USER MOD reduce.3.24.130724 H: found=0, std=0, add=752, rem=0, adj=18 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 -111:sc= -1.15 USER MOD Set 1.2: A 70 THR OG1 : rot -161:sc= -1.12 USER MOD Set 1.3: A 106 MET CE :methyl 145:sc= -0.791 (180deg=-2.51!) USER MOD Set 2.1: A 61 THR OG1 : rot 78:sc= 0.985 USER MOD Set 2.2: A 62 HIS : no HD1:sc= -5.77! C(o=-4.8!,f=-21!) USER MOD Set 3.1: A 57 THR OG1 : rot 150:sc= 0 USER MOD Set 3.2: A 60 SER OG : rot -50:sc= 0.0169 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 31 SER OG : rot -110:sc= 0 USER MOD Single : A 34 GLN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : A 35 ASN : amide:sc= 0.52 K(o=0.52,f=-2.7!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -139:sc= 0 (180deg=-1.1) 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 69 ASN : amide:sc= -0.117 K(o=-0.12,f=-1.2) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= -0.32 K(o=-0.32,f=-2.2!) USER MOD Single : A 86 LYS NZ :NH3+ -174:sc= -0.0287 (180deg=-0.0744) USER MOD Single : A 92 CYS SG : rot 101:sc= -0.0759 USER MOD Single : A 93 HIS : no HE2:sc= -0.545 X(o=-0.55,f=-0.75) USER MOD Single : A 95 MET CE :methyl -118:sc= -0.418 (180deg=-2.2!) USER MOD Single : A 101 SER OG : rot -170:sc= -1.59 USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 104 TYR OH : rot 164:sc= 1.26 USER MOD ----------------------------------------------------------------- ATOM 227 N GLU A 18 5.711 18.351 -0.683 1.00 0.00 N ATOM 228 CA GLU A 18 6.824 17.409 -0.653 1.00 0.00 C ATOM 229 C GLU A 18 6.318 15.970 -0.598 1.00 0.00 C ATOM 230 O GLU A 18 7.003 15.042 -1.028 1.00 0.00 O ATOM 231 CB GLU A 18 7.726 17.689 0.551 1.00 0.00 C ATOM 232 CG GLU A 18 9.047 16.941 0.510 1.00 0.00 C ATOM 233 CD GLU A 18 9.916 17.223 1.720 1.00 0.00 C ATOM 234 OE1 GLU A 18 9.454 16.976 2.853 1.00 0.00 O ATOM 235 OE2 GLU A 18 11.059 17.690 1.533 1.00 0.00 O ATOM 0 HA GLU A 18 7.401 17.539 -1.569 1.00 0.00 H new ATOM 0 HB2 GLU A 18 7.926 18.759 0.603 1.00 0.00 H new ATOM 0 HB3 GLU A 18 7.194 17.419 1.463 1.00 0.00 H new ATOM 0 HG2 GLU A 18 8.852 15.870 0.449 1.00 0.00 H new ATOM 0 HG3 GLU A 18 9.589 17.218 -0.394 1.00 0.00 H new ATOM 242 N LEU A 19 5.114 15.793 -0.066 1.00 0.00 N ATOM 243 CA LEU A 19 4.514 14.468 0.046 1.00 0.00 C ATOM 244 C LEU A 19 3.918 14.025 -1.286 1.00 0.00 C ATOM 245 O LEU A 19 4.165 12.912 -1.749 1.00 0.00 O ATOM 246 CB LEU A 19 3.432 14.466 1.128 1.00 0.00 C ATOM 247 CG LEU A 19 3.916 14.248 2.561 1.00 0.00 C ATOM 248 CD1 LEU A 19 4.672 12.933 2.676 1.00 0.00 C ATOM 249 CD2 LEU A 19 4.791 15.409 3.011 1.00 0.00 C ATOM 0 H LEU A 19 4.534 16.550 0.295 1.00 0.00 H new ATOM 0 HA LEU A 19 5.298 13.764 0.324 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.902 15.418 1.086 1.00 0.00 H new ATOM 0 HB3 LEU A 19 2.708 13.687 0.888 1.00 0.00 H new ATOM 0 HG LEU A 19 3.045 14.201 3.214 1.00 0.00 H new ATOM 0 HD11 LEU A 19 5.009 12.796 3.704 1.00 0.00 H new ATOM 0 HD12 LEU A 19 4.015 12.110 2.396 1.00 0.00 H new ATOM 0 HD13 LEU A 19 5.535 12.950 2.011 1.00 0.00 H new ATOM 0 HD21 LEU A 19 5.127 15.237 4.034 1.00 0.00 H new ATOM 0 HD22 LEU A 19 5.657 15.488 2.354 1.00 0.00 H new ATOM 0 HD23 LEU A 19 4.217 16.335 2.969 1.00 0.00 H new ATOM 261 N GLY A 20 3.134 14.906 -1.900 1.00 0.00 N ATOM 262 CA GLY A 20 2.517 14.588 -3.175 1.00 0.00 C ATOM 263 C GLY A 20 3.528 14.141 -4.212 1.00 0.00 C ATOM 264 O GLY A 20 3.164 13.557 -5.233 1.00 0.00 O ATOM 0 H GLY A 20 2.915 15.834 -1.538 1.00 0.00 H new ATOM 0 HA2 GLY A 20 1.777 13.801 -3.031 1.00 0.00 H new ATOM 0 HA3 GLY A 20 1.984 15.463 -3.546 1.00 0.00 H new ATOM 268 N LYS A 21 4.801 14.416 -3.953 1.00 0.00 N ATOM 269 CA LYS A 21 5.869 14.039 -4.871 1.00 0.00 C ATOM 270 C LYS A 21 6.386 12.639 -4.559 1.00 0.00 C ATOM 271 O LYS A 21 6.968 11.976 -5.418 1.00 0.00 O ATOM 272 CB LYS A 21 7.017 15.048 -4.793 1.00 0.00 C ATOM 273 CG LYS A 21 6.574 16.489 -4.975 1.00 0.00 C ATOM 274 CD LYS A 21 6.595 16.898 -6.438 1.00 0.00 C ATOM 275 CE LYS A 21 5.261 16.623 -7.114 1.00 0.00 C ATOM 276 NZ LYS A 21 4.338 17.787 -7.015 1.00 0.00 N ATOM 0 H LYS A 21 5.119 14.900 -3.113 1.00 0.00 H new ATOM 0 HA LYS A 21 5.462 14.039 -5.882 1.00 0.00 H new ATOM 0 HB2 LYS A 21 7.512 14.948 -3.827 1.00 0.00 H new ATOM 0 HB3 LYS A 21 7.756 14.805 -5.557 1.00 0.00 H new ATOM 0 HG2 LYS A 21 5.568 16.614 -4.576 1.00 0.00 H new ATOM 0 HG3 LYS A 21 7.228 17.147 -4.403 1.00 0.00 H new ATOM 0 HD2 LYS A 21 6.832 17.959 -6.517 1.00 0.00 H new ATOM 0 HD3 LYS A 21 7.385 16.356 -6.957 1.00 0.00 H new ATOM 0 HE2 LYS A 21 5.429 16.381 -8.163 1.00 0.00 H new ATOM 0 HE3 LYS A 21 4.795 15.750 -6.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 3.440 17.559 -7.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 4.157 18.002 -6.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 4.771 18.614 -7.474 1.00 0.00 H new ATOM 290 N ILE A 22 6.170 12.194 -3.325 1.00 0.00 N ATOM 291 CA ILE A 22 6.612 10.872 -2.901 1.00 0.00 C ATOM 292 C ILE A 22 5.915 9.776 -3.701 1.00 0.00 C ATOM 293 O ILE A 22 6.566 8.963 -4.358 1.00 0.00 O ATOM 294 CB ILE A 22 6.348 10.644 -1.401 1.00 0.00 C ATOM 295 CG1 ILE A 22 7.076 11.700 -0.567 1.00 0.00 C ATOM 296 CG2 ILE A 22 6.785 9.245 -0.993 1.00 0.00 C ATOM 297 CD1 ILE A 22 6.967 11.472 0.925 1.00 0.00 C ATOM 0 H ILE A 22 5.691 12.731 -2.602 1.00 0.00 H new ATOM 0 HA ILE A 22 7.686 10.825 -3.084 1.00 0.00 H new ATOM 0 HB ILE A 22 5.278 10.737 -1.217 1.00 0.00 H new ATOM 0 HG12 ILE A 22 8.129 11.711 -0.849 1.00 0.00 H new ATOM 0 HG13 ILE A 22 6.671 12.683 -0.807 1.00 0.00 H new ATOM 0 HG21 ILE A 22 6.592 9.099 0.070 1.00 0.00 H new ATOM 0 HG22 ILE A 22 6.226 8.507 -1.568 1.00 0.00 H new ATOM 0 HG23 ILE A 22 7.851 9.125 -1.188 1.00 0.00 H new ATOM 0 HD11 ILE A 22 7.506 12.258 1.454 1.00 0.00 H new ATOM 0 HD12 ILE A 22 5.918 11.490 1.220 1.00 0.00 H new ATOM 0 HD13 ILE A 22 7.398 10.503 1.177 1.00 0.00 H new ATOM 309 N LEU A 23 4.588 9.762 -3.642 1.00 0.00 N ATOM 310 CA LEU A 23 3.801 8.767 -4.362 1.00 0.00 C ATOM 311 C LEU A 23 3.054 9.405 -5.529 1.00 0.00 C ATOM 312 O LEU A 23 1.901 9.070 -5.797 1.00 0.00 O ATOM 313 CB LEU A 23 2.808 8.090 -3.415 1.00 0.00 C ATOM 314 CG LEU A 23 3.405 7.107 -2.408 1.00 0.00 C ATOM 315 CD1 LEU A 23 2.304 6.322 -1.712 1.00 0.00 C ATOM 316 CD2 LEU A 23 4.380 6.164 -3.097 1.00 0.00 C ATOM 0 H LEU A 23 4.035 10.428 -3.103 1.00 0.00 H new ATOM 0 HA LEU A 23 4.485 8.016 -4.758 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.276 8.865 -2.864 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.068 7.560 -4.015 1.00 0.00 H new ATOM 0 HG LEU A 23 3.951 7.675 -1.655 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.748 5.627 -0.999 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.644 7.011 -1.185 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.731 5.765 -2.453 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.795 5.471 -2.365 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.858 5.603 -3.872 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.187 6.741 -3.549 1.00 0.00 H new ATOM 328 N GLN A 24 3.721 10.324 -6.221 1.00 0.00 N ATOM 329 CA GLN A 24 3.120 11.007 -7.360 1.00 0.00 C ATOM 330 C GLN A 24 2.728 10.011 -8.447 1.00 0.00 C ATOM 331 O GLN A 24 3.559 9.241 -8.926 1.00 0.00 O ATOM 332 CB GLN A 24 4.089 12.045 -7.928 1.00 0.00 C ATOM 333 CG GLN A 24 3.454 12.976 -8.948 1.00 0.00 C ATOM 334 CD GLN A 24 4.468 13.871 -9.633 1.00 0.00 C ATOM 335 OE1 GLN A 24 5.671 13.764 -9.391 1.00 0.00 O ATOM 336 NE2 GLN A 24 3.988 14.761 -10.493 1.00 0.00 N ATOM 0 H GLN A 24 4.677 10.612 -6.013 1.00 0.00 H new ATOM 0 HA GLN A 24 2.219 11.513 -7.014 1.00 0.00 H new ATOM 0 HB2 GLN A 24 4.493 12.639 -7.108 1.00 0.00 H new ATOM 0 HB3 GLN A 24 4.929 11.529 -8.393 1.00 0.00 H new ATOM 0 HG2 GLN A 24 2.932 12.384 -9.699 1.00 0.00 H new ATOM 0 HG3 GLN A 24 2.705 13.594 -8.453 1.00 0.00 H new ATOM 0 HE21 GLN A 24 2.984 14.815 -10.664 1.00 0.00 H new ATOM 0 HE22 GLN A 24 4.623 15.391 -10.983 1.00 0.00 H new ATOM 345 N GLY A 25 1.455 10.032 -8.831 1.00 0.00 N ATOM 346 CA GLY A 25 0.975 9.127 -9.858 1.00 0.00 C ATOM 347 C GLY A 25 0.795 7.712 -9.345 1.00 0.00 C ATOM 348 O GLY A 25 0.978 6.746 -10.087 1.00 0.00 O ATOM 0 H GLY A 25 0.748 10.660 -8.449 1.00 0.00 H new ATOM 0 HA2 GLY A 25 0.024 9.493 -10.246 1.00 0.00 H new ATOM 0 HA3 GLY A 25 1.678 9.122 -10.691 1.00 0.00 H new ATOM 352 N VAL A 26 0.436 7.587 -8.071 1.00 0.00 N ATOM 353 CA VAL A 26 0.232 6.279 -7.459 1.00 0.00 C ATOM 354 C VAL A 26 -1.217 6.096 -7.024 1.00 0.00 C ATOM 355 O VAL A 26 -1.902 7.062 -6.687 1.00 0.00 O ATOM 356 CB VAL A 26 1.152 6.081 -6.239 1.00 0.00 C ATOM 357 CG1 VAL A 26 0.850 4.758 -5.553 1.00 0.00 C ATOM 358 CG2 VAL A 26 2.613 6.153 -6.657 1.00 0.00 C ATOM 0 H VAL A 26 0.280 8.375 -7.443 1.00 0.00 H new ATOM 0 HA VAL A 26 0.478 5.534 -8.215 1.00 0.00 H new ATOM 0 HB VAL A 26 0.962 6.884 -5.527 1.00 0.00 H new ATOM 0 HG11 VAL A 26 1.509 4.635 -4.694 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -0.187 4.750 -5.219 1.00 0.00 H new ATOM 0 HG13 VAL A 26 1.011 3.939 -6.254 1.00 0.00 H new ATOM 0 HG21 VAL A 26 3.249 6.011 -5.783 1.00 0.00 H new ATOM 0 HG22 VAL A 26 2.821 5.372 -7.388 1.00 0.00 H new ATOM 0 HG23 VAL A 26 2.817 7.128 -7.100 1.00 0.00 H new ATOM 368 N VAL A 27 -1.680 4.850 -7.033 1.00 0.00 N ATOM 369 CA VAL A 27 -3.048 4.539 -6.638 1.00 0.00 C ATOM 370 C VAL A 27 -3.083 3.398 -5.628 1.00 0.00 C ATOM 371 O VAL A 27 -2.681 2.274 -5.930 1.00 0.00 O ATOM 372 CB VAL A 27 -3.912 4.159 -7.856 1.00 0.00 C ATOM 373 CG1 VAL A 27 -5.373 4.030 -7.455 1.00 0.00 C ATOM 374 CG2 VAL A 27 -3.743 5.183 -8.968 1.00 0.00 C ATOM 0 H VAL A 27 -1.127 4.039 -7.310 1.00 0.00 H new ATOM 0 HA VAL A 27 -3.457 5.439 -6.179 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.577 3.192 -8.230 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -5.968 3.761 -8.328 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -5.475 3.256 -6.694 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -5.726 4.980 -7.055 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -4.360 4.899 -9.821 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -4.050 6.165 -8.608 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.697 5.219 -9.273 1.00 0.00 H new ATOM 384 N VAL A 28 -3.566 3.694 -4.426 1.00 0.00 N ATOM 385 CA VAL A 28 -3.655 2.692 -3.370 1.00 0.00 C ATOM 386 C VAL A 28 -5.107 2.323 -3.084 1.00 0.00 C ATOM 387 O VAL A 28 -5.988 3.182 -3.078 1.00 0.00 O ATOM 388 CB VAL A 28 -2.997 3.188 -2.069 1.00 0.00 C ATOM 389 CG1 VAL A 28 -1.483 3.203 -2.208 1.00 0.00 C ATOM 390 CG2 VAL A 28 -3.521 4.568 -1.700 1.00 0.00 C ATOM 0 H VAL A 28 -3.902 4.619 -4.159 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.122 1.810 -3.724 1.00 0.00 H new ATOM 0 HB VAL A 28 -3.257 2.499 -1.265 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.036 3.556 -1.279 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -1.127 2.195 -2.422 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -1.199 3.868 -3.023 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -3.046 4.903 -0.778 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.293 5.270 -2.502 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -4.600 4.521 -1.555 1.00 0.00 H new ATOM 400 N VAL A 29 -5.348 1.037 -2.846 1.00 0.00 N ATOM 401 CA VAL A 29 -6.693 0.553 -2.557 1.00 0.00 C ATOM 402 C VAL A 29 -6.771 -0.053 -1.160 1.00 0.00 C ATOM 403 O VAL A 29 -6.002 -0.952 -0.818 1.00 0.00 O ATOM 404 CB VAL A 29 -7.144 -0.500 -3.587 1.00 0.00 C ATOM 405 CG1 VAL A 29 -8.549 -0.989 -3.271 1.00 0.00 C ATOM 406 CG2 VAL A 29 -7.073 0.070 -4.996 1.00 0.00 C ATOM 0 H VAL A 29 -4.630 0.313 -2.848 1.00 0.00 H new ATOM 0 HA VAL A 29 -7.358 1.415 -2.614 1.00 0.00 H new ATOM 0 HB VAL A 29 -6.467 -1.353 -3.530 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -8.850 -1.732 -4.009 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -8.563 -1.438 -2.278 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -9.242 -0.148 -3.299 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -7.395 -0.687 -5.711 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -7.726 0.940 -5.070 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -6.048 0.366 -5.218 1.00 0.00 H new ATOM 416 N LEU A 30 -7.705 0.444 -0.357 1.00 0.00 N ATOM 417 CA LEU A 30 -7.884 -0.048 1.004 1.00 0.00 C ATOM 418 C LEU A 30 -8.721 -1.323 1.016 1.00 0.00 C ATOM 419 O LEU A 30 -9.820 -1.361 0.463 1.00 0.00 O ATOM 420 CB LEU A 30 -8.551 1.021 1.871 1.00 0.00 C ATOM 421 CG LEU A 30 -7.799 2.346 1.999 1.00 0.00 C ATOM 422 CD1 LEU A 30 -8.514 3.274 2.970 1.00 0.00 C ATOM 423 CD2 LEU A 30 -6.365 2.104 2.447 1.00 0.00 C ATOM 0 H LEU A 30 -8.350 1.187 -0.625 1.00 0.00 H new ATOM 0 HA LEU A 30 -6.900 -0.277 1.413 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -9.541 1.226 1.463 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -8.697 0.611 2.870 1.00 0.00 H new ATOM 0 HG LEU A 30 -7.777 2.825 1.020 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -7.964 4.212 3.048 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -9.522 3.473 2.607 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -8.568 2.802 3.951 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -5.845 3.058 2.533 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -6.366 1.603 3.415 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -5.856 1.478 1.715 1.00 0.00 H new ATOM 435 N SER A 31 -8.194 -2.365 1.651 1.00 0.00 N ATOM 436 CA SER A 31 -8.892 -3.643 1.733 1.00 0.00 C ATOM 437 C SER A 31 -8.481 -4.406 2.989 1.00 0.00 C ATOM 438 O SER A 31 -7.369 -4.926 3.077 1.00 0.00 O ATOM 439 CB SER A 31 -8.601 -4.488 0.491 1.00 0.00 C ATOM 440 OG SER A 31 -9.655 -5.402 0.239 1.00 0.00 O ATOM 0 H SER A 31 -7.286 -2.349 2.116 1.00 0.00 H new ATOM 0 HA SER A 31 -9.962 -3.442 1.784 1.00 0.00 H new ATOM 0 HB2 SER A 31 -8.466 -3.837 -0.373 1.00 0.00 H new ATOM 0 HB3 SER A 31 -7.667 -5.033 0.629 1.00 0.00 H new ATOM 0 HG SER A 31 -9.348 -6.314 0.422 1.00 0.00 H new ATOM 446 N GLY A 32 -9.388 -4.469 3.960 1.00 0.00 N ATOM 447 CA GLY A 32 -9.102 -5.169 5.198 1.00 0.00 C ATOM 448 C GLY A 32 -8.733 -4.226 6.326 1.00 0.00 C ATOM 449 O GLY A 32 -7.830 -4.511 7.112 1.00 0.00 O ATOM 0 H GLY A 32 -10.316 -4.047 3.911 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -9.973 -5.756 5.490 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -8.285 -5.872 5.034 1.00 0.00 H new ATOM 453 N PHE A 33 -9.432 -3.099 6.405 1.00 0.00 N ATOM 454 CA PHE A 33 -9.172 -2.110 7.444 1.00 0.00 C ATOM 455 C PHE A 33 -10.451 -1.767 8.202 1.00 0.00 C ATOM 456 O PHE A 33 -11.554 -2.058 7.741 1.00 0.00 O ATOM 457 CB PHE A 33 -8.574 -0.841 6.831 1.00 0.00 C ATOM 458 CG PHE A 33 -7.196 -1.040 6.267 1.00 0.00 C ATOM 459 CD1 PHE A 33 -6.125 -1.320 7.101 1.00 0.00 C ATOM 460 CD2 PHE A 33 -6.972 -0.947 4.903 1.00 0.00 C ATOM 461 CE1 PHE A 33 -4.856 -1.504 6.585 1.00 0.00 C ATOM 462 CE2 PHE A 33 -5.705 -1.131 4.381 1.00 0.00 C ATOM 463 CZ PHE A 33 -4.646 -1.408 5.223 1.00 0.00 C ATOM 0 H PHE A 33 -10.183 -2.848 5.762 1.00 0.00 H new ATOM 0 HA PHE A 33 -8.458 -2.538 8.147 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -9.233 -0.483 6.040 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -8.537 -0.062 7.592 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -6.284 -1.395 8.167 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -7.796 -0.728 4.240 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -4.030 -1.722 7.246 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -5.544 -1.058 3.316 1.00 0.00 H new ATOM 0 HZ PHE A 33 -3.655 -1.549 4.817 1.00 0.00 H new ATOM 473 N GLN A 34 -10.293 -1.149 9.368 1.00 0.00 N ATOM 474 CA GLN A 34 -11.435 -0.768 10.191 1.00 0.00 C ATOM 475 C GLN A 34 -11.204 0.588 10.850 1.00 0.00 C ATOM 476 O GLN A 34 -10.214 0.786 11.554 1.00 0.00 O ATOM 477 CB GLN A 34 -11.696 -1.830 11.261 1.00 0.00 C ATOM 478 CG GLN A 34 -10.471 -2.166 12.096 1.00 0.00 C ATOM 479 CD GLN A 34 -10.782 -3.124 13.229 1.00 0.00 C ATOM 480 OE1 GLN A 34 -11.941 -3.468 13.466 1.00 0.00 O ATOM 481 NE2 GLN A 34 -9.747 -3.562 13.936 1.00 0.00 N ATOM 0 H GLN A 34 -9.386 -0.902 9.764 1.00 0.00 H new ATOM 0 HA GLN A 34 -12.308 -0.692 9.543 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -12.491 -1.482 11.921 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -12.057 -2.738 10.779 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -9.707 -2.605 11.454 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -10.053 -1.247 12.507 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -8.803 -3.251 13.705 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -9.896 -4.209 14.710 1.00 0.00 H new ATOM 490 N ASN A 35 -12.123 1.519 10.615 1.00 0.00 N ATOM 491 CA ASN A 35 -12.018 2.857 11.185 1.00 0.00 C ATOM 492 C ASN A 35 -11.889 2.793 12.704 1.00 0.00 C ATOM 493 O ASN A 35 -12.224 1.793 13.339 1.00 0.00 O ATOM 494 CB ASN A 35 -13.239 3.695 10.801 1.00 0.00 C ATOM 495 CG ASN A 35 -14.477 2.846 10.583 1.00 0.00 C ATOM 496 OD1 ASN A 35 -14.581 2.122 9.593 1.00 0.00 O ATOM 497 ND2 ASN A 35 -15.424 2.932 11.511 1.00 0.00 N ATOM 0 H ASN A 35 -12.948 1.371 10.034 1.00 0.00 H new ATOM 0 HA ASN A 35 -11.121 3.327 10.781 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -13.436 4.426 11.585 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -13.021 4.255 9.892 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -16.280 2.385 11.419 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -15.295 3.545 12.316 1.00 0.00 H new ATOM 504 N PRO A 36 -11.392 3.886 13.302 1.00 0.00 N ATOM 505 CA PRO A 36 -10.989 5.082 12.557 1.00 0.00 C ATOM 506 C PRO A 36 -9.735 4.850 11.721 1.00 0.00 C ATOM 507 O PRO A 36 -9.374 5.676 10.882 1.00 0.00 O ATOM 508 CB PRO A 36 -10.715 6.110 13.657 1.00 0.00 C ATOM 509 CG PRO A 36 -10.370 5.297 14.857 1.00 0.00 C ATOM 510 CD PRO A 36 -11.184 4.037 14.752 1.00 0.00 C ATOM 0 HA PRO A 36 -11.752 5.393 11.844 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -9.897 6.776 13.382 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -11.588 6.736 13.840 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -9.304 5.072 14.882 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -10.604 5.837 15.775 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -10.657 3.181 15.174 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -12.130 4.124 15.287 1.00 0.00 H new ATOM 518 N PHE A 37 -9.075 3.720 11.954 1.00 0.00 N ATOM 519 CA PHE A 37 -7.860 3.379 11.223 1.00 0.00 C ATOM 520 C PHE A 37 -7.979 3.779 9.755 1.00 0.00 C ATOM 521 O PHE A 37 -7.131 4.498 9.226 1.00 0.00 O ATOM 522 CB PHE A 37 -7.577 1.880 11.333 1.00 0.00 C ATOM 523 CG PHE A 37 -6.171 1.506 10.959 1.00 0.00 C ATOM 524 CD1 PHE A 37 -5.092 2.171 11.518 1.00 0.00 C ATOM 525 CD2 PHE A 37 -5.929 0.490 10.049 1.00 0.00 C ATOM 526 CE1 PHE A 37 -3.797 1.830 11.175 1.00 0.00 C ATOM 527 CE2 PHE A 37 -4.637 0.144 9.702 1.00 0.00 C ATOM 528 CZ PHE A 37 -3.569 0.814 10.266 1.00 0.00 C ATOM 0 H PHE A 37 -9.361 3.025 12.643 1.00 0.00 H new ATOM 0 HA PHE A 37 -7.032 3.931 11.667 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -7.771 1.556 12.356 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -8.271 1.339 10.690 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -5.264 2.965 12.230 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -6.760 -0.038 9.605 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -2.964 2.357 11.617 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -4.462 -0.650 8.990 1.00 0.00 H new ATOM 0 HZ PHE A 37 -2.558 0.545 9.997 1.00 0.00 H new ATOM 538 N ARG A 38 -9.037 3.308 9.103 1.00 0.00 N ATOM 539 CA ARG A 38 -9.267 3.614 7.697 1.00 0.00 C ATOM 540 C ARG A 38 -9.014 5.092 7.414 1.00 0.00 C ATOM 541 O ARG A 38 -8.058 5.448 6.725 1.00 0.00 O ATOM 542 CB ARG A 38 -10.698 3.245 7.299 1.00 0.00 C ATOM 543 CG ARG A 38 -11.011 1.766 7.456 1.00 0.00 C ATOM 544 CD ARG A 38 -12.120 1.329 6.512 1.00 0.00 C ATOM 545 NE ARG A 38 -11.608 0.982 5.189 1.00 0.00 N ATOM 546 CZ ARG A 38 -12.381 0.814 4.122 1.00 0.00 C ATOM 547 NH1 ARG A 38 -13.695 0.962 4.222 1.00 0.00 N ATOM 548 NH2 ARG A 38 -11.841 0.498 2.952 1.00 0.00 N ATOM 0 H ARG A 38 -9.749 2.713 9.527 1.00 0.00 H new ATOM 0 HA ARG A 38 -8.569 3.023 7.104 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -11.395 3.822 7.906 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -10.864 3.535 6.261 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -10.113 1.180 7.260 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -11.306 1.563 8.485 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -12.640 0.470 6.936 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -12.853 2.130 6.418 1.00 0.00 H new ATOM 0 HE ARG A 38 -10.601 0.862 5.078 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -14.114 1.205 5.120 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -14.287 0.833 3.401 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -10.831 0.384 2.871 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -12.436 0.369 2.134 1.00 0.00 H new ATOM 562 N SER A 39 -9.879 5.948 7.949 1.00 0.00 N ATOM 563 CA SER A 39 -9.752 7.387 7.751 1.00 0.00 C ATOM 564 C SER A 39 -8.305 7.835 7.933 1.00 0.00 C ATOM 565 O SER A 39 -7.679 8.341 7.002 1.00 0.00 O ATOM 566 CB SER A 39 -10.657 8.140 8.727 1.00 0.00 C ATOM 567 OG SER A 39 -12.011 8.086 8.312 1.00 0.00 O ATOM 0 H SER A 39 -10.675 5.670 8.523 1.00 0.00 H new ATOM 0 HA SER A 39 -10.060 7.616 6.731 1.00 0.00 H new ATOM 0 HB2 SER A 39 -10.561 7.709 9.723 1.00 0.00 H new ATOM 0 HB3 SER A 39 -10.336 9.179 8.797 1.00 0.00 H new ATOM 0 HG SER A 39 -12.569 8.573 8.953 1.00 0.00 H new ATOM 573 N GLU A 40 -7.781 7.646 9.140 1.00 0.00 N ATOM 574 CA GLU A 40 -6.408 8.031 9.445 1.00 0.00 C ATOM 575 C GLU A 40 -5.465 7.624 8.317 1.00 0.00 C ATOM 576 O GLU A 40 -4.681 8.436 7.823 1.00 0.00 O ATOM 577 CB GLU A 40 -5.955 7.391 10.759 1.00 0.00 C ATOM 578 CG GLU A 40 -4.503 7.673 11.105 1.00 0.00 C ATOM 579 CD GLU A 40 -4.160 7.300 12.535 1.00 0.00 C ATOM 580 OE1 GLU A 40 -4.414 8.123 13.439 1.00 0.00 O ATOM 581 OE2 GLU A 40 -3.639 6.186 12.749 1.00 0.00 O ATOM 0 H GLU A 40 -8.286 7.229 9.922 1.00 0.00 H new ATOM 0 HA GLU A 40 -6.377 9.116 9.548 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -6.589 7.754 11.568 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -6.102 6.313 10.698 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -3.857 7.119 10.424 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -4.296 8.732 10.950 1.00 0.00 H new ATOM 588 N LEU A 41 -5.545 6.360 7.914 1.00 0.00 N ATOM 589 CA LEU A 41 -4.699 5.843 6.844 1.00 0.00 C ATOM 590 C LEU A 41 -4.892 6.646 5.561 1.00 0.00 C ATOM 591 O LEU A 41 -3.969 7.311 5.089 1.00 0.00 O ATOM 592 CB LEU A 41 -5.011 4.368 6.587 1.00 0.00 C ATOM 593 CG LEU A 41 -4.318 3.735 5.381 1.00 0.00 C ATOM 594 CD1 LEU A 41 -2.808 3.857 5.508 1.00 0.00 C ATOM 595 CD2 LEU A 41 -4.727 2.276 5.235 1.00 0.00 C ATOM 0 H LEU A 41 -6.187 5.675 8.312 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.660 5.939 7.158 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -4.739 3.800 7.476 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -6.088 4.262 6.458 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.631 4.270 4.485 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.332 3.401 4.640 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.531 4.910 5.562 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.477 3.348 6.413 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.224 1.842 4.371 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -4.444 1.727 6.133 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -5.806 2.213 5.096 1.00 0.00 H new ATOM 607 N ARG A 42 -6.097 6.581 5.004 1.00 0.00 N ATOM 608 CA ARG A 42 -6.411 7.302 3.777 1.00 0.00 C ATOM 609 C ARG A 42 -5.734 8.670 3.762 1.00 0.00 C ATOM 610 O ARG A 42 -5.005 9.003 2.827 1.00 0.00 O ATOM 611 CB ARG A 42 -7.924 7.469 3.631 1.00 0.00 C ATOM 612 CG ARG A 42 -8.347 8.050 2.291 1.00 0.00 C ATOM 613 CD ARG A 42 -9.694 8.748 2.387 1.00 0.00 C ATOM 614 NE ARG A 42 -9.861 9.761 1.349 1.00 0.00 N ATOM 615 CZ ARG A 42 -10.711 10.777 1.443 1.00 0.00 C ATOM 616 NH1 ARG A 42 -11.468 10.915 2.523 1.00 0.00 N ATOM 617 NH2 ARG A 42 -10.806 11.659 0.456 1.00 0.00 N ATOM 0 H ARG A 42 -6.872 6.036 5.383 1.00 0.00 H new ATOM 0 HA ARG A 42 -6.034 6.719 2.937 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -8.402 6.499 3.764 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -8.288 8.116 4.429 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -7.593 8.758 1.946 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -8.401 7.254 1.549 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -10.492 8.010 2.304 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -9.792 9.214 3.367 1.00 0.00 H new ATOM 0 HE ARG A 42 -9.293 9.684 0.505 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -11.398 10.240 3.284 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -12.120 11.696 2.592 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -10.226 11.557 -0.377 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -11.459 12.439 0.530 1.00 0.00 H new ATOM 631 N ASP A 43 -5.981 9.458 4.803 1.00 0.00 N ATOM 632 CA ASP A 43 -5.395 10.789 4.910 1.00 0.00 C ATOM 633 C ASP A 43 -3.920 10.767 4.520 1.00 0.00 C ATOM 634 O ASP A 43 -3.524 11.353 3.513 1.00 0.00 O ATOM 635 CB ASP A 43 -5.552 11.325 6.334 1.00 0.00 C ATOM 636 CG ASP A 43 -5.426 12.834 6.401 1.00 0.00 C ATOM 637 OD1 ASP A 43 -6.448 13.524 6.202 1.00 0.00 O ATOM 638 OD2 ASP A 43 -4.306 13.326 6.653 1.00 0.00 O ATOM 0 H ASP A 43 -6.583 9.198 5.584 1.00 0.00 H new ATOM 0 HA ASP A 43 -5.923 11.449 4.222 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -6.524 11.027 6.726 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -4.796 10.871 6.975 1.00 0.00 H new ATOM 643 N LYS A 44 -3.111 10.088 5.326 1.00 0.00 N ATOM 644 CA LYS A 44 -1.680 9.988 5.066 1.00 0.00 C ATOM 645 C LYS A 44 -1.416 9.575 3.622 1.00 0.00 C ATOM 646 O LYS A 44 -0.521 10.109 2.967 1.00 0.00 O ATOM 647 CB LYS A 44 -1.036 8.982 6.022 1.00 0.00 C ATOM 648 CG LYS A 44 -0.945 9.476 7.456 1.00 0.00 C ATOM 649 CD LYS A 44 -0.960 8.323 8.445 1.00 0.00 C ATOM 650 CE LYS A 44 -0.754 8.810 9.871 1.00 0.00 C ATOM 651 NZ LYS A 44 -1.086 7.757 10.870 1.00 0.00 N ATOM 0 H LYS A 44 -3.422 9.599 6.165 1.00 0.00 H new ATOM 0 HA LYS A 44 -1.237 10.970 5.230 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -1.610 8.056 6.002 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -0.034 8.744 5.664 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -0.031 10.055 7.585 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -1.779 10.146 7.664 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -1.910 7.793 8.374 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -0.177 7.610 8.186 1.00 0.00 H new ATOM 0 HE2 LYS A 44 0.282 9.121 10.002 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -1.375 9.688 10.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -1.598 8.185 11.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -1.683 7.032 10.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -0.209 7.318 11.216 1.00 0.00 H new ATOM 665 N ALA A 45 -2.201 8.621 3.132 1.00 0.00 N ATOM 666 CA ALA A 45 -2.054 8.139 1.764 1.00 0.00 C ATOM 667 C ALA A 45 -2.250 9.269 0.759 1.00 0.00 C ATOM 668 O ALA A 45 -1.533 9.357 -0.239 1.00 0.00 O ATOM 669 CB ALA A 45 -3.040 7.012 1.493 1.00 0.00 C ATOM 0 H ALA A 45 -2.945 8.167 3.662 1.00 0.00 H new ATOM 0 HA ALA A 45 -1.040 7.756 1.647 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -2.919 6.662 0.468 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -2.851 6.189 2.182 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -4.057 7.377 1.634 1.00 0.00 H new ATOM 675 N LEU A 46 -3.223 10.132 1.029 1.00 0.00 N ATOM 676 CA LEU A 46 -3.514 11.257 0.147 1.00 0.00 C ATOM 677 C LEU A 46 -2.333 12.221 0.087 1.00 0.00 C ATOM 678 O LEU A 46 -2.048 12.803 -0.959 1.00 0.00 O ATOM 679 CB LEU A 46 -4.765 11.996 0.626 1.00 0.00 C ATOM 680 CG LEU A 46 -6.068 11.195 0.600 1.00 0.00 C ATOM 681 CD1 LEU A 46 -7.143 11.900 1.413 1.00 0.00 C ATOM 682 CD2 LEU A 46 -6.534 10.981 -0.832 1.00 0.00 C ATOM 0 H LEU A 46 -3.824 10.074 1.851 1.00 0.00 H new ATOM 0 HA LEU A 46 -3.692 10.865 -0.854 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -4.592 12.338 1.646 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -4.896 12.885 0.009 1.00 0.00 H new ATOM 0 HG LEU A 46 -5.882 10.220 1.049 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -8.063 11.316 1.383 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -6.810 12.001 2.446 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -7.327 12.889 0.993 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -7.462 10.409 -0.831 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -6.703 11.947 -1.308 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -5.771 10.433 -1.385 1.00 0.00 H new ATOM 694 N GLU A 47 -1.649 12.381 1.215 1.00 0.00 N ATOM 695 CA GLU A 47 -0.497 13.273 1.289 1.00 0.00 C ATOM 696 C GLU A 47 0.559 12.885 0.258 1.00 0.00 C ATOM 697 O GLU A 47 1.030 13.723 -0.512 1.00 0.00 O ATOM 698 CB GLU A 47 0.109 13.244 2.693 1.00 0.00 C ATOM 699 CG GLU A 47 -0.493 14.270 3.638 1.00 0.00 C ATOM 700 CD GLU A 47 0.241 15.596 3.604 1.00 0.00 C ATOM 701 OE1 GLU A 47 1.414 15.636 4.031 1.00 0.00 O ATOM 702 OE2 GLU A 47 -0.357 16.594 3.151 1.00 0.00 O ATOM 0 H GLU A 47 -1.872 11.905 2.089 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.838 14.285 1.070 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -0.026 12.249 3.117 1.00 0.00 H new ATOM 0 HB3 GLU A 47 1.183 13.416 2.620 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -1.539 14.431 3.375 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -0.477 13.876 4.654 1.00 0.00 H new ATOM 709 N LEU A 48 0.927 11.609 0.250 1.00 0.00 N ATOM 710 CA LEU A 48 1.929 11.107 -0.685 1.00 0.00 C ATOM 711 C LEU A 48 1.488 11.334 -2.128 1.00 0.00 C ATOM 712 O LEU A 48 2.278 11.186 -3.059 1.00 0.00 O ATOM 713 CB LEU A 48 2.179 9.617 -0.445 1.00 0.00 C ATOM 714 CG LEU A 48 2.417 9.203 1.008 1.00 0.00 C ATOM 715 CD1 LEU A 48 2.205 7.706 1.177 1.00 0.00 C ATOM 716 CD2 LEU A 48 3.818 9.598 1.452 1.00 0.00 C ATOM 0 H LEU A 48 0.547 10.903 0.880 1.00 0.00 H new ATOM 0 HA LEU A 48 2.855 11.656 -0.516 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.323 9.059 -0.825 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.044 9.314 -1.035 1.00 0.00 H new ATOM 0 HG LEU A 48 1.697 9.725 1.638 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.379 7.429 2.217 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.183 7.450 0.899 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.902 7.165 0.536 1.00 0.00 H new ATOM 0 HD21 LEU A 48 3.970 9.296 2.488 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.554 9.103 0.818 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.935 10.678 1.368 1.00 0.00 H new ATOM 728 N GLY A 49 0.221 11.697 -2.304 1.00 0.00 N ATOM 729 CA GLY A 49 -0.302 11.941 -3.636 1.00 0.00 C ATOM 730 C GLY A 49 -0.890 10.694 -4.265 1.00 0.00 C ATOM 731 O GLY A 49 -1.034 10.615 -5.485 1.00 0.00 O ATOM 0 H GLY A 49 -0.452 11.826 -1.549 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -1.068 12.715 -3.586 1.00 0.00 H new ATOM 0 HA3 GLY A 49 0.496 12.323 -4.272 1.00 0.00 H new ATOM 735 N ALA A 50 -1.228 9.715 -3.432 1.00 0.00 N ATOM 736 CA ALA A 50 -1.804 8.466 -3.914 1.00 0.00 C ATOM 737 C ALA A 50 -3.327 8.538 -3.943 1.00 0.00 C ATOM 738 O ALA A 50 -3.943 9.203 -3.110 1.00 0.00 O ATOM 739 CB ALA A 50 -1.345 7.304 -3.046 1.00 0.00 C ATOM 0 H ALA A 50 -1.113 9.763 -2.420 1.00 0.00 H new ATOM 0 HA ALA A 50 -1.455 8.304 -4.934 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.783 6.377 -3.417 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -0.258 7.231 -3.081 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.665 7.470 -2.017 1.00 0.00 H new ATOM 745 N LYS A 51 -3.929 7.851 -4.907 1.00 0.00 N ATOM 746 CA LYS A 51 -5.380 7.836 -5.045 1.00 0.00 C ATOM 747 C LYS A 51 -5.988 6.667 -4.276 1.00 0.00 C ATOM 748 O LYS A 51 -5.567 5.521 -4.435 1.00 0.00 O ATOM 749 CB LYS A 51 -5.772 7.747 -6.522 1.00 0.00 C ATOM 750 CG LYS A 51 -5.663 9.069 -7.261 1.00 0.00 C ATOM 751 CD LYS A 51 -4.221 9.393 -7.616 1.00 0.00 C ATOM 752 CE LYS A 51 -4.138 10.501 -8.654 1.00 0.00 C ATOM 753 NZ LYS A 51 -2.800 11.155 -8.661 1.00 0.00 N ATOM 0 H LYS A 51 -3.434 7.296 -5.605 1.00 0.00 H new ATOM 0 HA LYS A 51 -5.769 8.765 -4.627 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -5.136 7.012 -7.014 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -6.797 7.382 -6.596 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -6.262 9.029 -8.171 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -6.075 9.867 -6.643 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -3.683 9.694 -6.717 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -3.729 8.498 -7.997 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -4.346 10.090 -9.642 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -4.906 11.247 -8.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -2.784 11.904 -9.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -2.611 11.570 -7.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -2.069 10.448 -8.880 1.00 0.00 H new ATOM 767 N TYR A 52 -6.980 6.965 -3.444 1.00 0.00 N ATOM 768 CA TYR A 52 -7.645 5.939 -2.650 1.00 0.00 C ATOM 769 C TYR A 52 -8.947 5.496 -3.312 1.00 0.00 C ATOM 770 O TYR A 52 -9.921 6.247 -3.356 1.00 0.00 O ATOM 771 CB TYR A 52 -7.929 6.459 -1.240 1.00 0.00 C ATOM 772 CG TYR A 52 -9.141 5.828 -0.594 1.00 0.00 C ATOM 773 CD1 TYR A 52 -9.333 4.453 -0.625 1.00 0.00 C ATOM 774 CD2 TYR A 52 -10.094 6.608 0.049 1.00 0.00 C ATOM 775 CE1 TYR A 52 -10.440 3.872 -0.036 1.00 0.00 C ATOM 776 CE2 TYR A 52 -11.204 6.036 0.642 1.00 0.00 C ATOM 777 CZ TYR A 52 -11.372 4.668 0.596 1.00 0.00 C ATOM 778 OH TYR A 52 -12.475 4.093 1.185 1.00 0.00 O ATOM 0 H TYR A 52 -7.341 7.908 -3.302 1.00 0.00 H new ATOM 0 HA TYR A 52 -6.979 5.078 -2.586 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -7.057 6.276 -0.612 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -8.071 7.539 -1.282 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -8.604 3.827 -1.118 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -9.965 7.680 0.086 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -10.574 2.801 -0.070 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -11.935 6.657 1.138 1.00 0.00 H new ATOM 0 HH TYR A 52 -13.032 4.791 1.588 1.00 0.00 H new ATOM 788 N ARG A 53 -8.954 4.270 -3.824 1.00 0.00 N ATOM 789 CA ARG A 53 -10.135 3.725 -4.485 1.00 0.00 C ATOM 790 C ARG A 53 -10.829 2.697 -3.596 1.00 0.00 C ATOM 791 O ARG A 53 -10.189 1.923 -2.883 1.00 0.00 O ATOM 792 CB ARG A 53 -9.749 3.084 -5.819 1.00 0.00 C ATOM 793 CG ARG A 53 -9.143 4.063 -6.812 1.00 0.00 C ATOM 794 CD ARG A 53 -10.199 4.985 -7.400 1.00 0.00 C ATOM 795 NE ARG A 53 -9.605 6.113 -8.113 1.00 0.00 N ATOM 796 CZ ARG A 53 -8.976 5.997 -9.277 1.00 0.00 C ATOM 797 NH1 ARG A 53 -8.860 4.810 -9.856 1.00 0.00 N ATOM 798 NH2 ARG A 53 -8.462 7.070 -9.864 1.00 0.00 N ATOM 0 H ARG A 53 -8.156 3.635 -3.794 1.00 0.00 H new ATOM 0 HA ARG A 53 -10.828 4.546 -4.671 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -9.037 2.280 -5.634 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -10.634 2.629 -6.264 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -8.375 4.657 -6.317 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -8.652 3.512 -7.614 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -10.835 4.420 -8.081 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -10.840 5.358 -6.601 1.00 0.00 H new ATOM 0 HE ARG A 53 -9.677 7.040 -7.694 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -9.254 3.983 -9.408 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -8.376 4.724 -10.750 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -8.550 7.985 -9.421 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -7.979 6.980 -10.758 1.00 0.00 H new ATOM 812 N PRO A 54 -12.169 2.687 -3.638 1.00 0.00 N ATOM 813 CA PRO A 54 -12.980 1.759 -2.843 1.00 0.00 C ATOM 814 C PRO A 54 -12.857 0.319 -3.329 1.00 0.00 C ATOM 815 O PRO A 54 -13.207 -0.619 -2.614 1.00 0.00 O ATOM 816 CB PRO A 54 -14.408 2.272 -3.046 1.00 0.00 C ATOM 817 CG PRO A 54 -14.373 2.983 -4.355 1.00 0.00 C ATOM 818 CD PRO A 54 -12.998 3.581 -4.464 1.00 0.00 C ATOM 0 HA PRO A 54 -12.666 1.734 -1.800 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -15.125 1.451 -3.060 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -14.706 2.942 -2.240 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -14.566 2.295 -5.178 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -15.140 3.756 -4.400 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -12.653 3.608 -5.497 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -12.975 4.606 -4.094 1.00 0.00 H new ATOM 826 N ASP A 55 -12.357 0.153 -4.549 1.00 0.00 N ATOM 827 CA ASP A 55 -12.187 -1.174 -5.130 1.00 0.00 C ATOM 828 C ASP A 55 -10.989 -1.203 -6.075 1.00 0.00 C ATOM 829 O ASP A 55 -10.498 -0.158 -6.502 1.00 0.00 O ATOM 830 CB ASP A 55 -13.453 -1.593 -5.879 1.00 0.00 C ATOM 831 CG ASP A 55 -13.960 -0.509 -6.811 1.00 0.00 C ATOM 832 OD1 ASP A 55 -13.124 0.230 -7.370 1.00 0.00 O ATOM 833 OD2 ASP A 55 -15.192 -0.401 -6.979 1.00 0.00 O ATOM 0 H ASP A 55 -12.063 0.920 -5.154 1.00 0.00 H new ATOM 0 HA ASP A 55 -12.005 -1.879 -4.318 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -13.249 -2.496 -6.454 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -14.232 -1.842 -5.159 1.00 0.00 H new ATOM 838 N TRP A 56 -10.524 -2.405 -6.395 1.00 0.00 N ATOM 839 CA TRP A 56 -9.383 -2.570 -7.288 1.00 0.00 C ATOM 840 C TRP A 56 -9.758 -2.213 -8.722 1.00 0.00 C ATOM 841 O TRP A 56 -10.443 -2.977 -9.404 1.00 0.00 O ATOM 842 CB TRP A 56 -8.864 -4.008 -7.226 1.00 0.00 C ATOM 843 CG TRP A 56 -7.526 -4.185 -7.878 1.00 0.00 C ATOM 844 CD1 TRP A 56 -7.265 -4.833 -9.051 1.00 0.00 C ATOM 845 CD2 TRP A 56 -6.267 -3.709 -7.391 1.00 0.00 C ATOM 846 NE1 TRP A 56 -5.919 -4.789 -9.323 1.00 0.00 N ATOM 847 CE2 TRP A 56 -5.285 -4.104 -8.321 1.00 0.00 C ATOM 848 CE3 TRP A 56 -5.873 -2.986 -6.262 1.00 0.00 C ATOM 849 CZ2 TRP A 56 -3.936 -3.800 -8.153 1.00 0.00 C ATOM 850 CZ3 TRP A 56 -4.534 -2.685 -6.097 1.00 0.00 C ATOM 851 CH2 TRP A 56 -3.579 -3.091 -7.038 1.00 0.00 C ATOM 0 H TRP A 56 -10.919 -3.280 -6.050 1.00 0.00 H new ATOM 0 HA TRP A 56 -8.595 -1.893 -6.959 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -8.796 -4.317 -6.183 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -9.585 -4.668 -7.708 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -8.007 -5.310 -9.674 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -5.465 -5.200 -10.139 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -6.602 -2.668 -5.531 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -3.198 -4.113 -8.877 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -4.219 -2.127 -5.228 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -2.541 -2.840 -6.881 1.00 0.00 H new ATOM 862 N THR A 57 -9.306 -1.048 -9.176 1.00 0.00 N ATOM 863 CA THR A 57 -9.595 -0.590 -10.529 1.00 0.00 C ATOM 864 C THR A 57 -8.508 -1.031 -11.503 1.00 0.00 C ATOM 865 O THR A 57 -7.556 -1.710 -11.119 1.00 0.00 O ATOM 866 CB THR A 57 -9.729 0.943 -10.586 1.00 0.00 C ATOM 867 OG1 THR A 57 -8.508 1.558 -10.162 1.00 0.00 O ATOM 868 CG2 THR A 57 -10.875 1.419 -9.706 1.00 0.00 C ATOM 0 H THR A 57 -8.738 -0.404 -8.626 1.00 0.00 H new ATOM 0 HA THR A 57 -10.544 -1.041 -10.820 1.00 0.00 H new ATOM 0 HB THR A 57 -9.940 1.229 -11.616 1.00 0.00 H new ATOM 0 HG1 THR A 57 -8.398 2.417 -10.620 1.00 0.00 H new ATOM 0 HG21 THR A 57 -10.950 2.505 -9.762 1.00 0.00 H new ATOM 0 HG22 THR A 57 -11.808 0.972 -10.050 1.00 0.00 H new ATOM 0 HG23 THR A 57 -10.689 1.121 -8.674 1.00 0.00 H new ATOM 876 N ARG A 58 -8.656 -0.640 -12.764 1.00 0.00 N ATOM 877 CA ARG A 58 -7.687 -0.995 -13.793 1.00 0.00 C ATOM 878 C ARG A 58 -6.495 -0.042 -13.769 1.00 0.00 C ATOM 879 O ARG A 58 -5.574 -0.164 -14.577 1.00 0.00 O ATOM 880 CB ARG A 58 -8.345 -0.971 -15.174 1.00 0.00 C ATOM 881 CG ARG A 58 -9.415 -2.035 -15.357 1.00 0.00 C ATOM 882 CD ARG A 58 -9.818 -2.174 -16.817 1.00 0.00 C ATOM 883 NE ARG A 58 -8.750 -2.754 -17.627 1.00 0.00 N ATOM 884 CZ ARG A 58 -8.906 -3.121 -18.894 1.00 0.00 C ATOM 885 NH1 ARG A 58 -10.079 -2.969 -19.493 1.00 0.00 N ATOM 886 NH2 ARG A 58 -7.887 -3.642 -19.565 1.00 0.00 N ATOM 0 H ARG A 58 -9.438 -0.077 -13.098 1.00 0.00 H new ATOM 0 HA ARG A 58 -7.329 -2.003 -13.587 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -8.789 0.011 -15.339 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -7.577 -1.105 -15.936 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -9.045 -2.992 -14.988 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -10.290 -1.779 -14.760 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -10.708 -2.799 -16.889 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -10.083 -1.194 -17.215 1.00 0.00 H new ATOM 0 HE ARG A 58 -7.835 -2.884 -17.196 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -10.865 -2.569 -18.981 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -10.195 -3.252 -20.466 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -6.983 -3.761 -19.108 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -8.008 -3.924 -20.538 1.00 0.00 H new ATOM 900 N ASP A 59 -6.520 0.906 -12.839 1.00 0.00 N ATOM 901 CA ASP A 59 -5.442 1.879 -12.710 1.00 0.00 C ATOM 902 C ASP A 59 -4.650 1.644 -11.428 1.00 0.00 C ATOM 903 O ASP A 59 -3.593 2.241 -11.222 1.00 0.00 O ATOM 904 CB ASP A 59 -6.006 3.301 -12.722 1.00 0.00 C ATOM 905 CG ASP A 59 -4.989 4.322 -13.193 1.00 0.00 C ATOM 906 OD1 ASP A 59 -3.989 4.537 -12.477 1.00 0.00 O ATOM 907 OD2 ASP A 59 -5.194 4.906 -14.277 1.00 0.00 O ATOM 0 H ASP A 59 -7.275 1.021 -12.163 1.00 0.00 H new ATOM 0 HA ASP A 59 -4.770 1.756 -13.559 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -6.880 3.337 -13.372 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -6.343 3.564 -11.719 1.00 0.00 H new ATOM 912 N SER A 60 -5.168 0.772 -10.569 1.00 0.00 N ATOM 913 CA SER A 60 -4.511 0.462 -9.304 1.00 0.00 C ATOM 914 C SER A 60 -3.074 0.003 -9.537 1.00 0.00 C ATOM 915 O SER A 60 -2.817 -0.881 -10.354 1.00 0.00 O ATOM 916 CB SER A 60 -5.289 -0.619 -8.553 1.00 0.00 C ATOM 917 OG SER A 60 -6.509 -0.109 -8.044 1.00 0.00 O ATOM 0 H SER A 60 -6.041 0.268 -10.726 1.00 0.00 H new ATOM 0 HA SER A 60 -4.491 1.370 -8.701 1.00 0.00 H new ATOM 0 HB2 SER A 60 -5.492 -1.456 -9.221 1.00 0.00 H new ATOM 0 HB3 SER A 60 -4.683 -1.005 -7.734 1.00 0.00 H new ATOM 0 HG SER A 60 -6.337 0.723 -7.555 1.00 0.00 H new ATOM 923 N THR A 61 -2.141 0.610 -8.810 1.00 0.00 N ATOM 924 CA THR A 61 -0.730 0.265 -8.937 1.00 0.00 C ATOM 925 C THR A 61 -0.231 -0.470 -7.699 1.00 0.00 C ATOM 926 O THR A 61 0.648 -1.323 -7.819 1.00 0.00 O ATOM 927 CB THR A 61 0.136 1.519 -9.160 1.00 0.00 C ATOM 928 OG1 THR A 61 -0.045 2.439 -8.077 1.00 0.00 O ATOM 929 CG2 THR A 61 -0.221 2.197 -10.474 1.00 0.00 C ATOM 0 H THR A 61 -2.337 1.342 -8.128 1.00 0.00 H new ATOM 0 HA THR A 61 -0.640 -0.389 -9.805 1.00 0.00 H new ATOM 0 HB THR A 61 1.180 1.209 -9.202 1.00 0.00 H new ATOM 0 HG1 THR A 61 0.474 2.138 -7.302 1.00 0.00 H new ATOM 0 HG21 THR A 61 0.404 3.080 -10.609 1.00 0.00 H new ATOM 0 HG22 THR A 61 -0.053 1.504 -11.298 1.00 0.00 H new ATOM 0 HG23 THR A 61 -1.270 2.494 -10.457 1.00 0.00 H new ATOM 937 N HIS A 62 -0.795 -0.131 -6.549 1.00 0.00 N ATOM 938 CA HIS A 62 -0.398 -0.767 -5.304 1.00 0.00 C ATOM 939 C HIS A 62 -1.639 -1.057 -4.458 1.00 0.00 C ATOM 940 O HIS A 62 -2.610 -0.300 -4.441 1.00 0.00 O ATOM 941 CB HIS A 62 0.638 0.083 -4.566 1.00 0.00 C ATOM 942 CG HIS A 62 1.786 0.542 -5.432 1.00 0.00 C ATOM 943 ND1 HIS A 62 1.609 1.323 -6.561 1.00 0.00 N ATOM 944 CD2 HIS A 62 3.128 0.322 -5.323 1.00 0.00 C ATOM 945 CE1 HIS A 62 2.797 1.555 -7.100 1.00 0.00 C ATOM 946 NE2 HIS A 62 3.737 0.934 -6.331 1.00 0.00 N ATOM 0 H HIS A 62 -1.524 0.576 -6.453 1.00 0.00 H new ATOM 0 HA HIS A 62 0.085 -1.721 -5.516 1.00 0.00 H new ATOM 0 HB2 HIS A 62 0.142 0.957 -4.145 1.00 0.00 H new ATOM 0 HB3 HIS A 62 1.035 -0.492 -3.729 1.00 0.00 H new ATOM 0 HD2 HIS A 62 3.613 -0.253 -4.548 1.00 0.00 H new ATOM 0 HE1 HIS A 62 2.988 2.134 -7.992 1.00 0.00 H new ATOM 0 HE2 HIS A 62 4.742 0.939 -6.502 1.00 0.00 H new ATOM 954 N LEU A 63 -1.586 -2.180 -3.750 1.00 0.00 N ATOM 955 CA LEU A 63 -2.690 -2.597 -2.893 1.00 0.00 C ATOM 956 C LEU A 63 -2.274 -2.584 -1.425 1.00 0.00 C ATOM 957 O LEU A 63 -1.313 -3.248 -1.036 1.00 0.00 O ATOM 958 CB LEU A 63 -3.167 -3.996 -3.287 1.00 0.00 C ATOM 959 CG LEU A 63 -4.088 -4.697 -2.288 1.00 0.00 C ATOM 960 CD1 LEU A 63 -5.456 -4.032 -2.265 1.00 0.00 C ATOM 961 CD2 LEU A 63 -4.218 -6.175 -2.628 1.00 0.00 C ATOM 0 H LEU A 63 -0.790 -2.818 -3.753 1.00 0.00 H new ATOM 0 HA LEU A 63 -3.509 -1.890 -3.026 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -3.687 -3.925 -4.242 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.291 -4.625 -3.447 1.00 0.00 H new ATOM 0 HG LEU A 63 -3.647 -4.610 -1.295 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -6.098 -4.545 -1.548 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -5.348 -2.987 -1.973 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -5.904 -4.087 -3.257 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -4.877 -6.658 -1.906 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -4.635 -6.283 -3.629 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -3.235 -6.644 -2.592 1.00 0.00 H new ATOM 973 N ILE A 64 -3.006 -1.826 -0.615 1.00 0.00 N ATOM 974 CA ILE A 64 -2.715 -1.730 0.810 1.00 0.00 C ATOM 975 C ILE A 64 -3.452 -2.810 1.595 1.00 0.00 C ATOM 976 O ILE A 64 -4.587 -2.610 2.030 1.00 0.00 O ATOM 977 CB ILE A 64 -3.101 -0.349 1.371 1.00 0.00 C ATOM 978 CG1 ILE A 64 -2.460 0.762 0.537 1.00 0.00 C ATOM 979 CG2 ILE A 64 -2.681 -0.233 2.829 1.00 0.00 C ATOM 980 CD1 ILE A 64 -0.955 0.830 0.675 1.00 0.00 C ATOM 0 H ILE A 64 -3.804 -1.270 -0.921 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.640 -1.871 0.923 1.00 0.00 H new ATOM 0 HB ILE A 64 -4.184 -0.241 1.315 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -2.714 0.610 -0.512 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -2.887 1.720 0.833 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -2.961 0.749 3.211 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -3.180 -1.006 3.414 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -1.601 -0.359 2.908 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -0.569 1.640 0.056 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -0.693 1.013 1.717 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -0.517 -0.114 0.351 1.00 0.00 H new ATOM 992 N CYS A 65 -2.798 -3.952 1.775 1.00 0.00 N ATOM 993 CA CYS A 65 -3.391 -5.064 2.510 1.00 0.00 C ATOM 994 C CYS A 65 -2.998 -5.014 3.983 1.00 0.00 C ATOM 995 O CYS A 65 -1.881 -4.627 4.325 1.00 0.00 O ATOM 996 CB CYS A 65 -2.955 -6.397 1.899 1.00 0.00 C ATOM 997 SG CYS A 65 -3.832 -7.833 2.559 1.00 0.00 S ATOM 0 H CYS A 65 -1.858 -4.132 1.423 1.00 0.00 H new ATOM 0 HA CYS A 65 -4.475 -4.977 2.439 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -3.106 -6.357 0.820 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -1.886 -6.529 2.067 1.00 0.00 H new ATOM 0 HG CYS A 65 -3.014 -8.553 3.268 1.00 0.00 H new ATOM 1003 N ALA A 66 -3.925 -5.406 4.851 1.00 0.00 N ATOM 1004 CA ALA A 66 -3.675 -5.405 6.287 1.00 0.00 C ATOM 1005 C ALA A 66 -3.040 -6.718 6.734 1.00 0.00 C ATOM 1006 O ALA A 66 -2.256 -6.749 7.683 1.00 0.00 O ATOM 1007 CB ALA A 66 -4.969 -5.156 7.048 1.00 0.00 C ATOM 0 H ALA A 66 -4.855 -5.728 4.585 1.00 0.00 H new ATOM 0 HA ALA A 66 -2.975 -4.599 6.509 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -4.767 -5.158 8.119 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -5.381 -4.190 6.758 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -5.687 -5.942 6.813 1.00 0.00 H new ATOM 1013 N PHE A 67 -3.385 -7.801 6.046 1.00 0.00 N ATOM 1014 CA PHE A 67 -2.851 -9.118 6.374 1.00 0.00 C ATOM 1015 C PHE A 67 -3.061 -10.093 5.219 1.00 0.00 C ATOM 1016 O PHE A 67 -4.010 -9.962 4.447 1.00 0.00 O ATOM 1017 CB PHE A 67 -3.514 -9.660 7.641 1.00 0.00 C ATOM 1018 CG PHE A 67 -4.951 -9.247 7.789 1.00 0.00 C ATOM 1019 CD1 PHE A 67 -5.950 -9.905 7.089 1.00 0.00 C ATOM 1020 CD2 PHE A 67 -5.302 -8.203 8.629 1.00 0.00 C ATOM 1021 CE1 PHE A 67 -7.272 -9.526 7.223 1.00 0.00 C ATOM 1022 CE2 PHE A 67 -6.623 -7.821 8.768 1.00 0.00 C ATOM 1023 CZ PHE A 67 -7.610 -8.484 8.064 1.00 0.00 C ATOM 0 H PHE A 67 -4.032 -7.793 5.258 1.00 0.00 H new ATOM 0 HA PHE A 67 -1.780 -9.015 6.549 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -3.456 -10.748 7.635 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -2.954 -9.316 8.510 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -5.692 -10.723 6.432 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -4.535 -7.681 9.182 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -8.041 -10.045 6.670 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -6.883 -7.005 9.426 1.00 0.00 H new ATOM 0 HZ PHE A 67 -8.643 -8.188 8.171 1.00 0.00 H new ATOM 1033 N ALA A 68 -2.166 -11.070 5.107 1.00 0.00 N ATOM 1034 CA ALA A 68 -2.254 -12.068 4.049 1.00 0.00 C ATOM 1035 C ALA A 68 -3.458 -12.980 4.253 1.00 0.00 C ATOM 1036 O ALA A 68 -4.232 -12.802 5.193 1.00 0.00 O ATOM 1037 CB ALA A 68 -0.973 -12.887 3.989 1.00 0.00 C ATOM 0 H ALA A 68 -1.372 -11.191 5.736 1.00 0.00 H new ATOM 0 HA ALA A 68 -2.384 -11.546 3.101 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -1.052 -13.629 3.194 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -0.129 -12.228 3.787 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -0.819 -13.392 4.943 1.00 0.00 H new ATOM 1043 N ASN A 69 -3.612 -13.957 3.365 1.00 0.00 N ATOM 1044 CA ASN A 69 -4.724 -14.897 3.447 1.00 0.00 C ATOM 1045 C ASN A 69 -6.060 -14.172 3.314 1.00 0.00 C ATOM 1046 O ASN A 69 -6.955 -14.338 4.143 1.00 0.00 O ATOM 1047 CB ASN A 69 -4.676 -15.662 4.771 1.00 0.00 C ATOM 1048 CG ASN A 69 -3.851 -16.931 4.677 1.00 0.00 C ATOM 1049 OD1 ASN A 69 -3.852 -17.610 3.650 1.00 0.00 O ATOM 1050 ND2 ASN A 69 -3.140 -17.256 5.750 1.00 0.00 N ATOM 0 H ASN A 69 -2.981 -14.118 2.580 1.00 0.00 H new ATOM 0 HA ASN A 69 -4.631 -15.604 2.623 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -4.259 -15.017 5.545 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -5.691 -15.914 5.079 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -2.564 -18.098 5.745 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -3.169 -16.664 6.580 1.00 0.00 H new ATOM 1057 N THR A 70 -6.188 -13.367 2.263 1.00 0.00 N ATOM 1058 CA THR A 70 -7.413 -12.616 2.021 1.00 0.00 C ATOM 1059 C THR A 70 -7.915 -12.828 0.597 1.00 0.00 C ATOM 1060 O THR A 70 -7.159 -13.183 -0.307 1.00 0.00 O ATOM 1061 CB THR A 70 -7.205 -11.109 2.261 1.00 0.00 C ATOM 1062 OG1 THR A 70 -5.904 -10.716 1.811 1.00 0.00 O ATOM 1063 CG2 THR A 70 -7.361 -10.769 3.736 1.00 0.00 C ATOM 0 H THR A 70 -5.458 -13.219 1.566 1.00 0.00 H new ATOM 0 HA THR A 70 -8.157 -12.989 2.725 1.00 0.00 H new ATOM 0 HB THR A 70 -7.963 -10.566 1.697 1.00 0.00 H new ATOM 0 HG1 THR A 70 -5.657 -9.864 2.228 1.00 0.00 H new ATOM 0 HG21 THR A 70 -7.210 -9.699 3.881 1.00 0.00 H new ATOM 0 HG22 THR A 70 -8.363 -11.042 4.068 1.00 0.00 H new ATOM 0 HG23 THR A 70 -6.623 -11.322 4.317 1.00 0.00 H new ATOM 1071 N PRO A 71 -9.222 -12.605 0.390 1.00 0.00 N ATOM 1072 CA PRO A 71 -9.853 -12.764 -0.923 1.00 0.00 C ATOM 1073 C PRO A 71 -9.413 -11.690 -1.912 1.00 0.00 C ATOM 1074 O PRO A 71 -9.551 -11.854 -3.125 1.00 0.00 O ATOM 1075 CB PRO A 71 -11.347 -12.628 -0.616 1.00 0.00 C ATOM 1076 CG PRO A 71 -11.406 -11.813 0.629 1.00 0.00 C ATOM 1077 CD PRO A 71 -10.182 -12.179 1.422 1.00 0.00 C ATOM 0 HA PRO A 71 -9.584 -13.710 -1.393 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -11.876 -12.140 -1.434 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -11.812 -13.603 -0.473 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -11.417 -10.748 0.398 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -12.314 -12.026 1.192 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -9.806 -11.331 1.995 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -10.388 -12.979 2.134 1.00 0.00 H new ATOM 1085 N LYS A 72 -8.883 -10.591 -1.387 1.00 0.00 N ATOM 1086 CA LYS A 72 -8.420 -9.489 -2.224 1.00 0.00 C ATOM 1087 C LYS A 72 -6.925 -9.608 -2.501 1.00 0.00 C ATOM 1088 O LYS A 72 -6.449 -9.219 -3.568 1.00 0.00 O ATOM 1089 CB LYS A 72 -8.720 -8.149 -1.550 1.00 0.00 C ATOM 1090 CG LYS A 72 -8.791 -6.982 -2.520 1.00 0.00 C ATOM 1091 CD LYS A 72 -10.202 -6.779 -3.045 1.00 0.00 C ATOM 1092 CE LYS A 72 -10.199 -6.072 -4.392 1.00 0.00 C ATOM 1093 NZ LYS A 72 -10.133 -7.036 -5.525 1.00 0.00 N ATOM 0 H LYS A 72 -8.763 -10.439 -0.386 1.00 0.00 H new ATOM 0 HA LYS A 72 -8.953 -9.538 -3.174 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -9.667 -8.225 -1.016 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -7.950 -7.946 -0.806 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -8.453 -6.073 -2.023 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -8.113 -7.160 -3.355 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -10.698 -7.745 -3.141 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -10.778 -6.195 -2.327 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -11.099 -5.464 -4.485 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -9.348 -5.392 -4.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -10.133 -6.515 -6.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -9.262 -7.599 -5.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -10.958 -7.668 -5.491 1.00 0.00 H new ATOM 1107 N TYR A 73 -6.190 -10.147 -1.535 1.00 0.00 N ATOM 1108 CA TYR A 73 -4.748 -10.316 -1.674 1.00 0.00 C ATOM 1109 C TYR A 73 -4.414 -11.149 -2.908 1.00 0.00 C ATOM 1110 O TYR A 73 -3.689 -10.700 -3.796 1.00 0.00 O ATOM 1111 CB TYR A 73 -4.168 -10.980 -0.425 1.00 0.00 C ATOM 1112 CG TYR A 73 -2.792 -11.570 -0.636 1.00 0.00 C ATOM 1113 CD1 TYR A 73 -2.636 -12.882 -1.066 1.00 0.00 C ATOM 1114 CD2 TYR A 73 -1.648 -10.816 -0.406 1.00 0.00 C ATOM 1115 CE1 TYR A 73 -1.381 -13.426 -1.260 1.00 0.00 C ATOM 1116 CE2 TYR A 73 -0.389 -11.351 -0.599 1.00 0.00 C ATOM 1117 CZ TYR A 73 -0.261 -12.656 -1.026 1.00 0.00 C ATOM 1118 OH TYR A 73 0.992 -13.194 -1.218 1.00 0.00 O ATOM 0 H TYR A 73 -6.569 -10.475 -0.647 1.00 0.00 H new ATOM 0 HA TYR A 73 -4.302 -9.328 -1.792 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -4.119 -10.244 0.378 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -4.845 -11.768 -0.095 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -3.511 -13.487 -1.252 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -1.745 -9.794 -0.071 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -1.278 -14.448 -1.593 1.00 0.00 H new ATOM 0 HE2 TYR A 73 0.490 -10.751 -0.417 1.00 0.00 H new ATOM 0 HH TYR A 73 1.673 -12.520 -1.010 1.00 0.00 H new ATOM 1128 N SER A 74 -4.950 -12.364 -2.956 1.00 0.00 N ATOM 1129 CA SER A 74 -4.707 -13.263 -4.079 1.00 0.00 C ATOM 1130 C SER A 74 -5.214 -12.653 -5.382 1.00 0.00 C ATOM 1131 O SER A 74 -4.479 -12.566 -6.365 1.00 0.00 O ATOM 1132 CB SER A 74 -5.386 -14.612 -3.836 1.00 0.00 C ATOM 1133 OG SER A 74 -4.674 -15.662 -4.466 1.00 0.00 O ATOM 0 H SER A 74 -5.555 -12.749 -2.231 1.00 0.00 H new ATOM 0 HA SER A 74 -3.631 -13.416 -4.164 1.00 0.00 H new ATOM 0 HB2 SER A 74 -5.449 -14.803 -2.765 1.00 0.00 H new ATOM 0 HB3 SER A 74 -6.407 -14.582 -4.215 1.00 0.00 H new ATOM 0 HG SER A 74 -5.127 -16.514 -4.294 1.00 0.00 H new ATOM 1139 N GLN A 75 -6.474 -12.232 -5.380 1.00 0.00 N ATOM 1140 CA GLN A 75 -7.080 -11.631 -6.562 1.00 0.00 C ATOM 1141 C GLN A 75 -6.122 -10.647 -7.225 1.00 0.00 C ATOM 1142 O GLN A 75 -5.766 -10.802 -8.393 1.00 0.00 O ATOM 1143 CB GLN A 75 -8.382 -10.920 -6.189 1.00 0.00 C ATOM 1144 CG GLN A 75 -9.131 -10.353 -7.384 1.00 0.00 C ATOM 1145 CD GLN A 75 -9.798 -11.429 -8.218 1.00 0.00 C ATOM 1146 OE1 GLN A 75 -9.130 -12.291 -8.791 1.00 0.00 O ATOM 1147 NE2 GLN A 75 -11.124 -11.386 -8.290 1.00 0.00 N ATOM 0 H GLN A 75 -7.095 -12.296 -4.573 1.00 0.00 H new ATOM 0 HA GLN A 75 -7.300 -12.429 -7.271 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -9.031 -11.621 -5.663 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -8.158 -10.111 -5.494 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -9.886 -9.649 -7.034 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -8.437 -9.791 -8.010 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -11.638 -10.654 -7.799 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -11.628 -12.085 -8.836 1.00 0.00 H new ATOM 1156 N VAL A 76 -5.707 -9.634 -6.471 1.00 0.00 N ATOM 1157 CA VAL A 76 -4.789 -8.624 -6.984 1.00 0.00 C ATOM 1158 C VAL A 76 -3.413 -9.221 -7.258 1.00 0.00 C ATOM 1159 O VAL A 76 -2.586 -8.616 -7.941 1.00 0.00 O ATOM 1160 CB VAL A 76 -4.640 -7.448 -6.001 1.00 0.00 C ATOM 1161 CG1 VAL A 76 -3.781 -6.349 -6.608 1.00 0.00 C ATOM 1162 CG2 VAL A 76 -6.007 -6.910 -5.603 1.00 0.00 C ATOM 0 H VAL A 76 -5.992 -9.491 -5.502 1.00 0.00 H new ATOM 0 HA VAL A 76 -5.215 -8.255 -7.917 1.00 0.00 H new ATOM 0 HB VAL A 76 -4.141 -7.810 -5.102 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -3.687 -5.527 -5.899 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -2.792 -6.745 -6.837 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -4.248 -5.986 -7.524 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -5.883 -6.079 -4.908 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -6.535 -6.564 -6.492 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -6.584 -7.701 -5.124 1.00 0.00 H new ATOM 1172 N LEU A 77 -3.174 -10.412 -6.720 1.00 0.00 N ATOM 1173 CA LEU A 77 -1.897 -11.093 -6.907 1.00 0.00 C ATOM 1174 C LEU A 77 -1.792 -11.679 -8.311 1.00 0.00 C ATOM 1175 O LEU A 77 -0.786 -11.499 -8.996 1.00 0.00 O ATOM 1176 CB LEU A 77 -1.731 -12.201 -5.865 1.00 0.00 C ATOM 1177 CG LEU A 77 -0.293 -12.564 -5.495 1.00 0.00 C ATOM 1178 CD1 LEU A 77 -0.265 -13.421 -4.239 1.00 0.00 C ATOM 1179 CD2 LEU A 77 0.390 -13.284 -6.649 1.00 0.00 C ATOM 0 H LEU A 77 -3.847 -10.926 -6.151 1.00 0.00 H new ATOM 0 HA LEU A 77 -1.100 -10.360 -6.780 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.254 -11.900 -4.957 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.227 -13.098 -6.236 1.00 0.00 H new ATOM 0 HG LEU A 77 0.253 -11.642 -5.294 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.767 -13.670 -3.991 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.714 -12.870 -3.413 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.828 -14.338 -4.412 1.00 0.00 H new ATOM 0 HD21 LEU A 77 1.413 -13.534 -6.367 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -0.156 -14.198 -6.882 1.00 0.00 H new ATOM 0 HD23 LEU A 77 0.403 -12.636 -7.525 1.00 0.00 H new ATOM 1191 N GLY A 78 -2.840 -12.379 -8.735 1.00 0.00 N ATOM 1192 CA GLY A 78 -2.846 -12.979 -10.056 1.00 0.00 C ATOM 1193 C GLY A 78 -2.958 -11.947 -11.161 1.00 0.00 C ATOM 1194 O GLY A 78 -2.358 -12.098 -12.225 1.00 0.00 O ATOM 0 H GLY A 78 -3.685 -12.541 -8.187 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -1.932 -13.556 -10.194 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -3.679 -13.678 -10.130 1.00 0.00 H new ATOM 1198 N LEU A 79 -3.729 -10.895 -10.909 1.00 0.00 N ATOM 1199 CA LEU A 79 -3.920 -9.833 -11.892 1.00 0.00 C ATOM 1200 C LEU A 79 -2.579 -9.255 -12.335 1.00 0.00 C ATOM 1201 O LEU A 79 -2.331 -9.078 -13.527 1.00 0.00 O ATOM 1202 CB LEU A 79 -4.799 -8.725 -11.311 1.00 0.00 C ATOM 1203 CG LEU A 79 -6.296 -9.028 -11.234 1.00 0.00 C ATOM 1204 CD1 LEU A 79 -6.994 -8.040 -10.311 1.00 0.00 C ATOM 1205 CD2 LEU A 79 -6.919 -8.995 -12.622 1.00 0.00 C ATOM 0 H LEU A 79 -4.232 -10.754 -10.033 1.00 0.00 H new ATOM 0 HA LEU A 79 -4.416 -10.262 -12.763 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.443 -8.495 -10.307 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.661 -7.826 -11.912 1.00 0.00 H new ATOM 0 HG LEU A 79 -6.424 -10.030 -10.824 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -8.058 -8.271 -10.269 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -6.567 -8.112 -9.311 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -6.857 -7.028 -10.691 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -7.984 -9.213 -12.548 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -6.780 -8.006 -13.060 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -6.439 -9.742 -13.254 1.00 0.00 H new ATOM 1217 N GLY A 80 -1.717 -8.963 -11.366 1.00 0.00 N ATOM 1218 CA GLY A 80 -0.412 -8.410 -11.676 1.00 0.00 C ATOM 1219 C GLY A 80 -0.182 -7.063 -11.019 1.00 0.00 C ATOM 1220 O GLY A 80 0.540 -6.221 -11.551 1.00 0.00 O ATOM 0 H GLY A 80 -1.899 -9.100 -10.372 1.00 0.00 H new ATOM 0 HA2 GLY A 80 0.361 -9.106 -11.350 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -0.312 -8.306 -12.756 1.00 0.00 H new ATOM 1224 N GLY A 81 -0.800 -6.858 -9.860 1.00 0.00 N ATOM 1225 CA GLY A 81 -0.649 -5.601 -9.150 1.00 0.00 C ATOM 1226 C GLY A 81 0.403 -5.674 -8.061 1.00 0.00 C ATOM 1227 O GLY A 81 0.873 -6.758 -7.714 1.00 0.00 O ATOM 0 H GLY A 81 -1.403 -7.540 -9.400 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -0.381 -4.817 -9.858 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -1.605 -5.319 -8.709 1.00 0.00 H new ATOM 1231 N ARG A 82 0.774 -4.518 -7.521 1.00 0.00 N ATOM 1232 CA ARG A 82 1.779 -4.455 -6.466 1.00 0.00 C ATOM 1233 C ARG A 82 1.130 -4.564 -5.090 1.00 0.00 C ATOM 1234 O ARG A 82 0.630 -3.577 -4.549 1.00 0.00 O ATOM 1235 CB ARG A 82 2.573 -3.151 -6.566 1.00 0.00 C ATOM 1236 CG ARG A 82 3.997 -3.264 -6.047 1.00 0.00 C ATOM 1237 CD ARG A 82 4.877 -2.147 -6.588 1.00 0.00 C ATOM 1238 NE ARG A 82 5.395 -2.455 -7.919 1.00 0.00 N ATOM 1239 CZ ARG A 82 6.331 -1.735 -8.527 1.00 0.00 C ATOM 1240 NH1 ARG A 82 6.849 -0.672 -7.927 1.00 0.00 N ATOM 1241 NH2 ARG A 82 6.751 -2.078 -9.738 1.00 0.00 N ATOM 0 H ARG A 82 0.394 -3.612 -7.796 1.00 0.00 H new ATOM 0 HA ARG A 82 2.459 -5.297 -6.595 1.00 0.00 H new ATOM 0 HB2 ARG A 82 2.599 -2.830 -7.607 1.00 0.00 H new ATOM 0 HB3 ARG A 82 2.052 -2.374 -6.006 1.00 0.00 H new ATOM 0 HG2 ARG A 82 3.992 -3.230 -4.958 1.00 0.00 H new ATOM 0 HG3 ARG A 82 4.415 -4.229 -6.334 1.00 0.00 H new ATOM 0 HD2 ARG A 82 4.304 -1.221 -6.627 1.00 0.00 H new ATOM 0 HD3 ARG A 82 5.710 -1.978 -5.905 1.00 0.00 H new ATOM 0 HE ARG A 82 5.017 -3.267 -8.408 1.00 0.00 H new ATOM 0 HH11 ARG A 82 6.529 -0.405 -6.996 1.00 0.00 H new ATOM 0 HH12 ARG A 82 7.568 -0.121 -8.396 1.00 0.00 H new ATOM 0 HH21 ARG A 82 6.355 -2.895 -10.203 1.00 0.00 H new ATOM 0 HH22 ARG A 82 7.470 -1.525 -10.204 1.00 0.00 H new ATOM 1255 N ILE A 83 1.141 -5.768 -4.529 1.00 0.00 N ATOM 1256 CA ILE A 83 0.555 -6.005 -3.216 1.00 0.00 C ATOM 1257 C ILE A 83 1.545 -5.677 -2.104 1.00 0.00 C ATOM 1258 O ILE A 83 2.562 -6.353 -1.944 1.00 0.00 O ATOM 1259 CB ILE A 83 0.092 -7.466 -3.061 1.00 0.00 C ATOM 1260 CG1 ILE A 83 -0.897 -7.830 -4.170 1.00 0.00 C ATOM 1261 CG2 ILE A 83 -0.536 -7.680 -1.692 1.00 0.00 C ATOM 1262 CD1 ILE A 83 -1.164 -9.315 -4.277 1.00 0.00 C ATOM 0 H ILE A 83 1.550 -6.595 -4.964 1.00 0.00 H new ATOM 0 HA ILE A 83 -0.310 -5.347 -3.134 1.00 0.00 H new ATOM 0 HB ILE A 83 0.961 -8.119 -3.146 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -1.839 -7.312 -3.990 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -0.511 -7.469 -5.123 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -0.858 -8.717 -1.598 1.00 0.00 H new ATOM 0 HG22 ILE A 83 0.196 -7.456 -0.917 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -1.397 -7.021 -1.580 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -1.874 -9.500 -5.083 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -0.231 -9.838 -4.487 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -1.580 -9.679 -3.337 1.00 0.00 H new ATOM 1274 N VAL A 84 1.241 -4.635 -1.337 1.00 0.00 N ATOM 1275 CA VAL A 84 2.103 -4.218 -0.237 1.00 0.00 C ATOM 1276 C VAL A 84 1.322 -4.128 1.069 1.00 0.00 C ATOM 1277 O VAL A 84 0.091 -4.115 1.069 1.00 0.00 O ATOM 1278 CB VAL A 84 2.760 -2.855 -0.524 1.00 0.00 C ATOM 1279 CG1 VAL A 84 3.803 -2.986 -1.623 1.00 0.00 C ATOM 1280 CG2 VAL A 84 1.705 -1.824 -0.899 1.00 0.00 C ATOM 0 H VAL A 84 0.404 -4.064 -1.457 1.00 0.00 H new ATOM 0 HA VAL A 84 2.881 -4.975 -0.141 1.00 0.00 H new ATOM 0 HB VAL A 84 3.262 -2.515 0.382 1.00 0.00 H new ATOM 0 HG11 VAL A 84 4.256 -2.013 -1.812 1.00 0.00 H new ATOM 0 HG12 VAL A 84 4.574 -3.691 -1.311 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.328 -3.348 -2.535 1.00 0.00 H new ATOM 0 HG21 VAL A 84 2.187 -0.867 -1.099 1.00 0.00 H new ATOM 0 HG22 VAL A 84 1.173 -2.155 -1.791 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.999 -1.710 -0.077 1.00 0.00 H new ATOM 1290 N ARG A 85 2.047 -4.066 2.182 1.00 0.00 N ATOM 1291 CA ARG A 85 1.422 -3.978 3.496 1.00 0.00 C ATOM 1292 C ARG A 85 1.058 -2.534 3.830 1.00 0.00 C ATOM 1293 O ARG A 85 1.506 -1.600 3.165 1.00 0.00 O ATOM 1294 CB ARG A 85 2.358 -4.540 4.568 1.00 0.00 C ATOM 1295 CG ARG A 85 2.387 -6.059 4.615 1.00 0.00 C ATOM 1296 CD ARG A 85 3.053 -6.565 5.885 1.00 0.00 C ATOM 1297 NE ARG A 85 3.644 -7.888 5.704 1.00 0.00 N ATOM 1298 CZ ARG A 85 4.819 -8.094 5.120 1.00 0.00 C ATOM 1299 NH1 ARG A 85 5.526 -7.069 4.664 1.00 0.00 N ATOM 1300 NH2 ARG A 85 5.291 -9.328 4.992 1.00 0.00 N ATOM 0 H ARG A 85 3.067 -4.075 2.199 1.00 0.00 H new ATOM 0 HA ARG A 85 0.507 -4.570 3.475 1.00 0.00 H new ATOM 0 HB2 ARG A 85 3.368 -4.171 4.387 1.00 0.00 H new ATOM 0 HB3 ARG A 85 2.050 -4.160 5.542 1.00 0.00 H new ATOM 0 HG2 ARG A 85 1.369 -6.445 4.558 1.00 0.00 H new ATOM 0 HG3 ARG A 85 2.922 -6.441 3.745 1.00 0.00 H new ATOM 0 HD2 ARG A 85 3.827 -5.862 6.193 1.00 0.00 H new ATOM 0 HD3 ARG A 85 2.318 -6.603 6.689 1.00 0.00 H new ATOM 0 HE ARG A 85 3.126 -8.698 6.045 1.00 0.00 H new ATOM 0 HH11 ARG A 85 5.168 -6.119 4.761 1.00 0.00 H new ATOM 0 HH12 ARG A 85 6.428 -7.231 4.216 1.00 0.00 H new ATOM 0 HH21 ARG A 85 4.751 -10.119 5.342 1.00 0.00 H new ATOM 0 HH22 ARG A 85 6.193 -9.485 4.543 1.00 0.00 H new ATOM 1314 N LYS A 86 0.244 -2.359 4.865 1.00 0.00 N ATOM 1315 CA LYS A 86 -0.181 -1.030 5.289 1.00 0.00 C ATOM 1316 C LYS A 86 1.006 -0.216 5.796 1.00 0.00 C ATOM 1317 O LYS A 86 1.152 0.959 5.462 1.00 0.00 O ATOM 1318 CB LYS A 86 -1.245 -1.136 6.383 1.00 0.00 C ATOM 1319 CG LYS A 86 -0.714 -1.684 7.697 1.00 0.00 C ATOM 1320 CD LYS A 86 -1.840 -1.987 8.670 1.00 0.00 C ATOM 1321 CE LYS A 86 -1.304 -2.446 10.018 1.00 0.00 C ATOM 1322 NZ LYS A 86 -0.757 -1.312 10.813 1.00 0.00 N ATOM 0 H LYS A 86 -0.135 -3.122 5.426 1.00 0.00 H new ATOM 0 HA LYS A 86 -0.608 -0.520 4.425 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -1.674 -0.149 6.557 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -2.053 -1.778 6.031 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -0.141 -2.592 7.509 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -0.030 -0.962 8.144 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -2.454 -1.097 8.806 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -2.486 -2.759 8.252 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -2.102 -2.932 10.580 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -0.524 -3.191 9.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -0.311 -1.678 11.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -0.049 -0.801 10.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -1.529 -0.664 11.069 1.00 0.00 H new ATOM 1336 N GLU A 87 1.851 -0.850 6.603 1.00 0.00 N ATOM 1337 CA GLU A 87 3.024 -0.183 7.155 1.00 0.00 C ATOM 1338 C GLU A 87 3.711 0.674 6.096 1.00 0.00 C ATOM 1339 O GLU A 87 4.344 1.681 6.413 1.00 0.00 O ATOM 1340 CB GLU A 87 4.010 -1.214 7.710 1.00 0.00 C ATOM 1341 CG GLU A 87 4.916 -0.665 8.799 1.00 0.00 C ATOM 1342 CD GLU A 87 4.322 -0.817 10.185 1.00 0.00 C ATOM 1343 OE1 GLU A 87 3.098 -0.619 10.332 1.00 0.00 O ATOM 1344 OE2 GLU A 87 5.082 -1.133 11.124 1.00 0.00 O ATOM 0 H GLU A 87 1.745 -1.823 6.889 1.00 0.00 H new ATOM 0 HA GLU A 87 2.693 0.467 7.965 1.00 0.00 H new ATOM 0 HB2 GLU A 87 3.451 -2.062 8.107 1.00 0.00 H new ATOM 0 HB3 GLU A 87 4.625 -1.592 6.894 1.00 0.00 H new ATOM 0 HG2 GLU A 87 5.876 -1.180 8.761 1.00 0.00 H new ATOM 0 HG3 GLU A 87 5.112 0.390 8.606 1.00 0.00 H new ATOM 1351 N TRP A 88 3.582 0.267 4.839 1.00 0.00 N ATOM 1352 CA TRP A 88 4.191 0.997 3.733 1.00 0.00 C ATOM 1353 C TRP A 88 3.841 2.479 3.801 1.00 0.00 C ATOM 1354 O TRP A 88 4.721 3.338 3.741 1.00 0.00 O ATOM 1355 CB TRP A 88 3.732 0.413 2.395 1.00 0.00 C ATOM 1356 CG TRP A 88 4.399 1.045 1.211 1.00 0.00 C ATOM 1357 CD1 TRP A 88 5.739 1.243 1.034 1.00 0.00 C ATOM 1358 CD2 TRP A 88 3.757 1.563 0.041 1.00 0.00 C ATOM 1359 NE1 TRP A 88 5.968 1.853 -0.176 1.00 0.00 N ATOM 1360 CE2 TRP A 88 4.768 2.059 -0.804 1.00 0.00 C ATOM 1361 CE3 TRP A 88 2.426 1.655 -0.375 1.00 0.00 C ATOM 1362 CZ2 TRP A 88 4.488 2.638 -2.039 1.00 0.00 C ATOM 1363 CZ3 TRP A 88 2.150 2.230 -1.601 1.00 0.00 C ATOM 1364 CH2 TRP A 88 3.177 2.715 -2.422 1.00 0.00 C ATOM 0 H TRP A 88 3.061 -0.564 4.560 1.00 0.00 H new ATOM 0 HA TRP A 88 5.273 0.894 3.815 1.00 0.00 H new ATOM 0 HB2 TRP A 88 3.932 -0.658 2.387 1.00 0.00 H new ATOM 0 HB3 TRP A 88 2.653 0.536 2.304 1.00 0.00 H new ATOM 0 HD1 TRP A 88 6.506 0.962 1.741 1.00 0.00 H new ATOM 0 HE1 TRP A 88 6.883 2.111 -0.546 1.00 0.00 H new ATOM 0 HE3 TRP A 88 1.628 1.283 0.250 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 5.278 3.013 -2.672 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 1.125 2.307 -1.932 1.00 0.00 H new ATOM 0 HH2 TRP A 88 2.929 3.158 -3.375 1.00 0.00 H new ATOM 1375 N VAL A 89 2.551 2.773 3.927 1.00 0.00 N ATOM 1376 CA VAL A 89 2.085 4.153 4.005 1.00 0.00 C ATOM 1377 C VAL A 89 2.517 4.806 5.313 1.00 0.00 C ATOM 1378 O VAL A 89 3.076 5.903 5.317 1.00 0.00 O ATOM 1379 CB VAL A 89 0.552 4.236 3.885 1.00 0.00 C ATOM 1380 CG1 VAL A 89 0.086 5.681 3.978 1.00 0.00 C ATOM 1381 CG2 VAL A 89 0.085 3.599 2.585 1.00 0.00 C ATOM 0 H VAL A 89 1.810 2.074 3.977 1.00 0.00 H new ATOM 0 HA VAL A 89 2.537 4.687 3.169 1.00 0.00 H new ATOM 0 HB VAL A 89 0.109 3.683 4.714 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.000 5.719 3.891 1.00 0.00 H new ATOM 0 HG12 VAL A 89 0.388 6.100 4.938 1.00 0.00 H new ATOM 0 HG13 VAL A 89 0.535 6.261 3.172 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -1.001 3.666 2.516 1.00 0.00 H new ATOM 0 HG22 VAL A 89 0.535 4.122 1.741 1.00 0.00 H new ATOM 0 HG23 VAL A 89 0.386 2.551 2.565 1.00 0.00 H new ATOM 1391 N LEU A 90 2.256 4.124 6.423 1.00 0.00 N ATOM 1392 CA LEU A 90 2.618 4.637 7.740 1.00 0.00 C ATOM 1393 C LEU A 90 4.073 5.094 7.764 1.00 0.00 C ATOM 1394 O LEU A 90 4.363 6.260 8.032 1.00 0.00 O ATOM 1395 CB LEU A 90 2.390 3.565 8.807 1.00 0.00 C ATOM 1396 CG LEU A 90 0.981 2.976 8.877 1.00 0.00 C ATOM 1397 CD1 LEU A 90 0.967 1.725 9.741 1.00 0.00 C ATOM 1398 CD2 LEU A 90 -0.001 4.008 9.414 1.00 0.00 C ATOM 0 H LEU A 90 1.795 3.214 6.437 1.00 0.00 H new ATOM 0 HA LEU A 90 1.983 5.496 7.956 1.00 0.00 H new ATOM 0 HB2 LEU A 90 3.094 2.751 8.632 1.00 0.00 H new ATOM 0 HB3 LEU A 90 2.632 3.992 9.780 1.00 0.00 H new ATOM 0 HG LEU A 90 0.673 2.699 7.869 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -0.044 1.320 9.779 1.00 0.00 H new ATOM 0 HD12 LEU A 90 1.640 0.981 9.315 1.00 0.00 H new ATOM 0 HD13 LEU A 90 1.295 1.976 10.750 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -0.999 3.572 9.457 1.00 0.00 H new ATOM 0 HD22 LEU A 90 0.305 4.315 10.414 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -0.012 4.876 8.755 1.00 0.00 H new ATOM 1410 N ASP A 91 4.983 4.168 7.482 1.00 0.00 N ATOM 1411 CA ASP A 91 6.409 4.477 7.468 1.00 0.00 C ATOM 1412 C ASP A 91 6.719 5.567 6.447 1.00 0.00 C ATOM 1413 O ASP A 91 7.264 6.616 6.790 1.00 0.00 O ATOM 1414 CB ASP A 91 7.221 3.220 7.154 1.00 0.00 C ATOM 1415 CG ASP A 91 7.210 2.223 8.296 1.00 0.00 C ATOM 1416 OD1 ASP A 91 7.237 2.659 9.466 1.00 0.00 O ATOM 1417 OD2 ASP A 91 7.172 1.005 8.020 1.00 0.00 O ATOM 0 H ASP A 91 4.759 3.198 7.260 1.00 0.00 H new ATOM 0 HA ASP A 91 6.687 4.842 8.457 1.00 0.00 H new ATOM 0 HB2 ASP A 91 6.820 2.746 6.258 1.00 0.00 H new ATOM 0 HB3 ASP A 91 8.250 3.502 6.932 1.00 0.00 H new ATOM 1422 N CYS A 92 6.370 5.310 5.191 1.00 0.00 N ATOM 1423 CA CYS A 92 6.613 6.269 4.119 1.00 0.00 C ATOM 1424 C CYS A 92 6.284 7.687 4.573 1.00 0.00 C ATOM 1425 O CYS A 92 7.145 8.562 4.486 1.00 0.00 O ATOM 1426 CB CYS A 92 5.781 5.909 2.887 1.00 0.00 C ATOM 1427 SG CYS A 92 6.515 4.620 1.852 1.00 0.00 S ATOM 0 H CYS A 92 5.918 4.446 4.890 1.00 0.00 H new ATOM 0 HA CYS A 92 7.671 6.227 3.860 1.00 0.00 H new ATOM 0 HB2 CYS A 92 4.794 5.581 3.212 1.00 0.00 H new ATOM 0 HB3 CYS A 92 5.637 6.806 2.284 1.00 0.00 H new ATOM 0 HG CYS A 92 5.936 3.483 2.099 1.00 0.00 H new ATOM 1433 N HIS A 93 5.059 7.882 5.039 1.00 0.00 N ATOM 1434 CA HIS A 93 4.634 9.194 5.499 1.00 0.00 C ATOM 1435 C HIS A 93 5.566 9.675 6.612 1.00 0.00 C ATOM 1436 O HIS A 93 6.221 10.713 6.512 1.00 0.00 O ATOM 1437 CB HIS A 93 3.165 9.170 5.924 1.00 0.00 C ATOM 1438 CG HIS A 93 2.564 10.539 6.133 1.00 0.00 C ATOM 1439 ND1 HIS A 93 2.459 11.130 7.380 1.00 0.00 N ATOM 1440 CD2 HIS A 93 2.038 11.428 5.241 1.00 0.00 C ATOM 1441 CE1 HIS A 93 1.893 12.319 7.234 1.00 0.00 C ATOM 1442 NE2 HIS A 93 1.633 12.501 5.908 1.00 0.00 N ATOM 0 H HIS A 93 4.348 7.154 5.108 1.00 0.00 H new ATOM 0 HA HIS A 93 4.704 9.911 4.681 1.00 0.00 H new ATOM 0 HB2 HIS A 93 2.587 8.642 5.166 1.00 0.00 H new ATOM 0 HB3 HIS A 93 3.074 8.600 6.848 1.00 0.00 H new ATOM 0 HD1 HIS A 93 2.765 10.720 8.262 1.00 0.00 H new ATOM 0 HD2 HIS A 93 1.964 11.283 4.173 1.00 0.00 H new ATOM 0 HE1 HIS A 93 1.676 13.021 8.026 1.00 0.00 H new ATOM 1450 N ARG A 94 5.612 8.891 7.684 1.00 0.00 N ATOM 1451 CA ARG A 94 6.452 9.213 8.831 1.00 0.00 C ATOM 1452 C ARG A 94 7.798 9.772 8.379 1.00 0.00 C ATOM 1453 O ARG A 94 8.156 10.901 8.714 1.00 0.00 O ATOM 1454 CB ARG A 94 6.669 7.970 9.697 1.00 0.00 C ATOM 1455 CG ARG A 94 7.695 8.168 10.801 1.00 0.00 C ATOM 1456 CD ARG A 94 7.048 8.683 12.077 1.00 0.00 C ATOM 1457 NE ARG A 94 7.990 9.430 12.906 1.00 0.00 N ATOM 1458 CZ ARG A 94 8.479 10.619 12.572 1.00 0.00 C ATOM 1459 NH1 ARG A 94 8.118 11.192 11.432 1.00 0.00 N ATOM 1460 NH2 ARG A 94 9.332 11.237 13.378 1.00 0.00 N ATOM 0 H ARG A 94 5.077 8.028 7.782 1.00 0.00 H new ATOM 0 HA ARG A 94 5.941 9.974 9.421 1.00 0.00 H new ATOM 0 HB2 ARG A 94 5.719 7.679 10.144 1.00 0.00 H new ATOM 0 HB3 ARG A 94 6.988 7.145 9.060 1.00 0.00 H new ATOM 0 HG2 ARG A 94 8.200 7.224 11.003 1.00 0.00 H new ATOM 0 HG3 ARG A 94 8.458 8.872 10.468 1.00 0.00 H new ATOM 0 HD2 ARG A 94 6.203 9.323 11.822 1.00 0.00 H new ATOM 0 HD3 ARG A 94 6.651 7.843 12.647 1.00 0.00 H new ATOM 0 HE ARG A 94 8.289 9.016 13.789 1.00 0.00 H new ATOM 0 HH11 ARG A 94 7.463 10.720 10.809 1.00 0.00 H new ATOM 0 HH12 ARG A 94 8.495 12.105 11.178 1.00 0.00 H new ATOM 0 HH21 ARG A 94 9.613 10.799 14.255 1.00 0.00 H new ATOM 0 HH22 ARG A 94 9.707 12.150 13.120 1.00 0.00 H new ATOM 1474 N MET A 95 8.539 8.974 7.618 1.00 0.00 N ATOM 1475 CA MET A 95 9.845 9.390 7.120 1.00 0.00 C ATOM 1476 C MET A 95 9.698 10.342 5.938 1.00 0.00 C ATOM 1477 O MET A 95 10.665 10.977 5.517 1.00 0.00 O ATOM 1478 CB MET A 95 10.670 8.169 6.707 1.00 0.00 C ATOM 1479 CG MET A 95 10.916 7.189 7.844 1.00 0.00 C ATOM 1480 SD MET A 95 12.432 6.238 7.624 1.00 0.00 S ATOM 1481 CE MET A 95 11.774 4.576 7.510 1.00 0.00 C ATOM 0 H MET A 95 8.258 8.036 7.333 1.00 0.00 H new ATOM 0 HA MET A 95 10.362 9.914 7.924 1.00 0.00 H new ATOM 0 HB2 MET A 95 10.157 7.651 5.897 1.00 0.00 H new ATOM 0 HB3 MET A 95 11.629 8.505 6.314 1.00 0.00 H new ATOM 0 HG2 MET A 95 10.968 7.736 8.785 1.00 0.00 H new ATOM 0 HG3 MET A 95 10.070 6.505 7.919 1.00 0.00 H new ATOM 0 HE1 MET A 95 12.161 3.974 8.333 1.00 0.00 H new ATOM 0 HE2 MET A 95 10.686 4.611 7.566 1.00 0.00 H new ATOM 0 HE3 MET A 95 12.074 4.130 6.562 1.00 0.00 H new ATOM 1491 N ARG A 96 8.484 10.435 5.406 1.00 0.00 N ATOM 1492 CA ARG A 96 8.211 11.308 4.271 1.00 0.00 C ATOM 1493 C ARG A 96 9.220 11.074 3.150 1.00 0.00 C ATOM 1494 O ARG A 96 9.773 12.021 2.591 1.00 0.00 O ATOM 1495 CB ARG A 96 8.249 12.774 4.708 1.00 0.00 C ATOM 1496 CG ARG A 96 7.226 13.117 5.778 1.00 0.00 C ATOM 1497 CD ARG A 96 7.107 14.621 5.972 1.00 0.00 C ATOM 1498 NE ARG A 96 6.521 14.960 7.266 1.00 0.00 N ATOM 1499 CZ ARG A 96 5.233 14.807 7.553 1.00 0.00 C ATOM 1500 NH1 ARG A 96 4.401 14.321 6.642 1.00 0.00 N ATOM 1501 NH2 ARG A 96 4.775 15.138 8.754 1.00 0.00 N ATOM 0 H ARG A 96 7.673 9.916 5.743 1.00 0.00 H new ATOM 0 HA ARG A 96 7.215 11.073 3.895 1.00 0.00 H new ATOM 0 HB2 ARG A 96 9.246 13.007 5.082 1.00 0.00 H new ATOM 0 HB3 ARG A 96 8.079 13.408 3.838 1.00 0.00 H new ATOM 0 HG2 ARG A 96 6.255 12.707 5.500 1.00 0.00 H new ATOM 0 HG3 ARG A 96 7.512 12.649 6.720 1.00 0.00 H new ATOM 0 HD2 ARG A 96 8.094 15.076 5.890 1.00 0.00 H new ATOM 0 HD3 ARG A 96 6.494 15.042 5.175 1.00 0.00 H new ATOM 0 HE ARG A 96 7.135 15.335 7.989 1.00 0.00 H new ATOM 0 HH11 ARG A 96 4.750 14.064 5.719 1.00 0.00 H new ATOM 0 HH12 ARG A 96 3.412 14.204 6.865 1.00 0.00 H new ATOM 0 HH21 ARG A 96 5.412 15.510 9.458 1.00 0.00 H new ATOM 0 HH22 ARG A 96 3.786 15.020 8.973 1.00 0.00 H new ATOM 1515 N ARG A 97 9.454 9.806 2.828 1.00 0.00 N ATOM 1516 CA ARG A 97 10.398 9.447 1.776 1.00 0.00 C ATOM 1517 C ARG A 97 9.958 8.171 1.064 1.00 0.00 C ATOM 1518 O ARG A 97 9.107 7.433 1.560 1.00 0.00 O ATOM 1519 CB ARG A 97 11.799 9.262 2.359 1.00 0.00 C ATOM 1520 CG ARG A 97 11.898 8.118 3.355 1.00 0.00 C ATOM 1521 CD ARG A 97 13.308 7.552 3.416 1.00 0.00 C ATOM 1522 NE ARG A 97 13.618 6.730 2.249 1.00 0.00 N ATOM 1523 CZ ARG A 97 14.854 6.507 1.815 1.00 0.00 C ATOM 1524 NH1 ARG A 97 15.889 7.040 2.449 1.00 0.00 N ATOM 1525 NH2 ARG A 97 15.056 5.748 0.746 1.00 0.00 N ATOM 0 H ARG A 97 9.003 9.010 3.280 1.00 0.00 H new ATOM 0 HA ARG A 97 10.420 10.259 1.049 1.00 0.00 H new ATOM 0 HB2 ARG A 97 12.502 9.085 1.545 1.00 0.00 H new ATOM 0 HB3 ARG A 97 12.104 10.187 2.849 1.00 0.00 H new ATOM 0 HG2 ARG A 97 11.603 8.469 4.344 1.00 0.00 H new ATOM 0 HG3 ARG A 97 11.200 7.329 3.075 1.00 0.00 H new ATOM 0 HD2 ARG A 97 14.025 8.370 3.484 1.00 0.00 H new ATOM 0 HD3 ARG A 97 13.420 6.954 4.321 1.00 0.00 H new ATOM 0 HE ARG A 97 12.844 6.304 1.740 1.00 0.00 H new ATOM 0 HH11 ARG A 97 15.738 7.623 3.272 1.00 0.00 H new ATOM 0 HH12 ARG A 97 16.837 6.867 2.114 1.00 0.00 H new ATOM 0 HH21 ARG A 97 14.262 5.335 0.256 1.00 0.00 H new ATOM 0 HH22 ARG A 97 16.005 5.577 0.414 1.00 0.00 H new ATOM 1539 N ARG A 98 10.544 7.918 -0.102 1.00 0.00 N ATOM 1540 CA ARG A 98 10.212 6.733 -0.883 1.00 0.00 C ATOM 1541 C ARG A 98 10.928 5.502 -0.333 1.00 0.00 C ATOM 1542 O ARG A 98 12.104 5.274 -0.621 1.00 0.00 O ATOM 1543 CB ARG A 98 10.588 6.941 -2.351 1.00 0.00 C ATOM 1544 CG ARG A 98 10.101 5.831 -3.268 1.00 0.00 C ATOM 1545 CD ARG A 98 9.854 6.341 -4.679 1.00 0.00 C ATOM 1546 NE ARG A 98 9.814 5.256 -5.654 1.00 0.00 N ATOM 1547 CZ ARG A 98 9.430 5.415 -6.916 1.00 0.00 C ATOM 1548 NH1 ARG A 98 9.055 6.609 -7.352 1.00 0.00 N ATOM 1549 NH2 ARG A 98 9.421 4.378 -7.744 1.00 0.00 N ATOM 0 H ARG A 98 11.251 8.518 -0.526 1.00 0.00 H new ATOM 0 HA ARG A 98 9.137 6.570 -0.810 1.00 0.00 H new ATOM 0 HB2 ARG A 98 10.174 7.890 -2.692 1.00 0.00 H new ATOM 0 HB3 ARG A 98 11.672 7.018 -2.432 1.00 0.00 H new ATOM 0 HG2 ARG A 98 10.839 5.029 -3.294 1.00 0.00 H new ATOM 0 HG3 ARG A 98 9.181 5.405 -2.868 1.00 0.00 H new ATOM 0 HD2 ARG A 98 8.912 6.888 -4.707 1.00 0.00 H new ATOM 0 HD3 ARG A 98 10.640 7.045 -4.953 1.00 0.00 H new ATOM 0 HE ARG A 98 10.096 4.324 -5.350 1.00 0.00 H new ATOM 0 HH11 ARG A 98 9.061 7.408 -6.718 1.00 0.00 H new ATOM 0 HH12 ARG A 98 8.761 6.729 -8.321 1.00 0.00 H new ATOM 0 HH21 ARG A 98 9.709 3.458 -7.412 1.00 0.00 H new ATOM 0 HH22 ARG A 98 9.126 4.501 -8.713 1.00 0.00 H new ATOM 1563 N LEU A 99 10.211 4.712 0.458 1.00 0.00 N ATOM 1564 CA LEU A 99 10.777 3.504 1.049 1.00 0.00 C ATOM 1565 C LEU A 99 10.707 2.336 0.071 1.00 0.00 C ATOM 1566 O LEU A 99 9.853 2.285 -0.814 1.00 0.00 O ATOM 1567 CB LEU A 99 10.037 3.149 2.340 1.00 0.00 C ATOM 1568 CG LEU A 99 10.189 4.139 3.495 1.00 0.00 C ATOM 1569 CD1 LEU A 99 9.537 3.592 4.755 1.00 0.00 C ATOM 1570 CD2 LEU A 99 11.658 4.448 3.743 1.00 0.00 C ATOM 0 H LEU A 99 9.237 4.886 0.705 1.00 0.00 H new ATOM 0 HA LEU A 99 11.824 3.698 1.280 1.00 0.00 H new ATOM 0 HB2 LEU A 99 8.976 3.049 2.111 1.00 0.00 H new ATOM 0 HB3 LEU A 99 10.384 2.172 2.677 1.00 0.00 H new ATOM 0 HG LEU A 99 9.685 5.066 3.223 1.00 0.00 H new ATOM 0 HD11 LEU A 99 9.655 4.310 5.567 1.00 0.00 H new ATOM 0 HD12 LEU A 99 8.476 3.423 4.572 1.00 0.00 H new ATOM 0 HD13 LEU A 99 10.012 2.651 5.031 1.00 0.00 H new ATOM 0 HD21 LEU A 99 11.747 5.154 4.568 1.00 0.00 H new ATOM 0 HD22 LEU A 99 12.186 3.528 3.994 1.00 0.00 H new ATOM 0 HD23 LEU A 99 12.095 4.883 2.844 1.00 0.00 H new ATOM 1582 N PRO A 100 11.625 1.371 0.234 1.00 0.00 N ATOM 1583 CA PRO A 100 11.687 0.184 -0.623 1.00 0.00 C ATOM 1584 C PRO A 100 10.512 -0.760 -0.392 1.00 0.00 C ATOM 1585 O PRO A 100 10.498 -1.524 0.573 1.00 0.00 O ATOM 1586 CB PRO A 100 13.000 -0.485 -0.209 1.00 0.00 C ATOM 1587 CG PRO A 100 13.233 -0.027 1.190 1.00 0.00 C ATOM 1588 CD PRO A 100 12.673 1.366 1.268 1.00 0.00 C ATOM 0 HA PRO A 100 11.640 0.443 -1.681 1.00 0.00 H new ATOM 0 HB2 PRO A 100 12.925 -1.571 -0.263 1.00 0.00 H new ATOM 0 HB3 PRO A 100 13.819 -0.189 -0.864 1.00 0.00 H new ATOM 0 HG2 PRO A 100 12.740 -0.687 1.904 1.00 0.00 H new ATOM 0 HG3 PRO A 100 14.296 -0.034 1.431 1.00 0.00 H new ATOM 0 HD2 PRO A 100 12.264 1.580 2.255 1.00 0.00 H new ATOM 0 HD3 PRO A 100 13.437 2.118 1.070 1.00 0.00 H new ATOM 1596 N SER A 101 9.528 -0.702 -1.283 1.00 0.00 N ATOM 1597 CA SER A 101 8.347 -1.550 -1.174 1.00 0.00 C ATOM 1598 C SER A 101 8.735 -3.026 -1.177 1.00 0.00 C ATOM 1599 O SER A 101 8.066 -3.855 -0.561 1.00 0.00 O ATOM 1600 CB SER A 101 7.379 -1.263 -2.323 1.00 0.00 C ATOM 1601 OG SER A 101 6.394 -2.277 -2.426 1.00 0.00 O ATOM 0 H SER A 101 9.525 -0.076 -2.089 1.00 0.00 H new ATOM 0 HA SER A 101 7.854 -1.324 -0.228 1.00 0.00 H new ATOM 0 HB2 SER A 101 6.897 -0.298 -2.164 1.00 0.00 H new ATOM 0 HB3 SER A 101 7.932 -1.193 -3.260 1.00 0.00 H new ATOM 0 HG SER A 101 5.887 -2.158 -3.256 1.00 0.00 H new ATOM 1607 N GLN A 102 9.820 -3.344 -1.875 1.00 0.00 N ATOM 1608 CA GLN A 102 10.297 -4.719 -1.959 1.00 0.00 C ATOM 1609 C GLN A 102 10.340 -5.366 -0.578 1.00 0.00 C ATOM 1610 O GLN A 102 10.136 -6.572 -0.441 1.00 0.00 O ATOM 1611 CB GLN A 102 11.686 -4.761 -2.598 1.00 0.00 C ATOM 1612 CG GLN A 102 12.652 -3.738 -2.022 1.00 0.00 C ATOM 1613 CD GLN A 102 13.764 -3.377 -2.987 1.00 0.00 C ATOM 1614 OE1 GLN A 102 14.594 -4.215 -3.338 1.00 0.00 O ATOM 1615 NE2 GLN A 102 13.785 -2.122 -3.423 1.00 0.00 N ATOM 0 H GLN A 102 10.385 -2.669 -2.390 1.00 0.00 H new ATOM 0 HA GLN A 102 9.601 -5.281 -2.582 1.00 0.00 H new ATOM 0 HB2 GLN A 102 12.106 -5.758 -2.469 1.00 0.00 H new ATOM 0 HB3 GLN A 102 11.589 -4.593 -3.671 1.00 0.00 H new ATOM 0 HG2 GLN A 102 12.102 -2.836 -1.753 1.00 0.00 H new ATOM 0 HG3 GLN A 102 13.087 -4.132 -1.103 1.00 0.00 H new ATOM 0 HE21 GLN A 102 13.077 -1.460 -3.106 1.00 0.00 H new ATOM 0 HE22 GLN A 102 14.509 -1.821 -4.075 1.00 0.00 H new ATOM 1624 N ARG A 103 10.607 -4.556 0.441 1.00 0.00 N ATOM 1625 CA ARG A 103 10.678 -5.050 1.811 1.00 0.00 C ATOM 1626 C ARG A 103 9.286 -5.372 2.346 1.00 0.00 C ATOM 1627 O ARG A 103 9.122 -6.259 3.184 1.00 0.00 O ATOM 1628 CB ARG A 103 11.357 -4.018 2.713 1.00 0.00 C ATOM 1629 CG ARG A 103 12.862 -4.202 2.824 1.00 0.00 C ATOM 1630 CD ARG A 103 13.592 -3.517 1.680 1.00 0.00 C ATOM 1631 NE ARG A 103 14.983 -3.223 2.016 1.00 0.00 N ATOM 1632 CZ ARG A 103 15.959 -4.122 1.955 1.00 0.00 C ATOM 1633 NH1 ARG A 103 15.698 -5.364 1.572 1.00 0.00 N ATOM 1634 NH2 ARG A 103 17.200 -3.778 2.277 1.00 0.00 N ATOM 0 H ARG A 103 10.778 -3.555 0.344 1.00 0.00 H new ATOM 0 HA ARG A 103 11.269 -5.966 1.810 1.00 0.00 H new ATOM 0 HB2 ARG A 103 11.149 -3.019 2.329 1.00 0.00 H new ATOM 0 HB3 ARG A 103 10.918 -4.074 3.709 1.00 0.00 H new ATOM 0 HG2 ARG A 103 13.210 -3.797 3.774 1.00 0.00 H new ATOM 0 HG3 ARG A 103 13.101 -5.266 2.825 1.00 0.00 H new ATOM 0 HD2 ARG A 103 13.559 -4.154 0.796 1.00 0.00 H new ATOM 0 HD3 ARG A 103 13.077 -2.591 1.424 1.00 0.00 H new ATOM 0 HE ARG A 103 15.217 -2.276 2.314 1.00 0.00 H new ATOM 0 HH11 ARG A 103 14.746 -5.631 1.323 1.00 0.00 H new ATOM 0 HH12 ARG A 103 16.450 -6.052 1.526 1.00 0.00 H new ATOM 0 HH21 ARG A 103 17.404 -2.823 2.571 1.00 0.00 H new ATOM 0 HH22 ARG A 103 17.949 -4.469 2.230 1.00 0.00 H new ATOM 1648 N TYR A 104 8.287 -4.646 1.856 1.00 0.00 N ATOM 1649 CA TYR A 104 6.910 -4.852 2.287 1.00 0.00 C ATOM 1650 C TYR A 104 6.159 -5.744 1.303 1.00 0.00 C ATOM 1651 O TYR A 104 5.075 -6.245 1.604 1.00 0.00 O ATOM 1652 CB TYR A 104 6.191 -3.509 2.426 1.00 0.00 C ATOM 1653 CG TYR A 104 6.845 -2.572 3.416 1.00 0.00 C ATOM 1654 CD1 TYR A 104 7.919 -1.774 3.042 1.00 0.00 C ATOM 1655 CD2 TYR A 104 6.390 -2.484 4.726 1.00 0.00 C ATOM 1656 CE1 TYR A 104 8.520 -0.916 3.943 1.00 0.00 C ATOM 1657 CE2 TYR A 104 6.984 -1.629 5.633 1.00 0.00 C ATOM 1658 CZ TYR A 104 8.049 -0.847 5.237 1.00 0.00 C ATOM 1659 OH TYR A 104 8.644 0.005 6.138 1.00 0.00 O ATOM 0 H TYR A 104 8.405 -3.910 1.160 1.00 0.00 H new ATOM 0 HA TYR A 104 6.930 -5.348 3.257 1.00 0.00 H new ATOM 0 HB2 TYR A 104 6.153 -3.024 1.450 1.00 0.00 H new ATOM 0 HB3 TYR A 104 5.161 -3.688 2.734 1.00 0.00 H new ATOM 0 HD1 TYR A 104 8.291 -1.825 2.029 1.00 0.00 H new ATOM 0 HD2 TYR A 104 5.557 -3.095 5.040 1.00 0.00 H new ATOM 0 HE1 TYR A 104 9.354 -0.303 3.635 1.00 0.00 H new ATOM 0 HE2 TYR A 104 6.617 -1.573 6.647 1.00 0.00 H new ATOM 0 HH TYR A 104 8.054 0.128 6.911 1.00 0.00 H new ATOM 1669 N LEU A 105 6.744 -5.938 0.126 1.00 0.00 N ATOM 1670 CA LEU A 105 6.132 -6.770 -0.904 1.00 0.00 C ATOM 1671 C LEU A 105 5.771 -8.145 -0.350 1.00 0.00 C ATOM 1672 O LEU A 105 6.646 -8.974 -0.101 1.00 0.00 O ATOM 1673 CB LEU A 105 7.080 -6.921 -2.095 1.00 0.00 C ATOM 1674 CG LEU A 105 7.156 -5.726 -3.047 1.00 0.00 C ATOM 1675 CD1 LEU A 105 8.074 -6.036 -4.220 1.00 0.00 C ATOM 1676 CD2 LEU A 105 5.767 -5.348 -3.540 1.00 0.00 C ATOM 0 H LEU A 105 7.641 -5.531 -0.139 1.00 0.00 H new ATOM 0 HA LEU A 105 5.216 -6.280 -1.236 1.00 0.00 H new ATOM 0 HB2 LEU A 105 8.081 -7.121 -1.714 1.00 0.00 H new ATOM 0 HB3 LEU A 105 6.776 -7.797 -2.667 1.00 0.00 H new ATOM 0 HG LEU A 105 7.570 -4.877 -2.502 1.00 0.00 H new ATOM 0 HD11 LEU A 105 8.116 -5.175 -4.887 1.00 0.00 H new ATOM 0 HD12 LEU A 105 9.075 -6.258 -3.850 1.00 0.00 H new ATOM 0 HD13 LEU A 105 7.690 -6.898 -4.765 1.00 0.00 H new ATOM 0 HD21 LEU A 105 5.840 -4.496 -4.216 1.00 0.00 H new ATOM 0 HD22 LEU A 105 5.326 -6.193 -4.068 1.00 0.00 H new ATOM 0 HD23 LEU A 105 5.139 -5.083 -2.690 1.00 0.00 H new ATOM 1688 N MET A 106 4.476 -8.380 -0.162 1.00 0.00 N ATOM 1689 CA MET A 106 4.000 -9.656 0.359 1.00 0.00 C ATOM 1690 C MET A 106 4.082 -10.743 -0.707 1.00 0.00 C ATOM 1691 O MET A 106 4.688 -11.793 -0.491 1.00 0.00 O ATOM 1692 CB MET A 106 2.559 -9.521 0.857 1.00 0.00 C ATOM 1693 CG MET A 106 2.363 -8.388 1.851 1.00 0.00 C ATOM 1694 SD MET A 106 0.677 -7.749 1.851 1.00 0.00 S ATOM 1695 CE MET A 106 0.064 -8.411 3.398 1.00 0.00 C ATOM 0 H MET A 106 3.739 -7.704 -0.362 1.00 0.00 H new ATOM 0 HA MET A 106 4.641 -9.942 1.193 1.00 0.00 H new ATOM 0 HB2 MET A 106 1.901 -9.361 0.002 1.00 0.00 H new ATOM 0 HB3 MET A 106 2.255 -10.458 1.323 1.00 0.00 H new ATOM 0 HG2 MET A 106 2.614 -8.740 2.852 1.00 0.00 H new ATOM 0 HG3 MET A 106 3.054 -7.579 1.615 1.00 0.00 H new ATOM 0 HE1 MET A 106 -0.623 -7.697 3.853 1.00 0.00 H new ATOM 0 HE2 MET A 106 -0.459 -9.349 3.211 1.00 0.00 H new ATOM 0 HE3 MET A 106 0.900 -8.591 4.074 1.00 0.00 H new