USER MOD reduce.3.24.130724 H: found=0, std=0, add=627, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 631 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 67 GLN : amide:sc= -1.95! C(o=-0.95!,f=-5.8!) USER MOD Set 1.2: A 70 TYR OH : rot 133:sc= 1 USER MOD Single : A 18 CYS SG : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 44 ASN : amide:sc= -1.33 K(o=-1.3,f=-0.73) USER MOD Single : A 45 CYS SG : rot 60:sc= -0.366! USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 MET CE :methyl -109:sc= -2.81 (180deg=-9.6!) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 180:sc= -0.125 USER MOD Single : A 88 CYS SG : rot 180:sc= -0.685 USER MOD Single : A 92 ASN : amide:sc= -1 K(o=-1,f=-0.37) USER MOD Single : A 95 SER OG : rot 31:sc= 0.005 USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 TYR OH : rot 180:sc= -0.0445 USER MOD Single : A 101 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 ASN : amide:sc= 0.0461 K(o=0.046,f=-0.68) USER MOD Single : A 117 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 119 SER OG : rot -51:sc= -1.31 USER MOD ----------------------------------------------------------------- ATOM 201 N ARG A 16 2.205 2.157 -4.640 1.00 0.00 N ATOM 202 CA ARG A 16 2.298 3.588 -4.407 1.00 0.00 C ATOM 203 C ARG A 16 1.105 4.308 -5.038 1.00 0.00 C ATOM 204 O ARG A 16 0.682 3.966 -6.142 1.00 0.00 O ATOM 205 CB ARG A 16 3.594 4.157 -4.989 1.00 0.00 C ATOM 206 CG ARG A 16 3.494 5.673 -5.171 1.00 0.00 C ATOM 207 CD ARG A 16 4.843 6.347 -4.911 1.00 0.00 C ATOM 208 NE ARG A 16 5.362 6.938 -6.165 1.00 0.00 N ATOM 209 CZ ARG A 16 4.707 7.853 -6.892 1.00 0.00 C ATOM 210 NH1 ARG A 16 3.502 8.286 -6.496 1.00 0.00 N ATOM 211 NH2 ARG A 16 5.255 8.334 -8.016 1.00 0.00 N ATOM 0 HA ARG A 16 2.295 3.749 -3.329 1.00 0.00 H new ATOM 0 HB2 ARG A 16 4.428 3.921 -4.328 1.00 0.00 H new ATOM 0 HB3 ARG A 16 3.804 3.685 -5.949 1.00 0.00 H new ATOM 0 HG2 ARG A 16 3.159 5.900 -6.183 1.00 0.00 H new ATOM 0 HG3 ARG A 16 2.745 6.076 -4.490 1.00 0.00 H new ATOM 0 HD2 ARG A 16 4.732 7.122 -4.153 1.00 0.00 H new ATOM 0 HD3 ARG A 16 5.554 5.619 -4.521 1.00 0.00 H new ATOM 0 HE ARG A 16 6.276 6.629 -6.496 1.00 0.00 H new ATOM 0 HH11 ARG A 16 3.084 7.919 -5.641 1.00 0.00 H new ATOM 0 HH12 ARG A 16 3.003 8.983 -7.049 1.00 0.00 H new ATOM 0 HH21 ARG A 16 6.171 8.004 -8.319 1.00 0.00 H new ATOM 0 HH22 ARG A 16 4.756 9.031 -8.569 1.00 0.00 H new ATOM 225 N ILE A 17 0.595 5.291 -4.311 1.00 0.00 N ATOM 226 CA ILE A 17 -0.542 6.062 -4.785 1.00 0.00 C ATOM 227 C ILE A 17 -0.155 7.540 -4.858 1.00 0.00 C ATOM 228 O ILE A 17 0.836 7.957 -4.260 1.00 0.00 O ATOM 229 CB ILE A 17 -1.773 5.790 -3.919 1.00 0.00 C ATOM 230 CG1 ILE A 17 -3.056 6.201 -4.644 1.00 0.00 C ATOM 231 CG2 ILE A 17 -1.643 6.469 -2.554 1.00 0.00 C ATOM 232 CD1 ILE A 17 -4.226 5.303 -4.239 1.00 0.00 C ATOM 0 H ILE A 17 0.949 5.572 -3.396 1.00 0.00 H new ATOM 0 HA ILE A 17 -0.817 5.754 -5.794 1.00 0.00 H new ATOM 0 HB ILE A 17 -1.835 4.716 -3.741 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -3.293 7.239 -4.412 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -2.904 6.142 -5.722 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -2.531 6.260 -1.958 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -0.762 6.086 -2.039 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -1.543 7.546 -2.691 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -5.126 5.617 -4.769 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -3.996 4.269 -4.495 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -4.391 5.383 -3.165 1.00 0.00 H new ATOM 244 N CYS A 18 -0.958 8.293 -5.596 1.00 0.00 N ATOM 245 CA CYS A 18 -0.712 9.716 -5.755 1.00 0.00 C ATOM 246 C CYS A 18 -2.062 10.427 -5.873 1.00 0.00 C ATOM 247 O CYS A 18 -3.028 9.852 -6.372 1.00 0.00 O ATOM 248 CB CYS A 18 0.191 10.004 -6.955 1.00 0.00 C ATOM 249 SG CYS A 18 -0.534 9.281 -8.472 1.00 0.00 S ATOM 0 H CYS A 18 -1.779 7.944 -6.090 1.00 0.00 H new ATOM 0 HA CYS A 18 -0.178 10.094 -4.883 1.00 0.00 H new ATOM 0 HB2 CYS A 18 0.314 11.080 -7.078 1.00 0.00 H new ATOM 0 HB3 CYS A 18 1.183 9.587 -6.782 1.00 0.00 H new ATOM 0 HG CYS A 18 0.240 9.533 -9.486 1.00 0.00 H new ATOM 255 N GLY A 19 -2.086 11.666 -5.406 1.00 0.00 N ATOM 256 CA GLY A 19 -3.301 12.461 -5.453 1.00 0.00 C ATOM 257 C GLY A 19 -3.206 13.665 -4.515 1.00 0.00 C ATOM 258 O GLY A 19 -2.368 13.691 -3.614 1.00 0.00 O ATOM 0 H GLY A 19 -1.283 12.139 -4.993 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -3.476 12.803 -6.473 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -4.155 11.844 -5.173 1.00 0.00 H new ATOM 262 N PHE A 20 -4.076 14.635 -4.757 1.00 0.00 N ATOM 263 CA PHE A 20 -4.101 15.839 -3.944 1.00 0.00 C ATOM 264 C PHE A 20 -5.125 15.717 -2.814 1.00 0.00 C ATOM 265 O PHE A 20 -6.298 15.441 -3.061 1.00 0.00 O ATOM 266 CB PHE A 20 -4.509 16.991 -4.864 1.00 0.00 C ATOM 267 CG PHE A 20 -3.518 17.263 -5.998 1.00 0.00 C ATOM 268 CD1 PHE A 20 -3.613 16.571 -7.164 1.00 0.00 C ATOM 269 CD2 PHE A 20 -2.543 18.198 -5.838 1.00 0.00 C ATOM 270 CE1 PHE A 20 -2.693 16.824 -8.216 1.00 0.00 C ATOM 271 CE2 PHE A 20 -1.623 18.451 -6.890 1.00 0.00 C ATOM 272 CZ PHE A 20 -1.718 17.759 -8.057 1.00 0.00 C ATOM 0 H PHE A 20 -4.769 14.611 -5.505 1.00 0.00 H new ATOM 0 HA PHE A 20 -3.122 16.004 -3.494 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -5.486 16.770 -5.294 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -4.620 17.897 -4.268 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -4.388 15.829 -7.290 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -2.469 18.748 -4.911 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -2.768 16.274 -9.142 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -0.848 19.193 -6.763 1.00 0.00 H new ATOM 0 HZ PHE A 20 -1.019 17.952 -8.858 1.00 0.00 H new ATOM 282 N LEU A 21 -4.644 15.928 -1.597 1.00 0.00 N ATOM 283 CA LEU A 21 -5.503 15.845 -0.428 1.00 0.00 C ATOM 284 C LEU A 21 -5.485 17.186 0.309 1.00 0.00 C ATOM 285 O LEU A 21 -4.635 18.034 0.041 1.00 0.00 O ATOM 286 CB LEU A 21 -5.102 14.657 0.448 1.00 0.00 C ATOM 287 CG LEU A 21 -4.927 13.320 -0.275 1.00 0.00 C ATOM 288 CD1 LEU A 21 -4.328 12.266 0.658 1.00 0.00 C ATOM 289 CD2 LEU A 21 -6.247 12.854 -0.893 1.00 0.00 C ATOM 0 H LEU A 21 -3.670 16.156 -1.396 1.00 0.00 H new ATOM 0 HA LEU A 21 -6.535 15.658 -0.726 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -4.166 14.901 0.950 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.857 14.532 1.224 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.221 13.464 -1.093 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -4.214 11.325 0.119 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.353 12.603 1.009 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.990 12.117 1.511 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.095 11.902 -1.401 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -6.993 12.732 -0.108 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -6.595 13.597 -1.611 1.00 0.00 H new ATOM 301 N ASP A 22 -6.432 17.336 1.223 1.00 0.00 N ATOM 302 CA ASP A 22 -6.535 18.559 2.000 1.00 0.00 C ATOM 303 C ASP A 22 -6.355 18.231 3.484 1.00 0.00 C ATOM 304 O ASP A 22 -7.318 17.891 4.169 1.00 0.00 O ATOM 305 CB ASP A 22 -7.909 19.210 1.823 1.00 0.00 C ATOM 306 CG ASP A 22 -8.249 19.621 0.389 1.00 0.00 C ATOM 307 OD1 ASP A 22 -7.703 20.657 -0.049 1.00 0.00 O ATOM 308 OD2 ASP A 22 -9.047 18.891 -0.237 1.00 0.00 O ATOM 0 H ASP A 22 -7.135 16.631 1.443 1.00 0.00 H new ATOM 0 HA ASP A 22 -5.763 19.246 1.653 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -8.672 18.516 2.177 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -7.961 20.093 2.460 1.00 0.00 H new ATOM 313 N ILE A 23 -5.115 18.346 3.936 1.00 0.00 N ATOM 314 CA ILE A 23 -4.797 18.067 5.326 1.00 0.00 C ATOM 315 C ILE A 23 -5.019 19.330 6.159 1.00 0.00 C ATOM 316 O ILE A 23 -4.762 20.439 5.693 1.00 0.00 O ATOM 317 CB ILE A 23 -3.385 17.490 5.446 1.00 0.00 C ATOM 318 CG1 ILE A 23 -3.139 16.931 6.849 1.00 0.00 C ATOM 319 CG2 ILE A 23 -2.333 18.529 5.051 1.00 0.00 C ATOM 320 CD1 ILE A 23 -1.834 16.133 6.900 1.00 0.00 C ATOM 0 H ILE A 23 -4.319 18.628 3.364 1.00 0.00 H new ATOM 0 HA ILE A 23 -5.464 17.302 5.724 1.00 0.00 H new ATOM 0 HB ILE A 23 -3.295 16.658 4.747 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -3.098 17.749 7.568 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -3.972 16.292 7.141 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -1.338 18.094 5.145 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -2.497 18.839 4.019 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -2.413 19.396 5.707 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -1.683 15.747 7.908 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -1.888 15.302 6.197 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -1.000 16.782 6.631 1.00 0.00 H new ATOM 332 N GLU A 24 -5.493 19.121 7.379 1.00 0.00 N ATOM 333 CA GLU A 24 -5.752 20.229 8.281 1.00 0.00 C ATOM 334 C GLU A 24 -4.457 20.671 8.965 1.00 0.00 C ATOM 335 O GLU A 24 -3.752 19.853 9.555 1.00 0.00 O ATOM 336 CB GLU A 24 -6.818 19.858 9.314 1.00 0.00 C ATOM 337 CG GLU A 24 -7.474 21.110 9.900 1.00 0.00 C ATOM 338 CD GLU A 24 -7.921 20.870 11.344 1.00 0.00 C ATOM 339 OE1 GLU A 24 -8.413 19.751 11.607 1.00 0.00 O ATOM 340 OE2 GLU A 24 -7.761 21.810 12.151 1.00 0.00 O ATOM 0 H GLU A 24 -5.704 18.200 7.763 1.00 0.00 H new ATOM 0 HA GLU A 24 -6.135 21.065 7.696 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -7.577 19.229 8.849 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -6.366 19.272 10.114 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -6.771 21.943 9.867 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -8.333 21.393 9.292 1.00 0.00 H new ATOM 442 N PHE A 32 -7.652 24.056 5.635 1.00 0.00 N ATOM 443 CA PHE A 32 -6.787 22.960 5.234 1.00 0.00 C ATOM 444 C PHE A 32 -5.783 23.414 4.172 1.00 0.00 C ATOM 445 O PHE A 32 -6.029 24.382 3.454 1.00 0.00 O ATOM 446 CB PHE A 32 -7.686 21.875 4.639 1.00 0.00 C ATOM 447 CG PHE A 32 -8.846 21.461 5.547 1.00 0.00 C ATOM 448 CD1 PHE A 32 -9.915 22.286 5.703 1.00 0.00 C ATOM 449 CD2 PHE A 32 -8.807 20.267 6.197 1.00 0.00 C ATOM 450 CE1 PHE A 32 -10.992 21.902 6.545 1.00 0.00 C ATOM 451 CE2 PHE A 32 -9.884 19.882 7.039 1.00 0.00 C ATOM 452 CZ PHE A 32 -10.953 20.708 7.196 1.00 0.00 C ATOM 0 HA PHE A 32 -6.225 22.596 6.094 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -8.089 22.231 3.691 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -7.080 20.996 4.418 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -9.945 23.234 5.186 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -7.957 19.612 6.073 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -11.842 22.557 6.669 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -9.854 18.933 7.555 1.00 0.00 H new ATOM 0 HZ PHE A 32 -11.771 20.416 7.838 1.00 0.00 H new ATOM 462 N LEU A 33 -4.674 22.693 4.105 1.00 0.00 N ATOM 463 CA LEU A 33 -3.632 23.010 3.143 1.00 0.00 C ATOM 464 C LEU A 33 -3.644 21.966 2.024 1.00 0.00 C ATOM 465 O LEU A 33 -3.444 20.779 2.275 1.00 0.00 O ATOM 466 CB LEU A 33 -2.279 23.145 3.843 1.00 0.00 C ATOM 467 CG LEU A 33 -2.140 24.320 4.813 1.00 0.00 C ATOM 468 CD1 LEU A 33 -0.698 24.830 4.854 1.00 0.00 C ATOM 469 CD2 LEU A 33 -3.131 25.434 4.470 1.00 0.00 C ATOM 0 H LEU A 33 -4.474 21.890 4.701 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.823 23.978 2.680 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -2.082 22.223 4.390 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.505 23.235 3.081 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.386 23.967 5.814 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.627 25.665 5.551 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -0.037 24.027 5.181 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.401 25.162 3.859 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -3.011 26.257 5.175 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -2.940 25.792 3.458 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -4.148 25.048 4.533 1.00 0.00 H new ATOM 481 N ARG A 34 -3.880 22.448 0.812 1.00 0.00 N ATOM 482 CA ARG A 34 -3.920 21.572 -0.346 1.00 0.00 C ATOM 483 C ARG A 34 -2.501 21.196 -0.777 1.00 0.00 C ATOM 484 O ARG A 34 -1.721 22.058 -1.177 1.00 0.00 O ATOM 485 CB ARG A 34 -4.642 22.241 -1.518 1.00 0.00 C ATOM 486 CG ARG A 34 -4.694 21.312 -2.733 1.00 0.00 C ATOM 487 CD ARG A 34 -3.969 21.932 -3.929 1.00 0.00 C ATOM 488 NE ARG A 34 -4.270 21.163 -5.157 1.00 0.00 N ATOM 489 CZ ARG A 34 -4.029 21.606 -6.399 1.00 0.00 C ATOM 490 NH1 ARG A 34 -3.483 22.816 -6.584 1.00 0.00 N ATOM 491 NH2 ARG A 34 -4.335 20.840 -7.455 1.00 0.00 N ATOM 0 H ARG A 34 -4.045 23.434 0.608 1.00 0.00 H new ATOM 0 HA ARG A 34 -4.467 20.673 -0.063 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -5.655 22.512 -1.219 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -4.131 23.166 -1.785 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -4.237 20.354 -2.483 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -5.732 21.111 -2.997 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -4.279 22.970 -4.055 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -2.894 21.940 -3.749 1.00 0.00 H new ATOM 0 HE ARG A 34 -4.687 20.238 -5.052 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -3.251 23.399 -5.780 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -3.299 23.154 -7.529 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -4.751 19.920 -7.314 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -4.152 21.177 -8.400 1.00 0.00 H new ATOM 505 N ARG A 35 -2.210 19.907 -0.681 1.00 0.00 N ATOM 506 CA ARG A 35 -0.898 19.406 -1.056 1.00 0.00 C ATOM 507 C ARG A 35 -1.033 18.102 -1.844 1.00 0.00 C ATOM 508 O ARG A 35 -2.088 17.469 -1.828 1.00 0.00 O ATOM 509 CB ARG A 35 -0.029 19.160 0.179 1.00 0.00 C ATOM 510 CG ARG A 35 0.158 20.448 0.983 1.00 0.00 C ATOM 511 CD ARG A 35 1.051 21.438 0.233 1.00 0.00 C ATOM 512 NE ARG A 35 1.303 22.630 1.073 1.00 0.00 N ATOM 513 CZ ARG A 35 0.490 23.693 1.133 1.00 0.00 C ATOM 514 NH1 ARG A 35 -0.633 23.720 0.401 1.00 0.00 N ATOM 515 NH2 ARG A 35 0.799 24.730 1.923 1.00 0.00 N ATOM 0 H ARG A 35 -2.860 19.194 -0.349 1.00 0.00 H new ATOM 0 HA ARG A 35 -0.420 20.162 -1.678 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -0.491 18.399 0.807 1.00 0.00 H new ATOM 0 HB3 ARG A 35 0.943 18.774 -0.127 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -0.813 20.904 1.177 1.00 0.00 H new ATOM 0 HG3 ARG A 35 0.601 20.215 1.952 1.00 0.00 H new ATOM 0 HD2 ARG A 35 1.996 20.962 -0.029 1.00 0.00 H new ATOM 0 HD3 ARG A 35 0.574 21.735 -0.701 1.00 0.00 H new ATOM 0 HE ARG A 35 2.149 22.643 1.642 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -0.868 22.931 -0.201 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -1.252 24.529 0.447 1.00 0.00 H new ATOM 0 HH21 ARG A 35 1.654 24.710 2.479 1.00 0.00 H new ATOM 0 HH22 ARG A 35 0.180 25.539 1.968 1.00 0.00 H new ATOM 529 N TYR A 36 0.050 17.739 -2.516 1.00 0.00 N ATOM 530 CA TYR A 36 0.065 16.521 -3.309 1.00 0.00 C ATOM 531 C TYR A 36 0.720 15.373 -2.538 1.00 0.00 C ATOM 532 O TYR A 36 1.945 15.269 -2.494 1.00 0.00 O ATOM 533 CB TYR A 36 0.908 16.835 -4.546 1.00 0.00 C ATOM 534 CG TYR A 36 0.764 15.810 -5.673 1.00 0.00 C ATOM 535 CD1 TYR A 36 -0.464 15.608 -6.269 1.00 0.00 C ATOM 536 CD2 TYR A 36 1.862 15.088 -6.094 1.00 0.00 C ATOM 537 CE1 TYR A 36 -0.600 14.643 -7.330 1.00 0.00 C ATOM 538 CE2 TYR A 36 1.727 14.123 -7.154 1.00 0.00 C ATOM 539 CZ TYR A 36 0.502 13.949 -7.720 1.00 0.00 C ATOM 540 OH TYR A 36 0.374 13.038 -8.722 1.00 0.00 O ATOM 0 H TYR A 36 0.923 18.267 -2.528 1.00 0.00 H new ATOM 0 HA TYR A 36 -0.950 16.214 -3.561 1.00 0.00 H new ATOM 0 HB2 TYR A 36 0.627 17.818 -4.924 1.00 0.00 H new ATOM 0 HB3 TYR A 36 1.956 16.893 -4.253 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -1.323 16.173 -5.940 1.00 0.00 H new ATOM 0 HD2 TYR A 36 2.823 15.247 -5.628 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -1.555 14.475 -7.805 1.00 0.00 H new ATOM 0 HE2 TYR A 36 2.578 13.551 -7.492 1.00 0.00 H new ATOM 0 HH TYR A 36 1.243 12.619 -8.896 1.00 0.00 H new ATOM 550 N PHE A 37 -0.125 14.540 -1.949 1.00 0.00 N ATOM 551 CA PHE A 37 0.356 13.404 -1.182 1.00 0.00 C ATOM 552 C PHE A 37 0.766 12.254 -2.104 1.00 0.00 C ATOM 553 O PHE A 37 0.161 12.051 -3.156 1.00 0.00 O ATOM 554 CB PHE A 37 -0.801 12.942 -0.293 1.00 0.00 C ATOM 555 CG PHE A 37 -1.001 13.794 0.961 1.00 0.00 C ATOM 556 CD1 PHE A 37 -1.110 15.146 0.854 1.00 0.00 C ATOM 557 CD2 PHE A 37 -1.071 13.201 2.183 1.00 0.00 C ATOM 558 CE1 PHE A 37 -1.296 15.937 2.019 1.00 0.00 C ATOM 559 CE2 PHE A 37 -1.257 13.993 3.347 1.00 0.00 C ATOM 560 CZ PHE A 37 -1.365 15.344 3.240 1.00 0.00 C ATOM 0 H PHE A 37 -1.140 14.629 -1.988 1.00 0.00 H new ATOM 0 HA PHE A 37 1.229 13.693 -0.596 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -1.721 12.952 -0.877 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -0.625 11.909 0.007 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -1.055 15.617 -0.116 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -0.985 12.128 2.268 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -1.383 17.010 1.935 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -1.313 13.522 4.317 1.00 0.00 H new ATOM 0 HZ PHE A 37 -1.506 15.946 4.125 1.00 0.00 H new ATOM 570 N ILE A 38 1.790 11.531 -1.676 1.00 0.00 N ATOM 571 CA ILE A 38 2.288 10.407 -2.451 1.00 0.00 C ATOM 572 C ILE A 38 2.654 9.262 -1.503 1.00 0.00 C ATOM 573 O ILE A 38 3.569 9.392 -0.691 1.00 0.00 O ATOM 574 CB ILE A 38 3.440 10.848 -3.356 1.00 0.00 C ATOM 575 CG1 ILE A 38 2.941 11.775 -4.466 1.00 0.00 C ATOM 576 CG2 ILE A 38 4.192 9.638 -3.914 1.00 0.00 C ATOM 577 CD1 ILE A 38 4.067 12.680 -4.971 1.00 0.00 C ATOM 0 H ILE A 38 2.289 11.701 -0.803 1.00 0.00 H new ATOM 0 HA ILE A 38 1.513 10.033 -3.120 1.00 0.00 H new ATOM 0 HB ILE A 38 4.148 11.418 -2.755 1.00 0.00 H new ATOM 0 HG12 ILE A 38 2.549 11.181 -5.292 1.00 0.00 H new ATOM 0 HG13 ILE A 38 2.118 12.385 -4.093 1.00 0.00 H new ATOM 0 HG21 ILE A 38 5.006 9.979 -4.554 1.00 0.00 H new ATOM 0 HG22 ILE A 38 4.599 9.051 -3.091 1.00 0.00 H new ATOM 0 HG23 ILE A 38 3.507 9.021 -4.496 1.00 0.00 H new ATOM 0 HD11 ILE A 38 3.686 13.329 -5.760 1.00 0.00 H new ATOM 0 HD12 ILE A 38 4.441 13.289 -4.148 1.00 0.00 H new ATOM 0 HD13 ILE A 38 4.877 12.067 -5.366 1.00 0.00 H new ATOM 589 N LEU A 39 1.920 8.167 -1.638 1.00 0.00 N ATOM 590 CA LEU A 39 2.155 7.001 -0.804 1.00 0.00 C ATOM 591 C LEU A 39 3.316 6.191 -1.385 1.00 0.00 C ATOM 592 O LEU A 39 3.143 5.465 -2.363 1.00 0.00 O ATOM 593 CB LEU A 39 0.866 6.194 -0.635 1.00 0.00 C ATOM 594 CG LEU A 39 0.742 5.394 0.663 1.00 0.00 C ATOM 595 CD1 LEU A 39 0.587 6.325 1.868 1.00 0.00 C ATOM 596 CD2 LEU A 39 -0.399 4.378 0.574 1.00 0.00 C ATOM 0 H LEU A 39 1.162 8.063 -2.313 1.00 0.00 H new ATOM 0 HA LEU A 39 2.448 7.304 0.201 1.00 0.00 H new ATOM 0 HB2 LEU A 39 0.021 6.879 -0.699 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.780 5.503 -1.474 1.00 0.00 H new ATOM 0 HG LEU A 39 1.664 4.831 0.807 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.501 5.731 2.778 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.459 6.975 1.940 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.309 6.933 1.745 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.465 3.823 1.510 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.339 4.901 0.395 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.207 3.686 -0.246 1.00 0.00 H new ATOM 608 N ASP A 40 4.473 6.342 -0.757 1.00 0.00 N ATOM 609 CA ASP A 40 5.662 5.633 -1.199 1.00 0.00 C ATOM 610 C ASP A 40 5.914 4.441 -0.273 1.00 0.00 C ATOM 611 O ASP A 40 6.262 4.620 0.893 1.00 0.00 O ATOM 612 CB ASP A 40 6.894 6.539 -1.149 1.00 0.00 C ATOM 613 CG ASP A 40 8.167 5.934 -1.745 1.00 0.00 C ATOM 614 OD1 ASP A 40 8.225 4.687 -1.810 1.00 0.00 O ATOM 615 OD2 ASP A 40 9.052 6.732 -2.121 1.00 0.00 O ATOM 0 H ASP A 40 4.612 6.945 0.054 1.00 0.00 H new ATOM 0 HA ASP A 40 5.497 5.305 -2.225 1.00 0.00 H new ATOM 0 HB2 ASP A 40 6.667 7.464 -1.678 1.00 0.00 H new ATOM 0 HB3 ASP A 40 7.088 6.805 -0.110 1.00 0.00 H new ATOM 620 N THR A 41 5.728 3.252 -0.827 1.00 0.00 N ATOM 621 CA THR A 41 5.931 2.032 -0.066 1.00 0.00 C ATOM 622 C THR A 41 7.425 1.743 0.092 1.00 0.00 C ATOM 623 O THR A 41 7.827 1.008 0.992 1.00 0.00 O ATOM 624 CB THR A 41 5.165 0.906 -0.764 1.00 0.00 C ATOM 625 OG1 THR A 41 6.005 0.538 -1.854 1.00 0.00 O ATOM 626 CG2 THR A 41 3.881 1.400 -1.434 1.00 0.00 C ATOM 0 H THR A 41 5.439 3.108 -1.794 1.00 0.00 H new ATOM 0 HA THR A 41 5.542 2.130 0.948 1.00 0.00 H new ATOM 0 HB THR A 41 4.921 0.129 -0.039 1.00 0.00 H new ATOM 0 HG1 THR A 41 5.585 -0.189 -2.360 1.00 0.00 H new ATOM 0 HG21 THR A 41 3.376 0.562 -1.914 1.00 0.00 H new ATOM 0 HG22 THR A 41 3.224 1.838 -0.683 1.00 0.00 H new ATOM 0 HG23 THR A 41 4.128 2.153 -2.183 1.00 0.00 H new ATOM 634 N GLN A 42 8.207 2.338 -0.797 1.00 0.00 N ATOM 635 CA GLN A 42 9.648 2.154 -0.768 1.00 0.00 C ATOM 636 C GLN A 42 10.266 2.981 0.360 1.00 0.00 C ATOM 637 O GLN A 42 11.173 2.517 1.050 1.00 0.00 O ATOM 638 CB GLN A 42 10.273 2.513 -2.118 1.00 0.00 C ATOM 639 CG GLN A 42 9.709 1.633 -3.235 1.00 0.00 C ATOM 640 CD GLN A 42 10.766 1.366 -4.309 1.00 0.00 C ATOM 641 OE1 GLN A 42 11.664 2.157 -4.543 1.00 0.00 O ATOM 642 NE2 GLN A 42 10.608 0.209 -4.947 1.00 0.00 N ATOM 0 H GLN A 42 7.870 2.948 -1.542 1.00 0.00 H new ATOM 0 HA GLN A 42 9.857 1.102 -0.576 1.00 0.00 H new ATOM 0 HB2 GLN A 42 10.081 3.562 -2.344 1.00 0.00 H new ATOM 0 HB3 GLN A 42 11.355 2.391 -2.066 1.00 0.00 H new ATOM 0 HG2 GLN A 42 9.362 0.688 -2.818 1.00 0.00 H new ATOM 0 HG3 GLN A 42 8.843 2.120 -3.684 1.00 0.00 H new ATOM 0 HE21 GLN A 42 9.833 -0.407 -4.701 1.00 0.00 H new ATOM 0 HE22 GLN A 42 11.262 -0.062 -5.682 1.00 0.00 H new ATOM 651 N ALA A 43 9.750 4.192 0.514 1.00 0.00 N ATOM 652 CA ALA A 43 10.240 5.088 1.547 1.00 0.00 C ATOM 653 C ALA A 43 9.601 4.714 2.886 1.00 0.00 C ATOM 654 O ALA A 43 10.173 4.972 3.944 1.00 0.00 O ATOM 655 CB ALA A 43 9.950 6.536 1.147 1.00 0.00 C ATOM 0 H ALA A 43 8.998 4.573 -0.060 1.00 0.00 H new ATOM 0 HA ALA A 43 11.320 4.991 1.658 1.00 0.00 H new ATOM 0 HB1 ALA A 43 10.318 7.208 1.922 1.00 0.00 H new ATOM 0 HB2 ALA A 43 10.450 6.760 0.205 1.00 0.00 H new ATOM 0 HB3 ALA A 43 8.875 6.672 1.028 1.00 0.00 H new ATOM 661 N ASN A 44 8.424 4.112 2.796 1.00 0.00 N ATOM 662 CA ASN A 44 7.701 3.700 3.987 1.00 0.00 C ATOM 663 C ASN A 44 7.259 4.941 4.765 1.00 0.00 C ATOM 664 O ASN A 44 7.067 4.882 5.978 1.00 0.00 O ATOM 665 CB ASN A 44 8.589 2.858 4.906 1.00 0.00 C ATOM 666 CG ASN A 44 7.761 2.189 6.005 1.00 0.00 C ATOM 667 OD1 ASN A 44 7.037 1.234 5.778 1.00 0.00 O ATOM 668 ND2 ASN A 44 7.908 2.742 7.206 1.00 0.00 N ATOM 0 H ASN A 44 7.953 3.900 1.916 1.00 0.00 H new ATOM 0 HA ASN A 44 6.842 3.107 3.672 1.00 0.00 H new ATOM 0 HB2 ASN A 44 9.106 2.097 4.321 1.00 0.00 H new ATOM 0 HB3 ASN A 44 9.355 3.489 5.356 1.00 0.00 H new ATOM 0 HD21 ASN A 44 7.398 2.367 8.006 1.00 0.00 H new ATOM 0 HD22 ASN A 44 8.531 3.541 7.327 1.00 0.00 H new ATOM 675 N CYS A 45 7.109 6.036 4.034 1.00 0.00 N ATOM 676 CA CYS A 45 6.692 7.289 4.640 1.00 0.00 C ATOM 677 C CYS A 45 5.820 8.043 3.634 1.00 0.00 C ATOM 678 O CYS A 45 5.921 7.818 2.429 1.00 0.00 O ATOM 679 CB CYS A 45 7.891 8.124 5.095 1.00 0.00 C ATOM 680 SG CYS A 45 9.151 7.042 5.863 1.00 0.00 S ATOM 0 H CYS A 45 7.269 6.081 3.028 1.00 0.00 H new ATOM 0 HA CYS A 45 6.112 7.085 5.540 1.00 0.00 H new ATOM 0 HB2 CYS A 45 8.322 8.651 4.244 1.00 0.00 H new ATOM 0 HB3 CYS A 45 7.567 8.882 5.808 1.00 0.00 H new ATOM 0 HG CYS A 45 9.543 6.152 5.000 1.00 0.00 H new ATOM 686 N LEU A 46 4.984 8.922 4.166 1.00 0.00 N ATOM 687 CA LEU A 46 4.095 9.710 3.329 1.00 0.00 C ATOM 688 C LEU A 46 4.658 11.126 3.186 1.00 0.00 C ATOM 689 O LEU A 46 4.933 11.792 4.183 1.00 0.00 O ATOM 690 CB LEU A 46 2.667 9.669 3.876 1.00 0.00 C ATOM 691 CG LEU A 46 1.598 10.342 3.013 1.00 0.00 C ATOM 692 CD1 LEU A 46 1.989 11.783 2.680 1.00 0.00 C ATOM 693 CD2 LEU A 46 1.312 9.520 1.755 1.00 0.00 C ATOM 0 H LEU A 46 4.903 9.106 5.166 1.00 0.00 H new ATOM 0 HA LEU A 46 4.040 9.285 2.327 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.385 8.626 4.021 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.662 10.141 4.859 1.00 0.00 H new ATOM 0 HG LEU A 46 0.672 10.385 3.587 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.212 12.238 2.066 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.102 12.352 3.603 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.932 11.787 2.134 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.549 10.020 1.159 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.225 9.424 1.168 1.00 0.00 H new ATOM 0 HD23 LEU A 46 0.958 8.529 2.040 1.00 0.00 H new ATOM 705 N LEU A 47 4.814 11.543 1.938 1.00 0.00 N ATOM 706 CA LEU A 47 5.340 12.867 1.652 1.00 0.00 C ATOM 707 C LEU A 47 4.360 13.615 0.746 1.00 0.00 C ATOM 708 O LEU A 47 3.920 13.083 -0.272 1.00 0.00 O ATOM 709 CB LEU A 47 6.755 12.769 1.078 1.00 0.00 C ATOM 710 CG LEU A 47 7.686 11.763 1.758 1.00 0.00 C ATOM 711 CD1 LEU A 47 8.572 11.055 0.730 1.00 0.00 C ATOM 712 CD2 LEU A 47 8.509 12.434 2.859 1.00 0.00 C ATOM 0 H LEU A 47 4.585 10.987 1.114 1.00 0.00 H new ATOM 0 HA LEU A 47 5.433 13.447 2.570 1.00 0.00 H new ATOM 0 HB2 LEU A 47 6.680 12.509 0.022 1.00 0.00 H new ATOM 0 HB3 LEU A 47 7.217 13.755 1.131 1.00 0.00 H new ATOM 0 HG LEU A 47 7.073 10.999 2.236 1.00 0.00 H new ATOM 0 HD11 LEU A 47 9.224 10.345 1.239 1.00 0.00 H new ATOM 0 HD12 LEU A 47 7.945 10.523 0.014 1.00 0.00 H new ATOM 0 HD13 LEU A 47 9.178 11.792 0.203 1.00 0.00 H new ATOM 0 HD21 LEU A 47 9.162 11.697 3.326 1.00 0.00 H new ATOM 0 HD22 LEU A 47 9.113 13.232 2.427 1.00 0.00 H new ATOM 0 HD23 LEU A 47 7.839 12.853 3.610 1.00 0.00 H new ATOM 724 N TRP A 48 4.046 14.838 1.150 1.00 0.00 N ATOM 725 CA TRP A 48 3.126 15.664 0.388 1.00 0.00 C ATOM 726 C TRP A 48 3.882 16.912 -0.073 1.00 0.00 C ATOM 727 O TRP A 48 4.437 17.643 0.746 1.00 0.00 O ATOM 728 CB TRP A 48 1.875 15.991 1.206 1.00 0.00 C ATOM 729 CG TRP A 48 2.165 16.703 2.529 1.00 0.00 C ATOM 730 CD1 TRP A 48 2.461 17.996 2.722 1.00 0.00 C ATOM 731 CD2 TRP A 48 2.175 16.106 3.843 1.00 0.00 C ATOM 732 NE1 TRP A 48 2.660 18.274 4.059 1.00 0.00 N ATOM 733 CE2 TRP A 48 2.481 17.089 4.762 1.00 0.00 C ATOM 734 CE3 TRP A 48 1.933 14.779 4.241 1.00 0.00 C ATOM 735 CZ2 TRP A 48 2.573 16.849 6.138 1.00 0.00 C ATOM 736 CZ3 TRP A 48 2.030 14.556 5.620 1.00 0.00 C ATOM 737 CH2 TRP A 48 2.337 15.534 6.558 1.00 0.00 C ATOM 0 H TRP A 48 4.413 15.276 1.995 1.00 0.00 H new ATOM 0 HA TRP A 48 2.766 15.130 -0.491 1.00 0.00 H new ATOM 0 HB2 TRP A 48 1.214 16.617 0.606 1.00 0.00 H new ATOM 0 HB3 TRP A 48 1.337 15.066 1.413 1.00 0.00 H new ATOM 0 HD1 TRP A 48 2.534 18.728 1.931 1.00 0.00 H new ATOM 0 HE1 TRP A 48 2.895 19.183 4.458 1.00 0.00 H new ATOM 0 HE3 TRP A 48 1.692 13.995 3.539 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 2.813 17.636 6.838 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 1.854 13.553 5.980 1.00 0.00 H new ATOM 0 HH2 TRP A 48 2.393 15.281 7.606 1.00 0.00 H new ATOM 748 N TYR A 49 3.878 17.118 -1.382 1.00 0.00 N ATOM 749 CA TYR A 49 4.557 18.265 -1.960 1.00 0.00 C ATOM 750 C TYR A 49 3.550 19.300 -2.467 1.00 0.00 C ATOM 751 O TYR A 49 2.544 18.945 -3.080 1.00 0.00 O ATOM 752 CB TYR A 49 5.357 17.726 -3.148 1.00 0.00 C ATOM 753 CG TYR A 49 6.490 16.776 -2.755 1.00 0.00 C ATOM 754 CD1 TYR A 49 6.201 15.496 -2.330 1.00 0.00 C ATOM 755 CD2 TYR A 49 7.802 17.200 -2.825 1.00 0.00 C ATOM 756 CE1 TYR A 49 7.267 14.601 -1.961 1.00 0.00 C ATOM 757 CE2 TYR A 49 8.868 16.306 -2.455 1.00 0.00 C ATOM 758 CZ TYR A 49 8.548 15.051 -2.041 1.00 0.00 C ATOM 759 OH TYR A 49 9.556 14.206 -1.692 1.00 0.00 O ATOM 0 H TYR A 49 3.416 16.510 -2.058 1.00 0.00 H new ATOM 0 HA TYR A 49 5.188 18.752 -1.217 1.00 0.00 H new ATOM 0 HB2 TYR A 49 4.678 17.206 -3.824 1.00 0.00 H new ATOM 0 HB3 TYR A 49 5.776 18.566 -3.702 1.00 0.00 H new ATOM 0 HD1 TYR A 49 5.175 15.165 -2.274 1.00 0.00 H new ATOM 0 HD2 TYR A 49 8.029 18.202 -3.157 1.00 0.00 H new ATOM 0 HE1 TYR A 49 7.054 13.596 -1.628 1.00 0.00 H new ATOM 0 HE2 TYR A 49 9.899 16.625 -2.505 1.00 0.00 H new ATOM 0 HH TYR A 49 10.417 14.662 -1.800 1.00 0.00 H new ATOM 769 N MET A 50 3.855 20.559 -2.192 1.00 0.00 N ATOM 770 CA MET A 50 2.989 21.648 -2.611 1.00 0.00 C ATOM 771 C MET A 50 2.436 21.398 -4.016 1.00 0.00 C ATOM 772 O MET A 50 1.278 21.704 -4.294 1.00 0.00 O ATOM 773 CB MET A 50 3.776 22.960 -2.598 1.00 0.00 C ATOM 774 CG MET A 50 3.710 23.626 -1.222 1.00 0.00 C ATOM 775 SD MET A 50 3.033 25.270 -1.371 1.00 0.00 S ATOM 776 CE MET A 50 1.302 24.877 -1.559 1.00 0.00 C ATOM 0 H MET A 50 4.690 20.850 -1.684 1.00 0.00 H new ATOM 0 HA MET A 50 2.151 21.710 -1.916 1.00 0.00 H new ATOM 0 HB2 MET A 50 4.816 22.767 -2.863 1.00 0.00 H new ATOM 0 HB3 MET A 50 3.375 23.636 -3.353 1.00 0.00 H new ATOM 0 HG2 MET A 50 3.093 23.030 -0.550 1.00 0.00 H new ATOM 0 HG3 MET A 50 4.707 23.673 -0.783 1.00 0.00 H new ATOM 0 HE1 MET A 50 0.991 25.082 -2.583 1.00 0.00 H new ATOM 0 HE2 MET A 50 1.142 23.822 -1.336 1.00 0.00 H new ATOM 0 HE3 MET A 50 0.714 25.486 -0.873 1.00 0.00 H new ATOM 786 N ASP A 51 3.291 20.845 -4.864 1.00 0.00 N ATOM 787 CA ASP A 51 2.902 20.551 -6.233 1.00 0.00 C ATOM 788 C ASP A 51 3.700 19.347 -6.737 1.00 0.00 C ATOM 789 O ASP A 51 4.670 18.932 -6.105 1.00 0.00 O ATOM 790 CB ASP A 51 3.198 21.735 -7.156 1.00 0.00 C ATOM 791 CG ASP A 51 1.963 22.460 -7.694 1.00 0.00 C ATOM 792 OD1 ASP A 51 1.237 21.828 -8.492 1.00 0.00 O ATOM 793 OD2 ASP A 51 1.772 23.629 -7.295 1.00 0.00 O ATOM 0 H ASP A 51 4.251 20.593 -4.630 1.00 0.00 H new ATOM 0 HA ASP A 51 1.832 20.345 -6.243 1.00 0.00 H new ATOM 0 HB2 ASP A 51 3.815 22.453 -6.615 1.00 0.00 H new ATOM 0 HB3 ASP A 51 3.789 21.379 -8.000 1.00 0.00 H new ATOM 936 N VAL A 63 6.792 19.313 1.735 1.00 0.00 N ATOM 937 CA VAL A 63 6.230 20.272 2.671 1.00 0.00 C ATOM 938 C VAL A 63 6.181 19.648 4.067 1.00 0.00 C ATOM 939 O VAL A 63 6.294 20.351 5.069 1.00 0.00 O ATOM 940 CB VAL A 63 4.859 20.742 2.178 1.00 0.00 C ATOM 941 CG1 VAL A 63 4.510 22.115 2.757 1.00 0.00 C ATOM 942 CG2 VAL A 63 4.804 20.762 0.649 1.00 0.00 C ATOM 0 HA VAL A 63 6.861 21.159 2.734 1.00 0.00 H new ATOM 0 HB VAL A 63 4.113 20.030 2.531 1.00 0.00 H new ATOM 0 HG11 VAL A 63 3.531 22.426 2.391 1.00 0.00 H new ATOM 0 HG12 VAL A 63 4.489 22.056 3.845 1.00 0.00 H new ATOM 0 HG13 VAL A 63 5.261 22.842 2.447 1.00 0.00 H new ATOM 0 HG21 VAL A 63 3.820 21.099 0.325 1.00 0.00 H new ATOM 0 HG22 VAL A 63 5.565 21.442 0.266 1.00 0.00 H new ATOM 0 HG23 VAL A 63 4.988 19.759 0.265 1.00 0.00 H new ATOM 952 N GLY A 64 6.013 18.334 4.087 1.00 0.00 N ATOM 953 CA GLY A 64 5.948 17.607 5.343 1.00 0.00 C ATOM 954 C GLY A 64 6.409 16.159 5.163 1.00 0.00 C ATOM 955 O GLY A 64 7.193 15.861 4.264 1.00 0.00 O ATOM 0 H GLY A 64 5.920 17.754 3.253 1.00 0.00 H new ATOM 0 HA2 GLY A 64 6.573 18.102 6.086 1.00 0.00 H new ATOM 0 HA3 GLY A 64 4.927 17.623 5.724 1.00 0.00 H new ATOM 959 N SER A 65 5.901 15.298 6.033 1.00 0.00 N ATOM 960 CA SER A 65 6.251 13.888 5.981 1.00 0.00 C ATOM 961 C SER A 65 5.511 13.125 7.081 1.00 0.00 C ATOM 962 O SER A 65 5.330 13.639 8.184 1.00 0.00 O ATOM 963 CB SER A 65 7.761 13.690 6.122 1.00 0.00 C ATOM 964 OG SER A 65 8.260 14.232 7.342 1.00 0.00 O ATOM 0 H SER A 65 5.250 15.549 6.777 1.00 0.00 H new ATOM 0 HA SER A 65 5.950 13.496 5.010 1.00 0.00 H new ATOM 0 HB2 SER A 65 7.993 12.626 6.077 1.00 0.00 H new ATOM 0 HB3 SER A 65 8.269 14.163 5.281 1.00 0.00 H new ATOM 0 HG SER A 65 9.227 14.084 7.394 1.00 0.00 H new ATOM 970 N LEU A 66 5.103 11.911 6.743 1.00 0.00 N ATOM 971 CA LEU A 66 4.387 11.071 7.689 1.00 0.00 C ATOM 972 C LEU A 66 4.904 9.635 7.583 1.00 0.00 C ATOM 973 O LEU A 66 4.465 8.875 6.722 1.00 0.00 O ATOM 974 CB LEU A 66 2.876 11.197 7.480 1.00 0.00 C ATOM 975 CG LEU A 66 2.090 11.823 8.633 1.00 0.00 C ATOM 976 CD1 LEU A 66 0.602 11.925 8.290 1.00 0.00 C ATOM 977 CD2 LEU A 66 2.327 11.059 9.937 1.00 0.00 C ATOM 0 H LEU A 66 5.254 11.488 5.827 1.00 0.00 H new ATOM 0 HA LEU A 66 4.574 11.403 8.710 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.702 11.791 6.583 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.472 10.203 7.288 1.00 0.00 H new ATOM 0 HG LEU A 66 2.456 12.839 8.784 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.066 12.373 9.126 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.475 12.545 7.403 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.204 10.929 8.096 1.00 0.00 H new ATOM 0 HD21 LEU A 66 1.757 11.525 10.741 1.00 0.00 H new ATOM 0 HD22 LEU A 66 2.005 10.025 9.816 1.00 0.00 H new ATOM 0 HD23 LEU A 66 3.388 11.082 10.185 1.00 0.00 H new ATOM 989 N GLN A 67 5.831 9.308 8.471 1.00 0.00 N ATOM 990 CA GLN A 67 6.413 7.976 8.489 1.00 0.00 C ATOM 991 C GLN A 67 5.336 6.930 8.782 1.00 0.00 C ATOM 992 O GLN A 67 4.583 7.062 9.746 1.00 0.00 O ATOM 993 CB GLN A 67 7.553 7.890 9.506 1.00 0.00 C ATOM 994 CG GLN A 67 8.744 8.745 9.070 1.00 0.00 C ATOM 995 CD GLN A 67 9.107 9.770 10.147 1.00 0.00 C ATOM 996 OE1 GLN A 67 9.138 9.479 11.331 1.00 0.00 O ATOM 997 NE2 GLN A 67 9.377 10.982 9.670 1.00 0.00 N ATOM 0 H GLN A 67 6.194 9.942 9.183 1.00 0.00 H new ATOM 0 HA GLN A 67 6.832 7.770 7.504 1.00 0.00 H new ATOM 0 HB2 GLN A 67 7.200 8.223 10.482 1.00 0.00 H new ATOM 0 HB3 GLN A 67 7.868 6.852 9.618 1.00 0.00 H new ATOM 0 HG2 GLN A 67 9.602 8.104 8.869 1.00 0.00 H new ATOM 0 HG3 GLN A 67 8.506 9.259 8.139 1.00 0.00 H new ATOM 0 HE21 GLN A 67 9.332 11.157 8.666 1.00 0.00 H new ATOM 0 HE22 GLN A 67 9.629 11.737 10.308 1.00 0.00 H new ATOM 1006 N LEU A 68 5.297 5.914 7.932 1.00 0.00 N ATOM 1007 CA LEU A 68 4.324 4.846 8.088 1.00 0.00 C ATOM 1008 C LEU A 68 4.535 4.163 9.441 1.00 0.00 C ATOM 1009 O LEU A 68 3.587 3.658 10.040 1.00 0.00 O ATOM 1010 CB LEU A 68 4.388 3.886 6.898 1.00 0.00 C ATOM 1011 CG LEU A 68 4.150 4.508 5.521 1.00 0.00 C ATOM 1012 CD1 LEU A 68 4.222 3.448 4.420 1.00 0.00 C ATOM 1013 CD2 LEU A 68 2.829 5.279 5.488 1.00 0.00 C ATOM 0 H LEU A 68 5.923 5.808 7.134 1.00 0.00 H new ATOM 0 HA LEU A 68 3.312 5.250 8.089 1.00 0.00 H new ATOM 0 HB2 LEU A 68 5.368 3.408 6.894 1.00 0.00 H new ATOM 0 HB3 LEU A 68 3.650 3.099 7.052 1.00 0.00 H new ATOM 0 HG LEU A 68 4.947 5.226 5.329 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.049 3.917 3.451 1.00 0.00 H new ATOM 0 HD12 LEU A 68 5.208 2.982 4.427 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.461 2.688 4.596 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.685 5.711 4.498 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.006 4.600 5.711 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.854 6.076 6.231 1.00 0.00 H new ATOM 1025 N THR A 69 5.784 4.169 9.882 1.00 0.00 N ATOM 1026 CA THR A 69 6.132 3.557 11.153 1.00 0.00 C ATOM 1027 C THR A 69 5.191 4.046 12.256 1.00 0.00 C ATOM 1028 O THR A 69 5.020 3.376 13.274 1.00 0.00 O ATOM 1029 CB THR A 69 7.605 3.856 11.435 1.00 0.00 C ATOM 1030 OG1 THR A 69 7.823 3.329 12.741 1.00 0.00 O ATOM 1031 CG2 THR A 69 7.880 5.353 11.587 1.00 0.00 C ATOM 0 H THR A 69 6.568 4.588 9.382 1.00 0.00 H new ATOM 0 HA THR A 69 6.006 2.475 11.118 1.00 0.00 H new ATOM 0 HB THR A 69 8.217 3.455 10.628 1.00 0.00 H new ATOM 0 HG1 THR A 69 8.755 3.479 13.003 1.00 0.00 H new ATOM 0 HG21 THR A 69 8.940 5.510 11.786 1.00 0.00 H new ATOM 0 HG22 THR A 69 7.603 5.869 10.668 1.00 0.00 H new ATOM 0 HG23 THR A 69 7.293 5.748 12.416 1.00 0.00 H new ATOM 1039 N TYR A 70 4.605 5.210 12.016 1.00 0.00 N ATOM 1040 CA TYR A 70 3.685 5.796 12.976 1.00 0.00 C ATOM 1041 C TYR A 70 2.261 5.284 12.756 1.00 0.00 C ATOM 1042 O TYR A 70 1.696 4.618 13.622 1.00 0.00 O ATOM 1043 CB TYR A 70 3.716 7.305 12.723 1.00 0.00 C ATOM 1044 CG TYR A 70 5.057 7.964 13.053 1.00 0.00 C ATOM 1045 CD1 TYR A 70 5.807 7.508 14.118 1.00 0.00 C ATOM 1046 CD2 TYR A 70 5.517 9.015 12.285 1.00 0.00 C ATOM 1047 CE1 TYR A 70 7.069 8.128 14.428 1.00 0.00 C ATOM 1048 CE2 TYR A 70 6.779 9.635 12.596 1.00 0.00 C ATOM 1049 CZ TYR A 70 7.492 9.161 13.652 1.00 0.00 C ATOM 1050 OH TYR A 70 8.684 9.747 13.945 1.00 0.00 O ATOM 0 H TYR A 70 4.749 5.763 11.171 1.00 0.00 H new ATOM 0 HA TYR A 70 3.977 5.536 13.994 1.00 0.00 H new ATOM 0 HB2 TYR A 70 3.479 7.492 11.676 1.00 0.00 H new ATOM 0 HB3 TYR A 70 2.934 7.779 13.317 1.00 0.00 H new ATOM 0 HD1 TYR A 70 5.447 6.686 14.719 1.00 0.00 H new ATOM 0 HD2 TYR A 70 4.931 9.372 11.451 1.00 0.00 H new ATOM 0 HE1 TYR A 70 7.666 7.780 15.258 1.00 0.00 H new ATOM 0 HE2 TYR A 70 7.151 10.458 12.004 1.00 0.00 H new ATOM 0 HH TYR A 70 9.208 9.850 13.124 1.00 0.00 H new ATOM 1060 N ILE A 71 1.721 5.613 11.592 1.00 0.00 N ATOM 1061 CA ILE A 71 0.373 5.194 11.246 1.00 0.00 C ATOM 1062 C ILE A 71 0.151 3.759 11.728 1.00 0.00 C ATOM 1063 O ILE A 71 1.013 2.900 11.548 1.00 0.00 O ATOM 1064 CB ILE A 71 0.119 5.387 9.750 1.00 0.00 C ATOM 1065 CG1 ILE A 71 0.034 6.873 9.395 1.00 0.00 C ATOM 1066 CG2 ILE A 71 -1.125 4.618 9.301 1.00 0.00 C ATOM 1067 CD1 ILE A 71 1.421 7.445 9.094 1.00 0.00 C ATOM 0 H ILE A 71 2.193 6.165 10.876 1.00 0.00 H new ATOM 0 HA ILE A 71 -0.362 5.819 11.753 1.00 0.00 H new ATOM 0 HB ILE A 71 0.967 4.974 9.204 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -0.614 7.007 8.529 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -0.419 7.422 10.220 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -1.283 4.772 8.234 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -0.986 3.555 9.497 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -1.994 4.978 9.852 1.00 0.00 H new ATOM 0 HD11 ILE A 71 1.332 8.502 8.845 1.00 0.00 H new ATOM 0 HD12 ILE A 71 2.059 7.331 9.970 1.00 0.00 H new ATOM 0 HD13 ILE A 71 1.861 6.909 8.253 1.00 0.00 H new ATOM 1079 N SER A 72 -1.010 3.544 12.329 1.00 0.00 N ATOM 1080 CA SER A 72 -1.356 2.228 12.838 1.00 0.00 C ATOM 1081 C SER A 72 -2.631 1.724 12.159 1.00 0.00 C ATOM 1082 O SER A 72 -2.745 0.540 11.846 1.00 0.00 O ATOM 1083 CB SER A 72 -1.538 2.255 14.357 1.00 0.00 C ATOM 1084 OG SER A 72 -0.462 2.920 15.012 1.00 0.00 O ATOM 0 H SER A 72 -1.723 4.259 12.475 1.00 0.00 H new ATOM 0 HA SER A 72 -0.537 1.546 12.610 1.00 0.00 H new ATOM 0 HB2 SER A 72 -2.475 2.755 14.601 1.00 0.00 H new ATOM 0 HB3 SER A 72 -1.615 1.234 14.731 1.00 0.00 H new ATOM 0 HG SER A 72 -0.616 2.917 15.980 1.00 0.00 H new ATOM 1090 N LYS A 73 -3.558 2.647 11.952 1.00 0.00 N ATOM 1091 CA LYS A 73 -4.821 2.311 11.317 1.00 0.00 C ATOM 1092 C LYS A 73 -5.319 3.515 10.514 1.00 0.00 C ATOM 1093 O LYS A 73 -5.072 4.660 10.888 1.00 0.00 O ATOM 1094 CB LYS A 73 -5.825 1.806 12.354 1.00 0.00 C ATOM 1095 CG LYS A 73 -7.233 1.724 11.760 1.00 0.00 C ATOM 1096 CD LYS A 73 -8.032 2.993 12.065 1.00 0.00 C ATOM 1097 CE LYS A 73 -8.376 3.079 13.554 1.00 0.00 C ATOM 1098 NZ LYS A 73 -9.803 2.756 13.775 1.00 0.00 N ATOM 0 H LYS A 73 -3.460 3.628 12.213 1.00 0.00 H new ATOM 0 HA LYS A 73 -4.686 1.490 10.612 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -5.520 0.823 12.712 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -5.829 2.472 13.217 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -7.169 1.581 10.681 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -7.753 0.856 12.166 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -7.456 3.870 11.770 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -8.949 3.001 11.475 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -7.749 2.389 14.119 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -8.162 4.081 13.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -10.020 2.819 14.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -10.397 3.431 13.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -9.997 1.791 13.439 1.00 0.00 H new ATOM 1112 N VAL A 74 -6.011 3.214 9.425 1.00 0.00 N ATOM 1113 CA VAL A 74 -6.546 4.257 8.566 1.00 0.00 C ATOM 1114 C VAL A 74 -8.028 3.984 8.302 1.00 0.00 C ATOM 1115 O VAL A 74 -8.370 3.182 7.434 1.00 0.00 O ATOM 1116 CB VAL A 74 -5.718 4.354 7.283 1.00 0.00 C ATOM 1117 CG1 VAL A 74 -6.178 5.532 6.422 1.00 0.00 C ATOM 1118 CG2 VAL A 74 -4.225 4.456 7.600 1.00 0.00 C ATOM 0 H VAL A 74 -6.214 2.263 9.118 1.00 0.00 H new ATOM 0 HA VAL A 74 -6.477 5.228 9.056 1.00 0.00 H new ATOM 0 HB VAL A 74 -5.877 3.439 6.712 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -5.573 5.579 5.516 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -7.226 5.398 6.153 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -6.063 6.459 6.983 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -3.660 4.524 6.671 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -4.041 5.346 8.202 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -3.909 3.571 8.153 1.00 0.00 H new ATOM 1128 N SER A 75 -8.868 4.665 9.067 1.00 0.00 N ATOM 1129 CA SER A 75 -10.305 4.507 8.927 1.00 0.00 C ATOM 1130 C SER A 75 -10.929 5.809 8.421 1.00 0.00 C ATOM 1131 O SER A 75 -10.340 6.879 8.563 1.00 0.00 O ATOM 1132 CB SER A 75 -10.946 4.092 10.253 1.00 0.00 C ATOM 1133 OG SER A 75 -12.350 4.333 10.266 1.00 0.00 O ATOM 0 H SER A 75 -8.580 5.328 9.787 1.00 0.00 H new ATOM 0 HA SER A 75 -10.492 3.716 8.201 1.00 0.00 H new ATOM 0 HB2 SER A 75 -10.758 3.033 10.431 1.00 0.00 H new ATOM 0 HB3 SER A 75 -10.477 4.640 11.070 1.00 0.00 H new ATOM 0 HG SER A 75 -12.722 4.053 11.129 1.00 0.00 H new ATOM 1139 N ILE A 76 -12.112 5.674 7.840 1.00 0.00 N ATOM 1140 CA ILE A 76 -12.822 6.827 7.311 1.00 0.00 C ATOM 1141 C ILE A 76 -13.219 7.749 8.466 1.00 0.00 C ATOM 1142 O ILE A 76 -13.714 7.286 9.492 1.00 0.00 O ATOM 1143 CB ILE A 76 -14.003 6.379 6.447 1.00 0.00 C ATOM 1144 CG1 ILE A 76 -13.532 5.488 5.296 1.00 0.00 C ATOM 1145 CG2 ILE A 76 -14.805 7.583 5.950 1.00 0.00 C ATOM 1146 CD1 ILE A 76 -12.828 6.313 4.217 1.00 0.00 C ATOM 0 H ILE A 76 -12.597 4.784 7.724 1.00 0.00 H new ATOM 0 HA ILE A 76 -12.175 7.403 6.650 1.00 0.00 H new ATOM 0 HB ILE A 76 -14.672 5.780 7.065 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -12.853 4.725 5.676 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -14.385 4.967 4.862 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -15.639 7.238 5.338 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -15.188 8.142 6.803 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -14.160 8.228 5.353 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -12.503 5.656 3.410 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -13.517 7.059 3.822 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -11.961 6.813 4.649 1.00 0.00 H new ATOM 1158 N ALA A 77 -12.988 9.037 8.259 1.00 0.00 N ATOM 1159 CA ALA A 77 -13.316 10.028 9.270 1.00 0.00 C ATOM 1160 C ALA A 77 -14.836 10.113 9.420 1.00 0.00 C ATOM 1161 O ALA A 77 -15.573 9.831 8.477 1.00 0.00 O ATOM 1162 CB ALA A 77 -12.691 11.372 8.889 1.00 0.00 C ATOM 0 H ALA A 77 -12.578 9.417 7.406 1.00 0.00 H new ATOM 0 HA ALA A 77 -12.905 9.740 10.238 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -12.937 12.116 9.647 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -11.608 11.264 8.824 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -13.082 11.695 7.924 1.00 0.00 H new ATOM 1321 N PHE A 87 -16.002 12.066 1.680 1.00 0.00 N ATOM 1322 CA PHE A 87 -14.860 11.191 1.475 1.00 0.00 C ATOM 1323 C PHE A 87 -13.638 11.696 2.245 1.00 0.00 C ATOM 1324 O PHE A 87 -12.720 12.265 1.655 1.00 0.00 O ATOM 1325 CB PHE A 87 -14.547 11.206 -0.022 1.00 0.00 C ATOM 1326 CG PHE A 87 -15.768 11.456 -0.910 1.00 0.00 C ATOM 1327 CD1 PHE A 87 -16.668 10.459 -1.126 1.00 0.00 C ATOM 1328 CD2 PHE A 87 -15.953 12.675 -1.484 1.00 0.00 C ATOM 1329 CE1 PHE A 87 -17.800 10.691 -1.950 1.00 0.00 C ATOM 1330 CE2 PHE A 87 -17.086 12.907 -2.309 1.00 0.00 C ATOM 1331 CZ PHE A 87 -17.985 11.910 -2.524 1.00 0.00 C ATOM 0 HA PHE A 87 -15.092 10.187 1.831 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -13.803 11.977 -0.220 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -14.098 10.252 -0.299 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -16.521 9.491 -0.670 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -15.239 13.467 -1.313 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -18.515 9.899 -2.121 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -17.233 13.875 -2.765 1.00 0.00 H new ATOM 0 HZ PHE A 87 -18.847 12.086 -3.151 1.00 0.00 H new ATOM 1341 N CYS A 88 -13.665 11.470 3.550 1.00 0.00 N ATOM 1342 CA CYS A 88 -12.571 11.896 4.406 1.00 0.00 C ATOM 1343 C CYS A 88 -12.077 10.681 5.194 1.00 0.00 C ATOM 1344 O CYS A 88 -12.878 9.873 5.662 1.00 0.00 O ATOM 1345 CB CYS A 88 -12.987 13.044 5.328 1.00 0.00 C ATOM 1346 SG CYS A 88 -14.663 12.734 5.995 1.00 0.00 S ATOM 0 H CYS A 88 -14.427 10.997 4.036 1.00 0.00 H new ATOM 0 HA CYS A 88 -11.758 12.286 3.794 1.00 0.00 H new ATOM 0 HB2 CYS A 88 -12.273 13.141 6.146 1.00 0.00 H new ATOM 0 HB3 CYS A 88 -12.973 13.986 4.779 1.00 0.00 H new ATOM 0 HG CYS A 88 -15.006 13.713 6.778 1.00 0.00 H new ATOM 1352 N PHE A 89 -10.761 10.590 5.317 1.00 0.00 N ATOM 1353 CA PHE A 89 -10.152 9.487 6.041 1.00 0.00 C ATOM 1354 C PHE A 89 -9.213 10.001 7.134 1.00 0.00 C ATOM 1355 O PHE A 89 -8.471 10.959 6.921 1.00 0.00 O ATOM 1356 CB PHE A 89 -9.340 8.680 5.026 1.00 0.00 C ATOM 1357 CG PHE A 89 -8.129 9.427 4.463 1.00 0.00 C ATOM 1358 CD1 PHE A 89 -7.002 9.557 5.213 1.00 0.00 C ATOM 1359 CD2 PHE A 89 -8.179 9.960 3.213 1.00 0.00 C ATOM 1360 CE1 PHE A 89 -5.877 10.250 4.691 1.00 0.00 C ATOM 1361 CE2 PHE A 89 -7.055 10.653 2.691 1.00 0.00 C ATOM 1362 CZ PHE A 89 -5.928 10.783 3.441 1.00 0.00 C ATOM 0 H PHE A 89 -10.100 11.262 4.928 1.00 0.00 H new ATOM 0 HA PHE A 89 -10.924 8.883 6.517 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -8.998 7.759 5.499 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -9.992 8.392 4.201 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -6.962 9.133 6.206 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -9.074 9.856 2.617 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -4.982 10.353 5.286 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -7.095 11.077 1.698 1.00 0.00 H new ATOM 0 HZ PHE A 89 -5.073 11.310 3.044 1.00 0.00 H new ATOM 1372 N VAL A 90 -9.276 9.341 8.282 1.00 0.00 N ATOM 1373 CA VAL A 90 -8.440 9.719 9.409 1.00 0.00 C ATOM 1374 C VAL A 90 -7.315 8.695 9.571 1.00 0.00 C ATOM 1375 O VAL A 90 -7.575 7.507 9.758 1.00 0.00 O ATOM 1376 CB VAL A 90 -9.297 9.871 10.667 1.00 0.00 C ATOM 1377 CG1 VAL A 90 -8.455 9.677 11.930 1.00 0.00 C ATOM 1378 CG2 VAL A 90 -10.009 11.224 10.686 1.00 0.00 C ATOM 0 H VAL A 90 -9.893 8.547 8.456 1.00 0.00 H new ATOM 0 HA VAL A 90 -7.973 10.688 9.231 1.00 0.00 H new ATOM 0 HB VAL A 90 -10.059 9.092 10.649 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -9.088 9.790 12.810 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -8.016 8.679 11.925 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -7.661 10.423 11.956 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -10.611 11.306 11.591 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -9.269 12.025 10.669 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -10.655 11.308 9.812 1.00 0.00 H new ATOM 1388 N ILE A 91 -6.090 9.192 9.493 1.00 0.00 N ATOM 1389 CA ILE A 91 -4.924 8.335 9.629 1.00 0.00 C ATOM 1390 C ILE A 91 -4.580 8.180 11.111 1.00 0.00 C ATOM 1391 O ILE A 91 -4.043 9.100 11.727 1.00 0.00 O ATOM 1392 CB ILE A 91 -3.767 8.866 8.781 1.00 0.00 C ATOM 1393 CG1 ILE A 91 -3.933 8.466 7.313 1.00 0.00 C ATOM 1394 CG2 ILE A 91 -2.419 8.415 9.349 1.00 0.00 C ATOM 1395 CD1 ILE A 91 -2.909 9.182 6.431 1.00 0.00 C ATOM 0 H ILE A 91 -5.879 10.178 9.337 1.00 0.00 H new ATOM 0 HA ILE A 91 -5.138 7.337 9.246 1.00 0.00 H new ATOM 0 HB ILE A 91 -3.786 9.955 8.822 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -3.815 7.387 7.211 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -4.941 8.710 6.978 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -1.613 8.806 8.728 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -2.308 8.791 10.366 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -2.374 7.326 9.358 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -3.049 8.880 5.393 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -3.045 10.260 6.517 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -1.902 8.917 6.754 1.00 0.00 H new ATOM 1407 N ASN A 92 -4.904 7.010 11.642 1.00 0.00 N ATOM 1408 CA ASN A 92 -4.635 6.723 13.041 1.00 0.00 C ATOM 1409 C ASN A 92 -3.175 6.294 13.198 1.00 0.00 C ATOM 1410 O ASN A 92 -2.722 5.366 12.530 1.00 0.00 O ATOM 1411 CB ASN A 92 -5.520 5.583 13.549 1.00 0.00 C ATOM 1412 CG ASN A 92 -6.396 6.046 14.715 1.00 0.00 C ATOM 1413 OD1 ASN A 92 -5.975 6.101 15.858 1.00 0.00 O ATOM 1414 ND2 ASN A 92 -7.635 6.377 14.362 1.00 0.00 N ATOM 0 H ASN A 92 -5.350 6.250 11.129 1.00 0.00 H new ATOM 0 HA ASN A 92 -4.843 7.625 13.616 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -6.151 5.219 12.738 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -4.896 4.748 13.868 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -8.297 6.700 15.067 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -7.923 6.308 13.386 1.00 0.00 H new ATOM 1421 N ALA A 93 -2.480 6.989 14.086 1.00 0.00 N ATOM 1422 CA ALA A 93 -1.080 6.692 14.339 1.00 0.00 C ATOM 1423 C ALA A 93 -0.872 6.481 15.840 1.00 0.00 C ATOM 1424 O ALA A 93 -1.723 5.902 16.514 1.00 0.00 O ATOM 1425 CB ALA A 93 -0.209 7.820 13.782 1.00 0.00 C ATOM 0 H ALA A 93 -2.860 7.757 14.639 1.00 0.00 H new ATOM 0 HA ALA A 93 -0.785 5.773 13.832 1.00 0.00 H new ATOM 0 HB1 ALA A 93 0.841 7.597 13.972 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -0.372 7.909 12.708 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -0.474 8.759 14.269 1.00 0.00 H new ATOM 1431 N LEU A 94 0.265 6.963 16.321 1.00 0.00 N ATOM 1432 CA LEU A 94 0.596 6.835 17.730 1.00 0.00 C ATOM 1433 C LEU A 94 -0.662 7.071 18.568 1.00 0.00 C ATOM 1434 O LEU A 94 -1.274 6.122 19.055 1.00 0.00 O ATOM 1435 CB LEU A 94 1.759 7.760 18.093 1.00 0.00 C ATOM 1436 CG LEU A 94 2.857 7.904 17.037 1.00 0.00 C ATOM 1437 CD1 LEU A 94 3.081 6.584 16.296 1.00 0.00 C ATOM 1438 CD2 LEU A 94 2.548 9.055 16.078 1.00 0.00 C ATOM 0 H LEU A 94 0.969 7.443 15.760 1.00 0.00 H new ATOM 0 HA LEU A 94 0.942 5.825 17.950 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.356 8.750 18.307 1.00 0.00 H new ATOM 0 HB3 LEU A 94 2.214 7.395 19.014 1.00 0.00 H new ATOM 0 HG LEU A 94 3.789 8.150 17.545 1.00 0.00 H new ATOM 0 HD11 LEU A 94 3.866 6.714 15.551 1.00 0.00 H new ATOM 0 HD12 LEU A 94 3.379 5.814 17.007 1.00 0.00 H new ATOM 0 HD13 LEU A 94 2.158 6.283 15.801 1.00 0.00 H new ATOM 0 HD21 LEU A 94 3.344 9.135 15.338 1.00 0.00 H new ATOM 0 HD22 LEU A 94 1.601 8.864 15.573 1.00 0.00 H new ATOM 0 HD23 LEU A 94 2.478 9.987 16.639 1.00 0.00 H new ATOM 1450 N SER A 95 -1.010 8.341 18.711 1.00 0.00 N ATOM 1451 CA SER A 95 -2.184 8.714 19.482 1.00 0.00 C ATOM 1452 C SER A 95 -2.800 9.993 18.912 1.00 0.00 C ATOM 1453 O SER A 95 -3.220 10.872 19.664 1.00 0.00 O ATOM 1454 CB SER A 95 -1.835 8.904 20.959 1.00 0.00 C ATOM 1455 OG SER A 95 -2.090 7.730 21.724 1.00 0.00 O ATOM 0 H SER A 95 -0.499 9.125 18.306 1.00 0.00 H new ATOM 0 HA SER A 95 -2.912 7.906 19.410 1.00 0.00 H new ATOM 0 HB2 SER A 95 -0.783 9.175 21.051 1.00 0.00 H new ATOM 0 HB3 SER A 95 -2.414 9.734 21.364 1.00 0.00 H new ATOM 0 HG SER A 95 -1.959 6.938 21.161 1.00 0.00 H new ATOM 1461 N GLN A 96 -2.834 10.058 17.589 1.00 0.00 N ATOM 1462 CA GLN A 96 -3.391 11.215 16.911 1.00 0.00 C ATOM 1463 C GLN A 96 -4.257 10.772 15.730 1.00 0.00 C ATOM 1464 O GLN A 96 -4.329 9.584 15.419 1.00 0.00 O ATOM 1465 CB GLN A 96 -2.285 12.168 16.452 1.00 0.00 C ATOM 1466 CG GLN A 96 -2.358 13.497 17.207 1.00 0.00 C ATOM 1467 CD GLN A 96 -1.244 14.444 16.758 1.00 0.00 C ATOM 1468 OE1 GLN A 96 -0.124 14.401 17.241 1.00 0.00 O ATOM 1469 NE2 GLN A 96 -1.612 15.301 15.809 1.00 0.00 N ATOM 0 H GLN A 96 -2.485 9.328 16.969 1.00 0.00 H new ATOM 0 HA GLN A 96 -4.021 11.756 17.617 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -1.311 11.706 16.615 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -2.377 12.349 15.381 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -3.328 13.964 17.036 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -2.276 13.316 18.279 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -2.566 15.284 15.448 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -0.940 15.975 15.442 1.00 0.00 H new ATOM 1478 N ARG A 97 -4.893 11.751 15.103 1.00 0.00 N ATOM 1479 CA ARG A 97 -5.751 11.477 13.963 1.00 0.00 C ATOM 1480 C ARG A 97 -5.664 12.618 12.947 1.00 0.00 C ATOM 1481 O ARG A 97 -6.146 13.720 13.203 1.00 0.00 O ATOM 1482 CB ARG A 97 -7.207 11.301 14.399 1.00 0.00 C ATOM 1483 CG ARG A 97 -7.514 12.145 15.638 1.00 0.00 C ATOM 1484 CD ARG A 97 -8.875 12.831 15.511 1.00 0.00 C ATOM 1485 NE ARG A 97 -8.748 14.270 15.832 1.00 0.00 N ATOM 1486 CZ ARG A 97 -9.764 15.040 16.244 1.00 0.00 C ATOM 1487 NH1 ARG A 97 -10.988 14.514 16.387 1.00 0.00 N ATOM 1488 NH2 ARG A 97 -9.556 16.337 16.513 1.00 0.00 N ATOM 0 H ARG A 97 -4.831 12.735 15.363 1.00 0.00 H new ATOM 0 HA ARG A 97 -5.407 10.550 13.504 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -7.872 11.589 13.585 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -7.402 10.250 14.613 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -7.503 11.512 16.525 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -6.736 12.896 15.773 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -9.260 12.708 14.499 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -9.592 12.362 16.184 1.00 0.00 H new ATOM 0 HE ARG A 97 -7.830 14.703 15.733 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -11.146 13.527 16.182 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -11.762 15.100 16.701 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -8.624 16.737 16.404 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -10.330 16.923 16.827 1.00 0.00 H new ATOM 1502 N TYR A 98 -5.046 12.314 11.815 1.00 0.00 N ATOM 1503 CA TYR A 98 -4.890 13.300 10.759 1.00 0.00 C ATOM 1504 C TYR A 98 -6.146 13.374 9.888 1.00 0.00 C ATOM 1505 O TYR A 98 -6.593 12.363 9.350 1.00 0.00 O ATOM 1506 CB TYR A 98 -3.717 12.818 9.902 1.00 0.00 C ATOM 1507 CG TYR A 98 -2.356 12.924 10.593 1.00 0.00 C ATOM 1508 CD1 TYR A 98 -1.608 14.077 10.471 1.00 0.00 C ATOM 1509 CD2 TYR A 98 -1.877 11.867 11.340 1.00 0.00 C ATOM 1510 CE1 TYR A 98 -0.328 14.177 11.121 1.00 0.00 C ATOM 1511 CE2 TYR A 98 -0.596 11.967 11.990 1.00 0.00 C ATOM 1512 CZ TYR A 98 0.115 13.117 11.849 1.00 0.00 C ATOM 1513 OH TYR A 98 1.325 13.211 12.463 1.00 0.00 O ATOM 0 H TYR A 98 -4.647 11.399 11.606 1.00 0.00 H new ATOM 0 HA TYR A 98 -4.720 14.291 11.181 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -3.890 11.779 9.619 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -3.691 13.399 8.980 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -1.983 14.905 9.887 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -2.463 10.965 11.437 1.00 0.00 H new ATOM 0 HE1 TYR A 98 0.267 15.074 11.033 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -0.209 11.147 12.576 1.00 0.00 H new ATOM 0 HH TYR A 98 1.511 12.380 12.948 1.00 0.00 H new ATOM 1523 N PHE A 99 -6.679 14.582 9.777 1.00 0.00 N ATOM 1524 CA PHE A 99 -7.875 14.801 8.981 1.00 0.00 C ATOM 1525 C PHE A 99 -7.516 15.288 7.576 1.00 0.00 C ATOM 1526 O PHE A 99 -7.016 16.399 7.408 1.00 0.00 O ATOM 1527 CB PHE A 99 -8.691 15.884 9.690 1.00 0.00 C ATOM 1528 CG PHE A 99 -9.421 15.394 10.942 1.00 0.00 C ATOM 1529 CD1 PHE A 99 -10.039 14.182 10.938 1.00 0.00 C ATOM 1530 CD2 PHE A 99 -9.452 16.170 12.058 1.00 0.00 C ATOM 1531 CE1 PHE A 99 -10.716 13.727 12.100 1.00 0.00 C ATOM 1532 CE2 PHE A 99 -10.129 15.715 13.220 1.00 0.00 C ATOM 1533 CZ PHE A 99 -10.747 14.503 13.217 1.00 0.00 C ATOM 0 H PHE A 99 -6.305 15.419 10.225 1.00 0.00 H new ATOM 0 HA PHE A 99 -8.433 13.870 8.882 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -8.026 16.703 9.966 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -9.422 16.289 8.991 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -10.015 13.566 10.051 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -8.962 17.132 12.061 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -11.206 12.765 12.097 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -10.153 16.331 14.107 1.00 0.00 H new ATOM 0 HZ PHE A 99 -11.262 14.157 14.101 1.00 0.00 H new ATOM 1543 N LEU A 100 -7.784 14.431 6.601 1.00 0.00 N ATOM 1544 CA LEU A 100 -7.496 14.759 5.216 1.00 0.00 C ATOM 1545 C LEU A 100 -8.783 14.660 4.394 1.00 0.00 C ATOM 1546 O LEU A 100 -9.688 13.903 4.741 1.00 0.00 O ATOM 1547 CB LEU A 100 -6.357 13.886 4.684 1.00 0.00 C ATOM 1548 CG LEU A 100 -5.100 13.821 5.553 1.00 0.00 C ATOM 1549 CD1 LEU A 100 -5.265 12.799 6.680 1.00 0.00 C ATOM 1550 CD2 LEU A 100 -3.859 13.541 4.703 1.00 0.00 C ATOM 0 H LEU A 100 -8.198 13.510 6.744 1.00 0.00 H new ATOM 0 HA LEU A 100 -7.144 15.787 5.134 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -6.735 12.872 4.550 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -6.074 14.254 3.698 1.00 0.00 H new ATOM 0 HG LEU A 100 -4.957 14.796 6.020 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -4.357 12.772 7.283 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -6.110 13.083 7.308 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -5.446 11.813 6.253 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -2.980 13.500 5.346 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -3.978 12.587 4.189 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -3.734 14.336 3.968 1.00 0.00 H new ATOM 1562 N GLN A 101 -8.822 15.434 3.320 1.00 0.00 N ATOM 1563 CA GLN A 101 -9.983 15.443 2.446 1.00 0.00 C ATOM 1564 C GLN A 101 -9.574 15.085 1.016 1.00 0.00 C ATOM 1565 O GLN A 101 -8.581 15.601 0.503 1.00 0.00 O ATOM 1566 CB GLN A 101 -10.693 16.797 2.490 1.00 0.00 C ATOM 1567 CG GLN A 101 -12.117 16.653 3.033 1.00 0.00 C ATOM 1568 CD GLN A 101 -13.061 17.658 2.370 1.00 0.00 C ATOM 1569 OE1 GLN A 101 -13.081 18.835 2.691 1.00 0.00 O ATOM 1570 NE2 GLN A 101 -13.839 17.130 1.430 1.00 0.00 N ATOM 0 H GLN A 101 -8.068 16.060 3.035 1.00 0.00 H new ATOM 0 HA GLN A 101 -10.686 14.690 2.802 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -10.129 17.487 3.117 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -10.724 17.228 1.489 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -12.477 15.639 2.856 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -12.116 16.807 4.112 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -13.771 16.136 1.211 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -14.504 17.719 0.928 1.00 0.00 H new ATOM 1579 N ALA A 102 -10.359 14.205 0.412 1.00 0.00 N ATOM 1580 CA ALA A 102 -10.090 13.772 -0.949 1.00 0.00 C ATOM 1581 C ALA A 102 -10.941 14.595 -1.918 1.00 0.00 C ATOM 1582 O ALA A 102 -11.637 15.522 -1.506 1.00 0.00 O ATOM 1583 CB ALA A 102 -10.356 12.271 -1.069 1.00 0.00 C ATOM 0 H ALA A 102 -11.182 13.780 0.840 1.00 0.00 H new ATOM 0 HA ALA A 102 -9.044 13.939 -1.206 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -10.154 11.946 -2.090 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -9.706 11.730 -0.381 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -11.397 12.065 -0.822 1.00 0.00 H new ATOM 1589 N ASN A 103 -10.858 14.225 -3.188 1.00 0.00 N ATOM 1590 CA ASN A 103 -11.613 14.918 -4.219 1.00 0.00 C ATOM 1591 C ASN A 103 -12.874 14.116 -4.547 1.00 0.00 C ATOM 1592 O ASN A 103 -13.979 14.656 -4.531 1.00 0.00 O ATOM 1593 CB ASN A 103 -10.792 15.054 -5.504 1.00 0.00 C ATOM 1594 CG ASN A 103 -10.003 16.365 -5.513 1.00 0.00 C ATOM 1595 OD1 ASN A 103 -10.511 17.423 -5.846 1.00 0.00 O ATOM 1596 ND2 ASN A 103 -8.736 16.236 -5.130 1.00 0.00 N ATOM 0 H ASN A 103 -10.280 13.455 -3.526 1.00 0.00 H new ATOM 0 HA ASN A 103 -11.865 15.910 -3.844 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -10.106 14.212 -5.593 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -11.454 15.018 -6.369 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -8.126 17.053 -5.102 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -8.374 15.320 -4.864 1.00 0.00 H new ATOM 1603 N ASP A 104 -12.667 12.840 -4.837 1.00 0.00 N ATOM 1604 CA ASP A 104 -13.773 11.958 -5.169 1.00 0.00 C ATOM 1605 C ASP A 104 -13.860 10.841 -4.127 1.00 0.00 C ATOM 1606 O ASP A 104 -13.120 10.846 -3.143 1.00 0.00 O ATOM 1607 CB ASP A 104 -13.570 11.311 -6.540 1.00 0.00 C ATOM 1608 CG ASP A 104 -13.540 12.287 -7.718 1.00 0.00 C ATOM 1609 OD1 ASP A 104 -12.463 12.882 -7.935 1.00 0.00 O ATOM 1610 OD2 ASP A 104 -14.596 12.417 -8.375 1.00 0.00 O ATOM 0 H ASP A 104 -11.749 12.395 -4.849 1.00 0.00 H new ATOM 0 HA ASP A 104 -14.686 12.554 -5.183 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -12.634 10.753 -6.526 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -14.369 10.589 -6.706 1.00 0.00 H new ATOM 1615 N GLN A 105 -14.768 9.910 -4.378 1.00 0.00 N ATOM 1616 CA GLN A 105 -14.961 8.789 -3.473 1.00 0.00 C ATOM 1617 C GLN A 105 -13.875 7.735 -3.697 1.00 0.00 C ATOM 1618 O GLN A 105 -13.569 6.954 -2.798 1.00 0.00 O ATOM 1619 CB GLN A 105 -16.356 8.184 -3.640 1.00 0.00 C ATOM 1620 CG GLN A 105 -16.393 6.743 -3.127 1.00 0.00 C ATOM 1621 CD GLN A 105 -17.791 6.141 -3.282 1.00 0.00 C ATOM 1622 OE1 GLN A 105 -18.799 6.767 -3.000 1.00 0.00 O ATOM 1623 NE2 GLN A 105 -17.795 4.895 -3.747 1.00 0.00 N ATOM 0 H GLN A 105 -15.379 9.908 -5.195 1.00 0.00 H new ATOM 0 HA GLN A 105 -14.880 9.154 -2.449 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -17.085 8.786 -3.097 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -16.643 8.207 -4.691 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -15.670 6.139 -3.676 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -16.097 6.719 -2.078 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -16.914 4.429 -3.963 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -18.679 4.406 -3.887 1.00 0.00 H new ATOM 1632 N LYS A 106 -13.323 7.746 -4.902 1.00 0.00 N ATOM 1633 CA LYS A 106 -12.278 6.800 -5.255 1.00 0.00 C ATOM 1634 C LYS A 106 -10.971 7.215 -4.577 1.00 0.00 C ATOM 1635 O LYS A 106 -10.448 6.489 -3.732 1.00 0.00 O ATOM 1636 CB LYS A 106 -12.168 6.667 -6.775 1.00 0.00 C ATOM 1637 CG LYS A 106 -10.978 5.786 -7.163 1.00 0.00 C ATOM 1638 CD LYS A 106 -11.394 4.317 -7.263 1.00 0.00 C ATOM 1639 CE LYS A 106 -10.742 3.643 -8.472 1.00 0.00 C ATOM 1640 NZ LYS A 106 -11.731 2.819 -9.202 1.00 0.00 N ATOM 0 H LYS A 106 -13.580 8.395 -5.646 1.00 0.00 H new ATOM 0 HA LYS A 106 -12.525 5.804 -4.888 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -13.088 6.239 -7.174 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -12.056 7.654 -7.223 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -10.571 6.118 -8.118 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -10.185 5.894 -6.423 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -11.108 3.792 -6.352 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -12.479 4.247 -7.345 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -10.328 4.400 -9.138 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -9.911 3.019 -8.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -11.272 2.369 -10.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -12.107 2.085 -8.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -12.510 3.423 -9.532 1.00 0.00 H new ATOM 1654 N ASP A 107 -10.480 8.380 -4.973 1.00 0.00 N ATOM 1655 CA ASP A 107 -9.243 8.900 -4.414 1.00 0.00 C ATOM 1656 C ASP A 107 -9.251 8.702 -2.897 1.00 0.00 C ATOM 1657 O ASP A 107 -8.218 8.398 -2.302 1.00 0.00 O ATOM 1658 CB ASP A 107 -9.099 10.397 -4.694 1.00 0.00 C ATOM 1659 CG ASP A 107 -7.679 10.858 -5.030 1.00 0.00 C ATOM 1660 OD1 ASP A 107 -7.011 10.128 -5.794 1.00 0.00 O ATOM 1661 OD2 ASP A 107 -7.294 11.930 -4.515 1.00 0.00 O ATOM 0 H ASP A 107 -10.916 8.979 -5.674 1.00 0.00 H new ATOM 0 HA ASP A 107 -8.413 8.365 -4.876 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -9.756 10.661 -5.522 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -9.448 10.950 -3.822 1.00 0.00 H new ATOM 1666 N LEU A 108 -10.428 8.881 -2.315 1.00 0.00 N ATOM 1667 CA LEU A 108 -10.583 8.726 -0.878 1.00 0.00 C ATOM 1668 C LEU A 108 -10.300 7.273 -0.494 1.00 0.00 C ATOM 1669 O LEU A 108 -9.279 6.979 0.127 1.00 0.00 O ATOM 1670 CB LEU A 108 -11.960 9.223 -0.432 1.00 0.00 C ATOM 1671 CG LEU A 108 -12.398 8.809 0.974 1.00 0.00 C ATOM 1672 CD1 LEU A 108 -13.002 7.403 0.968 1.00 0.00 C ATOM 1673 CD2 LEU A 108 -11.242 8.932 1.968 1.00 0.00 C ATOM 0 H LEU A 108 -11.283 9.132 -2.812 1.00 0.00 H new ATOM 0 HA LEU A 108 -9.859 9.344 -0.347 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -11.967 10.312 -0.488 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -12.703 8.862 -1.144 1.00 0.00 H new ATOM 0 HG LEU A 108 -13.179 9.494 1.304 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -13.305 7.133 1.980 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -13.872 7.383 0.311 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -12.260 6.690 0.609 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -11.581 8.632 2.959 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -10.422 8.286 1.654 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -10.898 9.966 2.000 1.00 0.00 H new ATOM 1685 N LYS A 109 -11.221 6.402 -0.877 1.00 0.00 N ATOM 1686 CA LYS A 109 -11.083 4.986 -0.580 1.00 0.00 C ATOM 1687 C LYS A 109 -9.660 4.536 -0.915 1.00 0.00 C ATOM 1688 O LYS A 109 -8.946 4.029 -0.051 1.00 0.00 O ATOM 1689 CB LYS A 109 -12.168 4.180 -1.297 1.00 0.00 C ATOM 1690 CG LYS A 109 -13.339 3.881 -0.358 1.00 0.00 C ATOM 1691 CD LYS A 109 -13.531 2.373 -0.183 1.00 0.00 C ATOM 1692 CE LYS A 109 -14.385 1.795 -1.313 1.00 0.00 C ATOM 1693 NZ LYS A 109 -15.215 0.675 -0.814 1.00 0.00 N ATOM 0 H LYS A 109 -12.067 6.649 -1.391 1.00 0.00 H new ATOM 0 HA LYS A 109 -11.234 4.803 0.484 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -12.525 4.735 -2.164 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -11.747 3.246 -1.668 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -13.159 4.343 0.613 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -14.252 4.323 -0.757 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -12.560 1.878 -0.167 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -14.007 2.172 0.777 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -15.025 2.573 -1.728 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -13.742 1.447 -2.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -15.789 0.294 -1.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -14.598 -0.074 -0.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -15.842 1.017 -0.058 1.00 0.00 H new ATOM 1707 N ASP A 110 -9.290 4.736 -2.172 1.00 0.00 N ATOM 1708 CA ASP A 110 -7.965 4.357 -2.631 1.00 0.00 C ATOM 1709 C ASP A 110 -6.931 4.754 -1.576 1.00 0.00 C ATOM 1710 O ASP A 110 -6.277 3.894 -0.988 1.00 0.00 O ATOM 1711 CB ASP A 110 -7.609 5.073 -3.936 1.00 0.00 C ATOM 1712 CG ASP A 110 -7.736 4.218 -5.198 1.00 0.00 C ATOM 1713 OD1 ASP A 110 -7.946 2.997 -5.038 1.00 0.00 O ATOM 1714 OD2 ASP A 110 -7.620 4.806 -6.295 1.00 0.00 O ATOM 0 H ASP A 110 -9.885 5.156 -2.886 1.00 0.00 H new ATOM 0 HA ASP A 110 -7.961 3.280 -2.798 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -8.253 5.946 -4.041 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -6.585 5.439 -3.865 1.00 0.00 H new ATOM 1719 N TRP A 111 -6.815 6.058 -1.368 1.00 0.00 N ATOM 1720 CA TRP A 111 -5.872 6.579 -0.394 1.00 0.00 C ATOM 1721 C TRP A 111 -5.968 5.717 0.866 1.00 0.00 C ATOM 1722 O TRP A 111 -4.994 5.080 1.263 1.00 0.00 O ATOM 1723 CB TRP A 111 -6.126 8.063 -0.124 1.00 0.00 C ATOM 1724 CG TRP A 111 -5.265 9.006 -0.967 1.00 0.00 C ATOM 1725 CD1 TRP A 111 -5.665 9.859 -1.920 1.00 0.00 C ATOM 1726 CD2 TRP A 111 -3.831 9.157 -0.893 1.00 0.00 C ATOM 1727 NE1 TRP A 111 -4.599 10.546 -2.464 1.00 0.00 N ATOM 1728 CE2 TRP A 111 -3.449 10.106 -1.820 1.00 0.00 C ATOM 1729 CE3 TRP A 111 -2.890 8.514 -0.071 1.00 0.00 C ATOM 1730 CZ2 TRP A 111 -2.118 10.496 -2.012 1.00 0.00 C ATOM 1731 CZ3 TRP A 111 -1.564 8.915 -0.276 1.00 0.00 C ATOM 1732 CH2 TRP A 111 -1.162 9.869 -1.204 1.00 0.00 C ATOM 0 H TRP A 111 -7.359 6.769 -1.858 1.00 0.00 H new ATOM 0 HA TRP A 111 -4.853 6.523 -0.777 1.00 0.00 H new ATOM 0 HB2 TRP A 111 -7.177 8.281 -0.313 1.00 0.00 H new ATOM 0 HB3 TRP A 111 -5.943 8.266 0.931 1.00 0.00 H new ATOM 0 HD1 TRP A 111 -6.693 9.992 -2.224 1.00 0.00 H new ATOM 0 HE1 TRP A 111 -4.646 11.248 -3.203 1.00 0.00 H new ATOM 0 HE3 TRP A 111 -3.167 7.770 0.661 1.00 0.00 H new ATOM 0 HZ2 TRP A 111 -1.844 11.241 -2.744 1.00 0.00 H new ATOM 0 HZ3 TRP A 111 -0.800 8.450 0.329 1.00 0.00 H new ATOM 0 HH2 TRP A 111 -0.117 10.125 -1.301 1.00 0.00 H new ATOM 1743 N VAL A 112 -7.152 5.725 1.461 1.00 0.00 N ATOM 1744 CA VAL A 112 -7.389 4.951 2.668 1.00 0.00 C ATOM 1745 C VAL A 112 -6.768 3.562 2.508 1.00 0.00 C ATOM 1746 O VAL A 112 -5.814 3.221 3.206 1.00 0.00 O ATOM 1747 CB VAL A 112 -8.887 4.905 2.974 1.00 0.00 C ATOM 1748 CG1 VAL A 112 -9.167 4.049 4.211 1.00 0.00 C ATOM 1749 CG2 VAL A 112 -9.457 6.315 3.142 1.00 0.00 C ATOM 0 H VAL A 112 -7.958 6.255 1.130 1.00 0.00 H new ATOM 0 HA VAL A 112 -6.910 5.424 3.525 1.00 0.00 H new ATOM 0 HB VAL A 112 -9.388 4.441 2.125 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -10.239 4.033 4.407 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -8.814 3.032 4.037 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -8.647 4.471 5.071 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -10.523 6.253 3.359 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -8.948 6.818 3.965 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -9.306 6.880 2.222 1.00 0.00 H new ATOM 1759 N GLU A 113 -7.334 2.798 1.586 1.00 0.00 N ATOM 1760 CA GLU A 113 -6.848 1.454 1.326 1.00 0.00 C ATOM 1761 C GLU A 113 -5.323 1.457 1.196 1.00 0.00 C ATOM 1762 O GLU A 113 -4.640 0.668 1.847 1.00 0.00 O ATOM 1763 CB GLU A 113 -7.503 0.866 0.075 1.00 0.00 C ATOM 1764 CG GLU A 113 -9.017 1.087 0.094 1.00 0.00 C ATOM 1765 CD GLU A 113 -9.760 -0.169 -0.366 1.00 0.00 C ATOM 1766 OE1 GLU A 113 -9.883 -1.093 0.468 1.00 0.00 O ATOM 1767 OE2 GLU A 113 -10.189 -0.177 -1.540 1.00 0.00 O ATOM 0 H GLU A 113 -8.125 3.084 1.009 1.00 0.00 H new ATOM 0 HA GLU A 113 -7.121 0.821 2.170 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -7.076 1.328 -0.815 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -7.288 -0.201 0.015 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -9.336 1.355 1.101 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -9.274 1.924 -0.555 1.00 0.00 H new ATOM 1774 N ALA A 114 -4.835 2.353 0.351 1.00 0.00 N ATOM 1775 CA ALA A 114 -3.404 2.469 0.128 1.00 0.00 C ATOM 1776 C ALA A 114 -2.700 2.697 1.467 1.00 0.00 C ATOM 1777 O ALA A 114 -1.667 2.088 1.740 1.00 0.00 O ATOM 1778 CB ALA A 114 -3.133 3.595 -0.872 1.00 0.00 C ATOM 0 H ALA A 114 -5.405 3.005 -0.187 1.00 0.00 H new ATOM 0 HA ALA A 114 -3.007 1.549 -0.301 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -2.059 3.682 -1.040 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -3.630 3.371 -1.816 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -3.516 4.535 -0.474 1.00 0.00 H new ATOM 1784 N LEU A 115 -3.287 3.576 2.266 1.00 0.00 N ATOM 1785 CA LEU A 115 -2.728 3.891 3.570 1.00 0.00 C ATOM 1786 C LEU A 115 -2.943 2.705 4.512 1.00 0.00 C ATOM 1787 O LEU A 115 -2.272 2.594 5.538 1.00 0.00 O ATOM 1788 CB LEU A 115 -3.306 5.207 4.096 1.00 0.00 C ATOM 1789 CG LEU A 115 -2.739 6.485 3.473 1.00 0.00 C ATOM 1790 CD1 LEU A 115 -3.760 7.623 3.533 1.00 0.00 C ATOM 1791 CD2 LEU A 115 -1.411 6.871 4.127 1.00 0.00 C ATOM 0 H LEU A 115 -4.144 4.080 2.036 1.00 0.00 H new ATOM 0 HA LEU A 115 -1.652 4.049 3.496 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -4.384 5.196 3.937 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -3.143 5.248 5.173 1.00 0.00 H new ATOM 0 HG LEU A 115 -2.535 6.291 2.420 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -3.332 8.519 3.084 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -4.658 7.336 2.985 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -4.018 7.826 4.572 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -1.030 7.782 3.666 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -1.566 7.041 5.192 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -0.690 6.065 3.989 1.00 0.00 H new ATOM 1803 N ASN A 116 -3.879 1.849 4.131 1.00 0.00 N ATOM 1804 CA ASN A 116 -4.190 0.676 4.929 1.00 0.00 C ATOM 1805 C ASN A 116 -3.255 -0.468 4.533 1.00 0.00 C ATOM 1806 O ASN A 116 -3.134 -1.456 5.256 1.00 0.00 O ATOM 1807 CB ASN A 116 -5.629 0.213 4.692 1.00 0.00 C ATOM 1808 CG ASN A 116 -6.460 0.326 5.972 1.00 0.00 C ATOM 1809 OD1 ASN A 116 -6.398 -0.510 6.858 1.00 0.00 O ATOM 1810 ND2 ASN A 116 -7.238 1.403 6.019 1.00 0.00 N ATOM 0 H ASN A 116 -4.433 1.944 3.280 1.00 0.00 H new ATOM 0 HA ASN A 116 -4.065 0.941 5.979 1.00 0.00 H new ATOM 0 HB2 ASN A 116 -6.083 0.815 3.905 1.00 0.00 H new ATOM 0 HB3 ASN A 116 -5.630 -0.820 4.344 1.00 0.00 H new ATOM 0 HD21 ASN A 116 -7.831 1.569 6.832 1.00 0.00 H new ATOM 0 HD22 ASN A 116 -7.242 2.064 5.242 1.00 0.00 H new ATOM 1817 N GLN A 117 -2.616 -0.297 3.384 1.00 0.00 N ATOM 1818 CA GLN A 117 -1.695 -1.302 2.883 1.00 0.00 C ATOM 1819 C GLN A 117 -0.252 -0.907 3.202 1.00 0.00 C ATOM 1820 O GLN A 117 0.544 -1.742 3.627 1.00 0.00 O ATOM 1821 CB GLN A 117 -1.885 -1.519 1.380 1.00 0.00 C ATOM 1822 CG GLN A 117 -3.269 -2.096 1.079 1.00 0.00 C ATOM 1823 CD GLN A 117 -3.434 -2.374 -0.417 1.00 0.00 C ATOM 1824 OE1 GLN A 117 -4.001 -1.592 -1.161 1.00 0.00 O ATOM 1825 NE2 GLN A 117 -2.908 -3.530 -0.813 1.00 0.00 N ATOM 0 H GLN A 117 -2.719 0.523 2.786 1.00 0.00 H new ATOM 0 HA GLN A 117 -1.911 -2.246 3.383 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -1.760 -0.573 0.854 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -1.116 -2.196 1.007 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -3.413 -3.018 1.642 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -4.038 -1.398 1.410 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -2.446 -4.139 -0.137 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -2.966 -3.808 -1.793 1.00 0.00 H new ATOM 1834 N ALA A 118 0.041 0.367 2.985 1.00 0.00 N ATOM 1835 CA ALA A 118 1.374 0.883 3.245 1.00 0.00 C ATOM 1836 C ALA A 118 1.691 0.738 4.734 1.00 0.00 C ATOM 1837 O ALA A 118 2.843 0.528 5.110 1.00 0.00 O ATOM 1838 CB ALA A 118 1.461 2.334 2.768 1.00 0.00 C ATOM 0 H ALA A 118 -0.622 1.057 2.632 1.00 0.00 H new ATOM 0 HA ALA A 118 2.121 0.313 2.693 1.00 0.00 H new ATOM 0 HB1 ALA A 118 2.461 2.722 2.963 1.00 0.00 H new ATOM 0 HB2 ALA A 118 1.257 2.378 1.698 1.00 0.00 H new ATOM 0 HB3 ALA A 118 0.727 2.937 3.303 1.00 0.00 H new ATOM 1844 N SER A 119 0.648 0.856 5.543 1.00 0.00 N ATOM 1845 CA SER A 119 0.801 0.741 6.983 1.00 0.00 C ATOM 1846 C SER A 119 0.340 -0.641 7.450 1.00 0.00 C ATOM 1847 O SER A 119 0.415 -0.957 8.636 1.00 0.00 O ATOM 1848 CB SER A 119 0.016 1.836 7.710 1.00 0.00 C ATOM 1849 OG SER A 119 0.872 2.849 8.232 1.00 0.00 O ATOM 0 H SER A 119 -0.306 1.030 5.228 1.00 0.00 H new ATOM 0 HA SER A 119 1.856 0.866 7.225 1.00 0.00 H new ATOM 0 HB2 SER A 119 -0.701 2.286 7.023 1.00 0.00 H new ATOM 0 HB3 SER A 119 -0.558 1.392 8.523 1.00 0.00 H new ATOM 0 HG SER A 119 1.591 2.434 8.752 1.00 0.00 H new