ASN A 69 -4.111 -17.300 5.458 1.00 0.00 O ATOM 1050 ND2 ASN A 69 -3.041 -15.601 6.466 1.00 0.00 N ATOM 0 H ASN A 69 -3.581 -13.960 3.339 1.00 0.00 H new ATOM 0 HA ASN A 69 -5.268 -15.393 3.527 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -5.274 -14.440 6.420 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -6.209 -15.804 5.839 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -2.202 -16.161 6.619 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -3.071 -14.631 6.780 1.00 0.00 H new ATOM 1057 N THR A 70 -6.724 -13.020 3.061 1.00 0.00 N ATOM 1058 CA THR A 70 -7.931 -12.260 2.765 1.00 0.00 C ATOM 1059 C THR A 70 -8.430 -12.548 1.353 1.00 0.00 C ATOM 1060 O THR A 70 -7.688 -13.019 0.491 1.00 0.00 O ATOM 1061 CB THR A 70 -7.692 -10.745 2.913 1.00 0.00 C ATOM 1062 OG1 THR A 70 -6.335 -10.429 2.583 1.00 0.00 O ATOM 1063 CG2 THR A 70 -7.995 -10.286 4.331 1.00 0.00 C ATOM 0 H THR A 70 -5.945 -12.837 2.429 1.00 0.00 H new ATOM 0 HA THR A 70 -8.686 -12.574 3.486 1.00 0.00 H new ATOM 0 HB THR A 70 -8.362 -10.225 2.229 1.00 0.00 H new ATOM 0 HG1 THR A 70 -5.858 -10.149 3.392 1.00 0.00 H new ATOM 0 HG21 THR A 70 -7.819 -9.213 4.412 1.00 0.00 H new ATOM 0 HG22 THR A 70 -9.037 -10.502 4.569 1.00 0.00 H new ATOM 0 HG23 THR A 70 -7.347 -10.814 5.031 1.00 0.00 H new ATOM 1071 N PRO A 71 -9.717 -12.260 1.109 1.00 0.00 N ATOM 1072 CA PRO A 71 -10.343 -12.479 -0.198 1.00 0.00 C ATOM 1073 C PRO A 71 -9.824 -11.515 -1.259 1.00 0.00 C ATOM 1074 O PRO A 71 -9.736 -11.860 -2.437 1.00 0.00 O ATOM 1075 CB PRO A 71 -11.828 -12.227 0.073 1.00 0.00 C ATOM 1076 CG PRO A 71 -11.848 -11.316 1.252 1.00 0.00 C ATOM 1077 CD PRO A 71 -10.660 -11.697 2.090 1.00 0.00 C ATOM 0 HA PRO A 71 -10.130 -13.474 -0.590 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -12.316 -11.771 -0.788 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -12.356 -13.157 0.282 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -11.787 -10.273 0.940 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -12.775 -11.427 1.815 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -10.237 -10.834 2.604 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -10.926 -12.426 2.856 1.00 0.00 H new ATOM 1085 N LYS A 72 -9.480 -10.304 -0.833 1.00 0.00 N ATOM 1086 CA LYS A 72 -8.967 -9.289 -1.746 1.00 0.00 C ATOM 1087 C LYS A 72 -7.474 -9.483 -1.992 1.00 0.00 C ATOM 1088 O LYS A 72 -6.959 -9.129 -3.053 1.00 0.00 O ATOM 1089 CB LYS A 72 -9.224 -7.890 -1.182 1.00 0.00 C ATOM 1090 CG LYS A 72 -8.605 -6.777 -2.009 1.00 0.00 C ATOM 1091 CD LYS A 72 -9.467 -6.431 -3.212 1.00 0.00 C ATOM 1092 CE LYS A 72 -10.477 -5.343 -2.879 1.00 0.00 C ATOM 1093 NZ LYS A 72 -9.862 -3.987 -2.911 1.00 0.00 N ATOM 0 H LYS A 72 -9.547 -10.002 0.139 1.00 0.00 H new ATOM 0 HA LYS A 72 -9.490 -9.393 -2.696 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -10.300 -7.726 -1.115 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -8.830 -7.839 -0.167 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -8.473 -5.891 -1.388 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -7.614 -7.081 -2.346 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -8.831 -6.100 -4.033 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -9.991 -7.323 -3.554 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -11.303 -5.384 -3.589 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -10.897 -5.528 -1.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -9.999 -3.522 -1.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -8.844 -4.072 -3.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -10.313 -3.419 -3.656 1.00 0.00 H new ATOM 1107 N TYR A 73 -6.785 -10.047 -1.006 1.00 0.00 N ATOM 1108 CA TYR A 73 -5.351 -10.287 -1.116 1.00 0.00 C ATOM 1109 C TYR A 73 -5.047 -11.256 -2.254 1.00 0.00 C ATOM 1110 O TYR A 73 -4.115 -11.047 -3.030 1.00 0.00 O ATOM 1111 CB TYR A 73 -4.803 -10.839 0.201 1.00 0.00 C ATOM 1112 CG TYR A 73 -3.586 -11.719 0.028 1.00 0.00 C ATOM 1113 CD1 TYR A 73 -3.716 -13.058 -0.323 1.00 0.00 C ATOM 1114 CD2 TYR A 73 -2.306 -11.213 0.216 1.00 0.00 C ATOM 1115 CE1 TYR A 73 -2.607 -13.866 -0.481 1.00 0.00 C ATOM 1116 CE2 TYR A 73 -1.191 -12.014 0.059 1.00 0.00 C ATOM 1117 CZ TYR A 73 -1.347 -13.339 -0.290 1.00 0.00 C ATOM 1118 OH TYR A 73 -0.239 -14.140 -0.446 1.00 0.00 O ATOM 0 H TYR A 73 -7.196 -10.346 -0.122 1.00 0.00 H new ATOM 0 HA TYR A 73 -4.864 -9.336 -1.334 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -4.549 -10.006 0.857 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -5.586 -11.410 0.700 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -4.701 -13.474 -0.475 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -2.180 -10.176 0.490 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -2.726 -14.905 -0.753 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -0.203 -11.605 0.209 1.00 0.00 H new ATOM 0 HH TYR A 73 0.571 -13.615 -0.277 1.00 0.00 H new ATOM 1128 N SER A 74 -5.840 -12.319 -2.346 1.00 0.00 N ATOM 1129 CA SER A 74 -5.655 -13.324 -3.386 1.00 0.00 C ATOM 1130 C SER A 74 -6.319 -12.887 -4.688 1.00 0.00 C ATOM 1131 O SER A 74 -6.118 -13.501 -5.735 1.00 0.00 O ATOM 1132 CB SER A 74 -6.228 -14.668 -2.933 1.00 0.00 C ATOM 1133 OG SER A 74 -5.247 -15.441 -2.264 1.00 0.00 O ATOM 0 H SER A 74 -6.617 -12.506 -1.712 1.00 0.00 H new ATOM 0 HA SER A 74 -4.585 -13.435 -3.564 1.00 0.00 H new ATOM 0 HB2 SER A 74 -7.077 -14.500 -2.271 1.00 0.00 H new ATOM 0 HB3 SER A 74 -6.601 -15.217 -3.797 1.00 0.00 H new ATOM 0 HG SER A 74 -4.667 -14.850 -1.739 1.00 0.00 H new ATOM 1139 N GLN A 75 -7.112 -11.823 -4.612 1.00 0.00 N ATOM 1140 CA GLN A 75 -7.807 -11.304 -5.784 1.00 0.00 C ATOM 1141 C GLN A 75 -6.871 -10.462 -6.644 1.00 0.00 C ATOM 1142 O GLN A 75 -6.987 -10.441 -7.870 1.00 0.00 O ATOM 1143 CB GLN A 75 -9.016 -10.469 -5.358 1.00 0.00 C ATOM 1144 CG GLN A 75 -9.817 -9.917 -6.526 1.00 0.00 C ATOM 1145 CD GLN A 75 -11.019 -9.109 -6.080 1.00 0.00 C ATOM 1146 OE1 GLN A 75 -10.788 -7.851 -5.724 1.00 0.00 O flip ATOM 1147 NE2 GLN A 75 -12.144 -9.610 -6.055 1.00 0.00 N flip ATOM 0 H GLN A 75 -7.289 -11.304 -3.752 1.00 0.00 H new ATOM 0 HA GLN A 75 -8.150 -12.152 -6.376 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -9.670 -11.082 -4.737 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -8.674 -9.640 -4.739 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -9.171 -9.290 -7.141 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -10.152 -10.742 -7.154 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -12.276 -10.581 -6.337 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -12.943 -9.054 -5.752 1.00 0.00 H new ATOM 1156 N VAL A 76 -5.942 -9.767 -5.994 1.00 0.00 N ATOM 1157 CA VAL A 76 -4.985 -8.924 -6.700 1.00 0.00 C ATOM 1158 C VAL A 76 -3.694 -9.682 -6.990 1.00 0.00 C ATOM 1159 O VAL A 76 -2.877 -9.250 -7.805 1.00 0.00 O ATOM 1160 CB VAL A 76 -4.651 -7.656 -5.891 1.00 0.00 C ATOM 1161 CG1 VAL A 76 -3.749 -6.732 -6.695 1.00 0.00 C ATOM 1162 CG2 VAL A 76 -5.927 -6.940 -5.474 1.00 0.00 C ATOM 0 H VAL A 76 -5.832 -9.772 -4.980 1.00 0.00 H new ATOM 0 HA VAL A 76 -5.452 -8.634 -7.641 1.00 0.00 H new ATOM 0 HB VAL A 76 -4.116 -7.951 -4.989 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -3.524 -5.842 -6.108 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -2.822 -7.250 -6.939 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -4.254 -6.441 -7.616 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -5.673 -6.047 -4.903 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -6.491 -6.655 -6.362 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -6.532 -7.604 -4.857 1.00 0.00 H new ATOM 1172 N LEU A 77 -3.516 -10.815 -6.320 1.00 0.00 N ATOM 1173 CA LEU A 77 -2.325 -11.635 -6.507 1.00 0.00 C ATOM 1174 C LEU A 77 -2.340 -12.315 -7.872 1.00 0.00 C ATOM 1175 O LEU A 77 -1.307 -12.433 -8.529 1.00 0.00 O ATOM 1176 CB LEU A 77 -2.228 -12.688 -5.401 1.00 0.00 C ATOM 1177 CG LEU A 77 -1.112 -13.722 -5.554 1.00 0.00 C ATOM 1178 CD1 LEU A 77 0.251 -13.059 -5.427 1.00 0.00 C ATOM 1179 CD2 LEU A 77 -1.267 -14.831 -4.524 1.00 0.00 C ATOM 0 H LEU A 77 -4.182 -11.187 -5.642 1.00 0.00 H new ATOM 0 HA LEU A 77 -1.453 -10.982 -6.457 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.092 -12.175 -4.449 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.180 -13.216 -5.345 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.186 -14.164 -6.547 1.00 0.00 H new ATOM 0 HD11 LEU A 77 1.033 -13.810 -5.539 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.361 -12.302 -6.204 1.00 0.00 H new ATOM 0 HD13 LEU A 77 0.337 -12.589 -4.447 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -0.464 -15.558 -4.648 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.220 -14.406 -3.522 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -2.228 -15.325 -4.663 1.00 0.00 H new ATOM 1191 N GLY A 78 -3.520 -12.760 -8.293 1.00 0.00 N ATOM 1192 CA GLY A 78 -3.648 -13.421 -9.578 1.00 0.00 C ATOM 1193 C GLY A 78 -3.692 -12.440 -10.733 1.00 0.00 C ATOM 1194 O GLY A 78 -3.119 -12.691 -11.794 1.00 0.00 O ATOM 0 H GLY A 78 -4.390 -12.674 -7.767 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -2.810 -14.104 -9.717 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -4.555 -14.025 -9.584 1.00 0.00 H new ATOM 1198 N LEU A 79 -4.375 -11.319 -10.529 1.00 0.00 N ATOM 1199 CA LEU A 79 -4.493 -10.296 -11.562 1.00 0.00 C ATOM 1200 C LEU A 79 -3.117 -9.846 -12.043 1.00 0.00 C ATOM 1201 O LEU A 79 -2.857 -9.788 -13.244 1.00 0.00 O ATOM 1202 CB LEU A 79 -5.278 -9.095 -11.031 1.00 0.00 C ATOM 1203 CG LEU A 79 -6.775 -9.315 -10.813 1.00 0.00 C ATOM 1204 CD1 LEU A 79 -7.338 -8.262 -9.871 1.00 0.00 C ATOM 1205 CD2 LEU A 79 -7.517 -9.294 -12.142 1.00 0.00 C ATOM 0 H LEU A 79 -4.856 -11.095 -9.658 1.00 0.00 H new ATOM 0 HA LEU A 79 -5.029 -10.728 -12.407 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.835 -8.787 -10.084 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -5.151 -8.266 -11.728 1.00 0.00 H new ATOM 0 HG LEU A 79 -6.915 -10.295 -10.356 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -8.405 -8.435 -9.728 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -6.828 -8.324 -8.910 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -7.185 -7.271 -10.300 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -8.581 -9.452 -11.967 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -7.368 -8.329 -12.626 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -7.133 -10.086 -12.785 1.00 0.00 H new ATOM 1217 N GLY A 80 -2.239 -9.531 -11.097 1.00 0.00 N ATOM 1218 CA GLY A 80 -0.899 -9.093 -11.444 1.00 0.00 C ATOM 1219 C GLY A 80 -0.506 -7.812 -10.735 1.00 0.00 C ATOM 1220 O GLY A 80 0.505 -7.196 -11.067 1.00 0.00 O ATOM 0 H GLY A 80 -2.431 -9.571 -10.096 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -0.186 -9.878 -11.191 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -0.837 -8.942 -12.522 1.00 0.00 H new ATOM 1224 N GLY A 81 -1.310 -7.409 -9.755 1.00 0.00 N ATOM 1225 CA GLY A 81 -1.024 -6.194 -9.014 1.00 0.00 C ATOM 1226 C GLY A 81 0.000 -6.411 -7.917 1.00 0.00 C ATOM 1227 O GLY A 81 0.295 -7.548 -7.550 1.00 0.00 O ATOM 0 H GLY A 81 -2.153 -7.902 -9.461 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -0.659 -5.430 -9.701 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -1.947 -5.814 -8.575 1.00 0.00 H new ATOM 1231 N ARG A 82 0.544 -5.317 -7.394 1.00 0.00 N ATOM 1232 CA ARG A 82 1.544 -5.393 -6.336 1.00 0.00 C ATOM 1233 C ARG A 82 0.883 -5.358 -4.961 1.00 0.00 C ATOM 1234 O ARG A 82 0.303 -4.346 -4.565 1.00 0.00 O ATOM 1235 CB ARG A 82 2.542 -4.241 -6.463 1.00 0.00 C ATOM 1236 CG ARG A 82 3.699 -4.325 -5.482 1.00 0.00 C ATOM 1237 CD ARG A 82 4.960 -3.694 -6.051 1.00 0.00 C ATOM 1238 NE ARG A 82 4.662 -2.527 -6.878 1.00 0.00 N ATOM 1239 CZ ARG A 82 5.586 -1.844 -7.545 1.00 0.00 C ATOM 1240 NH1 ARG A 82 6.859 -2.209 -7.482 1.00 0.00 N ATOM 1241 NH2 ARG A 82 5.237 -0.794 -8.277 1.00 0.00 N ATOM 0 H ARG A 82 0.309 -4.368 -7.686 1.00 0.00 H new ATOM 0 HA ARG A 82 2.076 -6.338 -6.441 1.00 0.00 H new ATOM 0 HB2 ARG A 82 2.938 -4.226 -7.478 1.00 0.00 H new ATOM 0 HB3 ARG A 82 2.016 -3.298 -6.312 1.00 0.00 H new ATOM 0 HG2 ARG A 82 3.427 -3.823 -4.553 1.00 0.00 H new ATOM 0 HG3 ARG A 82 3.893 -5.369 -5.235 1.00 0.00 H new ATOM 0 HD2 ARG A 82 5.619 -3.401 -5.234 1.00 0.00 H new ATOM 0 HD3 ARG A 82 5.498 -4.432 -6.646 1.00 0.00 H new ATOM 0 HE ARG A 82 3.692 -2.220 -6.947 1.00 0.00 H new ATOM 0 HH11 ARG A 82 7.131 -3.016 -6.920 1.00 0.00 H new ATOM 0 HH12 ARG A 82 7.566 -1.683 -7.995 1.00 0.00 H new ATOM 0 HH21 ARG A 82 4.259 -0.510 -8.328 1.00 0.00 H new ATOM 0 HH22 ARG A 82 5.947 -0.270 -8.789 1.00 0.00 H new ATOM 1255 N ILE A 83 0.974 -6.469 -4.238 1.00 0.00 N ATOM 1256 CA ILE A 83 0.386 -6.565 -2.907 1.00 0.00 C ATOM 1257 C ILE A 83 1.418 -6.258 -1.827 1.00 0.00 C ATOM 1258 O ILE A 83 2.392 -6.990 -1.658 1.00 0.00 O ATOM 1259 CB ILE A 83 -0.206 -7.963 -2.653 1.00 0.00 C ATOM 1260 CG1 ILE A 83 -1.065 -8.401 -3.841 1.00 0.00 C ATOM 1261 CG2 ILE A 83 -1.025 -7.967 -1.371 1.00 0.00 C ATOM 1262 CD1 ILE A 83 -1.380 -9.881 -3.847 1.00 0.00 C ATOM 0 H ILE A 83 1.449 -7.315 -4.551 1.00 0.00 H new ATOM 0 HA ILE A 83 -0.415 -5.827 -2.861 1.00 0.00 H new ATOM 0 HB ILE A 83 0.614 -8.673 -2.540 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -1.999 -7.839 -3.830 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -0.549 -8.144 -4.766 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -1.437 -8.963 -1.205 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -0.387 -7.694 -0.531 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -1.839 -7.247 -1.457 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -1.992 -10.119 -4.717 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -0.452 -10.450 -3.889 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -1.924 -10.141 -2.939 1.00 0.00 H new ATOM 1274 N VAL A 84 1.195 -5.170 -1.096 1.00 0.00 N ATOM 1275 CA VAL A 84 2.103 -4.767 -0.029 1.00 0.00 C ATOM 1276 C VAL A 84 1.340 -4.448 1.251 1.00 0.00 C ATOM 1277 O VAL A 84 0.141 -4.169 1.218 1.00 0.00 O ATOM 1278 CB VAL A 84 2.937 -3.537 -0.436 1.00 0.00 C ATOM 1279 CG1 VAL A 84 3.936 -3.905 -1.522 1.00 0.00 C ATOM 1280 CG2 VAL A 84 2.029 -2.407 -0.896 1.00 0.00 C ATOM 0 H VAL A 84 0.393 -4.552 -1.223 1.00 0.00 H new ATOM 0 HA VAL A 84 2.773 -5.608 0.151 1.00 0.00 H new ATOM 0 HB VAL A 84 3.494 -3.193 0.435 1.00 0.00 H new ATOM 0 HG11 VAL A 84 4.516 -3.024 -1.797 1.00 0.00 H new ATOM 0 HG12 VAL A 84 4.607 -4.680 -1.152 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.402 -4.275 -2.397 1.00 0.00 H new ATOM 0 HG21 VAL A 84 2.635 -1.546 -1.180 1.00 0.00 H new ATOM 0 HG22 VAL A 84 1.443 -2.737 -1.754 1.00 0.00 H new ATOM 0 HG23 VAL A 84 1.357 -2.127 -0.085 1.00 0.00 H new ATOM 1290 N ARG A 85 2.042 -4.491 2.379 1.00 0.00 N ATOM 1291 CA ARG A 85 1.430 -4.208 3.672 1.00 0.00 C ATOM 1292 C ARG A 85 1.193 -2.710 3.844 1.00 0.00 C ATOM 1293 O ARG A 85 1.547 -1.911 2.977 1.00 0.00 O ATOM 1294 CB ARG A 85 2.316 -4.728 4.804 1.00 0.00 C ATOM 1295 CG ARG A 85 2.166 -6.219 5.060 1.00 0.00 C ATOM 1296 CD ARG A 85 3.376 -6.784 5.787 1.00 0.00 C ATOM 1297 NE ARG A 85 3.221 -6.721 7.238 1.00 0.00 N ATOM 1298 CZ ARG A 85 4.187 -7.034 8.095 1.00 0.00 C ATOM 1299 NH1 ARG A 85 5.371 -7.429 7.648 1.00 0.00 N ATOM 1300 NH2 ARG A 85 3.970 -6.951 9.401 1.00 0.00 N ATOM 0 H ARG A 85 3.035 -4.719 2.424 1.00 0.00 H new ATOM 0 HA ARG A 85 0.467 -4.718 3.710 1.00 0.00 H new ATOM 0 HB2 ARG A 85 3.358 -4.512 4.567 1.00 0.00 H new ATOM 0 HB3 ARG A 85 2.078 -4.185 5.719 1.00 0.00 H new ATOM 0 HG2 ARG A 85 1.268 -6.399 5.651 1.00 0.00 H new ATOM 0 HG3 ARG A 85 2.033 -6.740 4.112 1.00 0.00 H new ATOM 0 HD2 ARG A 85 3.530 -7.819 5.484 1.00 0.00 H new ATOM 0 HD3 ARG A 85 4.267 -6.229 5.493 1.00 0.00 H new ATOM 0 HE ARG A 85 2.322 -6.420 7.614 1.00 0.00 H new ATOM 0 HH11 ARG A 85 5.542 -7.493 6.644 1.00 0.00 H new ATOM 0 HH12 ARG A 85 6.111 -7.669 8.308 1.00 0.00 H new ATOM 0 HH21 ARG A 85 3.061 -6.647 9.749 1.00 0.00 H new ATOM 0 HH22 ARG A 85 4.712 -7.192 10.058 1.00 0.00 H new ATOM 1314 N LYS A 86 0.590 -2.338 4.968 1.00 0.00 N ATOM 1315 CA LYS A 86 0.305 -0.937 5.256 1.00 0.00 C ATOM 1316 C LYS A 86 1.557 -0.217 5.749 1.00 0.00 C ATOM 1317 O LYS A 86 1.734 0.975 5.503 1.00 0.00 O ATOM 1318 CB LYS A 86 -0.806 -0.826 6.302 1.00 0.00 C ATOM 1319 CG LYS A 86 -0.572 -1.688 7.531 1.00 0.00 C ATOM 1320 CD LYS A 86 -1.419 -1.226 8.705 1.00 0.00 C ATOM 1321 CE LYS A 86 -1.010 -1.921 9.995 1.00 0.00 C ATOM 1322 NZ LYS A 86 -1.518 -3.320 10.056 1.00 0.00 N ATOM 0 H LYS A 86 0.289 -2.987 5.695 1.00 0.00 H new ATOM 0 HA LYS A 86 -0.026 -0.462 4.332 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -0.900 0.215 6.611 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -1.754 -1.110 5.845 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -0.807 -2.727 7.298 1.00 0.00 H new ATOM 0 HG3 LYS A 86 0.482 -1.653 7.806 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -1.320 -0.147 8.824 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -2.470 -1.428 8.499 1.00 0.00 H new ATOM 0 HE2 LYS A 86 0.077 -1.925 10.076 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -1.391 -1.359 10.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -1.218 -3.759 10.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -2.557 -3.315 10.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -1.134 -3.864 9.257 1.00 0.00 H new ATOM 1336 N GLU A 87 2.421 -0.951 6.444 1.00 0.00 N ATOM 1337 CA GLU A 87 3.655 -0.381 6.970 1.00 0.00 C ATOM 1338 C GLU A 87 4.308 0.542 5.945 1.00 0.00 C ATOM 1339 O GLU A 87 4.981 1.509 6.305 1.00 0.00 O ATOM 1340 CB GLU A 87 4.629 -1.493 7.364 1.00 0.00 C ATOM 1341 CG GLU A 87 4.358 -2.081 8.739 1.00 0.00 C ATOM 1342 CD GLU A 87 5.202 -3.307 9.026 1.00 0.00 C ATOM 1343 OE1 GLU A 87 4.811 -4.412 8.595 1.00 0.00 O ATOM 1344 OE2 GLU A 87 6.255 -3.162 9.683 1.00 0.00 O ATOM 0 H GLU A 87 2.289 -1.940 6.655 1.00 0.00 H new ATOM 0 HA GLU A 87 3.406 0.205 7.855 1.00 0.00 H new ATOM 0 HB2 GLU A 87 4.578 -2.289 6.621 1.00 0.00 H new ATOM 0 HB3 GLU A 87 5.645 -1.100 7.340 1.00 0.00 H new ATOM 0 HG2 GLU A 87 4.553 -1.324 9.499 1.00 0.00 H new ATOM 0 HG3 GLU A 87 3.303 -2.345 8.816 1.00 0.00 H new ATOM 1351 N TRP A 88 4.106 0.236 4.669 1.00 0.00 N ATOM 1352 CA TRP A 88 4.675 1.038 3.592 1.00 0.00 C ATOM 1353 C TRP A 88 4.186 2.480 3.669 1.00 0.00 C ATOM 1354 O TRP A 88 4.977 3.420 3.577 1.00 0.00 O ATOM 1355 CB TRP A 88 4.312 0.436 2.233 1.00 0.00 C ATOM 1356 CG TRP A 88 4.889 1.192 1.075 1.00 0.00 C ATOM 1357 CD1 TRP A 88 6.176 1.627 0.939 1.00 0.00 C ATOM 1358 CD2 TRP A 88 4.197 1.604 -0.109 1.00 0.00 C ATOM 1359 NE1 TRP A 88 6.326 2.285 -0.258 1.00 0.00 N ATOM 1360 CE2 TRP A 88 5.127 2.283 -0.920 1.00 0.00 C ATOM 1361 CE3 TRP A 88 2.883 1.463 -0.564 1.00 0.00 C ATOM 1362 CZ2 TRP A 88 4.782 2.820 -2.158 1.00 0.00 C ATOM 1363 CZ3 TRP A 88 2.543 1.996 -1.793 1.00 0.00 C ATOM 1364 CH2 TRP A 88 3.489 2.667 -2.578 1.00 0.00 C ATOM 0 H TRP A 88 3.553 -0.561 4.355 1.00 0.00 H new ATOM 0 HA TRP A 88 5.759 1.035 3.705 1.00 0.00 H new ATOM 0 HB2 TRP A 88 4.663 -0.595 2.195 1.00 0.00 H new ATOM 0 HB3 TRP A 88 3.227 0.407 2.135 1.00 0.00 H new ATOM 0 HD1 TRP A 88 6.961 1.476 1.665 1.00 0.00 H new ATOM 0 HE1 TRP A 88 7.190 2.707 -0.598 1.00 0.00 H new ATOM 0 HE3 TRP A 88 2.147 0.947 0.034 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 5.509 3.339 -2.765 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 1.530 1.893 -2.154 1.00 0.00 H new ATOM 0 HH2 TRP A 88 3.192 3.072 -3.534 1.00 0.00 H new ATOM 1375 N VAL A 89 2.879 2.649 3.839 1.00 0.00 N ATOM 1376 CA VAL A 89 2.285 3.977 3.930 1.00 0.00 C ATOM 1377 C VAL A 89 2.638 4.647 5.254 1.00 0.00 C ATOM 1378 O VAL A 89 3.186 5.750 5.277 1.00 0.00 O ATOM 1379 CB VAL A 89 0.752 3.918 3.790 1.00 0.00 C ATOM 1380 CG1 VAL A 89 0.141 5.291 4.022 1.00 0.00 C ATOM 1381 CG2 VAL A 89 0.363 3.377 2.423 1.00 0.00 C ATOM 0 H VAL A 89 2.211 1.882 3.917 1.00 0.00 H new ATOM 0 HA VAL A 89 2.695 4.564 3.108 1.00 0.00 H new ATOM 0 HB VAL A 89 0.361 3.240 4.549 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -0.942 5.229 3.919 1.00 0.00 H new ATOM 0 HG12 VAL A 89 0.391 5.636 5.025 1.00 0.00 H new ATOM 0 HG13 VAL A 89 0.536 5.994 3.288 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -0.723 3.342 2.341 1.00 0.00 H new ATOM 0 HG22 VAL A 89 0.765 4.028 1.646 1.00 0.00 H new ATOM 0 HG23 VAL A 89 0.769 2.373 2.300 1.00 0.00 H new ATOM 1391 N LEU A 90 2.320 3.974 6.354 1.00 0.00 N ATOM 1392 CA LEU A 90 2.604 4.504 7.683 1.00 0.00 C ATOM 1393 C LEU A 90 4.009 5.095 7.745 1.00 0.00 C ATOM 1394 O LEU A 90 4.188 6.258 8.109 1.00 0.00 O ATOM 1395 CB LEU A 90 2.455 3.403 8.735 1.00 0.00 C ATOM 1396 CG LEU A 90 1.084 2.730 8.812 1.00 0.00 C ATOM 1397 CD1 LEU A 90 1.119 1.558 9.781 1.00 0.00 C ATOM 1398 CD2 LEU A 90 0.019 3.735 9.226 1.00 0.00 C ATOM 0 H LEU A 90 1.866 3.061 6.352 1.00 0.00 H new ATOM 0 HA LEU A 90 1.886 5.298 7.892 1.00 0.00 H new ATOM 0 HB2 LEU A 90 3.204 2.636 8.538 1.00 0.00 H new ATOM 0 HB3 LEU A 90 2.684 3.828 9.712 1.00 0.00 H new ATOM 0 HG LEU A 90 0.831 2.350 7.822 1.00 0.00 H new ATOM 0 HD11 LEU A 90 0.135 1.091 9.823 1.00 0.00 H new ATOM 0 HD12 LEU A 90 1.853 0.827 9.442 1.00 0.00 H new ATOM 0 HD13 LEU A 90 1.394 1.915 10.774 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -0.950 3.239 9.276 1.00 0.00 H new ATOM 0 HD22 LEU A 90 0.267 4.145 10.205 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -0.024 4.542 8.494 1.00 0.00 H new ATOM 1410 N ASP A 91 5.001 4.288 7.386 1.00 0.00 N ATOM 1411 CA ASP A 91 6.390 4.733 7.398 1.00 0.00 C ATOM 1412 C ASP A 91 6.611 5.851 6.384 1.00 0.00 C ATOM 1413 O ASP A 91 7.253 6.857 6.685 1.00 0.00 O ATOM 1414 CB ASP A 91 7.325 3.561 7.095 1.00 0.00 C ATOM 1415 CG ASP A 91 7.637 2.736 8.329 1.00 0.00 C ATOM 1416 OD1 ASP A 91 8.440 3.200 9.165 1.00 0.00 O ATOM 1417 OD2 ASP A 91 7.078 1.628 8.458 1.00 0.00 O ATOM 0 H ASP A 91 4.870 3.323 7.083 1.00 0.00 H new ATOM 0 HA ASP A 91 6.614 5.119 8.392 1.00 0.00 H new ATOM 0 HB2 ASP A 91 6.868 2.921 6.340 1.00 0.00 H new ATOM 0 HB3 ASP A 91 8.254 3.941 6.671 1.00 0.00 H new ATOM 1422 N CYS A 92 6.077 5.666 5.182 1.00 0.00 N ATOM 1423 CA CYS A 92 6.218 6.659 4.122 1.00 0.00 C ATOM 1424 C CYS A 92 5.836 8.048 4.624 1.00 0.00 C ATOM 1425 O CYS A 92 6.592 8.994 4.409 1.00 0.00 O ATOM 1426 CB CYS A 92 5.349 6.280 2.922 1.00 0.00 C ATOM 1427 SG CYS A 92 6.161 5.177 1.741 1.00 0.00 S ATOM 0 H CYS A 92 5.543 4.839 4.917 1.00 0.00 H new ATOM 0 HA CYS A 92 7.263 6.679 3.813 1.00 0.00 H new ATOM 0 HB2 CYS A 92 4.439 5.801 3.283 1.00 0.00 H new ATOM 0 HB3 CYS A 92 5.047 7.190 2.404 1.00 0.00 H new ATOM 0 HG CYS A 92 5.958 3.942 2.091 1.00 0.00 H new ATOM 1433 N HIS A 93 4.684 8.139 5.272 1.00 0.00 N ATOM 1434 CA HIS A 93 4.218 9.413 5.793 1.00 0.00 C ATOM 1435 C HIS A 93 5.056 9.807 7.010 1.00 0.00 C ATOM 1436 O HIS A 93 5.727 10.839 7.034 1.00 0.00 O ATOM 1437 CB HIS A 93 2.719 9.359 6.097 1.00 0.00 C ATOM 1438 CG HIS A 93 2.072 10.717 6.235 1.00 0.00 C ATOM 1439 ND1 HIS A 93 1.675 11.238 7.454 1.00 0.00 N ATOM 1440 CD2 HIS A 93 1.757 11.653 5.295 1.00 0.00 C ATOM 1441 CE1 HIS A 93 1.146 12.435 7.245 1.00 0.00 C ATOM 1442 NE2 HIS A 93 1.197 12.690 5.906 1.00 0.00 N ATOM 0 H HIS A 93 4.060 7.352 5.448 1.00 0.00 H new ATOM 0 HA HIS A 93 4.349 10.189 5.039 1.00 0.00 H new ATOM 0 HB2 HIS A 93 2.217 8.808 5.302 1.00 0.00 H new ATOM 0 HB3 HIS A 93 2.565 8.799 7.019 1.00 0.00 H new ATOM 0 HD1 HIS A 93 1.773 10.779 8.359 1.00 0.00 H new ATOM 0 HD2 HIS A 93 1.933 11.566 4.233 1.00 0.00 H new ATOM 0 HE1 HIS A 93 0.745 13.093 8.002 1.00 0.00 H new ATOM 1450 N ARG A 94 5.003 8.955 8.029 1.00 0.00 N ATOM 1451 CA ARG A 94 5.746 9.190 9.261 1.00 0.00 C ATOM 1452 C ARG A 94 7.141 9.731 8.961 1.00 0.00 C ATOM 1453 O ARG A 94 7.649 10.594 9.675 1.00 0.00 O ATOM 1454 CB ARG A 94 5.853 7.897 10.072 1.00 0.00 C ATOM 1455 CG ARG A 94 6.302 8.113 11.507 1.00 0.00 C ATOM 1456 CD ARG A 94 5.119 8.371 12.428 1.00 0.00 C ATOM 1457 NE ARG A 94 5.497 8.300 13.837 1.00 0.00 N ATOM 1458 CZ ARG A 94 6.253 9.209 14.442 1.00 0.00 C ATOM 1459 NH1 ARG A 94 6.710 10.254 13.765 1.00 0.00 N ATOM 1460 NH2 ARG A 94 6.554 9.075 15.727 1.00 0.00 N ATOM 0 H ARG A 94 4.453 8.096 8.025 1.00 0.00 H new ATOM 0 HA ARG A 94 5.204 9.934 9.845 1.00 0.00 H new ATOM 0 HB2 ARG A 94 4.884 7.399 10.075 1.00 0.00 H new ATOM 0 HB3 ARG A 94 6.555 7.225 9.578 1.00 0.00 H new ATOM 0 HG2 ARG A 94 6.850 7.237 11.854 1.00 0.00 H new ATOM 0 HG3 ARG A 94 6.990 8.957 11.551 1.00 0.00 H new ATOM 0 HD2 ARG A 94 4.701 9.355 12.214 1.00 0.00 H new ATOM 0 HD3 ARG A 94 4.336 7.640 12.225 1.00 0.00 H new ATOM 0 HE ARG A 94 5.162 7.509 14.387 1.00 0.00 H new ATOM 0 HH11 ARG A 94 6.481 10.361 12.777 1.00 0.00 H new ATOM 0 HH12 ARG A 94 7.290 10.950 14.233 1.00 0.00 H new ATOM 0 HH21 ARG A 94 6.205 8.273 16.252 1.00 0.00 H new ATOM 0 HH22 ARG A 94 7.135 9.774 16.190 1.00 0.00 H new ATOM 1474 N MET A 95 7.753 9.217 7.899 1.00 0.00 N ATOM 1475 CA MET A 95 9.089 9.649 7.504 1.00 0.00 C ATOM 1476 C MET A 95 9.016 10.692 6.393 1.00 0.00 C ATOM 1477 O MET A 95 9.996 11.381 6.111 1.00 0.00 O ATOM 1478 CB MET A 95 9.920 8.451 7.042 1.00 0.00 C ATOM 1479 CG MET A 95 10.065 7.368 8.098 1.00 0.00 C ATOM 1480 SD MET A 95 11.608 6.448 7.943 1.00 0.00 S ATOM 1481 CE MET A 95 10.988 4.795 7.640 1.00 0.00 C ATOM 0 H MET A 95 7.346 8.501 7.297 1.00 0.00 H new ATOM 0 HA MET A 95 9.569 10.101 8.372 1.00 0.00 H new ATOM 0 HB2 MET A 95 9.459 8.021 6.153 1.00 0.00 H new ATOM 0 HB3 MET A 95 10.911 8.798 6.751 1.00 0.00 H new ATOM 0 HG2 MET A 95 10.015 7.822 9.088 1.00 0.00 H new ATOM 0 HG3 MET A 95 9.225 6.677 8.022 1.00 0.00 H new ATOM 0 HE1 MET A 95 11.381 4.115 8.396 1.00 0.00 H new ATOM 0 HE2 MET A 95 9.899 4.800 7.688 1.00 0.00 H new ATOM 0 HE3 MET A 95 11.306 4.462 6.652 1.00 0.00 H new ATOM 1491 N ARG A 96 7.850 10.801 5.765 1.00 0.00 N ATOM 1492 CA ARG A 96 7.651 11.758 4.684 1.00 0.00 C ATOM 1493 C ARG A 96 8.691 11.562 3.585 1.00 0.00 C ATOM 1494 O ARG A 96 9.278 12.525 3.093 1.00 0.00 O ATOM 1495 CB ARG A 96 7.724 13.189 5.220 1.00 0.00 C ATOM 1496 CG ARG A 96 7.069 13.363 6.580 1.00 0.00 C ATOM 1497 CD ARG A 96 6.987 14.829 6.976 1.00 0.00 C ATOM 1498 NE ARG A 96 6.704 14.998 8.398 1.00 0.00 N ATOM 1499 CZ ARG A 96 6.162 16.095 8.915 1.00 0.00 C ATOM 1500 NH1 ARG A 96 5.846 17.115 8.129 1.00 0.00 N ATOM 1501 NH2 ARG A 96 5.935 16.173 10.220 1.00 0.00 N ATOM 0 H ARG A 96 7.029 10.238 5.986 1.00 0.00 H new ATOM 0 HA ARG A 96 6.662 11.586 4.259 1.00 0.00 H new ATOM 0 HB2 ARG A 96 8.769 13.490 5.288 1.00 0.00 H new ATOM 0 HB3 ARG A 96 7.245 13.860 4.507 1.00 0.00 H new ATOM 0 HG2 ARG A 96 6.067 12.934 6.560 1.00 0.00 H new ATOM 0 HG3 ARG A 96 7.636 12.813 7.331 1.00 0.00 H new ATOM 0 HD2 ARG A 96 7.928 15.323 6.733 1.00 0.00 H new ATOM 0 HD3 ARG A 96 6.209 15.319 6.391 1.00 0.00 H new ATOM 0 HE ARG A 96 6.935 14.231 9.030 1.00 0.00 H new ATOM 0 HH11 ARG A 96 6.019 17.058 7.125 1.00 0.00 H new ATOM 0 HH12 ARG A 96 5.430 17.956 8.528 1.00 0.00 H new ATOM 0 HH21 ARG A 96 6.177 15.390 10.827 1.00 0.00 H new ATOM 0 HH22 ARG A 96 5.519 17.016 10.616 1.00 0.00 H new ATOM 1515 N ARG A 97 8.915 10.307 3.206 1.00 0.00 N ATOM 1516 CA ARG A 97 9.885 9.984 2.168 1.00 0.00 C ATOM 1517 C ARG A 97 9.418 8.792 1.339 1.00 0.00 C ATOM 1518 O ARG A 97 8.345 8.238 1.580 1.00 0.00 O ATOM 1519 CB ARG A 97 11.250 9.682 2.791 1.00 0.00 C ATOM 1520 CG ARG A 97 11.182 8.729 3.972 1.00 0.00 C ATOM 1521 CD ARG A 97 12.552 8.162 4.311 1.00 0.00 C ATOM 1522 NE ARG A 97 13.430 9.170 4.899 1.00 0.00 N ATOM 1523 CZ ARG A 97 14.727 8.979 5.114 1.00 0.00 C ATOM 1524 NH1 ARG A 97 15.293 7.824 4.790 1.00 0.00 N ATOM 1525 NH2 ARG A 97 15.461 9.944 5.654 1.00 0.00 N ATOM 0 H ARG A 97 8.437 9.498 3.603 1.00 0.00 H new ATOM 0 HA ARG A 97 9.976 10.848 1.510 1.00 0.00 H new ATOM 0 HB2 ARG A 97 11.902 9.256 2.028 1.00 0.00 H new ATOM 0 HB3 ARG A 97 11.707 10.617 3.115 1.00 0.00 H new ATOM 0 HG2 ARG A 97 10.779 9.251 4.839 1.00 0.00 H new ATOM 0 HG3 ARG A 97 10.496 7.913 3.744 1.00 0.00 H new ATOM 0 HD2 ARG A 97 12.438 7.330 5.006 1.00 0.00 H new ATOM 0 HD3 ARG A 97 13.013 7.762 3.408 1.00 0.00 H new ATOM 0 HE ARG A 97 13.025 10.070 5.159 1.00 0.00 H new ATOM 0 HH11 ARG A 97 14.732 7.080 4.375 1.00 0.00 H new ATOM 0 HH12 ARG A 97 16.289 7.680 4.956 1.00 0.00 H new ATOM 0 HH21 ARG A 97 15.029 10.834 5.904 1.00 0.00 H new ATOM 0 HH22 ARG A 97 16.457 9.796 5.819 1.00 0.00 H new ATOM 1539 N ARG A 98 10.230 8.403 0.361 1.00 0.00 N ATOM 1540 CA ARG A 98 9.898 7.277 -0.505 1.00 0.00 C ATOM 1541 C ARG A 98 10.633 6.016 -0.062 1.00 0.00 C ATOM 1542 O ARG A 98 11.864 5.964 -0.075 1.00 0.00 O ATOM 1543 CB ARG A 98 10.252 7.603 -1.957 1.00 0.00 C ATOM 1544 CG ARG A 98 10.060 6.432 -2.908 1.00 0.00 C ATOM 1545 CD ARG A 98 9.923 6.901 -4.348 1.00 0.00 C ATOM 1546 NE ARG A 98 9.729 5.785 -5.270 1.00 0.00 N ATOM 1547 CZ ARG A 98 10.727 5.079 -5.790 1.00 0.00 C ATOM 1548 NH1 ARG A 98 11.982 5.371 -5.480 1.00 0.00 N ATOM 1549 NH2 ARG A 98 10.469 4.078 -6.623 1.00 0.00 N ATOM 0 H ARG A 98 11.122 8.850 0.148 1.00 0.00 H new ATOM 0 HA ARG A 98 8.826 7.097 -0.431 1.00 0.00 H new ATOM 0 HB2 ARG A 98 9.637 8.438 -2.293 1.00 0.00 H new ATOM 0 HB3 ARG A 98 11.290 7.932 -2.004 1.00 0.00 H new ATOM 0 HG2 ARG A 98 10.907 5.752 -2.825 1.00 0.00 H new ATOM 0 HG3 ARG A 98 9.171 5.871 -2.621 1.00 0.00 H new ATOM 0 HD2 ARG A 98 9.080 7.588 -4.427 1.00 0.00 H new ATOM 0 HD3 ARG A 98 10.815 7.457 -4.635 1.00 0.00 H new ATOM 0 HE ARG A 98 8.775 5.534 -5.529 1.00 0.00 H new ATOM 0 HH11 ARG A 98 12.184 6.140 -4.841 1.00 0.00 H new ATOM 0 HH12 ARG A 98 12.746 4.827 -5.881 1.00 0.00 H new ATOM 0 HH21 ARG A 98 9.504 3.851 -6.864 1.00 0.00 H new ATOM 0 HH22 ARG A 98 11.236 3.536 -7.022 1.00 0.00 H new ATOM 1563 N LEU A 99 9.872 5.001 0.331 1.00 0.00 N ATOM 1564 CA LEU A 99 10.450 3.739 0.779 1.00 0.00 C ATOM 1565 C LEU A 99 10.247 2.646 -0.265 1.00 0.00 C ATOM 1566 O LEU A 99 9.270 2.642 -1.015 1.00 0.00 O ATOM 1567 CB LEU A 99 9.825 3.312 2.108 1.00 0.00 C ATOM 1568 CG LEU A 99 9.930 4.319 3.254 1.00 0.00 C ATOM 1569 CD1 LEU A 99 9.297 3.759 4.518 1.00 0.00 C ATOM 1570 CD2 LEU A 99 11.384 4.692 3.504 1.00 0.00 C ATOM 0 H LEU A 99 8.852 5.027 0.349 1.00 0.00 H new ATOM 0 HA LEU A 99 11.521 3.888 0.919 1.00 0.00 H new ATOM 0 HB2 LEU A 99 8.771 3.095 1.937 1.00 0.00 H new ATOM 0 HB3 LEU A 99 10.295 2.381 2.425 1.00 0.00 H new ATOM 0 HG LEU A 99 9.387 5.221 2.970 1.00 0.00 H new ATOM 0 HD11 LEU A 99 9.382 4.490 5.322 1.00 0.00 H new ATOM 0 HD12 LEU A 99 8.245 3.543 4.333 1.00 0.00 H new ATOM 0 HD13 LEU A 99 9.810 2.842 4.806 1.00 0.00 H new ATOM 0 HD21 LEU A 99 11.440 5.409 4.323 1.00 0.00 H new ATOM 0 HD22 LEU A 99 11.949 3.798 3.766 1.00 0.00 H new ATOM 0 HD23 LEU A 99 11.806 5.137 2.603 1.00 0.00 H new ATOM 1582 N PRO A 100 11.191 1.693 -0.317 1.00 0.00 N ATOM 1583 CA PRO A 100 11.136 0.576 -1.263 1.00 0.00 C ATOM 1584 C PRO A 100 10.021 -0.410 -0.933 1.00 0.00 C ATOM 1585 O PRO A 100 10.106 -1.155 0.043 1.00 0.00 O ATOM 1586 CB PRO A 100 12.504 -0.092 -1.102 1.00 0.00 C ATOM 1587 CG PRO A 100 12.940 0.264 0.277 1.00 0.00 C ATOM 1588 CD PRO A 100 12.382 1.635 0.546 1.00 0.00 C ATOM 0 HA PRO A 100 10.926 0.912 -2.278 1.00 0.00 H new ATOM 0 HB2 PRO A 100 12.434 -1.172 -1.228 1.00 0.00 H new ATOM 0 HB3 PRO A 100 13.212 0.271 -1.847 1.00 0.00 H new ATOM 0 HG2 PRO A 100 12.567 -0.459 1.003 1.00 0.00 H new ATOM 0 HG3 PRO A 100 14.027 0.263 0.355 1.00 0.00 H new ATOM 0 HD2 PRO A 100 12.124 1.765 1.597 1.00 0.00 H new ATOM 0 HD3 PRO A 100 13.099 2.417 0.295 1.00 0.00 H new ATOM 1596 N SER A 101 8.975 -0.409 -1.754 1.00 0.00 N ATOM 1597 CA SER A 101 7.840 -1.301 -1.546 1.00 0.00 C ATOM 1598 C SER A 101 8.267 -2.761 -1.672 1.00 0.00 C ATOM 1599 O SER A 101 7.547 -3.666 -1.252 1.00 0.00 O ATOM 1600 CB SER A 101 6.732 -0.994 -2.555 1.00 0.00 C ATOM 1601 OG SER A 101 7.265 -0.790 -3.852 1.00 0.00 O ATOM 0 H SER A 101 8.890 0.199 -2.569 1.00 0.00 H new ATOM 0 HA SER A 101 7.460 -1.137 -0.538 1.00 0.00 H new ATOM 0 HB2 SER A 101 6.018 -1.817 -2.577 1.00 0.00 H new ATOM 0 HB3 SER A 101 6.185 -0.106 -2.240 1.00 0.00 H new ATOM 0 HG SER A 101 6.536 -0.597 -4.478 1.00 0.00 H new ATOM 1607 N GLN A 102 9.442 -2.979 -2.252 1.00 0.00 N ATOM 1608 CA GLN A 102 9.965 -4.328 -2.434 1.00 0.00 C ATOM 1609 C GLN A 102 10.178 -5.015 -1.089 1.00 0.00 C ATOM 1610 O GLN A 102 10.081 -6.238 -0.982 1.00 0.00 O ATOM 1611 CB GLN A 102 11.280 -4.288 -3.213 1.00 0.00 C ATOM 1612 CG GLN A 102 11.966 -5.640 -3.320 1.00 0.00 C ATOM 1613 CD GLN A 102 13.470 -5.521 -3.471 1.00 0.00 C ATOM 1614 OE1 GLN A 102 13.964 -4.929 -4.431 1.00 0.00 O ATOM 1615 NE2 GLN A 102 14.208 -6.085 -2.522 1.00 0.00 N ATOM 0 H GLN A 102 10.050 -2.240 -2.604 1.00 0.00 H new ATOM 0 HA GLN A 102 9.232 -4.901 -3.002 1.00 0.00 H new ATOM 0 HB2 GLN A 102 11.087 -3.908 -4.216 1.00 0.00 H new ATOM 0 HB3 GLN A 102 11.957 -3.584 -2.730 1.00 0.00 H new ATOM 0 HG2 GLN A 102 11.739 -6.229 -2.432 1.00 0.00 H new ATOM 0 HG3 GLN A 102 11.561 -6.182 -4.174 1.00 0.00 H new ATOM 0 HE21 GLN A 102 13.757 -6.566 -1.744 1.00 0.00 H new ATOM 0 HE22 GLN A 102 15.226 -6.037 -2.571 1.00 0.00 H new ATOM 1624 N ARG A 103 10.470 -4.221 -0.064 1.00 0.00 N ATOM 1625 CA ARG A 103 10.699 -4.752 1.274 1.00 0.00 C ATOM 1626 C ARG A 103 9.379 -5.105 1.952 1.00 0.00 C ATOM 1627 O ARG A 103 9.318 -6.014 2.780 1.00 0.00 O ATOM 1628 CB ARG A 103 11.467 -3.738 2.125 1.00 0.00 C ATOM 1629 CG ARG A 103 12.977 -3.854 1.996 1.00 0.00 C ATOM 1630 CD ARG A 103 13.689 -2.780 2.803 1.00 0.00 C ATOM 1631 NE ARG A 103 13.652 -3.059 4.236 1.00 0.00 N ATOM 1632 CZ ARG A 103 14.089 -2.211 5.161 1.00 0.00 C ATOM 1633 NH1 ARG A 103 14.594 -1.038 4.804 1.00 0.00 N ATOM 1634 NH2 ARG A 103 14.022 -2.537 6.446 1.00 0.00 N ATOM 0 H ARG A 103 10.554 -3.207 -0.135 1.00 0.00 H new ATOM 0 HA ARG A 103 11.294 -5.661 1.180 1.00 0.00 H new ATOM 0 HB2 ARG A 103 11.163 -2.731 1.838 1.00 0.00 H new ATOM 0 HB3 ARG A 103 11.189 -3.869 3.171 1.00 0.00 H new ATOM 0 HG2 ARG A 103 13.298 -4.839 2.336 1.00 0.00 H new ATOM 0 HG3 ARG A 103 13.261 -3.771 0.947 1.00 0.00 H new ATOM 0 HD2 ARG A 103 14.726 -2.707 2.474 1.00 0.00 H new ATOM 0 HD3 ARG A 103 13.224 -1.813 2.610 1.00 0.00 H new ATOM 0 HE ARG A 103 13.270 -3.953 4.544 1.00 0.00 H new ATOM 0 HH11 ARG A 103 14.648 -0.785 3.817 1.00 0.00 H new ATOM 0 HH12 ARG A 103 14.929 -0.389 5.516 1.00 0.00 H new ATOM 0 HH21 ARG A 103 13.635 -3.439 6.724 1.00 0.00 H new ATOM 0 HH22 ARG A 103 14.358 -1.886 7.156 1.00 0.00 H new ATOM 1648 N TYR A 104 8.324 -4.380 1.595 1.00 0.00 N ATOM 1649 CA TYR A 104 7.006 -4.614 2.171 1.00 0.00 C ATOM 1650 C TYR A 104 6.164 -5.505 1.262 1.00 0.00 C ATOM 1651 O TYR A 104 4.935 -5.500 1.333 1.00 0.00 O ATOM 1652 CB TYR A 104 6.286 -3.285 2.409 1.00 0.00 C ATOM 1653 CG TYR A 104 7.036 -2.347 3.328 1.00 0.00 C ATOM 1654 CD1 TYR A 104 7.046 -2.551 4.702 1.00 0.00 C ATOM 1655 CD2 TYR A 104 7.734 -1.258 2.822 1.00 0.00 C ATOM 1656 CE1 TYR A 104 7.728 -1.696 5.546 1.00 0.00 C ATOM 1657 CE2 TYR A 104 8.421 -0.399 3.657 1.00 0.00 C ATOM 1658 CZ TYR A 104 8.414 -0.621 5.019 1.00 0.00 C ATOM 1659 OH TYR A 104 9.097 0.232 5.855 1.00 0.00 O ATOM 0 H TYR A 104 8.357 -3.626 0.909 1.00 0.00 H new ATOM 0 HA TYR A 104 7.141 -5.123 3.125 1.00 0.00 H new ATOM 0 HB2 TYR A 104 6.126 -2.791 1.451 1.00 0.00 H new ATOM 0 HB3 TYR A 104 5.302 -3.485 2.832 1.00 0.00 H new ATOM 0 HD1 TYR A 104 6.511 -3.392 5.118 1.00 0.00 H new ATOM 0 HD2 TYR A 104 7.740 -1.080 1.757 1.00 0.00 H new ATOM 0 HE1 TYR A 104 7.724 -1.868 6.612 1.00 0.00 H new ATOM 0 HE2 TYR A 104 8.961 0.442 3.246 1.00 0.00 H new ATOM 0 HH TYR A 104 9.869 0.606 5.381 1.00 0.00 H new ATOM 1669 N LEU A 105 6.836 -6.270 0.409 1.00 0.00 N ATOM 1670 CA LEU A 105 6.153 -7.168 -0.515 1.00 0.00 C ATOM 1671 C LEU A 105 5.496 -8.324 0.234 1.00 0.00 C ATOM 1672 O LEU A 105 6.141 -9.008 1.028 1.00 0.00 O ATOM 1673 CB LEU A 105 7.137 -7.712 -1.552 1.00 0.00 C ATOM 1674 CG LEU A 105 7.327 -6.861 -2.809 1.00 0.00 C ATOM 1675 CD1 LEU A 105 8.587 -7.279 -3.551 1.00 0.00 C ATOM 1676 CD2 LEU A 105 6.110 -6.971 -3.715 1.00 0.00 C ATOM 0 H LEU A 105 7.853 -6.286 0.338 1.00 0.00 H new ATOM 0 HA LEU A 105 5.375 -6.600 -1.025 1.00 0.00 H new ATOM 0 HB2 LEU A 105 8.108 -7.837 -1.072 1.00 0.00 H new ATOM 0 HB3 LEU A 105 6.802 -8.704 -1.856 1.00 0.00 H new ATOM 0 HG LEU A 105 7.437 -5.819 -2.507 1.00 0.00 H new ATOM 0 HD11 LEU A 105 8.706 -6.663 -4.442 1.00 0.00 H new ATOM 0 HD12 LEU A 105 9.452 -7.148 -2.901 1.00 0.00 H new ATOM 0 HD13 LEU A 105 8.507 -8.326 -3.842 1.00 0.00 H new ATOM 0 HD21 LEU A 105 6.262 -6.359 -4.604 1.00 0.00 H new ATOM 0 HD22 LEU A 105 5.968 -8.011 -4.009 1.00 0.00 H new ATOM 0 HD23 LEU A 105 5.226 -6.622 -3.181 1.00 0.00 H new ATOM 1688 N MET A 106 4.210 -8.536 -0.027 1.00 0.00 N ATOM 1689 CA MET A 106 3.467 -9.611 0.621 1.00 0.00 C ATOM 1690 C MET A 106 3.708 -10.941 -0.086 1.00 0.00 C ATOM 1691 O MET A 106 4.199 -11.895 0.516 1.00 0.00 O ATOM 1692 CB MET A 106 1.972 -9.291 0.634 1.00 0.00 C ATOM 1693 CG MET A 106 1.554 -8.383 1.779 1.00 0.00 C ATOM 1694 SD MET A 106 1.087 -9.303 3.259 1.00 0.00 S ATOM 1695 CE MET A 106 -0.551 -8.645 3.563 1.00 0.00 C ATOM 0 H MET A 106 3.661 -7.978 -0.682 1.00 0.00 H new ATOM 0 HA MET A 106 3.822 -9.696 1.648 1.00 0.00 H new ATOM 0 HB2 MET A 106 1.702 -8.819 -0.310 1.00 0.00 H new ATOM 0 HB3 MET A 106 1.410 -10.223 0.697 1.00 0.00 H new ATOM 0 HG2 MET A 106 2.374 -7.707 2.020 1.00 0.00 H new ATOM 0 HG3 MET A 106 0.715 -7.765 1.460 1.00 0.00 H new ATOM 0 HE1 MET A 106 -0.794 -8.748 4.621 1.00 0.00 H new ATOM 0 HE2 MET A 106 -0.577 -7.591 3.286 1.00 0.00 H new ATOM 0 HE3 MET A 106 -1.280 -9.195 2.968 1.00 0.00 H new