USER MOD reduce.3.24.130724 H: found=0, std=0, add=854, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 856 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 74 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 88 GLN : amide:sc= -1.83 K(o=-1.8,f=-0.21) USER MOD Set 2.1: A 37 SER OG : rot -25:sc= 0.989 USER MOD Set 2.2: A 39 HIS : no HE2:sc= -1.95 K(o=-0.96,f=-6.1!) USER MOD Set 3.1: A 24 GLN : amide:sc= -3.29! C(o=-3.3!,f=-3!) USER MOD Set 3.2: A 50 ASN : amide:sc= 0 X(o=-3.3,f=-3) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 34 HIS : no HD1:sc= -0.0135 X(o=-0.014,f=0) USER MOD Single : A 45 GLN : amide:sc= 0.348 X(o=0.35,f=-0.023) USER MOD Single : A 47 GLN : amide:sc= -1.13 X(o=-1.1,f=-1.5) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 TYR OH : rot -161:sc= 1.24 USER MOD Single : A 71 MET CE :methyl -143:sc= -0.0604 (180deg=-0.553) USER MOD Single : A 87 CYS SG : rot 44:sc= -0.518 USER MOD Single : A 89 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 94 SER OG : rot 140:sc= -0.0446 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 HIS : no HD1:sc= -0.181 X(o=-0.18,f=0) USER MOD Single : A 105 ASN : amide:sc= 1.15 K(o=1.2,f=-0.0034) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 237 N ILE A 14 2.182 9.122 -16.183 1.00 0.00 N ATOM 238 CA ILE A 14 1.445 8.247 -15.297 1.00 0.00 C ATOM 239 C ILE A 14 1.298 6.878 -15.955 1.00 0.00 C ATOM 240 O ILE A 14 0.348 6.634 -16.695 1.00 0.00 O ATOM 241 CB ILE A 14 0.053 8.808 -14.941 1.00 0.00 C ATOM 242 CG1 ILE A 14 0.182 10.205 -14.329 1.00 0.00 C ATOM 243 CG2 ILE A 14 -0.671 7.872 -13.982 1.00 0.00 C ATOM 244 CD1 ILE A 14 0.994 10.245 -13.051 1.00 0.00 C ATOM 0 HA ILE A 14 2.006 8.165 -14.366 1.00 0.00 H new ATOM 0 HB ILE A 14 -0.533 8.883 -15.857 1.00 0.00 H new ATOM 0 HG12 ILE A 14 0.642 10.870 -15.060 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -0.815 10.595 -14.126 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -1.651 8.284 -13.742 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -0.793 6.895 -14.450 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -0.088 7.766 -13.067 1.00 0.00 H new ATOM 0 HD11 ILE A 14 1.039 11.269 -12.680 1.00 0.00 H new ATOM 0 HD12 ILE A 14 0.524 9.608 -12.302 1.00 0.00 H new ATOM 0 HD13 ILE A 14 2.004 9.887 -13.250 1.00 0.00 H new ATOM 256 N ALA A 15 2.296 6.033 -15.706 1.00 0.00 N ATOM 257 CA ALA A 15 2.372 4.657 -16.207 1.00 0.00 C ATOM 258 C ALA A 15 3.792 4.166 -15.999 1.00 0.00 C ATOM 259 O ALA A 15 4.687 4.469 -16.781 1.00 0.00 O ATOM 260 CB ALA A 15 1.994 4.542 -17.682 1.00 0.00 C ATOM 0 H ALA A 15 3.099 6.292 -15.133 1.00 0.00 H new ATOM 0 HA ALA A 15 1.654 4.049 -15.657 1.00 0.00 H new ATOM 0 HB1 ALA A 15 2.069 3.501 -17.997 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.971 4.891 -17.824 1.00 0.00 H new ATOM 0 HB3 ALA A 15 2.672 5.151 -18.280 1.00 0.00 H new ATOM 266 N PHE A 16 4.002 3.423 -14.929 1.00 0.00 N ATOM 267 CA PHE A 16 5.351 3.133 -14.467 1.00 0.00 C ATOM 268 C PHE A 16 5.957 1.932 -15.180 1.00 0.00 C ATOM 269 O PHE A 16 7.164 1.701 -15.085 1.00 0.00 O ATOM 270 CB PHE A 16 5.337 2.889 -12.959 1.00 0.00 C ATOM 271 CG PHE A 16 4.479 3.868 -12.210 1.00 0.00 C ATOM 272 CD1 PHE A 16 4.658 5.235 -12.367 1.00 0.00 C ATOM 273 CD2 PHE A 16 3.490 3.421 -11.348 1.00 0.00 C ATOM 274 CE1 PHE A 16 3.866 6.136 -11.681 1.00 0.00 C ATOM 275 CE2 PHE A 16 2.698 4.316 -10.660 1.00 0.00 C ATOM 276 CZ PHE A 16 2.886 5.677 -10.825 1.00 0.00 C ATOM 0 H PHE A 16 3.261 3.009 -14.364 1.00 0.00 H new ATOM 0 HA PHE A 16 5.972 3.998 -14.699 1.00 0.00 H new ATOM 0 HB2 PHE A 16 4.979 1.878 -12.764 1.00 0.00 H new ATOM 0 HB3 PHE A 16 6.357 2.944 -12.579 1.00 0.00 H new ATOM 0 HD1 PHE A 16 5.426 5.599 -13.034 1.00 0.00 H new ATOM 0 HD2 PHE A 16 3.338 2.360 -11.214 1.00 0.00 H new ATOM 0 HE1 PHE A 16 4.014 7.197 -11.815 1.00 0.00 H new ATOM 0 HE2 PHE A 16 1.930 3.954 -9.992 1.00 0.00 H new ATOM 0 HZ PHE A 16 2.267 6.378 -10.285 1.00 0.00 H new ATOM 286 N ASP A 17 5.116 1.165 -15.883 1.00 0.00 N ATOM 287 CA ASP A 17 5.560 -0.064 -16.554 1.00 0.00 C ATOM 288 C ASP A 17 6.080 -1.065 -15.511 1.00 0.00 C ATOM 289 O ASP A 17 6.769 -2.039 -15.820 1.00 0.00 O ATOM 290 CB ASP A 17 6.629 0.277 -17.612 1.00 0.00 C ATOM 291 CG ASP A 17 7.176 -0.930 -18.350 1.00 0.00 C ATOM 292 OD1 ASP A 17 6.407 -1.601 -19.069 1.00 0.00 O ATOM 293 OD2 ASP A 17 8.393 -1.197 -18.228 1.00 0.00 O ATOM 0 H ASP A 17 4.125 1.373 -16.003 1.00 0.00 H new ATOM 0 HA ASP A 17 4.722 -0.531 -17.071 1.00 0.00 H new ATOM 0 HB2 ASP A 17 6.200 0.969 -18.337 1.00 0.00 H new ATOM 0 HB3 ASP A 17 7.454 0.797 -17.125 1.00 0.00 H new ATOM 298 N ALA A 18 5.707 -0.817 -14.261 1.00 0.00 N ATOM 299 CA ALA A 18 6.115 -1.650 -13.145 1.00 0.00 C ATOM 300 C ALA A 18 5.340 -2.956 -13.135 1.00 0.00 C ATOM 301 O ALA A 18 4.237 -3.033 -13.679 1.00 0.00 O ATOM 302 CB ALA A 18 5.902 -0.902 -11.837 1.00 0.00 C ATOM 0 H ALA A 18 5.113 -0.031 -13.996 1.00 0.00 H new ATOM 0 HA ALA A 18 7.174 -1.884 -13.255 1.00 0.00 H new ATOM 0 HB1 ALA A 18 6.210 -1.533 -11.003 1.00 0.00 H new ATOM 0 HB2 ALA A 18 6.496 0.012 -11.840 1.00 0.00 H new ATOM 0 HB3 ALA A 18 4.847 -0.649 -11.730 1.00 0.00 H new ATOM 308 N ASP A 19 5.918 -3.976 -12.518 1.00 0.00 N ATOM 309 CA ASP A 19 5.256 -5.266 -12.397 1.00 0.00 C ATOM 310 C ASP A 19 4.087 -5.142 -11.434 1.00 0.00 C ATOM 311 O ASP A 19 4.276 -4.792 -10.268 1.00 0.00 O ATOM 312 CB ASP A 19 6.237 -6.327 -11.893 1.00 0.00 C ATOM 313 CG ASP A 19 5.672 -7.730 -11.974 1.00 0.00 C ATOM 314 OD1 ASP A 19 6.027 -8.459 -12.926 1.00 0.00 O ATOM 315 OD2 ASP A 19 4.881 -8.116 -11.093 1.00 0.00 O ATOM 0 H ASP A 19 6.844 -3.935 -12.093 1.00 0.00 H new ATOM 0 HA ASP A 19 4.892 -5.572 -13.378 1.00 0.00 H new ATOM 0 HB2 ASP A 19 7.155 -6.275 -12.479 1.00 0.00 H new ATOM 0 HB3 ASP A 19 6.505 -6.107 -10.860 1.00 0.00 H new ATOM 320 N SER A 20 2.882 -5.387 -11.920 1.00 0.00 N ATOM 321 CA SER A 20 1.705 -5.231 -11.096 1.00 0.00 C ATOM 322 C SER A 20 0.988 -6.563 -10.915 1.00 0.00 C ATOM 323 O SER A 20 0.661 -7.250 -11.889 1.00 0.00 O ATOM 324 CB SER A 20 0.763 -4.197 -11.720 1.00 0.00 C ATOM 325 OG SER A 20 -0.288 -3.851 -10.833 1.00 0.00 O ATOM 0 H SER A 20 2.698 -5.693 -12.876 1.00 0.00 H new ATOM 0 HA SER A 20 2.016 -4.879 -10.112 1.00 0.00 H new ATOM 0 HB2 SER A 20 1.327 -3.302 -11.985 1.00 0.00 H new ATOM 0 HB3 SER A 20 0.344 -4.595 -12.644 1.00 0.00 H new ATOM 0 HG SER A 20 -0.871 -3.188 -11.259 1.00 0.00 H new ATOM 331 N GLU A 21 0.775 -6.937 -9.665 1.00 0.00 N ATOM 332 CA GLU A 21 -0.041 -8.094 -9.350 1.00 0.00 C ATOM 333 C GLU A 21 -1.216 -7.658 -8.492 1.00 0.00 C ATOM 334 O GLU A 21 -1.031 -7.018 -7.453 1.00 0.00 O ATOM 335 CB GLU A 21 0.750 -9.164 -8.588 1.00 0.00 C ATOM 336 CG GLU A 21 2.142 -9.440 -9.125 1.00 0.00 C ATOM 337 CD GLU A 21 2.813 -10.594 -8.403 1.00 0.00 C ATOM 338 OE1 GLU A 21 3.124 -10.456 -7.202 1.00 0.00 O ATOM 339 OE2 GLU A 21 3.034 -11.648 -9.032 1.00 0.00 O ATOM 0 H GLU A 21 1.157 -6.455 -8.852 1.00 0.00 H new ATOM 0 HA GLU A 21 -0.381 -8.525 -10.292 1.00 0.00 H new ATOM 0 HB2 GLU A 21 0.834 -8.858 -7.545 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.181 -10.094 -8.603 1.00 0.00 H new ATOM 0 HG2 GLU A 21 2.081 -9.665 -10.190 1.00 0.00 H new ATOM 0 HG3 GLU A 21 2.754 -8.544 -9.023 1.00 0.00 H new ATOM 346 N ILE A 22 -2.418 -7.978 -8.932 1.00 0.00 N ATOM 347 CA ILE A 22 -3.595 -7.773 -8.112 1.00 0.00 C ATOM 348 C ILE A 22 -4.017 -9.108 -7.533 1.00 0.00 C ATOM 349 O ILE A 22 -4.089 -10.103 -8.247 1.00 0.00 O ATOM 350 CB ILE A 22 -4.763 -7.134 -8.903 1.00 0.00 C ATOM 351 CG1 ILE A 22 -4.427 -5.684 -9.257 1.00 0.00 C ATOM 352 CG2 ILE A 22 -6.055 -7.192 -8.099 1.00 0.00 C ATOM 353 CD1 ILE A 22 -5.497 -4.990 -10.074 1.00 0.00 C ATOM 0 H ILE A 22 -2.604 -8.380 -9.851 1.00 0.00 H new ATOM 0 HA ILE A 22 -3.342 -7.073 -7.315 1.00 0.00 H new ATOM 0 HB ILE A 22 -4.906 -7.701 -9.823 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -4.265 -5.123 -8.336 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -3.489 -5.663 -9.812 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.862 -6.738 -8.674 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -6.303 -8.231 -7.884 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -5.926 -6.649 -7.163 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -5.187 -3.967 -10.285 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -5.644 -5.526 -11.012 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -6.432 -4.977 -9.514 1.00 0.00 H new ATOM 365 N LEU A 23 -4.248 -9.142 -6.239 1.00 0.00 N ATOM 366 CA LEU A 23 -4.594 -10.379 -5.576 1.00 0.00 C ATOM 367 C LEU A 23 -5.703 -10.159 -4.568 1.00 0.00 C ATOM 368 O LEU A 23 -6.091 -9.027 -4.292 1.00 0.00 O ATOM 369 CB LEU A 23 -3.365 -10.996 -4.885 1.00 0.00 C ATOM 370 CG LEU A 23 -2.686 -10.141 -3.804 1.00 0.00 C ATOM 371 CD1 LEU A 23 -1.865 -11.025 -2.880 1.00 0.00 C ATOM 372 CD2 LEU A 23 -1.786 -9.085 -4.431 1.00 0.00 C ATOM 0 H LEU A 23 -4.203 -8.328 -5.626 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.949 -11.075 -6.336 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.666 -11.941 -4.433 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.625 -11.230 -5.650 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.465 -9.639 -3.231 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.388 -10.410 -2.117 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.517 -11.756 -2.401 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.101 -11.545 -3.458 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.317 -8.493 -3.645 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.015 -9.572 -5.027 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.381 -8.433 -5.070 1.00 0.00 H new ATOM 384 N GLN A 24 -6.216 -11.256 -4.047 1.00 0.00 N ATOM 385 CA GLN A 24 -7.213 -11.221 -2.993 1.00 0.00 C ATOM 386 C GLN A 24 -6.719 -12.101 -1.845 1.00 0.00 C ATOM 387 O GLN A 24 -7.480 -12.819 -1.193 1.00 0.00 O ATOM 388 CB GLN A 24 -8.576 -11.684 -3.544 1.00 0.00 C ATOM 389 CG GLN A 24 -9.727 -11.592 -2.546 1.00 0.00 C ATOM 390 CD GLN A 24 -11.096 -11.636 -3.205 1.00 0.00 C ATOM 391 OE1 GLN A 24 -11.656 -12.710 -3.450 1.00 0.00 O ATOM 392 NE2 GLN A 24 -11.658 -10.469 -3.471 1.00 0.00 N ATOM 0 H GLN A 24 -5.954 -12.197 -4.342 1.00 0.00 H new ATOM 0 HA GLN A 24 -7.355 -10.207 -2.618 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -8.822 -11.084 -4.420 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -8.486 -12.717 -3.881 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -9.648 -12.413 -1.833 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -9.634 -10.666 -1.978 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -11.164 -9.604 -3.254 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -12.586 -10.434 -3.893 1.00 0.00 H new ATOM 401 N GLY A 25 -5.410 -12.038 -1.619 1.00 0.00 N ATOM 402 CA GLY A 25 -4.778 -12.816 -0.572 1.00 0.00 C ATOM 403 C GLY A 25 -4.500 -14.251 -0.982 1.00 0.00 C ATOM 404 O GLY A 25 -3.362 -14.712 -0.918 1.00 0.00 O ATOM 0 H GLY A 25 -4.768 -11.452 -2.153 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -3.841 -12.338 -0.287 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.418 -12.814 0.311 1.00 0.00 H new ATOM 408 N GLU A 26 -5.542 -14.949 -1.408 1.00 0.00 N ATOM 409 CA GLU A 26 -5.459 -16.375 -1.709 1.00 0.00 C ATOM 410 C GLU A 26 -4.925 -16.633 -3.116 1.00 0.00 C ATOM 411 O GLU A 26 -4.170 -17.581 -3.339 1.00 0.00 O ATOM 412 CB GLU A 26 -6.842 -17.002 -1.548 1.00 0.00 C ATOM 413 CG GLU A 26 -7.362 -16.924 -0.124 1.00 0.00 C ATOM 414 CD GLU A 26 -8.869 -16.865 -0.059 1.00 0.00 C ATOM 415 OE1 GLU A 26 -9.413 -15.749 0.063 1.00 0.00 O ATOM 416 OE2 GLU A 26 -9.520 -17.927 -0.140 1.00 0.00 O ATOM 0 H GLU A 26 -6.468 -14.547 -1.555 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.757 -16.830 -1.010 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -7.543 -16.499 -2.214 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -6.801 -18.046 -1.858 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -7.012 -17.792 0.435 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -6.946 -16.042 0.363 1.00 0.00 H new ATOM 423 N ARG A 27 -5.322 -15.796 -4.061 1.00 0.00 N ATOM 424 CA ARG A 27 -4.910 -15.964 -5.447 1.00 0.00 C ATOM 425 C ARG A 27 -4.449 -14.632 -6.017 1.00 0.00 C ATOM 426 O ARG A 27 -5.018 -13.587 -5.687 1.00 0.00 O ATOM 427 CB ARG A 27 -6.069 -16.523 -6.278 1.00 0.00 C ATOM 428 CG ARG A 27 -5.681 -16.924 -7.695 1.00 0.00 C ATOM 429 CD ARG A 27 -6.875 -17.469 -8.465 1.00 0.00 C ATOM 430 NE ARG A 27 -7.545 -18.547 -7.740 1.00 0.00 N ATOM 431 CZ ARG A 27 -8.790 -18.950 -7.976 1.00 0.00 C ATOM 432 NH1 ARG A 27 -9.502 -18.408 -8.964 1.00 0.00 N ATOM 433 NH2 ARG A 27 -9.319 -19.908 -7.231 1.00 0.00 N ATOM 0 H ARG A 27 -5.929 -14.993 -3.895 1.00 0.00 H new ATOM 0 HA ARG A 27 -4.080 -16.670 -5.486 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -6.483 -17.392 -5.766 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -6.860 -15.775 -6.327 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -5.271 -16.061 -8.220 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -4.895 -17.678 -7.659 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -7.584 -16.663 -8.654 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -6.544 -17.836 -9.436 1.00 0.00 H new ATOM 0 HE ARG A 27 -7.023 -19.022 -7.004 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -9.093 -17.678 -9.547 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -10.456 -18.724 -9.138 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -8.772 -20.332 -6.482 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -10.273 -20.222 -7.406 1.00 0.00 H new ATOM 447 N ARG A 28 -3.418 -14.673 -6.852 1.00 0.00 N ATOM 448 CA ARG A 28 -2.875 -13.467 -7.460 1.00 0.00 C ATOM 449 C ARG A 28 -2.981 -13.531 -8.981 1.00 0.00 C ATOM 450 O ARG A 28 -2.898 -14.610 -9.576 1.00 0.00 O ATOM 451 CB ARG A 28 -1.414 -13.266 -7.037 1.00 0.00 C ATOM 452 CG ARG A 28 -0.447 -14.276 -7.640 1.00 0.00 C ATOM 453 CD ARG A 28 0.909 -14.219 -6.961 1.00 0.00 C ATOM 454 NE ARG A 28 0.839 -14.732 -5.595 1.00 0.00 N ATOM 455 CZ ARG A 28 1.481 -14.206 -4.559 1.00 0.00 C ATOM 456 NH1 ARG A 28 2.274 -13.153 -4.717 1.00 0.00 N ATOM 457 NH2 ARG A 28 1.337 -14.755 -3.358 1.00 0.00 N ATOM 0 H ARG A 28 -2.940 -15.532 -7.124 1.00 0.00 H new ATOM 0 HA ARG A 28 -3.461 -12.617 -7.111 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -1.099 -12.262 -7.323 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -1.351 -13.323 -5.950 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -0.861 -15.280 -7.545 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -0.330 -14.079 -8.706 1.00 0.00 H new ATOM 0 HD2 ARG A 28 1.630 -14.802 -7.534 1.00 0.00 H new ATOM 0 HD3 ARG A 28 1.269 -13.190 -6.948 1.00 0.00 H new ATOM 0 HE ARG A 28 0.256 -15.552 -5.425 1.00 0.00 H new ATOM 0 HH11 ARG A 28 2.395 -12.740 -5.642 1.00 0.00 H new ATOM 0 HH12 ARG A 28 2.762 -12.757 -3.914 1.00 0.00 H new ATOM 0 HH21 ARG A 28 0.738 -15.572 -3.239 1.00 0.00 H new ATOM 0 HH22 ARG A 28 1.825 -14.360 -2.555 1.00 0.00 H new ATOM 471 N TRP A 29 -3.181 -12.375 -9.599 1.00 0.00 N ATOM 472 CA TRP A 29 -3.268 -12.273 -11.046 1.00 0.00 C ATOM 473 C TRP A 29 -2.322 -11.195 -11.556 1.00 0.00 C ATOM 474 O TRP A 29 -2.284 -10.085 -11.018 1.00 0.00 O ATOM 475 CB TRP A 29 -4.700 -11.931 -11.479 1.00 0.00 C ATOM 476 CG TRP A 29 -5.735 -12.870 -10.944 1.00 0.00 C ATOM 477 CD1 TRP A 29 -6.152 -14.042 -11.504 1.00 0.00 C ATOM 478 CD2 TRP A 29 -6.486 -12.712 -9.737 1.00 0.00 C ATOM 479 NE1 TRP A 29 -7.118 -14.623 -10.719 1.00 0.00 N ATOM 480 CE2 TRP A 29 -7.337 -13.825 -9.627 1.00 0.00 C ATOM 481 CE3 TRP A 29 -6.519 -11.736 -8.736 1.00 0.00 C ATOM 482 CZ2 TRP A 29 -8.205 -13.988 -8.559 1.00 0.00 C ATOM 483 CZ3 TRP A 29 -7.383 -11.902 -7.676 1.00 0.00 C ATOM 484 CH2 TRP A 29 -8.215 -13.020 -7.594 1.00 0.00 C ATOM 0 H TRP A 29 -3.287 -11.485 -9.112 1.00 0.00 H new ATOM 0 HA TRP A 29 -2.986 -13.237 -11.470 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -4.937 -10.919 -11.150 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -4.750 -11.932 -12.568 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -5.777 -14.453 -12.430 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -7.594 -15.503 -10.916 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -5.879 -10.868 -8.793 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -8.852 -14.850 -8.491 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -7.417 -11.156 -6.896 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -8.881 -13.122 -6.750 1.00 0.00 H new ATOM 495 N GLU A 30 -1.541 -11.536 -12.567 1.00 0.00 N ATOM 496 CA GLU A 30 -0.705 -10.563 -13.250 1.00 0.00 C ATOM 497 C GLU A 30 -1.586 -9.612 -14.050 1.00 0.00 C ATOM 498 O GLU A 30 -2.176 -9.997 -15.058 1.00 0.00 O ATOM 499 CB GLU A 30 0.291 -11.269 -14.173 1.00 0.00 C ATOM 500 CG GLU A 30 1.128 -10.318 -15.012 1.00 0.00 C ATOM 501 CD GLU A 30 2.072 -11.047 -15.944 1.00 0.00 C ATOM 502 OE1 GLU A 30 3.293 -11.043 -15.685 1.00 0.00 O ATOM 503 OE2 GLU A 30 1.598 -11.634 -16.941 1.00 0.00 O ATOM 0 H GLU A 30 -1.468 -12.485 -12.935 1.00 0.00 H new ATOM 0 HA GLU A 30 -0.141 -9.994 -12.511 1.00 0.00 H new ATOM 0 HB2 GLU A 30 0.955 -11.888 -13.570 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -0.255 -11.940 -14.836 1.00 0.00 H new ATOM 0 HG2 GLU A 30 0.468 -9.677 -15.597 1.00 0.00 H new ATOM 0 HG3 GLU A 30 1.703 -9.667 -14.353 1.00 0.00 H new ATOM 510 N VAL A 31 -1.692 -8.383 -13.582 1.00 0.00 N ATOM 511 CA VAL A 31 -2.532 -7.392 -14.229 1.00 0.00 C ATOM 512 C VAL A 31 -1.665 -6.392 -14.984 1.00 0.00 C ATOM 513 O VAL A 31 -0.505 -6.178 -14.631 1.00 0.00 O ATOM 514 CB VAL A 31 -3.420 -6.655 -13.200 1.00 0.00 C ATOM 515 CG1 VAL A 31 -2.581 -5.799 -12.266 1.00 0.00 C ATOM 516 CG2 VAL A 31 -4.480 -5.814 -13.892 1.00 0.00 C ATOM 0 H VAL A 31 -1.205 -8.045 -12.752 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.187 -7.906 -14.932 1.00 0.00 H new ATOM 0 HB VAL A 31 -3.927 -7.412 -12.602 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -3.232 -5.293 -11.553 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.876 -6.432 -11.727 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.032 -5.057 -12.847 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -5.089 -5.308 -13.143 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -3.998 -5.073 -14.529 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -5.115 -6.458 -14.501 1.00 0.00 H new ATOM 526 N LEU A 32 -2.206 -5.802 -16.035 1.00 0.00 N ATOM 527 CA LEU A 32 -1.466 -4.815 -16.800 1.00 0.00 C ATOM 528 C LEU A 32 -1.747 -3.413 -16.275 1.00 0.00 C ATOM 529 O LEU A 32 -2.878 -2.922 -16.356 1.00 0.00 O ATOM 530 CB LEU A 32 -1.815 -4.884 -18.293 1.00 0.00 C ATOM 531 CG LEU A 32 -1.322 -6.125 -19.044 1.00 0.00 C ATOM 532 CD1 LEU A 32 -2.145 -7.352 -18.682 1.00 0.00 C ATOM 533 CD2 LEU A 32 -1.370 -5.878 -20.540 1.00 0.00 C ATOM 0 H LEU A 32 -3.149 -5.988 -16.377 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.406 -5.040 -16.684 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -2.899 -4.830 -18.395 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.404 -4.001 -18.783 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.291 -6.317 -18.747 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -1.771 -8.216 -19.231 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -2.066 -7.540 -17.611 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.189 -7.180 -18.944 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.018 -6.765 -21.067 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.395 -5.661 -20.840 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.732 -5.031 -20.790 1.00 0.00 H new ATOM 545 N LEU A 33 -0.717 -2.783 -15.728 1.00 0.00 N ATOM 546 CA LEU A 33 -0.822 -1.422 -15.226 1.00 0.00 C ATOM 547 C LEU A 33 -1.026 -0.447 -16.385 1.00 0.00 C ATOM 548 O LEU A 33 -0.543 -0.682 -17.494 1.00 0.00 O ATOM 549 CB LEU A 33 0.445 -1.056 -14.442 1.00 0.00 C ATOM 550 CG LEU A 33 0.463 0.348 -13.835 1.00 0.00 C ATOM 551 CD1 LEU A 33 -0.618 0.493 -12.774 1.00 0.00 C ATOM 552 CD2 LEU A 33 1.835 0.654 -13.252 1.00 0.00 C ATOM 0 H LEU A 33 0.208 -3.198 -15.620 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.682 -1.355 -14.560 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.576 -1.781 -13.639 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.304 -1.157 -15.106 1.00 0.00 H new ATOM 0 HG LEU A 33 0.255 1.068 -14.627 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.586 1.499 -12.357 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -1.595 0.318 -13.224 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.449 -0.234 -11.980 1.00 0.00 H new ATOM 0 HD21 LEU A 33 1.833 1.656 -12.824 1.00 0.00 H new ATOM 0 HD22 LEU A 33 2.070 -0.073 -12.474 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.586 0.598 -14.040 1.00 0.00 H new ATOM 564 N HIS A 34 -1.755 0.629 -16.132 1.00 0.00 N ATOM 565 CA HIS A 34 -1.990 1.650 -17.138 1.00 0.00 C ATOM 566 C HIS A 34 -1.903 3.035 -16.513 1.00 0.00 C ATOM 567 O HIS A 34 -0.825 3.612 -16.428 1.00 0.00 O ATOM 568 CB HIS A 34 -3.351 1.466 -17.826 1.00 0.00 C ATOM 569 CG HIS A 34 -3.412 0.309 -18.778 1.00 0.00 C ATOM 570 ND1 HIS A 34 -3.025 0.400 -20.100 1.00 0.00 N ATOM 571 CD2 HIS A 34 -3.834 -0.968 -18.602 1.00 0.00 C ATOM 572 CE1 HIS A 34 -3.209 -0.769 -20.693 1.00 0.00 C ATOM 573 NE2 HIS A 34 -3.697 -1.613 -19.808 1.00 0.00 N ATOM 0 H HIS A 34 -2.196 0.817 -15.232 1.00 0.00 H new ATOM 0 HA HIS A 34 -1.216 1.549 -17.899 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -4.116 1.332 -17.061 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -3.597 2.380 -18.367 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -4.208 -1.398 -17.685 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -2.995 -0.993 -21.728 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -3.935 -2.588 -19.988 1.00 0.00 H new ATOM 582 N ASP A 35 -3.031 3.535 -16.025 1.00 0.00 N ATOM 583 CA ASP A 35 -3.104 4.898 -15.513 1.00 0.00 C ATOM 584 C ASP A 35 -3.679 4.879 -14.096 1.00 0.00 C ATOM 585 O ASP A 35 -4.593 4.104 -13.802 1.00 0.00 O ATOM 586 CB ASP A 35 -3.961 5.761 -16.455 1.00 0.00 C ATOM 587 CG ASP A 35 -3.494 5.687 -17.911 1.00 0.00 C ATOM 588 OD1 ASP A 35 -3.799 4.669 -18.587 1.00 0.00 O ATOM 589 OD2 ASP A 35 -2.827 6.638 -18.388 1.00 0.00 O ATOM 0 H ASP A 35 -3.908 3.017 -15.973 1.00 0.00 H new ATOM 0 HA ASP A 35 -2.106 5.335 -15.471 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -5.000 5.437 -16.394 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -3.930 6.798 -16.120 1.00 0.00 H new ATOM 594 N VAL A 36 -3.135 5.715 -13.216 1.00 0.00 N ATOM 595 CA VAL A 36 -3.471 5.659 -11.792 1.00 0.00 C ATOM 596 C VAL A 36 -3.567 7.066 -11.188 1.00 0.00 C ATOM 597 O VAL A 36 -3.044 8.024 -11.754 1.00 0.00 O ATOM 598 CB VAL A 36 -2.410 4.824 -11.022 1.00 0.00 C ATOM 599 CG1 VAL A 36 -1.046 5.499 -11.065 1.00 0.00 C ATOM 600 CG2 VAL A 36 -2.835 4.561 -9.583 1.00 0.00 C ATOM 0 H VAL A 36 -2.460 6.439 -13.461 1.00 0.00 H new ATOM 0 HA VAL A 36 -4.445 5.180 -11.696 1.00 0.00 H new ATOM 0 HB VAL A 36 -2.332 3.860 -11.524 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.323 4.893 -10.519 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -0.724 5.602 -12.101 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.114 6.485 -10.606 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.067 3.975 -9.078 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -2.967 5.510 -9.063 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -3.775 4.010 -9.576 1.00 0.00 H new ATOM 610 N SER A 37 -4.252 7.186 -10.051 1.00 0.00 N ATOM 611 CA SER A 37 -4.374 8.458 -9.354 1.00 0.00 C ATOM 612 C SER A 37 -4.757 8.236 -7.890 1.00 0.00 C ATOM 613 O SER A 37 -4.842 7.098 -7.431 1.00 0.00 O ATOM 614 CB SER A 37 -5.423 9.326 -10.042 1.00 0.00 C ATOM 615 OG SER A 37 -6.700 8.709 -9.996 1.00 0.00 O ATOM 0 H SER A 37 -4.732 6.411 -9.594 1.00 0.00 H new ATOM 0 HA SER A 37 -3.410 8.966 -9.385 1.00 0.00 H new ATOM 0 HB2 SER A 37 -5.468 10.301 -9.558 1.00 0.00 H new ATOM 0 HB3 SER A 37 -5.135 9.498 -11.079 1.00 0.00 H new ATOM 0 HG SER A 37 -6.592 7.738 -9.915 1.00 0.00 H new ATOM 621 N LEU A 38 -5.025 9.327 -7.175 1.00 0.00 N ATOM 622 CA LEU A 38 -5.380 9.258 -5.756 1.00 0.00 C ATOM 623 C LEU A 38 -6.893 9.212 -5.591 1.00 0.00 C ATOM 624 O LEU A 38 -7.424 9.427 -4.504 1.00 0.00 O ATOM 625 CB LEU A 38 -4.815 10.467 -5.004 1.00 0.00 C ATOM 626 CG LEU A 38 -3.291 10.597 -5.019 1.00 0.00 C ATOM 627 CD1 LEU A 38 -2.859 11.850 -4.273 1.00 0.00 C ATOM 628 CD2 LEU A 38 -2.643 9.364 -4.409 1.00 0.00 C ATOM 0 H LEU A 38 -5.003 10.273 -7.555 1.00 0.00 H new ATOM 0 HA LEU A 38 -4.948 8.348 -5.339 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -5.244 11.373 -5.433 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -5.148 10.416 -3.967 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.962 10.680 -6.055 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.772 11.928 -4.292 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.295 12.727 -4.752 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.200 11.794 -3.239 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -1.559 9.475 -4.429 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.977 9.250 -3.378 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.928 8.482 -4.983 1.00 0.00 H new ATOM 640 N HIS A 39 -7.575 8.936 -6.691 1.00 0.00 N ATOM 641 CA HIS A 39 -9.038 8.834 -6.701 1.00 0.00 C ATOM 642 C HIS A 39 -9.483 7.684 -7.579 1.00 0.00 C ATOM 643 O HIS A 39 -10.624 7.643 -8.033 1.00 0.00 O ATOM 644 CB HIS A 39 -9.682 10.120 -7.216 1.00 0.00 C ATOM 645 CG HIS A 39 -8.917 10.768 -8.311 1.00 0.00 C ATOM 646 ND1 HIS A 39 -9.199 10.590 -9.643 1.00 0.00 N ATOM 647 CD2 HIS A 39 -7.860 11.594 -8.255 1.00 0.00 C ATOM 648 CE1 HIS A 39 -8.343 11.289 -10.363 1.00 0.00 C ATOM 649 NE2 HIS A 39 -7.523 11.909 -9.542 1.00 0.00 N ATOM 0 H HIS A 39 -7.140 8.776 -7.600 1.00 0.00 H new ATOM 0 HA HIS A 39 -9.357 8.663 -5.673 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -10.689 9.897 -7.570 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -9.783 10.823 -6.389 1.00 0.00 H new ATOM 0 HD1 HIS A 39 -9.950 10.010 -10.016 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -7.368 11.944 -7.360 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -8.319 11.343 -11.441 1.00 0.00 H new ATOM 658 N GLY A 40 -8.568 6.778 -7.844 1.00 0.00 N ATOM 659 CA GLY A 40 -8.902 5.611 -8.630 1.00 0.00 C ATOM 660 C GLY A 40 -7.766 5.169 -9.521 1.00 0.00 C ATOM 661 O GLY A 40 -6.820 5.926 -9.761 1.00 0.00 O ATOM 0 H GLY A 40 -7.598 6.825 -7.531 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -9.175 4.794 -7.963 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -9.777 5.828 -9.243 1.00 0.00 H new ATOM 665 N ILE A 41 -7.862 3.948 -10.010 1.00 0.00 N ATOM 666 CA ILE A 41 -6.839 3.373 -10.871 1.00 0.00 C ATOM 667 C ILE A 41 -7.488 2.560 -11.989 1.00 0.00 C ATOM 668 O ILE A 41 -8.440 1.815 -11.750 1.00 0.00 O ATOM 669 CB ILE A 41 -5.856 2.485 -10.062 1.00 0.00 C ATOM 670 CG1 ILE A 41 -4.826 1.821 -10.986 1.00 0.00 C ATOM 671 CG2 ILE A 41 -6.608 1.436 -9.252 1.00 0.00 C ATOM 672 CD1 ILE A 41 -3.812 0.963 -10.257 1.00 0.00 C ATOM 0 H ILE A 41 -8.648 3.325 -9.824 1.00 0.00 H new ATOM 0 HA ILE A 41 -6.268 4.191 -11.310 1.00 0.00 H new ATOM 0 HB ILE A 41 -5.320 3.131 -9.366 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.351 1.205 -11.716 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -4.299 2.596 -11.543 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -5.896 0.827 -8.695 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -7.286 1.931 -8.556 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -7.181 0.799 -9.925 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -3.119 0.528 -10.977 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -3.259 1.577 -9.546 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -4.328 0.165 -9.723 1.00 0.00 H new ATOM 684 N LEU A 42 -6.988 2.725 -13.205 1.00 0.00 N ATOM 685 CA LEU A 42 -7.538 2.033 -14.358 1.00 0.00 C ATOM 686 C LEU A 42 -6.510 1.061 -14.931 1.00 0.00 C ATOM 687 O LEU A 42 -5.464 1.469 -15.439 1.00 0.00 O ATOM 688 CB LEU A 42 -7.965 3.046 -15.424 1.00 0.00 C ATOM 689 CG LEU A 42 -8.634 2.451 -16.664 1.00 0.00 C ATOM 690 CD1 LEU A 42 -9.888 1.682 -16.283 1.00 0.00 C ATOM 691 CD2 LEU A 42 -8.970 3.546 -17.662 1.00 0.00 C ATOM 0 H LEU A 42 -6.199 3.335 -13.418 1.00 0.00 H new ATOM 0 HA LEU A 42 -8.414 1.465 -14.043 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -8.652 3.759 -14.969 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -7.086 3.607 -15.740 1.00 0.00 H new ATOM 0 HG LEU A 42 -7.934 1.757 -17.129 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -10.347 1.268 -17.180 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -9.625 0.872 -15.603 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -10.592 2.354 -15.792 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -9.445 3.106 -18.539 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -9.650 4.262 -17.201 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -8.055 4.057 -17.963 1.00 0.00 H new ATOM 703 N VAL A 43 -6.801 -0.228 -14.832 1.00 0.00 N ATOM 704 CA VAL A 43 -5.894 -1.254 -15.326 1.00 0.00 C ATOM 705 C VAL A 43 -6.615 -2.217 -16.261 1.00 0.00 C ATOM 706 O VAL A 43 -7.829 -2.118 -16.455 1.00 0.00 O ATOM 707 CB VAL A 43 -5.239 -2.051 -14.176 1.00 0.00 C ATOM 708 CG1 VAL A 43 -4.275 -1.174 -13.389 1.00 0.00 C ATOM 709 CG2 VAL A 43 -6.301 -2.646 -13.261 1.00 0.00 C ATOM 0 H VAL A 43 -7.659 -0.588 -14.414 1.00 0.00 H new ATOM 0 HA VAL A 43 -5.108 -0.736 -15.876 1.00 0.00 H new ATOM 0 HB VAL A 43 -4.668 -2.871 -14.612 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.826 -1.757 -12.585 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -3.492 -0.808 -14.053 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -4.816 -0.328 -12.965 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -5.819 -3.203 -12.458 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -6.905 -1.845 -12.835 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -6.941 -3.317 -13.834 1.00 0.00 H new ATOM 719 N GLY A 44 -5.859 -3.144 -16.835 1.00 0.00 N ATOM 720 CA GLY A 44 -6.426 -4.110 -17.755 1.00 0.00 C ATOM 721 C GLY A 44 -6.127 -5.531 -17.329 1.00 0.00 C ATOM 722 O GLY A 44 -4.964 -5.888 -17.125 1.00 0.00 O ATOM 0 H GLY A 44 -4.856 -3.244 -16.678 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -7.505 -3.967 -17.813 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -6.027 -3.938 -18.755 1.00 0.00 H new ATOM 726 N GLN A 45 -7.169 -6.340 -17.188 1.00 0.00 N ATOM 727 CA GLN A 45 -7.008 -7.716 -16.736 1.00 0.00 C ATOM 728 C GLN A 45 -7.935 -8.652 -17.509 1.00 0.00 C ATOM 729 O GLN A 45 -9.157 -8.503 -17.462 1.00 0.00 O ATOM 730 CB GLN A 45 -7.303 -7.827 -15.239 1.00 0.00 C ATOM 731 CG GLN A 45 -6.962 -9.186 -14.652 1.00 0.00 C ATOM 732 CD GLN A 45 -7.369 -9.309 -13.197 1.00 0.00 C ATOM 733 OE1 GLN A 45 -6.606 -8.968 -12.296 1.00 0.00 O ATOM 734 NE2 GLN A 45 -8.572 -9.808 -12.957 1.00 0.00 N ATOM 0 H GLN A 45 -8.133 -6.068 -17.380 1.00 0.00 H new ATOM 0 HA GLN A 45 -5.975 -8.010 -16.920 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -6.740 -7.059 -14.708 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -8.360 -7.622 -15.069 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -7.459 -9.964 -15.232 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -5.889 -9.358 -14.742 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -9.176 -10.079 -13.733 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -8.895 -9.921 -11.996 1.00 0.00 H new ATOM 743 N PRO A 46 -7.364 -9.623 -18.237 1.00 0.00 N ATOM 744 CA PRO A 46 -8.137 -10.623 -18.973 1.00 0.00 C ATOM 745 C PRO A 46 -8.510 -11.831 -18.109 1.00 0.00 C ATOM 746 O PRO A 46 -9.050 -12.823 -18.604 1.00 0.00 O ATOM 747 CB PRO A 46 -7.174 -11.031 -20.084 1.00 0.00 C ATOM 748 CG PRO A 46 -5.817 -10.893 -19.475 1.00 0.00 C ATOM 749 CD PRO A 46 -5.914 -9.807 -18.428 1.00 0.00 C ATOM 0 HA PRO A 46 -9.092 -10.235 -19.327 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -7.359 -12.054 -20.413 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -7.283 -10.390 -20.959 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -5.497 -11.834 -19.027 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -5.078 -10.634 -20.233 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -5.424 -10.102 -17.500 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -5.436 -8.886 -18.762 1.00 0.00 H new ATOM 757 N GLN A 47 -8.211 -11.742 -16.818 1.00 0.00 N ATOM 758 CA GLN A 47 -8.519 -12.816 -15.882 1.00 0.00 C ATOM 759 C GLN A 47 -9.731 -12.455 -15.034 1.00 0.00 C ATOM 760 O GLN A 47 -10.193 -11.313 -15.054 1.00 0.00 O ATOM 761 CB GLN A 47 -7.322 -13.109 -14.979 1.00 0.00 C ATOM 762 CG GLN A 47 -6.095 -13.599 -15.731 1.00 0.00 C ATOM 763 CD GLN A 47 -4.983 -14.031 -14.799 1.00 0.00 C ATOM 764 OE1 GLN A 47 -4.126 -13.236 -14.422 1.00 0.00 O ATOM 765 NE2 GLN A 47 -4.995 -15.296 -14.418 1.00 0.00 N ATOM 0 H GLN A 47 -7.754 -10.934 -16.395 1.00 0.00 H new ATOM 0 HA GLN A 47 -8.747 -13.711 -16.461 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -7.063 -12.204 -14.429 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -7.609 -13.859 -14.242 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -6.374 -14.436 -16.371 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -5.731 -12.806 -16.384 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -5.725 -15.923 -14.755 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -4.274 -15.645 -13.787 1.00 0.00 H new ATOM 774 N ASP A 48 -10.232 -13.429 -14.282 1.00 0.00 N ATOM 775 CA ASP A 48 -11.421 -13.238 -13.459 1.00 0.00 C ATOM 776 C ASP A 48 -11.019 -12.942 -12.020 1.00 0.00 C ATOM 777 O ASP A 48 -9.883 -12.558 -11.753 1.00 0.00 O ATOM 778 CB ASP A 48 -12.312 -14.485 -13.497 1.00 0.00 C ATOM 779 CG ASP A 48 -12.624 -14.948 -14.905 1.00 0.00 C ATOM 780 OD1 ASP A 48 -11.984 -15.920 -15.365 1.00 0.00 O ATOM 781 OD2 ASP A 48 -13.504 -14.349 -15.558 1.00 0.00 O ATOM 0 H ASP A 48 -9.830 -14.365 -14.225 1.00 0.00 H new ATOM 0 HA ASP A 48 -11.982 -12.393 -13.860 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -11.820 -15.293 -12.956 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -13.245 -14.274 -12.975 1.00 0.00 H new ATOM 786 N TRP A 49 -11.950 -13.127 -11.094 1.00 0.00 N ATOM 787 CA TRP A 49 -11.684 -12.838 -9.692 1.00 0.00 C ATOM 788 C TRP A 49 -11.717 -14.102 -8.838 1.00 0.00 C ATOM 789 O TRP A 49 -12.083 -15.180 -9.313 1.00 0.00 O ATOM 790 CB TRP A 49 -12.674 -11.798 -9.169 1.00 0.00 C ATOM 791 CG TRP A 49 -12.480 -10.457 -9.809 1.00 0.00 C ATOM 792 CD1 TRP A 49 -13.390 -9.749 -10.541 1.00 0.00 C ATOM 793 CD2 TRP A 49 -11.279 -9.675 -9.794 1.00 0.00 C ATOM 794 NE1 TRP A 49 -12.830 -8.571 -10.969 1.00 0.00 N ATOM 795 CE2 TRP A 49 -11.537 -8.503 -10.523 1.00 0.00 C ATOM 796 CE3 TRP A 49 -10.012 -9.855 -9.227 1.00 0.00 C ATOM 797 CZ2 TRP A 49 -10.576 -7.513 -10.699 1.00 0.00 C ATOM 798 CZ3 TRP A 49 -9.059 -8.871 -9.403 1.00 0.00 C ATOM 799 CH2 TRP A 49 -9.346 -7.714 -10.134 1.00 0.00 C ATOM 0 H TRP A 49 -12.890 -13.473 -11.286 1.00 0.00 H new ATOM 0 HA TRP A 49 -10.676 -12.428 -9.620 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -13.691 -12.143 -9.354 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -12.561 -11.703 -8.089 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -14.400 -10.068 -10.752 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -13.301 -7.861 -11.529 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -9.784 -10.747 -8.662 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -10.793 -6.617 -11.262 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -8.078 -8.997 -8.970 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -8.580 -6.962 -10.255 1.00 0.00 H new ATOM 810 N ASN A 50 -11.325 -13.956 -7.573 1.00 0.00 N ATOM 811 CA ASN A 50 -11.171 -15.092 -6.664 1.00 0.00 C ATOM 812 C ASN A 50 -12.509 -15.529 -6.082 1.00 0.00 C ATOM 813 O ASN A 50 -13.038 -16.580 -6.442 1.00 0.00 O ATOM 814 CB ASN A 50 -10.188 -14.734 -5.537 1.00 0.00 C ATOM 815 CG ASN A 50 -9.967 -15.865 -4.549 1.00 0.00 C ATOM 816 OD1 ASN A 50 -9.134 -16.738 -4.773 1.00 0.00 O ATOM 817 ND2 ASN A 50 -10.687 -15.832 -3.436 1.00 0.00 N ATOM 0 H ASN A 50 -11.106 -13.053 -7.151 1.00 0.00 H new ATOM 0 HA ASN A 50 -10.772 -15.929 -7.236 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -9.231 -14.452 -5.976 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -10.563 -13.862 -5.002 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -10.559 -16.551 -2.724 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -11.369 -15.087 -3.291 1.00 0.00 H new ATOM 857 N GLN A 54 -16.738 -7.803 -3.629 1.00 0.00 N ATOM 858 CA GLN A 54 -17.046 -7.015 -2.436 1.00 0.00 C ATOM 859 C GLN A 54 -15.891 -7.065 -1.445 1.00 0.00 C ATOM 860 O GLN A 54 -15.848 -6.305 -0.475 1.00 0.00 O ATOM 861 CB GLN A 54 -18.326 -7.522 -1.768 1.00 0.00 C ATOM 862 CG GLN A 54 -19.573 -7.328 -2.614 1.00 0.00 C ATOM 863 CD GLN A 54 -20.788 -8.009 -2.016 1.00 0.00 C ATOM 864 OE1 GLN A 54 -21.529 -7.417 -1.232 1.00 0.00 O ATOM 865 NE2 GLN A 54 -20.992 -9.266 -2.370 1.00 0.00 N ATOM 0 HA GLN A 54 -17.198 -5.981 -2.747 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -18.212 -8.582 -1.542 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -18.458 -7.006 -0.817 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -19.774 -6.262 -2.722 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -19.395 -7.722 -3.615 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -20.355 -9.722 -3.023 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -21.787 -9.780 -1.990 1.00 0.00 H new ATOM 874 N ARG A 55 -14.960 -7.972 -1.688 1.00 0.00 N ATOM 875 CA ARG A 55 -13.783 -8.100 -0.861 1.00 0.00 C ATOM 876 C ARG A 55 -12.666 -7.234 -1.417 1.00 0.00 C ATOM 877 O ARG A 55 -12.580 -7.028 -2.628 1.00 0.00 O ATOM 878 CB ARG A 55 -13.332 -9.557 -0.805 1.00 0.00 C ATOM 879 CG ARG A 55 -14.334 -10.484 -0.144 1.00 0.00 C ATOM 880 CD ARG A 55 -13.933 -11.936 -0.319 1.00 0.00 C ATOM 881 NE ARG A 55 -12.536 -12.168 0.056 1.00 0.00 N ATOM 882 CZ ARG A 55 -11.929 -13.354 -0.008 1.00 0.00 C ATOM 883 NH1 ARG A 55 -12.604 -14.430 -0.394 1.00 0.00 N ATOM 884 NH2 ARG A 55 -10.644 -13.457 0.308 1.00 0.00 N ATOM 0 H ARG A 55 -15.003 -8.635 -2.462 1.00 0.00 H new ATOM 0 HA ARG A 55 -14.025 -7.769 0.149 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -13.141 -9.908 -1.819 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -12.387 -9.614 -0.265 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -14.406 -10.249 0.918 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -15.322 -10.322 -0.574 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -14.581 -12.567 0.289 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -14.084 -12.231 -1.357 1.00 0.00 H new ATOM 0 HE ARG A 55 -11.992 -11.371 0.387 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -13.590 -14.351 -0.643 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -12.137 -15.335 -0.442 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -10.123 -12.630 0.599 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -10.178 -14.363 0.260 1.00 0.00 H new ATOM 898 N PRO A 56 -11.818 -6.704 -0.530 1.00 0.00 N ATOM 899 CA PRO A 56 -10.665 -5.888 -0.915 1.00 0.00 C ATOM 900 C PRO A 56 -9.785 -6.563 -1.966 1.00 0.00 C ATOM 901 O PRO A 56 -9.662 -7.795 -2.005 1.00 0.00 O ATOM 902 CB PRO A 56 -9.884 -5.726 0.390 1.00 0.00 C ATOM 903 CG PRO A 56 -10.887 -5.922 1.475 1.00 0.00 C ATOM 904 CD PRO A 56 -11.929 -6.857 0.928 1.00 0.00 C ATOM 0 HA PRO A 56 -10.980 -4.947 -1.366 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -9.080 -6.458 0.461 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -9.424 -4.740 0.453 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -10.419 -6.341 2.365 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -11.333 -4.972 1.767 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -11.743 -7.886 1.236 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -12.926 -6.594 1.282 1.00 0.00 H new ATOM 912 N PHE A 57 -9.203 -5.746 -2.828 1.00 0.00 N ATOM 913 CA PHE A 57 -8.235 -6.210 -3.803 1.00 0.00 C ATOM 914 C PHE A 57 -6.902 -5.526 -3.529 1.00 0.00 C ATOM 915 O PHE A 57 -6.865 -4.331 -3.232 1.00 0.00 O ATOM 916 CB PHE A 57 -8.710 -5.902 -5.231 1.00 0.00 C ATOM 917 CG PHE A 57 -9.880 -6.739 -5.680 1.00 0.00 C ATOM 918 CD1 PHE A 57 -9.817 -8.121 -5.593 1.00 0.00 C ATOM 919 CD2 PHE A 57 -11.037 -6.158 -6.198 1.00 0.00 C ATOM 920 CE1 PHE A 57 -10.877 -8.906 -6.001 1.00 0.00 C ATOM 921 CE2 PHE A 57 -12.098 -6.945 -6.606 1.00 0.00 C ATOM 922 CZ PHE A 57 -12.018 -8.319 -6.508 1.00 0.00 C ATOM 0 H PHE A 57 -9.389 -4.744 -2.870 1.00 0.00 H new ATOM 0 HA PHE A 57 -8.122 -7.291 -3.717 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -8.984 -4.849 -5.293 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -7.880 -6.056 -5.921 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -8.927 -8.590 -5.201 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -11.105 -5.083 -6.281 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -10.813 -9.981 -5.923 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -12.991 -6.484 -7.002 1.00 0.00 H new ATOM 0 HZ PHE A 57 -12.847 -8.934 -6.827 1.00 0.00 H new ATOM 932 N GLU A 58 -5.813 -6.266 -3.616 1.00 0.00 N ATOM 933 CA GLU A 58 -4.509 -5.700 -3.317 1.00 0.00 C ATOM 934 C GLU A 58 -3.739 -5.427 -4.596 1.00 0.00 C ATOM 935 O GLU A 58 -3.559 -6.315 -5.425 1.00 0.00 O ATOM 936 CB GLU A 58 -3.680 -6.625 -2.419 1.00 0.00 C ATOM 937 CG GLU A 58 -4.320 -6.947 -1.080 1.00 0.00 C ATOM 938 CD GLU A 58 -5.226 -8.158 -1.145 1.00 0.00 C ATOM 939 OE1 GLU A 58 -4.697 -9.290 -1.191 1.00 0.00 O ATOM 940 OE2 GLU A 58 -6.460 -7.985 -1.133 1.00 0.00 O ATOM 0 H GLU A 58 -5.803 -7.249 -3.888 1.00 0.00 H new ATOM 0 HA GLU A 58 -4.682 -4.765 -2.785 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -3.496 -7.558 -2.952 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -2.709 -6.162 -2.241 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -3.539 -7.122 -0.340 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -4.895 -6.086 -0.739 1.00 0.00 H new ATOM 947 N ALA A 59 -3.291 -4.191 -4.747 1.00 0.00 N ATOM 948 CA ALA A 59 -2.486 -3.804 -5.891 1.00 0.00 C ATOM 949 C ALA A 59 -1.036 -3.635 -5.464 1.00 0.00 C ATOM 950 O ALA A 59 -0.712 -2.753 -4.662 1.00 0.00 O ATOM 951 CB ALA A 59 -3.016 -2.517 -6.511 1.00 0.00 C ATOM 0 H ALA A 59 -3.473 -3.435 -4.086 1.00 0.00 H new ATOM 0 HA ALA A 59 -2.544 -4.589 -6.645 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -2.399 -2.244 -7.367 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -4.045 -2.668 -6.839 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -2.985 -1.717 -5.771 1.00 0.00 H new ATOM 957 N ARG A 60 -0.172 -4.497 -5.974 1.00 0.00 N ATOM 958 CA ARG A 60 1.234 -4.466 -5.614 1.00 0.00 C ATOM 959 C ARG A 60 2.093 -4.136 -6.834 1.00 0.00 C ATOM 960 O ARG A 60 2.075 -4.862 -7.829 1.00 0.00 O ATOM 961 CB ARG A 60 1.636 -5.812 -5.006 1.00 0.00 C ATOM 962 CG ARG A 60 3.094 -5.886 -4.599 1.00 0.00 C ATOM 963 CD ARG A 60 3.415 -7.199 -3.905 1.00 0.00 C ATOM 964 NE ARG A 60 2.877 -7.259 -2.546 1.00 0.00 N ATOM 965 CZ ARG A 60 2.514 -8.391 -1.945 1.00 0.00 C ATOM 966 NH1 ARG A 60 2.565 -9.540 -2.603 1.00 0.00 N ATOM 967 NH2 ARG A 60 2.093 -8.369 -0.686 1.00 0.00 N ATOM 0 H ARG A 60 -0.421 -5.228 -6.640 1.00 0.00 H new ATOM 0 HA ARG A 60 1.398 -3.684 -4.873 1.00 0.00 H new ATOM 0 HB2 ARG A 60 1.014 -6.006 -4.132 1.00 0.00 H new ATOM 0 HB3 ARG A 60 1.429 -6.603 -5.727 1.00 0.00 H new ATOM 0 HG2 ARG A 60 3.725 -5.776 -5.481 1.00 0.00 H new ATOM 0 HG3 ARG A 60 3.329 -5.055 -3.934 1.00 0.00 H new ATOM 0 HD2 ARG A 60 3.009 -8.024 -4.490 1.00 0.00 H new ATOM 0 HD3 ARG A 60 4.496 -7.334 -3.871 1.00 0.00 H new ATOM 0 HE ARG A 60 2.774 -6.385 -2.030 1.00 0.00 H new ATOM 0 HH11 ARG A 60 2.883 -9.559 -3.572 1.00 0.00 H new ATOM 0 HH12 ARG A 60 2.286 -10.405 -2.140 1.00 0.00 H new ATOM 0 HH21 ARG A 60 2.047 -7.485 -0.179 1.00 0.00 H new ATOM 0 HH22 ARG A 60 1.815 -9.236 -0.226 1.00 0.00 H new ATOM 981 N LEU A 61 2.819 -3.026 -6.749 1.00 0.00 N ATOM 982 CA LEU A 61 3.670 -2.558 -7.838 1.00 0.00 C ATOM 983 C LEU A 61 5.143 -2.763 -7.493 1.00 0.00 C ATOM 984 O LEU A 61 5.639 -2.208 -6.509 1.00 0.00 O ATOM 985 CB LEU A 61 3.419 -1.068 -8.101 1.00 0.00 C ATOM 986 CG LEU A 61 1.972 -0.690 -8.430 1.00 0.00 C ATOM 987 CD1 LEU A 61 1.820 0.822 -8.486 1.00 0.00 C ATOM 988 CD2 LEU A 61 1.545 -1.316 -9.747 1.00 0.00 C ATOM 0 H LEU A 61 2.834 -2.426 -5.924 1.00 0.00 H new ATOM 0 HA LEU A 61 3.427 -3.134 -8.731 1.00 0.00 H new ATOM 0 HB2 LEU A 61 3.732 -0.504 -7.222 1.00 0.00 H new ATOM 0 HB3 LEU A 61 4.056 -0.751 -8.927 1.00 0.00 H new ATOM 0 HG LEU A 61 1.326 -1.074 -7.641 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.786 1.075 -8.721 1.00 0.00 H new ATOM 0 HD12 LEU A 61 2.088 1.251 -7.520 1.00 0.00 H new ATOM 0 HD13 LEU A 61 2.476 1.225 -9.257 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.514 -1.037 -9.965 1.00 0.00 H new ATOM 0 HD22 LEU A 61 2.194 -0.960 -10.547 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.620 -2.401 -9.675 1.00 0.00 H new ATOM 1000 N TYR A 62 5.832 -3.558 -8.297 1.00 0.00 N ATOM 1001 CA TYR A 62 7.256 -3.802 -8.097 1.00 0.00 C ATOM 1002 C TYR A 62 8.087 -2.840 -8.941 1.00 0.00 C ATOM 1003 O TYR A 62 8.002 -2.858 -10.172 1.00 0.00 O ATOM 1004 CB TYR A 62 7.636 -5.238 -8.485 1.00 0.00 C ATOM 1005 CG TYR A 62 6.901 -6.329 -7.732 1.00 0.00 C ATOM 1006 CD1 TYR A 62 7.538 -7.052 -6.732 1.00 0.00 C ATOM 1007 CD2 TYR A 62 5.581 -6.644 -8.030 1.00 0.00 C ATOM 1008 CE1 TYR A 62 6.882 -8.058 -6.050 1.00 0.00 C ATOM 1009 CE2 TYR A 62 4.918 -7.647 -7.350 1.00 0.00 C ATOM 1010 CZ TYR A 62 5.571 -8.351 -6.362 1.00 0.00 C ATOM 1011 OH TYR A 62 4.909 -9.346 -5.679 1.00 0.00 O ATOM 0 H TYR A 62 5.429 -4.047 -9.096 1.00 0.00 H new ATOM 0 HA TYR A 62 7.463 -3.647 -7.038 1.00 0.00 H new ATOM 0 HB2 TYR A 62 7.453 -5.369 -9.552 1.00 0.00 H new ATOM 0 HB3 TYR A 62 8.707 -5.368 -8.327 1.00 0.00 H new ATOM 0 HD1 TYR A 62 8.564 -6.824 -6.483 1.00 0.00 H new ATOM 0 HD2 TYR A 62 5.066 -6.096 -8.805 1.00 0.00 H new ATOM 0 HE1 TYR A 62 7.393 -8.612 -5.277 1.00 0.00 H new ATOM 0 HE2 TYR A 62 3.891 -7.879 -7.592 1.00 0.00 H new ATOM 0 HH TYR A 62 4.128 -9.634 -6.197 1.00 0.00 H new ATOM 1021 N LEU A 63 8.878 -1.997 -8.286 1.00 0.00 N ATOM 1022 CA LEU A 63 9.855 -1.172 -8.990 1.00 0.00 C ATOM 1023 C LEU A 63 11.231 -1.799 -8.843 1.00 0.00 C ATOM 1024 O LEU A 63 12.151 -1.530 -9.617 1.00 0.00 O ATOM 1025 CB LEU A 63 9.871 0.258 -8.445 1.00 0.00 C ATOM 1026 CG LEU A 63 8.613 1.083 -8.722 1.00 0.00 C ATOM 1027 CD1 LEU A 63 8.764 2.481 -8.152 1.00 0.00 C ATOM 1028 CD2 LEU A 63 8.338 1.151 -10.214 1.00 0.00 C ATOM 0 H LEU A 63 8.863 -1.867 -7.274 1.00 0.00 H new ATOM 0 HA LEU A 63 9.577 -1.123 -10.043 1.00 0.00 H new ATOM 0 HB2 LEU A 63 10.026 0.216 -7.367 1.00 0.00 H new ATOM 0 HB3 LEU A 63 10.728 0.781 -8.870 1.00 0.00 H new ATOM 0 HG LEU A 63 7.768 0.596 -8.236 1.00 0.00 H new ATOM 0 HD11 LEU A 63 7.861 3.057 -8.357 1.00 0.00 H new ATOM 0 HD12 LEU A 63 8.919 2.420 -7.075 1.00 0.00 H new ATOM 0 HD13 LEU A 63 9.620 2.972 -8.615 1.00 0.00 H new ATOM 0 HD21 LEU A 63 7.439 1.742 -10.392 1.00 0.00 H new ATOM 0 HD22 LEU A 63 9.184 1.617 -10.719 1.00 0.00 H new ATOM 0 HD23 LEU A 63 8.193 0.143 -10.603 1.00 0.00 H new ATOM 1040 N GLY A 64 11.347 -2.645 -7.838 1.00 0.00 N ATOM 1041 CA GLY A 64 12.570 -3.363 -7.573 1.00 0.00 C ATOM 1042 C GLY A 64 12.313 -4.472 -6.583 1.00 0.00 C ATOM 1043 O GLY A 64 11.165 -4.887 -6.417 1.00 0.00 O ATOM 0 H GLY A 64 10.592 -2.851 -7.183 1.00 0.00 H new ATOM 0 HA2 GLY A 64 12.967 -3.777 -8.500 1.00 0.00 H new ATOM 0 HA3 GLY A 64 13.324 -2.681 -7.180 1.00 0.00 H new ATOM 1047 N LEU A 65 13.347 -4.946 -5.912 1.00 0.00 N ATOM 1048 CA LEU A 65 13.165 -5.973 -4.899 1.00 0.00 C ATOM 1049 C LEU A 65 12.710 -5.319 -3.597 1.00 0.00 C ATOM 1050 O LEU A 65 11.889 -5.868 -2.862 1.00 0.00 O ATOM 1051 CB LEU A 65 14.469 -6.764 -4.696 1.00 0.00 C ATOM 1052 CG LEU A 65 14.312 -8.190 -4.142 1.00 0.00 C ATOM 1053 CD1 LEU A 65 15.593 -8.979 -4.356 1.00 0.00 C ATOM 1054 CD2 LEU A 65 13.954 -8.174 -2.662 1.00 0.00 C ATOM 0 H LEU A 65 14.311 -4.642 -6.047 1.00 0.00 H new ATOM 0 HA LEU A 65 12.400 -6.677 -5.226 1.00 0.00 H new ATOM 0 HB2 LEU A 65 14.988 -6.822 -5.653 1.00 0.00 H new ATOM 0 HB3 LEU A 65 15.111 -6.201 -4.019 1.00 0.00 H new ATOM 0 HG LEU A 65 13.497 -8.671 -4.683 1.00 0.00 H new ATOM 0 HD11 LEU A 65 15.470 -9.987 -3.960 1.00 0.00 H new ATOM 0 HD12 LEU A 65 15.814 -9.033 -5.422 1.00 0.00 H new ATOM 0 HD13 LEU A 65 16.416 -8.484 -3.840 1.00 0.00 H new ATOM 0 HD21 LEU A 65 13.850 -9.197 -2.302 1.00 0.00 H new ATOM 0 HD22 LEU A 65 14.742 -7.670 -2.102 1.00 0.00 H new ATOM 0 HD23 LEU A 65 13.013 -7.643 -2.521 1.00 0.00 H new ATOM 1066 N ASP A 66 13.225 -4.123 -3.337 1.00 0.00 N ATOM 1067 CA ASP A 66 12.879 -3.393 -2.125 1.00 0.00 C ATOM 1068 C ASP A 66 11.770 -2.381 -2.387 1.00 0.00 C ATOM 1069 O ASP A 66 10.810 -2.295 -1.620 1.00 0.00 O ATOM 1070 CB ASP A 66 14.099 -2.678 -1.547 1.00 0.00 C ATOM 1071 CG ASP A 66 13.734 -1.798 -0.366 1.00 0.00 C ATOM 1072 OD1 ASP A 66 13.869 -0.563 -0.472 1.00 0.00 O ATOM 1073 OD2 ASP A 66 13.296 -2.340 0.669 1.00 0.00 O ATOM 0 H ASP A 66 13.883 -3.639 -3.949 1.00 0.00 H new ATOM 0 HA ASP A 66 12.521 -4.124 -1.400 1.00 0.00 H new ATOM 0 HB2 ASP A 66 14.838 -3.416 -1.235 1.00 0.00 H new ATOM 0 HB3 ASP A 66 14.564 -2.070 -2.323 1.00 0.00 H new ATOM 1078 N VAL A 67 11.893 -1.628 -3.475 1.00 0.00 N ATOM 1079 CA VAL A 67 10.923 -0.587 -3.783 1.00 0.00 C ATOM 1080 C VAL A 67 9.602 -1.215 -4.206 1.00 0.00 C ATOM 1081 O VAL A 67 9.429 -1.630 -5.357 1.00 0.00 O ATOM 1082 CB VAL A 67 11.424 0.372 -4.884 1.00 0.00 C ATOM 1083 CG1 VAL A 67 10.449 1.523 -5.069 1.00 0.00 C ATOM 1084 CG2 VAL A 67 12.813 0.898 -4.553 1.00 0.00 C ATOM 0 H VAL A 67 12.650 -1.719 -4.153 1.00 0.00 H new ATOM 0 HA VAL A 67 10.780 0.002 -2.877 1.00 0.00 H new ATOM 0 HB VAL A 67 11.486 -0.185 -5.819 1.00 0.00 H new ATOM 0 HG11 VAL A 67 10.817 2.190 -5.849 1.00 0.00 H new ATOM 0 HG12 VAL A 67 9.474 1.131 -5.357 1.00 0.00 H new ATOM 0 HG13 VAL A 67 10.356 2.075 -4.134 1.00 0.00 H new ATOM 0 HG21 VAL A 67 13.145 1.572 -5.343 1.00 0.00 H new ATOM 0 HG22 VAL A 67 12.782 1.437 -3.606 1.00 0.00 H new ATOM 0 HG23 VAL A 67 13.509 0.063 -4.472 1.00 0.00 H new ATOM 1094 N LEU A 68 8.684 -1.298 -3.261 1.00 0.00 N ATOM 1095 CA LEU A 68 7.421 -1.969 -3.485 1.00 0.00 C ATOM 1096 C LEU A 68 6.262 -1.086 -3.049 1.00 0.00 C ATOM 1097 O LEU A 68 6.101 -0.799 -1.864 1.00 0.00 O ATOM 1098 CB LEU A 68 7.395 -3.288 -2.706 1.00 0.00 C ATOM 1099 CG LEU A 68 6.204 -4.196 -3.000 1.00 0.00 C ATOM 1100 CD1 LEU A 68 6.242 -4.658 -4.445 1.00 0.00 C ATOM 1101 CD2 LEU A 68 6.199 -5.388 -2.053 1.00 0.00 C ATOM 0 H LEU A 68 8.793 -0.906 -2.326 1.00 0.00 H new ATOM 0 HA LEU A 68 7.316 -2.174 -4.550 1.00 0.00 H new ATOM 0 HB2 LEU A 68 8.311 -3.837 -2.923 1.00 0.00 H new ATOM 0 HB3 LEU A 68 7.404 -3.061 -1.640 1.00 0.00 H new ATOM 0 HG LEU A 68 5.285 -3.632 -2.842 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.387 -5.305 -4.643 1.00 0.00 H new ATOM 0 HD12 LEU A 68 6.202 -3.792 -5.105 1.00 0.00 H new ATOM 0 HD13 LEU A 68 7.164 -5.210 -4.626 1.00 0.00 H new ATOM 0 HD21 LEU A 68 5.344 -6.026 -2.276 1.00 0.00 H new ATOM 0 HD22 LEU A 68 7.119 -5.958 -2.180 1.00 0.00 H new ATOM 0 HD23 LEU A 68 6.130 -5.035 -1.024 1.00 0.00 H new ATOM 1113 N ILE A 69 5.463 -0.647 -4.004 1.00 0.00 N ATOM 1114 CA ILE A 69 4.295 0.162 -3.697 1.00 0.00 C ATOM 1115 C ILE A 69 3.079 -0.741 -3.579 1.00 0.00 C ATOM 1116 O ILE A 69 2.598 -1.288 -4.569 1.00 0.00 O ATOM 1117 CB ILE A 69 4.017 1.262 -4.759 1.00 0.00 C ATOM 1118 CG1 ILE A 69 5.189 2.244 -4.876 1.00 0.00 C ATOM 1119 CG2 ILE A 69 2.741 2.020 -4.413 1.00 0.00 C ATOM 1120 CD1 ILE A 69 6.396 1.695 -5.608 1.00 0.00 C ATOM 0 H ILE A 69 5.600 -0.836 -4.997 1.00 0.00 H new ATOM 0 HA ILE A 69 4.498 0.673 -2.756 1.00 0.00 H new ATOM 0 HB ILE A 69 3.895 0.766 -5.722 1.00 0.00 H new ATOM 0 HG12 ILE A 69 4.845 3.141 -5.390 1.00 0.00 H new ATOM 0 HG13 ILE A 69 5.494 2.547 -3.875 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.558 2.787 -5.165 1.00 0.00 H new ATOM 0 HG22 ILE A 69 1.900 1.326 -4.391 1.00 0.00 H new ATOM 0 HG23 ILE A 69 2.850 2.489 -3.435 1.00 0.00 H new ATOM 0 HD11 ILE A 69 7.176 2.455 -5.644 1.00 0.00 H new ATOM 0 HD12 ILE A 69 6.770 0.815 -5.084 1.00 0.00 H new ATOM 0 HD13 ILE A 69 6.111 1.419 -6.623 1.00 0.00 H new ATOM 1132 N ARG A 70 2.608 -0.922 -2.361 1.00 0.00 N ATOM 1133 CA ARG A 70 1.455 -1.768 -2.119 1.00 0.00 C ATOM 1134 C ARG A 70 0.302 -0.928 -1.587 1.00 0.00 C ATOM 1135 O ARG A 70 0.470 -0.156 -0.646 1.00 0.00 O ATOM 1136 CB ARG A 70 1.793 -2.928 -1.157 1.00 0.00 C ATOM 1137 CG ARG A 70 2.245 -2.510 0.243 1.00 0.00 C ATOM 1138 CD ARG A 70 3.645 -1.903 0.246 1.00 0.00 C ATOM 1139 NE ARG A 70 3.975 -1.277 1.525 1.00 0.00 N ATOM 1140 CZ ARG A 70 3.374 -0.180 1.992 1.00 0.00 C ATOM 1141 NH1 ARG A 70 2.371 0.363 1.322 1.00 0.00 N ATOM 1142 NH2 ARG A 70 3.758 0.360 3.138 1.00 0.00 N ATOM 0 H ARG A 70 3.005 -0.495 -1.524 1.00 0.00 H new ATOM 0 HA ARG A 70 1.154 -2.219 -3.065 1.00 0.00 H new ATOM 0 HB2 ARG A 70 0.914 -3.566 -1.061 1.00 0.00 H new ATOM 0 HB3 ARG A 70 2.579 -3.534 -1.608 1.00 0.00 H new ATOM 0 HG2 ARG A 70 1.538 -1.787 0.649 1.00 0.00 H new ATOM 0 HG3 ARG A 70 2.227 -3.378 0.902 1.00 0.00 H new ATOM 0 HD2 ARG A 70 4.376 -2.681 0.025 1.00 0.00 H new ATOM 0 HD3 ARG A 70 3.719 -1.161 -0.549 1.00 0.00 H new ATOM 0 HE ARG A 70 4.707 -1.703 2.094 1.00 0.00 H new ATOM 0 HH11 ARG A 70 2.056 -0.056 0.447 1.00 0.00 H new ATOM 0 HH12 ARG A 70 1.913 1.201 1.680 1.00 0.00 H new ATOM 0 HH21 ARG A 70 4.518 -0.062 3.671 1.00 0.00 H new ATOM 0 HH22 ARG A 70 3.294 1.198 3.488 1.00 0.00 H new ATOM 1156 N MET A 71 -0.849 -1.056 -2.224 1.00 0.00 N ATOM 1157 CA MET A 71 -2.036 -0.303 -1.840 1.00 0.00 C ATOM 1158 C MET A 71 -3.253 -1.220 -1.864 1.00 0.00 C ATOM 1159 O MET A 71 -3.271 -2.217 -2.589 1.00 0.00 O ATOM 1160 CB MET A 71 -2.240 0.885 -2.789 1.00 0.00 C ATOM 1161 CG MET A 71 -2.416 0.482 -4.247 1.00 0.00 C ATOM 1162 SD MET A 71 -2.425 1.892 -5.374 1.00 0.00 S ATOM 1163 CE MET A 71 -3.824 2.823 -4.759 1.00 0.00 C ATOM 0 H MET A 71 -0.990 -1.681 -3.018 1.00 0.00 H new ATOM 0 HA MET A 71 -1.904 0.084 -0.830 1.00 0.00 H new ATOM 0 HB2 MET A 71 -3.117 1.448 -2.469 1.00 0.00 H new ATOM 0 HB3 MET A 71 -1.384 1.555 -2.707 1.00 0.00 H new ATOM 0 HG2 MET A 71 -1.611 -0.197 -4.530 1.00 0.00 H new ATOM 0 HG3 MET A 71 -3.350 -0.068 -4.356 1.00 0.00 H new ATOM 0 HE1 MET A 71 -4.359 3.272 -5.596 1.00 0.00 H new ATOM 0 HE2 MET A 71 -4.494 2.157 -4.216 1.00 0.00 H new ATOM 0 HE3 MET A 71 -3.473 3.609 -4.090 1.00 0.00 H new ATOM 1173 N GLU A 72 -4.262 -0.886 -1.078 1.00 0.00 N ATOM 1174 CA GLU A 72 -5.443 -1.723 -0.964 1.00 0.00 C ATOM 1175 C GLU A 72 -6.634 -1.007 -1.591 1.00 0.00 C ATOM 1176 O GLU A 72 -7.009 0.091 -1.170 1.00 0.00 O ATOM 1177 CB GLU A 72 -5.686 -2.034 0.509 1.00 0.00 C ATOM 1178 CG GLU A 72 -6.726 -3.101 0.776 1.00 0.00 C ATOM 1179 CD GLU A 72 -6.801 -3.443 2.247 1.00 0.00 C ATOM 1180 OE1 GLU A 72 -6.068 -4.348 2.689 1.00 0.00 O ATOM 1181 OE2 GLU A 72 -7.565 -2.780 2.977 1.00 0.00 O ATOM 0 H GLU A 72 -4.287 -0.040 -0.509 1.00 0.00 H new ATOM 0 HA GLU A 72 -5.301 -2.664 -1.496 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -4.744 -2.346 0.959 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -5.991 -1.117 1.013 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -7.701 -2.756 0.431 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -6.485 -3.997 0.204 1.00 0.00 H new ATOM 1188 N ILE A 73 -7.212 -1.625 -2.607 1.00 0.00 N ATOM 1189 CA ILE A 73 -8.234 -0.981 -3.416 1.00 0.00 C ATOM 1190 C ILE A 73 -9.524 -1.791 -3.430 1.00 0.00 C ATOM 1191 O ILE A 73 -9.533 -2.975 -3.093 1.00 0.00 O ATOM 1192 CB ILE A 73 -7.741 -0.788 -4.870 1.00 0.00 C ATOM 1193 CG1 ILE A 73 -7.307 -2.132 -5.463 1.00 0.00 C ATOM 1194 CG2 ILE A 73 -6.596 0.216 -4.916 1.00 0.00 C ATOM 1195 CD1 ILE A 73 -6.715 -2.037 -6.852 1.00 0.00 C ATOM 0 H ILE A 73 -6.989 -2.578 -2.893 1.00 0.00 H new ATOM 0 HA ILE A 73 -8.434 -0.008 -2.967 1.00 0.00 H new ATOM 0 HB ILE A 73 -8.562 -0.395 -5.469 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -6.574 -2.589 -4.799 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -8.169 -2.798 -5.493 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -6.262 0.340 -5.946 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -6.938 1.176 -4.528 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -5.768 -0.148 -4.307 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.435 -3.032 -7.197 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -7.452 -1.611 -7.533 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -5.832 -1.399 -6.828 1.00 0.00 H new ATOM 1207 N SER A 74 -10.613 -1.142 -3.800 1.00 0.00 N ATOM 1208 CA SER A 74 -11.887 -1.820 -3.959 1.00 0.00 C ATOM 1209 C SER A 74 -12.415 -1.620 -5.375 1.00 0.00 C ATOM 1210 O SER A 74 -12.516 -0.490 -5.852 1.00 0.00 O ATOM 1211 CB SER A 74 -12.884 -1.304 -2.921 1.00 0.00 C ATOM 1212 OG SER A 74 -12.774 0.101 -2.773 1.00 0.00 O ATOM 0 H SER A 74 -10.641 -0.142 -3.997 1.00 0.00 H new ATOM 0 HA SER A 74 -11.749 -2.889 -3.798 1.00 0.00 H new ATOM 0 HB2 SER A 74 -13.898 -1.564 -3.224 1.00 0.00 H new ATOM 0 HB3 SER A 74 -12.703 -1.791 -1.963 1.00 0.00 H new ATOM 0 HG SER A 74 -13.421 0.411 -2.106 1.00 0.00 H new ATOM 1218 N LEU A 75 -12.727 -2.719 -6.046 1.00 0.00 N ATOM 1219 CA LEU A 75 -13.189 -2.673 -7.427 1.00 0.00 C ATOM 1220 C LEU A 75 -14.519 -1.926 -7.542 1.00 0.00 C ATOM 1221 O LEU A 75 -15.510 -2.295 -6.910 1.00 0.00 O ATOM 1222 CB LEU A 75 -13.319 -4.094 -7.975 1.00 0.00 C ATOM 1223 CG LEU A 75 -13.894 -4.203 -9.383 1.00 0.00 C ATOM 1224 CD1 LEU A 75 -13.032 -3.452 -10.387 1.00 0.00 C ATOM 1225 CD2 LEU A 75 -14.034 -5.658 -9.789 1.00 0.00 C ATOM 0 H LEU A 75 -12.668 -3.659 -5.654 1.00 0.00 H new ATOM 0 HA LEU A 75 -12.454 -2.128 -8.020 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -12.334 -4.560 -7.966 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -13.950 -4.670 -7.298 1.00 0.00 H new ATOM 0 HG LEU A 75 -14.883 -3.745 -9.378 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -13.466 -3.547 -11.382 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -12.985 -2.399 -10.111 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -12.026 -3.871 -10.388 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -14.446 -5.717 -10.797 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -13.055 -6.137 -9.769 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -14.702 -6.167 -9.094 1.00 0.00 H new ATOM 1237 N ALA A 76 -14.530 -0.872 -8.349 1.00 0.00 N ATOM 1238 CA ALA A 76 -15.722 -0.052 -8.518 1.00 0.00 C ATOM 1239 C ALA A 76 -16.522 -0.490 -9.738 1.00 0.00 C ATOM 1240 O ALA A 76 -17.713 -0.793 -9.634 1.00 0.00 O ATOM 1241 CB ALA A 76 -15.342 1.416 -8.629 1.00 0.00 C ATOM 0 H ALA A 76 -13.726 -0.565 -8.897 1.00 0.00 H new ATOM 0 HA ALA A 76 -16.352 -0.185 -7.639 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -16.243 2.017 -8.755 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -14.822 1.727 -7.723 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -14.688 1.558 -9.489 1.00 0.00 H new ATOM 1247 N TRP A 77 -15.867 -0.526 -10.893 1.00 0.00 N ATOM 1248 CA TRP A 77 -16.527 -0.925 -12.128 1.00 0.00 C ATOM 1249 C TRP A 77 -15.568 -1.676 -13.046 1.00 0.00 C ATOM 1250 O TRP A 77 -14.374 -1.378 -13.089 1.00 0.00 O ATOM 1251 CB TRP A 77 -17.129 0.294 -12.848 1.00 0.00 C ATOM 1252 CG TRP A 77 -16.162 1.421 -13.110 1.00 0.00 C ATOM 1253 CD1 TRP A 77 -15.933 2.507 -12.310 1.00 0.00 C ATOM 1254 CD2 TRP A 77 -15.316 1.586 -14.258 1.00 0.00 C ATOM 1255 NE1 TRP A 77 -15.001 3.336 -12.890 1.00 0.00 N ATOM 1256 CE2 TRP A 77 -14.603 2.789 -14.082 1.00 0.00 C ATOM 1257 CE3 TRP A 77 -15.089 0.831 -15.415 1.00 0.00 C ATOM 1258 CZ2 TRP A 77 -13.682 3.253 -15.020 1.00 0.00 C ATOM 1259 CZ3 TRP A 77 -14.175 1.293 -16.343 1.00 0.00 C ATOM 1260 CH2 TRP A 77 -13.483 2.493 -16.142 1.00 0.00 C ATOM 0 H TRP A 77 -14.882 -0.284 -10.999 1.00 0.00 H new ATOM 0 HA TRP A 77 -17.341 -1.601 -11.867 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -17.547 -0.035 -13.800 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -17.957 0.677 -12.252 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -16.414 2.687 -11.360 1.00 0.00 H new ATOM 0 HE1 TRP A 77 -14.662 4.214 -12.497 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -15.619 -0.096 -15.579 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 -13.145 4.178 -14.868 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 -13.992 0.718 -17.239 1.00 0.00 H new ATOM 0 HH2 TRP A 77 -12.777 2.827 -16.888 1.00 0.00 H new ATOM 1271 N ALA A 78 -16.096 -2.659 -13.762 1.00 0.00 N ATOM 1272 CA ALA A 78 -15.307 -3.436 -14.707 1.00 0.00 C ATOM 1273 C ALA A 78 -16.013 -3.499 -16.060 1.00 0.00 C ATOM 1274 O ALA A 78 -17.139 -3.996 -16.157 1.00 0.00 O ATOM 1275 CB ALA A 78 -15.066 -4.840 -14.165 1.00 0.00 C ATOM 0 H ALA A 78 -17.075 -2.939 -13.705 1.00 0.00 H new ATOM 0 HA ALA A 78 -14.342 -2.947 -14.843 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -14.475 -5.410 -14.882 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -14.528 -4.777 -13.219 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -16.023 -5.338 -14.006 1.00 0.00 H new ATOM 1281 N ARG A 79 -15.356 -2.993 -17.096 1.00 0.00 N ATOM 1282 CA ARG A 79 -15.940 -2.943 -18.431 1.00 0.00 C ATOM 1283 C ARG A 79 -15.037 -3.615 -19.456 1.00 0.00 C ATOM 1284 O ARG A 79 -14.021 -3.049 -19.867 1.00 0.00 O ATOM 1285 CB ARG A 79 -16.209 -1.490 -18.831 1.00 0.00 C ATOM 1286 CG ARG A 79 -17.662 -1.070 -18.673 1.00 0.00 C ATOM 1287 CD ARG A 79 -18.526 -1.639 -19.786 1.00 0.00 C ATOM 1288 NE ARG A 79 -19.953 -1.465 -19.520 1.00 0.00 N ATOM 1289 CZ ARG A 79 -20.677 -0.421 -19.925 1.00 0.00 C ATOM 1290 NH1 ARG A 79 -20.125 0.553 -20.642 1.00 0.00 N ATOM 1291 NH2 ARG A 79 -21.967 -0.371 -19.621 1.00 0.00 N ATOM 0 H ARG A 79 -14.413 -2.609 -17.037 1.00 0.00 H new ATOM 0 HA ARG A 79 -16.883 -3.489 -18.409 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -15.583 -0.834 -18.226 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -15.910 -1.347 -19.869 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -18.038 -1.410 -17.708 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -17.731 0.018 -18.677 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -18.271 -1.151 -20.727 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -18.307 -2.700 -19.907 1.00 0.00 H new ATOM 0 HE ARG A 79 -20.428 -2.193 -18.987 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -19.136 0.507 -20.889 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -20.690 1.346 -20.945 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -22.394 -1.125 -19.084 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -22.532 0.422 -19.925 1.00 0.00 H new ATOM 1305 N ASP A 80 -15.415 -4.836 -19.841 1.00 0.00 N ATOM 1306 CA ASP A 80 -14.726 -5.608 -20.883 1.00 0.00 C ATOM 1307 C ASP A 80 -13.312 -5.989 -20.451 1.00 0.00 C ATOM 1308 O ASP A 80 -13.080 -7.088 -19.945 1.00 0.00 O ATOM 1309 CB ASP A 80 -14.678 -4.842 -22.214 1.00 0.00 C ATOM 1310 CG ASP A 80 -16.050 -4.429 -22.713 1.00 0.00 C ATOM 1311 OD1 ASP A 80 -16.852 -5.312 -23.083 1.00 0.00 O ATOM 1312 OD2 ASP A 80 -16.324 -3.211 -22.753 1.00 0.00 O ATOM 0 H ASP A 80 -16.215 -5.323 -19.436 1.00 0.00 H new ATOM 0 HA ASP A 80 -15.302 -6.522 -21.032 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -14.059 -3.953 -22.092 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -14.196 -5.465 -22.968 1.00 0.00 H new ATOM 1317 N GLY A 81 -12.375 -5.076 -20.648 1.00 0.00 N ATOM 1318 CA GLY A 81 -10.998 -5.322 -20.272 1.00 0.00 C ATOM 1319 C GLY A 81 -10.430 -4.214 -19.412 1.00 0.00 C ATOM 1320 O GLY A 81 -9.307 -4.315 -18.921 1.00 0.00 O ATOM 0 H GLY A 81 -12.545 -4.161 -21.065 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -10.935 -6.267 -19.732 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -10.392 -5.428 -21.172 1.00 0.00 H new ATOM 1324 N LEU A 82 -11.211 -3.158 -19.226 1.00 0.00 N ATOM 1325 CA LEU A 82 -10.786 -2.023 -18.421 1.00 0.00 C ATOM 1326 C LEU A 82 -11.498 -2.040 -17.079 1.00 0.00 C ATOM 1327 O LEU A 82 -12.728 -2.020 -17.019 1.00 0.00 O ATOM 1328 CB LEU A 82 -11.079 -0.706 -19.148 1.00 0.00 C ATOM 1329 CG LEU A 82 -10.254 -0.454 -20.412 1.00 0.00 C ATOM 1330 CD1 LEU A 82 -10.750 0.790 -21.135 1.00 0.00 C ATOM 1331 CD2 LEU A 82 -8.779 -0.308 -20.068 1.00 0.00 C ATOM 0 H LEU A 82 -12.146 -3.065 -19.624 1.00 0.00 H new ATOM 0 HA LEU A 82 -9.711 -2.100 -18.258 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -12.136 -0.686 -19.415 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -10.909 0.117 -18.454 1.00 0.00 H new ATOM 0 HG LEU A 82 -10.374 -1.312 -21.073 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -10.151 0.953 -22.031 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -11.795 0.655 -21.416 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -10.660 1.654 -20.476 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -8.209 -0.129 -20.980 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -8.646 0.532 -19.386 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -8.424 -1.222 -19.591 1.00 0.00 H new ATOM 1343 N LEU A 83 -10.728 -2.094 -16.008 1.00 0.00 N ATOM 1344 CA LEU A 83 -11.301 -2.134 -14.675 1.00 0.00 C ATOM 1345 C LEU A 83 -10.855 -0.926 -13.862 1.00 0.00 C ATOM 1346 O LEU A 83 -9.662 -0.625 -13.779 1.00 0.00 O ATOM 1347 CB LEU A 83 -10.921 -3.429 -13.946 1.00 0.00 C ATOM 1348 CG LEU A 83 -11.380 -4.730 -14.616 1.00 0.00 C ATOM 1349 CD1 LEU A 83 -10.365 -5.200 -15.649 1.00 0.00 C ATOM 1350 CD2 LEU A 83 -11.624 -5.807 -13.573 1.00 0.00 C ATOM 0 H LEU A 83 -9.708 -2.111 -16.034 1.00 0.00 H new ATOM 0 HA LEU A 83 -12.386 -2.107 -14.780 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -9.837 -3.460 -13.840 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -11.339 -3.393 -12.940 1.00 0.00 H new ATOM 0 HG LEU A 83 -12.318 -4.533 -15.135 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -10.715 -6.124 -16.109 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -10.246 -4.435 -16.416 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -9.406 -5.378 -15.162 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -11.949 -6.723 -14.065 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -10.702 -5.998 -13.024 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -12.397 -5.474 -12.880 1.00 0.00 H new ATOM 1362 N GLY A 84 -11.824 -0.240 -13.272 1.00 0.00 N ATOM 1363 CA GLY A 84 -11.532 0.914 -12.457 1.00 0.00 C ATOM 1364 C GLY A 84 -11.721 0.614 -10.986 1.00 0.00 C ATOM 1365 O GLY A 84 -12.817 0.249 -10.552 1.00 0.00 O ATOM 0 H GLY A 84 -12.815 -0.468 -13.347 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -10.506 1.237 -12.635 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -12.181 1.740 -12.748 1.00 0.00 H new ATOM 1369 N PHE A 85 -10.650 0.742 -10.223 1.00 0.00 N ATOM 1370 CA PHE A 85 -10.693 0.465 -8.796 1.00 0.00 C ATOM 1371 C PHE A 85 -10.637 1.760 -8.005 1.00 0.00 C ATOM 1372 O PHE A 85 -9.873 2.666 -8.340 1.00 0.00 O ATOM 1373 CB PHE A 85 -9.520 -0.425 -8.372 1.00 0.00 C ATOM 1374 CG PHE A 85 -9.444 -1.751 -9.080 1.00 0.00 C ATOM 1375 CD1 PHE A 85 -9.853 -2.913 -8.446 1.00 0.00 C ATOM 1376 CD2 PHE A 85 -8.948 -1.837 -10.371 1.00 0.00 C ATOM 1377 CE1 PHE A 85 -9.771 -4.133 -9.087 1.00 0.00 C ATOM 1378 CE2 PHE A 85 -8.868 -3.055 -11.016 1.00 0.00 C ATOM 1379 CZ PHE A 85 -9.279 -4.203 -10.373 1.00 0.00 C ATOM 0 H PHE A 85 -9.737 1.037 -10.568 1.00 0.00 H new ATOM 0 HA PHE A 85 -11.628 -0.055 -8.590 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -8.590 0.117 -8.545 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -9.589 -0.605 -7.299 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -10.240 -2.864 -7.439 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -8.620 -0.941 -10.878 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -10.092 -5.032 -8.581 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -8.484 -3.108 -12.024 1.00 0.00 H new ATOM 0 HZ PHE A 85 -9.216 -5.156 -10.876 1.00 0.00 H new ATOM 1389 N GLU A 86 -11.442 1.840 -6.959 1.00 0.00 N ATOM 1390 CA GLU A 86 -11.386 2.954 -6.033 1.00 0.00 C ATOM 1391 C GLU A 86 -10.281 2.715 -5.021 1.00 0.00 C ATOM 1392 O GLU A 86 -10.212 1.649 -4.399 1.00 0.00 O ATOM 1393 CB GLU A 86 -12.726 3.135 -5.315 1.00 0.00 C ATOM 1394 CG GLU A 86 -13.809 3.751 -6.185 1.00 0.00 C ATOM 1395 CD GLU A 86 -13.532 5.204 -6.515 1.00 0.00 C ATOM 1396 OE1 GLU A 86 -14.246 6.088 -5.988 1.00 0.00 O ATOM 1397 OE2 GLU A 86 -12.601 5.476 -7.291 1.00 0.00 O ATOM 0 H GLU A 86 -12.147 1.139 -6.730 1.00 0.00 H new ATOM 0 HA GLU A 86 -11.177 3.865 -6.594 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -13.069 2.165 -4.956 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -12.576 3.764 -4.438 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -13.895 3.182 -7.110 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -14.769 3.674 -5.674 1.00 0.00 H new ATOM 1404 N CYS A 87 -9.407 3.692 -4.877 1.00 0.00 N ATOM 1405 CA CYS A 87 -8.314 3.605 -3.927 1.00 0.00 C ATOM 1406 C CYS A 87 -8.843 3.729 -2.502 1.00 0.00 C ATOM 1407 O CYS A 87 -9.168 4.823 -2.039 1.00 0.00 O ATOM 1408 CB CYS A 87 -7.284 4.692 -4.226 1.00 0.00 C ATOM 1409 SG CYS A 87 -8.003 6.334 -4.437 1.00 0.00 S ATOM 0 H CYS A 87 -9.433 4.561 -5.410 1.00 0.00 H new ATOM 0 HA CYS A 87 -7.829 2.633 -4.022 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -6.557 4.725 -3.414 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -6.739 4.425 -5.131 1.00 0.00 H new ATOM 0 HG CYS A 87 -8.889 6.542 -3.509 1.00 0.00 H new ATOM 1415 N GLN A 88 -8.939 2.602 -1.818 1.00 0.00 N ATOM 1416 CA GLN A 88 -9.565 2.564 -0.508 1.00 0.00 C ATOM 1417 C GLN A 88 -8.564 2.903 0.589 1.00 0.00 C ATOM 1418 O GLN A 88 -8.753 3.850 1.352 1.00 0.00 O ATOM 1419 CB GLN A 88 -10.165 1.181 -0.260 1.00 0.00 C ATOM 1420 CG GLN A 88 -11.048 1.127 0.974 1.00 0.00 C ATOM 1421 CD GLN A 88 -11.633 -0.248 1.237 1.00 0.00 C ATOM 1422 OE1 GLN A 88 -11.849 -0.628 2.387 1.00 0.00 O ATOM 1423 NE2 GLN A 88 -11.916 -0.991 0.181 1.00 0.00 N ATOM 0 H GLN A 88 -8.592 1.702 -2.148 1.00 0.00 H new ATOM 0 HA GLN A 88 -10.357 3.312 -0.486 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -10.749 0.884 -1.131 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -9.359 0.455 -0.154 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -10.466 1.438 1.842 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -11.861 1.844 0.861 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -11.722 -0.640 -0.757 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -12.329 -1.916 0.304 1.00 0.00 H new ATOM 1432 N HIS A 89 -7.491 2.131 0.658 1.00 0.00 N ATOM 1433 CA HIS A 89 -6.504 2.308 1.707 1.00 0.00 C ATOM 1434 C HIS A 89 -5.110 2.477 1.115 1.00 0.00 C ATOM 1435 O HIS A 89 -4.475 1.510 0.692 1.00 0.00 O ATOM 1436 CB HIS A 89 -6.546 1.118 2.667 1.00 0.00 C ATOM 1437 CG HIS A 89 -5.663 1.266 3.864 1.00 0.00 C ATOM 1438 ND1 HIS A 89 -6.088 1.850 5.032 1.00 0.00 N ATOM 1439 CD2 HIS A 89 -4.383 0.890 4.074 1.00 0.00 C ATOM 1440 CE1 HIS A 89 -5.108 1.829 5.911 1.00 0.00 C ATOM 1441 NE2 HIS A 89 -4.060 1.252 5.356 1.00 0.00 N ATOM 0 H HIS A 89 -7.283 1.379 0.001 1.00 0.00 H new ATOM 0 HA HIS A 89 -6.742 3.215 2.263 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -7.573 0.972 3.003 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -6.257 0.218 2.125 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -3.735 0.396 3.365 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -5.155 2.219 6.917 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -3.158 1.100 5.807 1.00 0.00 H new ATOM 1450 N ILE A 90 -4.659 3.719 1.065 1.00 0.00 N ATOM 1451 CA ILE A 90 -3.310 4.030 0.623 1.00 0.00 C ATOM 1452 C ILE A 90 -2.538 4.595 1.804 1.00 0.00 C ATOM 1453 O ILE A 90 -2.845 5.686 2.279 1.00 0.00 O ATOM 1454 CB ILE A 90 -3.277 5.066 -0.531 1.00 0.00 C ATOM 1455 CG1 ILE A 90 -4.383 4.807 -1.562 1.00 0.00 C ATOM 1456 CG2 ILE A 90 -1.919 5.042 -1.215 1.00 0.00 C ATOM 1457 CD1 ILE A 90 -5.720 5.410 -1.186 1.00 0.00 C ATOM 0 H ILE A 90 -5.213 4.535 1.327 1.00 0.00 H new ATOM 0 HA ILE A 90 -2.865 3.109 0.247 1.00 0.00 H new ATOM 0 HB ILE A 90 -3.451 6.050 -0.095 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -4.071 5.210 -2.525 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -4.503 3.731 -1.690 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -1.906 5.773 -2.024 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -1.142 5.288 -0.491 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -1.734 4.048 -1.621 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -6.452 5.186 -1.962 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -6.056 4.989 -0.238 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -5.617 6.491 -1.086 1.00 0.00 H new ATOM 1469 N ASP A 91 -1.566 3.845 2.300 1.00 0.00 N ATOM 1470 CA ASP A 91 -0.823 4.270 3.483 1.00 0.00 C ATOM 1471 C ASP A 91 0.225 5.312 3.111 1.00 0.00 C ATOM 1472 O ASP A 91 0.507 5.533 1.929 1.00 0.00 O ATOM 1473 CB ASP A 91 -0.153 3.079 4.169 1.00 0.00 C ATOM 1474 CG ASP A 91 1.014 2.550 3.375 1.00 0.00 C ATOM 1475 OD1 ASP A 91 0.801 2.137 2.223 1.00 0.00 O ATOM 1476 OD2 ASP A 91 2.150 2.545 3.897 1.00 0.00 O ATOM 0 H ASP A 91 -1.273 2.949 1.910 1.00 0.00 H new ATOM 0 HA ASP A 91 -1.533 4.715 4.180 1.00 0.00 H new ATOM 0 HB2 ASP A 91 0.189 3.377 5.160 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -0.885 2.284 4.310 1.00 0.00 H new ATOM 1481 N LEU A 92 0.810 5.936 4.125 1.00 0.00 N ATOM 1482 CA LEU A 92 1.739 7.039 3.917 1.00 0.00 C ATOM 1483 C LEU A 92 2.996 6.616 3.158 1.00 0.00 C ATOM 1484 O LEU A 92 3.551 7.400 2.388 1.00 0.00 O ATOM 1485 CB LEU A 92 2.106 7.692 5.253 1.00 0.00 C ATOM 1486 CG LEU A 92 2.321 6.747 6.443 1.00 0.00 C ATOM 1487 CD1 LEU A 92 3.683 6.080 6.387 1.00 0.00 C ATOM 1488 CD2 LEU A 92 2.154 7.500 7.751 1.00 0.00 C ATOM 0 H LEU A 92 0.657 5.696 5.104 1.00 0.00 H new ATOM 0 HA LEU A 92 1.227 7.771 3.292 1.00 0.00 H new ATOM 0 HB2 LEU A 92 3.017 8.272 5.110 1.00 0.00 H new ATOM 0 HB3 LEU A 92 1.317 8.397 5.516 1.00 0.00 H new ATOM 0 HG LEU A 92 1.566 5.963 6.386 1.00 0.00 H new ATOM 0 HD11 LEU A 92 3.800 5.418 7.245 1.00 0.00 H new ATOM 0 HD12 LEU A 92 3.767 5.500 5.468 1.00 0.00 H new ATOM 0 HD13 LEU A 92 4.462 6.842 6.408 1.00 0.00 H new ATOM 0 HD21 LEU A 92 2.309 6.817 8.586 1.00 0.00 H new ATOM 0 HD22 LEU A 92 2.884 8.307 7.802 1.00 0.00 H new ATOM 0 HD23 LEU A 92 1.148 7.917 7.805 1.00 0.00 H new ATOM 1500 N ASP A 93 3.435 5.379 3.356 1.00 0.00 N ATOM 1501 CA ASP A 93 4.639 4.897 2.691 1.00 0.00 C ATOM 1502 C ASP A 93 4.360 4.699 1.210 1.00 0.00 C ATOM 1503 O ASP A 93 5.206 4.975 0.358 1.00 0.00 O ATOM 1504 CB ASP A 93 5.133 3.593 3.320 1.00 0.00 C ATOM 1505 CG ASP A 93 6.434 3.114 2.704 1.00 0.00 C ATOM 1506 OD1 ASP A 93 7.494 3.713 2.999 1.00 0.00 O ATOM 1507 OD2 ASP A 93 6.412 2.133 1.931 1.00 0.00 O ATOM 0 H ASP A 93 2.981 4.698 3.965 1.00 0.00 H new ATOM 0 HA ASP A 93 5.424 5.643 2.813 1.00 0.00 H new ATOM 0 HB2 ASP A 93 5.273 3.739 4.391 1.00 0.00 H new ATOM 0 HB3 ASP A 93 4.371 2.823 3.200 1.00 0.00 H new ATOM 1512 N SER A 94 3.145 4.266 0.914 1.00 0.00 N ATOM 1513 CA SER A 94 2.723 4.061 -0.459 1.00 0.00 C ATOM 1514 C SER A 94 2.641 5.408 -1.169 1.00 0.00 C ATOM 1515 O SER A 94 3.174 5.577 -2.266 1.00 0.00 O ATOM 1516 CB SER A 94 1.368 3.348 -0.494 1.00 0.00 C ATOM 1517 OG SER A 94 1.012 2.975 -1.812 1.00 0.00 O ATOM 0 H SER A 94 2.432 4.049 1.611 1.00 0.00 H new ATOM 0 HA SER A 94 3.450 3.433 -0.973 1.00 0.00 H new ATOM 0 HB2 SER A 94 1.406 2.461 0.139 1.00 0.00 H new ATOM 0 HB3 SER A 94 0.601 4.002 -0.080 1.00 0.00 H new ATOM 0 HG SER A 94 0.601 2.085 -1.801 1.00 0.00 H new ATOM 1523 N ILE A 95 2.005 6.372 -0.509 1.00 0.00 N ATOM 1524 CA ILE A 95 1.863 7.720 -1.049 1.00 0.00 C ATOM 1525 C ILE A 95 3.229 8.363 -1.280 1.00 0.00 C ATOM 1526 O ILE A 95 3.456 9.003 -2.308 1.00 0.00 O ATOM 1527 CB ILE A 95 1.030 8.620 -0.106 1.00 0.00 C ATOM 1528 CG1 ILE A 95 -0.358 8.013 0.117 1.00 0.00 C ATOM 1529 CG2 ILE A 95 0.911 10.028 -0.674 1.00 0.00 C ATOM 1530 CD1 ILE A 95 -1.211 8.781 1.110 1.00 0.00 C ATOM 0 H ILE A 95 1.577 6.242 0.408 1.00 0.00 H new ATOM 0 HA ILE A 95 1.342 7.629 -2.002 1.00 0.00 H new ATOM 0 HB ILE A 95 1.542 8.682 0.854 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -0.882 7.967 -0.838 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -0.244 6.987 0.468 1.00 0.00 H new ATOM 0 HG21 ILE A 95 0.322 10.645 0.004 1.00 0.00 H new ATOM 0 HG22 ILE A 95 1.905 10.460 -0.786 1.00 0.00 H new ATOM 0 HG23 ILE A 95 0.421 9.988 -1.647 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -2.179 8.290 1.215 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -0.710 8.805 2.078 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -1.358 9.800 0.752 1.00 0.00 H new ATOM 1542 N SER A 96 4.139 8.173 -0.328 1.00 0.00 N ATOM 1543 CA SER A 96 5.477 8.744 -0.421 1.00 0.00 C ATOM 1544 C SER A 96 6.195 8.225 -1.669 1.00 0.00 C ATOM 1545 O SER A 96 6.683 9.014 -2.483 1.00 0.00 O ATOM 1546 CB SER A 96 6.282 8.416 0.841 1.00 0.00 C ATOM 1547 OG SER A 96 7.495 9.154 0.892 1.00 0.00 O ATOM 0 H SER A 96 3.972 7.627 0.517 1.00 0.00 H new ATOM 0 HA SER A 96 5.389 9.827 -0.503 1.00 0.00 H new ATOM 0 HB2 SER A 96 5.683 8.638 1.724 1.00 0.00 H new ATOM 0 HB3 SER A 96 6.503 7.349 0.866 1.00 0.00 H new ATOM 0 HG SER A 96 7.984 8.923 1.709 1.00 0.00 H new ATOM 1553 N HIS A 97 6.230 6.902 -1.836 1.00 0.00 N ATOM 1554 CA HIS A 97 6.860 6.304 -3.016 1.00 0.00 C ATOM 1555 C HIS A 97 6.142 6.748 -4.289 1.00 0.00 C ATOM 1556 O HIS A 97 6.775 7.162 -5.262 1.00 0.00 O ATOM 1557 CB HIS A 97 6.840 4.769 -2.953 1.00 0.00 C ATOM 1558 CG HIS A 97 7.685 4.156 -1.874 1.00 0.00 C ATOM 1559 ND1 HIS A 97 9.045 4.348 -1.768 1.00 0.00 N ATOM 1560 CD2 HIS A 97 7.350 3.315 -0.864 1.00 0.00 C ATOM 1561 CE1 HIS A 97 9.507 3.651 -0.745 1.00 0.00 C ATOM 1562 NE2 HIS A 97 8.500 3.015 -0.180 1.00 0.00 N ATOM 0 H HIS A 97 5.835 6.230 -1.178 1.00 0.00 H new ATOM 0 HA HIS A 97 7.895 6.644 -3.031 1.00 0.00 H new ATOM 0 HB2 HIS A 97 5.810 4.442 -2.814 1.00 0.00 H new ATOM 0 HB3 HIS A 97 7.171 4.379 -3.915 1.00 0.00 H new ATOM 0 HD2 HIS A 97 6.359 2.949 -0.640 1.00 0.00 H new ATOM 0 HE1 HIS A 97 10.538 3.609 -0.425 1.00 0.00 H new ATOM 0 HE2 HIS A 97 8.565 2.401 0.632 1.00 0.00 H new ATOM 1571 N LEU A 98 4.816 6.667 -4.261 1.00 0.00 N ATOM 1572 CA LEU A 98 3.991 6.933 -5.433 1.00 0.00 C ATOM 1573 C LEU A 98 4.149 8.368 -5.929 1.00 0.00 C ATOM 1574 O LEU A 98 4.502 8.593 -7.087 1.00 0.00 O ATOM 1575 CB LEU A 98 2.519 6.653 -5.112 1.00 0.00 C ATOM 1576 CG LEU A 98 1.555 6.791 -6.290 1.00 0.00 C ATOM 1577 CD1 LEU A 98 1.857 5.748 -7.354 1.00 0.00 C ATOM 1578 CD2 LEU A 98 0.118 6.669 -5.813 1.00 0.00 C ATOM 0 H LEU A 98 4.284 6.416 -3.427 1.00 0.00 H new ATOM 0 HA LEU A 98 4.328 6.269 -6.229 1.00 0.00 H new ATOM 0 HB2 LEU A 98 2.437 5.642 -4.714 1.00 0.00 H new ATOM 0 HB3 LEU A 98 2.201 7.333 -4.322 1.00 0.00 H new ATOM 0 HG LEU A 98 1.689 7.778 -6.733 1.00 0.00 H new ATOM 0 HD11 LEU A 98 1.160 5.863 -8.184 1.00 0.00 H new ATOM 0 HD12 LEU A 98 2.877 5.881 -7.715 1.00 0.00 H new ATOM 0 HD13 LEU A 98 1.751 4.751 -6.927 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -0.557 6.769 -6.663 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -0.029 5.695 -5.346 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -0.093 7.455 -5.088 1.00 0.00 H new ATOM 1590 N ARG A 99 3.905 9.339 -5.055 1.00 0.00 N ATOM 1591 CA ARG A 99 3.903 10.735 -5.470 1.00 0.00 C ATOM 1592 C ARG A 99 5.297 11.181 -5.900 1.00 0.00 C ATOM 1593 O ARG A 99 5.443 11.923 -6.869 1.00 0.00 O ATOM 1594 CB ARG A 99 3.385 11.643 -4.355 1.00 0.00 C ATOM 1595 CG ARG A 99 3.111 13.065 -4.825 1.00 0.00 C ATOM 1596 CD ARG A 99 2.682 13.973 -3.684 1.00 0.00 C ATOM 1597 NE ARG A 99 2.307 15.308 -4.154 1.00 0.00 N ATOM 1598 CZ ARG A 99 3.026 16.409 -3.929 1.00 0.00 C ATOM 1599 NH1 ARG A 99 4.198 16.327 -3.316 1.00 0.00 N ATOM 1600 NH2 ARG A 99 2.589 17.589 -4.347 1.00 0.00 N ATOM 0 H ARG A 99 3.708 9.187 -4.066 1.00 0.00 H new ATOM 0 HA ARG A 99 3.231 10.819 -6.324 1.00 0.00 H new ATOM 0 HB2 ARG A 99 2.469 11.219 -3.945 1.00 0.00 H new ATOM 0 HB3 ARG A 99 4.115 11.668 -3.546 1.00 0.00 H new ATOM 0 HG2 ARG A 99 4.008 13.471 -5.293 1.00 0.00 H new ATOM 0 HG3 ARG A 99 2.333 13.050 -5.588 1.00 0.00 H new ATOM 0 HD2 ARG A 99 1.838 13.523 -3.161 1.00 0.00 H new ATOM 0 HD3 ARG A 99 3.495 14.058 -2.963 1.00 0.00 H new ATOM 0 HE ARG A 99 1.442 15.402 -4.687 1.00 0.00 H new ATOM 0 HH11 ARG A 99 4.553 15.420 -3.014 1.00 0.00 H new ATOM 0 HH12 ARG A 99 4.745 17.171 -3.146 1.00 0.00 H new ATOM 0 HH21 ARG A 99 1.700 17.657 -4.843 1.00 0.00 H new ATOM 0 HH22 ARG A 99 3.142 18.428 -4.173 1.00 0.00 H new ATOM 1614 N ARG A 100 6.324 10.718 -5.195 1.00 0.00 N ATOM 1615 CA ARG A 100 7.690 11.092 -5.528 1.00 0.00 C ATOM 1616 C ARG A 100 8.122 10.488 -6.855 1.00 0.00 C ATOM 1617 O ARG A 100 8.978 11.036 -7.539 1.00 0.00 O ATOM 1618 CB ARG A 100 8.659 10.691 -4.420 1.00 0.00 C ATOM 1619 CG ARG A 100 8.767 11.729 -3.320 1.00 0.00 C ATOM 1620 CD ARG A 100 9.791 11.325 -2.280 1.00 0.00 C ATOM 1621 NE ARG A 100 10.178 12.452 -1.436 1.00 0.00 N ATOM 1622 CZ ARG A 100 10.522 12.339 -0.160 1.00 0.00 C ATOM 1623 NH1 ARG A 100 10.400 11.175 0.467 1.00 0.00 N ATOM 1624 NH2 ARG A 100 10.956 13.402 0.502 1.00 0.00 N ATOM 0 H ARG A 100 6.236 10.089 -4.397 1.00 0.00 H new ATOM 0 HA ARG A 100 7.713 12.177 -5.626 1.00 0.00 H new ATOM 0 HB2 ARG A 100 8.335 9.744 -3.988 1.00 0.00 H new ATOM 0 HB3 ARG A 100 9.646 10.524 -4.852 1.00 0.00 H new ATOM 0 HG2 ARG A 100 9.044 12.691 -3.751 1.00 0.00 H new ATOM 0 HG3 ARG A 100 7.795 11.860 -2.844 1.00 0.00 H new ATOM 0 HD2 ARG A 100 9.383 10.528 -1.658 1.00 0.00 H new ATOM 0 HD3 ARG A 100 10.674 10.922 -2.776 1.00 0.00 H new ATOM 0 HE ARG A 100 10.184 13.383 -1.853 1.00 0.00 H new ATOM 0 HH11 ARG A 100 10.040 10.362 -0.033 1.00 0.00 H new ATOM 0 HH12 ARG A 100 10.666 11.094 1.448 1.00 0.00 H new ATOM 0 HH21 ARG A 100 11.025 14.304 0.030 1.00 0.00 H new ATOM 0 HH22 ARG A 100 11.221 13.318 1.483 1.00 0.00 H new ATOM 1638 N LEU A 101 7.521 9.366 -7.225 1.00 0.00 N ATOM 1639 CA LEU A 101 7.801 8.757 -8.515 1.00 0.00 C ATOM 1640 C LEU A 101 7.254 9.646 -9.631 1.00 0.00 C ATOM 1641 O LEU A 101 7.891 9.830 -10.671 1.00 0.00 O ATOM 1642 CB LEU A 101 7.196 7.352 -8.583 1.00 0.00 C ATOM 1643 CG LEU A 101 7.551 6.540 -9.831 1.00 0.00 C ATOM 1644 CD1 LEU A 101 9.059 6.416 -9.983 1.00 0.00 C ATOM 1645 CD2 LEU A 101 6.915 5.161 -9.756 1.00 0.00 C ATOM 0 H LEU A 101 6.842 8.863 -6.654 1.00 0.00 H new ATOM 0 HA LEU A 101 8.879 8.662 -8.643 1.00 0.00 H new ATOM 0 HB2 LEU A 101 7.519 6.794 -7.704 1.00 0.00 H new ATOM 0 HB3 LEU A 101 6.111 7.440 -8.525 1.00 0.00 H new ATOM 0 HG LEU A 101 7.161 7.063 -10.704 1.00 0.00 H new ATOM 0 HD11 LEU A 101 9.288 5.835 -10.876 1.00 0.00 H new ATOM 0 HD12 LEU A 101 9.498 7.409 -10.073 1.00 0.00 H new ATOM 0 HD13 LEU A 101 9.473 5.914 -9.108 1.00 0.00 H new ATOM 0 HD21 LEU A 101 7.174 4.592 -10.649 1.00 0.00 H new ATOM 0 HD22 LEU A 101 7.283 4.638 -8.873 1.00 0.00 H new ATOM 0 HD23 LEU A 101 5.832 5.263 -9.692 1.00 0.00 H new ATOM 1657 N VAL A 102 6.076 10.218 -9.395 1.00 0.00 N ATOM 1658 CA VAL A 102 5.501 11.191 -10.316 1.00 0.00 C ATOM 1659 C VAL A 102 6.340 12.466 -10.320 1.00 0.00 C ATOM 1660 O VAL A 102 6.580 13.067 -11.369 1.00 0.00 O ATOM 1661 CB VAL A 102 4.046 11.550 -9.932 1.00 0.00 C ATOM 1662 CG1 VAL A 102 3.456 12.552 -10.911 1.00 0.00 C ATOM 1663 CG2 VAL A 102 3.178 10.303 -9.859 1.00 0.00 C ATOM 0 H VAL A 102 5.502 10.024 -8.574 1.00 0.00 H new ATOM 0 HA VAL A 102 5.497 10.739 -11.308 1.00 0.00 H new ATOM 0 HB VAL A 102 4.067 12.010 -8.944 1.00 0.00 H new ATOM 0 HG11 VAL A 102 2.433 12.787 -10.618 1.00 0.00 H new ATOM 0 HG12 VAL A 102 4.054 13.463 -10.904 1.00 0.00 H new ATOM 0 HG13 VAL A 102 3.457 12.125 -11.914 1.00 0.00 H new ATOM 0 HG21 VAL A 102 2.160 10.583 -9.587 1.00 0.00 H new ATOM 0 HG22 VAL A 102 3.171 9.807 -10.830 1.00 0.00 H new ATOM 0 HG23 VAL A 102 3.580 9.623 -9.108 1.00 0.00 H new ATOM 1673 N GLU A 103 6.790 12.857 -9.134 1.00 0.00 N ATOM 1674 CA GLU A 103 7.596 14.059 -8.955 1.00 0.00 C ATOM 1675 C GLU A 103 8.921 13.949 -9.713 1.00 0.00 C ATOM 1676 O GLU A 103 9.362 14.904 -10.349 1.00 0.00 O ATOM 1677 CB GLU A 103 7.844 14.288 -7.461 1.00 0.00 C ATOM 1678 CG GLU A 103 8.487 15.624 -7.130 1.00 0.00 C ATOM 1679 CD GLU A 103 8.642 15.837 -5.639 1.00 0.00 C ATOM 1680 OE1 GLU A 103 9.728 15.536 -5.102 1.00 0.00 O ATOM 1681 OE2 GLU A 103 7.675 16.297 -4.993 1.00 0.00 O ATOM 0 H GLU A 103 6.606 12.350 -8.268 1.00 0.00 H new ATOM 0 HA GLU A 103 7.054 14.912 -9.363 1.00 0.00 H new ATOM 0 HB2 GLU A 103 6.894 14.215 -6.932 1.00 0.00 H new ATOM 0 HB3 GLU A 103 8.481 13.488 -7.084 1.00 0.00 H new ATOM 0 HG2 GLU A 103 9.466 15.681 -7.606 1.00 0.00 H new ATOM 0 HG3 GLU A 103 7.882 16.429 -7.548 1.00 0.00 H new ATOM 1688 N LEU A 104 9.540 12.774 -9.655 1.00 0.00 N ATOM 1689 CA LEU A 104 10.801 12.526 -10.352 1.00 0.00 C ATOM 1690 C LEU A 104 10.635 12.657 -11.864 1.00 0.00 C ATOM 1691 O LEU A 104 11.534 13.125 -12.561 1.00 0.00 O ATOM 1692 CB LEU A 104 11.332 11.130 -10.016 1.00 0.00 C ATOM 1693 CG LEU A 104 11.843 10.949 -8.587 1.00 0.00 C ATOM 1694 CD1 LEU A 104 12.240 9.499 -8.343 1.00 0.00 C ATOM 1695 CD2 LEU A 104 13.019 11.874 -8.331 1.00 0.00 C ATOM 0 H LEU A 104 9.188 11.974 -9.130 1.00 0.00 H new ATOM 0 HA LEU A 104 11.516 13.277 -10.015 1.00 0.00 H new ATOM 0 HB2 LEU A 104 10.538 10.405 -10.194 1.00 0.00 H new ATOM 0 HB3 LEU A 104 12.141 10.892 -10.706 1.00 0.00 H new ATOM 0 HG LEU A 104 11.042 11.205 -7.894 1.00 0.00 H new ATOM 0 HD11 LEU A 104 12.602 9.388 -7.321 1.00 0.00 H new ATOM 0 HD12 LEU A 104 11.374 8.854 -8.494 1.00 0.00 H new ATOM 0 HD13 LEU A 104 13.029 9.216 -9.040 1.00 0.00 H new ATOM 0 HD21 LEU A 104 13.375 11.736 -7.310 1.00 0.00 H new ATOM 0 HD22 LEU A 104 13.823 11.642 -9.030 1.00 0.00 H new ATOM 0 HD23 LEU A 104 12.705 12.909 -8.469 1.00 0.00 H new ATOM 1707 N ASN A 105 9.480 12.246 -12.369 1.00 0.00 N ATOM 1708 CA ASN A 105 9.221 12.295 -13.805 1.00 0.00 C ATOM 1709 C ASN A 105 8.519 13.591 -14.192 1.00 0.00 C ATOM 1710 O ASN A 105 8.178 13.790 -15.359 1.00 0.00 O ATOM 1711 CB ASN A 105 8.386 11.088 -14.255 1.00 0.00 C ATOM 1712 CG ASN A 105 9.163 9.785 -14.198 1.00 0.00 C ATOM 1713 OD1 ASN A 105 9.857 9.422 -15.146 1.00 0.00 O ATOM 1714 ND2 ASN A 105 9.048 9.067 -13.090 1.00 0.00 N ATOM 0 H ASN A 105 8.710 11.877 -11.811 1.00 0.00 H new ATOM 0 HA ASN A 105 10.185 12.259 -14.313 1.00 0.00 H new ATOM 0 HB2 ASN A 105 7.502 11.007 -13.623 1.00 0.00 H new ATOM 0 HB3 ASN A 105 8.036 11.253 -15.274 1.00 0.00 H new ATOM 0 HD21 ASN A 105 9.545 8.180 -13.003 1.00 0.00 H new ATOM 0 HD22 ASN A 105 8.463 9.401 -12.324 1.00 0.00 H new ATOM 1721 N LEU A 106 8.314 14.465 -13.203 1.00 0.00 N ATOM 1722 CA LEU A 106 7.660 15.759 -13.415 1.00 0.00 C ATOM 1723 C LEU A 106 6.282 15.578 -14.050 1.00 0.00 C ATOM 1724 O LEU A 106 5.860 16.373 -14.887 1.00 0.00 O ATOM 1725 CB LEU A 106 8.539 16.667 -14.286 1.00 0.00 C ATOM 1726 CG LEU A 106 9.907 17.013 -13.690 1.00 0.00 C ATOM 1727 CD1 LEU A 106 10.717 17.858 -14.663 1.00 0.00 C ATOM 1728 CD2 LEU A 106 9.745 17.735 -12.361 1.00 0.00 C ATOM 0 H LEU A 106 8.595 14.297 -12.237 1.00 0.00 H new ATOM 0 HA LEU A 106 7.524 16.234 -12.443 1.00 0.00 H new ATOM 0 HB2 LEU A 106 8.692 16.182 -15.250 1.00 0.00 H new ATOM 0 HB3 LEU A 106 7.999 17.594 -14.478 1.00 0.00 H new ATOM 0 HG LEU A 106 10.447 16.083 -13.511 1.00 0.00 H new ATOM 0 HD11 LEU A 106 11.685 18.093 -14.222 1.00 0.00 H new ATOM 0 HD12 LEU A 106 10.866 17.304 -15.590 1.00 0.00 H new ATOM 0 HD13 LEU A 106 10.181 18.783 -14.876 1.00 0.00 H new ATOM 0 HD21 LEU A 106 10.728 17.972 -11.954 1.00 0.00 H new ATOM 0 HD22 LEU A 106 9.183 18.657 -12.514 1.00 0.00 H new ATOM 0 HD23 LEU A 106 9.208 17.094 -11.662 1.00 0.00 H new ATOM 1740 N GLY A 107 5.580 14.534 -13.624 1.00 0.00 N ATOM 1741 CA GLY A 107 4.285 14.220 -14.199 1.00 0.00 C ATOM 1742 C GLY A 107 3.234 15.271 -13.898 1.00 0.00 C ATOM 1743 O GLY A 107 2.302 15.451 -14.680 1.00 0.00 O ATOM 0 H GLY A 107 5.886 13.897 -12.888 1.00 0.00 H new ATOM 0 HA2 GLY A 107 4.388 14.116 -15.279 1.00 0.00 H new ATOM 0 HA3 GLY A 107 3.948 13.257 -13.817 1.00 0.00 H new ATOM 1747 N ASP A 108 3.407 15.962 -12.770 1.00 0.00 N ATOM 1748 CA ASP A 108 2.453 16.967 -12.289 1.00 0.00 C ATOM 1749 C ASP A 108 1.176 16.295 -11.788 1.00 0.00 C ATOM 1750 O ASP A 108 0.789 15.226 -12.262 1.00 0.00 O ATOM 1751 CB ASP A 108 2.128 18.005 -13.369 1.00 0.00 C ATOM 1752 CG ASP A 108 1.285 19.145 -12.835 1.00 0.00 C ATOM 1753 OD1 ASP A 108 0.050 19.018 -12.810 1.00 0.00 O ATOM 1754 OD2 ASP A 108 1.856 20.175 -12.420 1.00 0.00 O ATOM 0 H ASP A 108 4.216 15.841 -12.161 1.00 0.00 H new ATOM 0 HA ASP A 108 2.922 17.495 -11.459 1.00 0.00 H new ATOM 0 HB2 ASP A 108 3.056 18.403 -13.778 1.00 0.00 H new ATOM 0 HB3 ASP A 108 1.600 17.519 -14.190 1.00 0.00 H new ATOM 1759 N GLU A 109 0.520 16.922 -10.827 1.00 0.00 N ATOM 1760 CA GLU A 109 -0.617 16.301 -10.175 1.00 0.00 C ATOM 1761 C GLU A 109 -1.932 16.560 -10.909 1.00 0.00 C ATOM 1762 O GLU A 109 -2.964 16.054 -10.493 1.00 0.00 O ATOM 1763 CB GLU A 109 -0.716 16.758 -8.719 1.00 0.00 C ATOM 1764 CG GLU A 109 0.421 16.240 -7.850 1.00 0.00 C ATOM 1765 CD GLU A 109 0.339 16.723 -6.418 1.00 0.00 C ATOM 1766 OE1 GLU A 109 0.021 15.910 -5.525 1.00 0.00 O ATOM 1767 OE2 GLU A 109 0.609 17.917 -6.173 1.00 0.00 O ATOM 0 H GLU A 109 0.754 17.854 -10.484 1.00 0.00 H new ATOM 0 HA GLU A 109 -0.447 15.225 -10.202 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -0.722 17.847 -8.686 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -1.665 16.421 -8.303 1.00 0.00 H new ATOM 0 HG2 GLU A 109 0.412 15.150 -7.861 1.00 0.00 H new ATOM 0 HG3 GLU A 109 1.372 16.555 -8.280 1.00 0.00 H new ATOM 1774 N GLU A 110 -1.909 17.325 -12.005 1.00 0.00 N ATOM 1775 CA GLU A 110 -3.113 17.497 -12.828 1.00 0.00 C ATOM 1776 C GLU A 110 -3.623 16.142 -13.278 1.00 0.00 C ATOM 1777 O GLU A 110 -4.820 15.855 -13.224 1.00 0.00 O ATOM 1778 CB GLU A 110 -2.846 18.356 -14.065 1.00 0.00 C ATOM 1779 CG GLU A 110 -2.753 19.844 -13.793 1.00 0.00 C ATOM 1780 CD GLU A 110 -2.710 20.644 -15.074 1.00 0.00 C ATOM 1781 OE1 GLU A 110 -1.611 20.799 -15.647 1.00 0.00 O ATOM 1782 OE2 GLU A 110 -3.782 21.104 -15.523 1.00 0.00 O ATOM 0 H GLU A 110 -1.087 17.827 -12.340 1.00 0.00 H new ATOM 0 HA GLU A 110 -3.856 18.004 -12.213 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -1.915 18.026 -14.526 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -3.641 18.182 -14.790 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -3.609 20.159 -13.196 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -1.859 20.051 -13.204 1.00 0.00 H new ATOM 1789 N LEU A 111 -2.687 15.301 -13.698 1.00 0.00 N ATOM 1790 CA LEU A 111 -2.993 13.950 -14.137 1.00 0.00 C ATOM 1791 C LEU A 111 -3.578 13.150 -12.979 1.00 0.00 C ATOM 1792 O LEU A 111 -4.426 12.276 -13.170 1.00 0.00 O ATOM 1793 CB LEU A 111 -1.719 13.269 -14.649 1.00 0.00 C ATOM 1794 CG LEU A 111 -0.927 14.064 -15.692 1.00 0.00 C ATOM 1795 CD1 LEU A 111 0.382 13.366 -16.018 1.00 0.00 C ATOM 1796 CD2 LEU A 111 -1.751 14.262 -16.953 1.00 0.00 C ATOM 0 H LEU A 111 -1.696 15.538 -13.743 1.00 0.00 H new ATOM 0 HA LEU A 111 -3.723 13.994 -14.945 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -1.068 13.067 -13.799 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -1.990 12.305 -15.079 1.00 0.00 H new ATOM 0 HG LEU A 111 -0.699 15.044 -15.272 1.00 0.00 H new ATOM 0 HD11 LEU A 111 0.929 13.947 -16.761 1.00 0.00 H new ATOM 0 HD12 LEU A 111 0.982 13.277 -15.113 1.00 0.00 H new ATOM 0 HD13 LEU A 111 0.175 12.372 -16.415 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -1.171 14.829 -17.681 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -2.012 13.291 -17.373 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -2.662 14.809 -16.710 1.00 0.00 H new ATOM 1808 N LEU A 112 -3.142 13.490 -11.775 1.00 0.00 N ATOM 1809 CA LEU A 112 -3.529 12.767 -10.577 1.00 0.00 C ATOM 1810 C LEU A 112 -4.727 13.410 -9.884 1.00 0.00 C ATOM 1811 O LEU A 112 -5.161 12.923 -8.845 1.00 0.00 O ATOM 1812 CB LEU A 112 -2.356 12.714 -9.597 1.00 0.00 C ATOM 1813 CG LEU A 112 -1.109 11.990 -10.105 1.00 0.00 C ATOM 1814 CD1 LEU A 112 0.026 12.130 -9.106 1.00 0.00 C ATOM 1815 CD2 LEU A 112 -1.412 10.520 -10.362 1.00 0.00 C ATOM 0 H LEU A 112 -2.512 14.273 -11.603 1.00 0.00 H new ATOM 0 HA LEU A 112 -3.812 11.760 -10.884 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -2.080 13.735 -9.332 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -2.691 12.226 -8.682 1.00 0.00 H new ATOM 0 HG LEU A 112 -0.803 12.448 -11.046 1.00 0.00 H new ATOM 0 HD11 LEU A 112 0.907 11.610 -9.481 1.00 0.00 H new ATOM 0 HD12 LEU A 112 0.260 13.185 -8.967 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -0.273 11.696 -8.152 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -0.513 10.021 -10.723 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -1.741 10.049 -9.436 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -2.199 10.436 -11.111 1.00 0.00 H new ATOM 1827 N GLU A 113 -5.270 14.485 -10.452 1.00 0.00 N ATOM 1828 CA GLU A 113 -6.354 15.220 -9.791 1.00 0.00 C ATOM 1829 C GLU A 113 -7.536 15.502 -10.721 1.00 0.00 C ATOM 1830 O GLU A 113 -8.258 16.482 -10.527 1.00 0.00 O ATOM 1831 CB GLU A 113 -5.834 16.540 -9.206 1.00 0.00 C ATOM 1832 CG GLU A 113 -4.832 16.362 -8.073 1.00 0.00 C ATOM 1833 CD GLU A 113 -4.390 17.680 -7.467 1.00 0.00 C ATOM 1834 OE1 GLU A 113 -3.395 18.264 -7.951 1.00 0.00 O ATOM 1835 OE2 GLU A 113 -5.033 18.138 -6.503 1.00 0.00 O ATOM 0 H GLU A 113 -4.985 14.865 -11.355 1.00 0.00 H new ATOM 0 HA GLU A 113 -6.716 14.576 -8.989 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -5.368 17.120 -10.002 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -6.680 17.122 -8.841 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -5.276 15.741 -7.295 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -3.958 15.828 -8.447 1.00 0.00 H new ATOM 1842 N ARG A 114 -7.752 14.648 -11.720 1.00 0.00 N ATOM 1843 CA ARG A 114 -8.944 14.765 -12.555 1.00 0.00 C ATOM 1844 C ARG A 114 -10.142 14.180 -11.806 1.00 0.00 C ATOM 1845 O ARG A 114 -10.768 14.848 -10.987 1.00 0.00 O ATOM 1846 CB ARG A 114 -8.789 14.018 -13.886 1.00 0.00 C ATOM 1847 CG ARG A 114 -7.461 14.212 -14.596 1.00 0.00 C ATOM 1848 CD ARG A 114 -7.468 13.500 -15.942 1.00 0.00 C ATOM 1849 NE ARG A 114 -6.122 13.252 -16.458 1.00 0.00 N ATOM 1850 CZ ARG A 114 -5.772 13.420 -17.738 1.00 0.00 C ATOM 1851 NH1 ARG A 114 -6.659 13.846 -18.629 1.00 0.00 N ATOM 1852 NH2 ARG A 114 -4.535 13.154 -18.128 1.00 0.00 N ATOM 0 H ARG A 114 -7.128 13.880 -11.968 1.00 0.00 H new ATOM 0 HA ARG A 114 -9.093 15.823 -12.771 1.00 0.00 H new ATOM 0 HB2 ARG A 114 -8.931 12.953 -13.703 1.00 0.00 H new ATOM 0 HB3 ARG A 114 -9.588 14.335 -14.556 1.00 0.00 H new ATOM 0 HG2 ARG A 114 -7.271 15.275 -14.741 1.00 0.00 H new ATOM 0 HG3 ARG A 114 -6.651 13.825 -13.977 1.00 0.00 H new ATOM 0 HD2 ARG A 114 -7.995 12.551 -15.843 1.00 0.00 H new ATOM 0 HD3 ARG A 114 -8.024 14.100 -16.663 1.00 0.00 H new ATOM 0 HE ARG A 114 -5.408 12.932 -15.803 1.00 0.00 H new ATOM 0 HH11 ARG A 114 -7.616 14.048 -18.340 1.00 0.00 H new ATOM 0 HH12 ARG A 114 -6.384 13.971 -19.603 1.00 0.00 H new ATOM 0 HH21 ARG A 114 -3.848 12.821 -17.452 1.00 0.00 H new ATOM 0 HH22 ARG A 114 -4.269 13.282 -19.104 1.00 0.00 H new ATOM 1866 N GLU A 115 -10.422 12.915 -12.106 1.00 0.00 N ATOM 1867 CA GLU A 115 -11.418 12.100 -11.416 1.00 0.00 C ATOM 1868 C GLU A 115 -11.314 10.694 -11.980 1.00 0.00 C ATOM 1869 O GLU A 115 -10.615 10.498 -12.970 1.00 0.00 O ATOM 1870 CB GLU A 115 -12.840 12.642 -11.593 1.00 0.00 C ATOM 1871 CG GLU A 115 -13.386 13.328 -10.353 1.00 0.00 C ATOM 1872 CD GLU A 115 -13.388 12.412 -9.148 1.00 0.00 C ATOM 1873 OE1 GLU A 115 -14.351 11.636 -8.993 1.00 0.00 O ATOM 1874 OE2 GLU A 115 -12.422 12.455 -8.358 1.00 0.00 O ATOM 0 H GLU A 115 -9.949 12.414 -12.858 1.00 0.00 H new ATOM 0 HA GLU A 115 -11.220 12.116 -10.344 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -12.850 13.348 -12.423 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -13.502 11.820 -11.865 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -12.786 14.212 -10.135 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -14.402 13.672 -10.548 1.00 0.00 H new ATOM 1881 N LEU A 116 -11.953 9.718 -11.352 1.00 0.00 N ATOM 1882 CA LEU A 116 -11.919 8.351 -11.870 1.00 0.00 C ATOM 1883 C LEU A 116 -12.619 8.286 -13.224 1.00 0.00 C ATOM 1884 O LEU A 116 -12.071 7.766 -14.192 1.00 0.00 O ATOM 1885 CB LEU A 116 -12.559 7.364 -10.886 1.00 0.00 C ATOM 1886 CG LEU A 116 -12.620 5.914 -11.375 1.00 0.00 C ATOM 1887 CD1 LEU A 116 -11.219 5.352 -11.568 1.00 0.00 C ATOM 1888 CD2 LEU A 116 -13.417 5.053 -10.407 1.00 0.00 C ATOM 0 H LEU A 116 -12.494 9.839 -10.496 1.00 0.00 H new ATOM 0 HA LEU A 116 -10.875 8.062 -11.996 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -12.001 7.393 -9.950 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -13.572 7.700 -10.664 1.00 0.00 H new ATOM 0 HG LEU A 116 -13.128 5.901 -12.339 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -11.285 4.321 -11.916 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -10.685 5.950 -12.307 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -10.681 5.381 -10.620 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -13.448 4.027 -10.773 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -12.942 5.074 -9.426 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -14.433 5.440 -10.327 1.00 0.00 H new ATOM 1900 N ALA A 117 -13.824 8.834 -13.285 1.00 0.00 N ATOM 1901 CA ALA A 117 -14.574 8.914 -14.536 1.00 0.00 C ATOM 1902 C ALA A 117 -13.887 9.833 -15.552 1.00 0.00 C ATOM 1903 O ALA A 117 -14.164 9.762 -16.747 1.00 0.00 O ATOM 1904 CB ALA A 117 -15.990 9.396 -14.265 1.00 0.00 C ATOM 0 H ALA A 117 -14.308 9.232 -12.480 1.00 0.00 H new ATOM 0 HA ALA A 117 -14.609 7.914 -14.967 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -16.541 9.452 -15.204 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -16.489 8.699 -13.592 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -15.956 10.383 -13.804 1.00 0.00 H new ATOM 1910 N LEU A 118 -12.993 10.695 -15.072 1.00 0.00 N ATOM 1911 CA LEU A 118 -12.255 11.604 -15.949 1.00 0.00 C ATOM 1912 C LEU A 118 -10.900 11.013 -16.317 1.00 0.00 C ATOM 1913 O LEU A 118 -10.102 11.644 -17.011 1.00 0.00 O ATOM 1914 CB LEU A 118 -12.027 12.959 -15.272 1.00 0.00 C ATOM 1915 CG LEU A 118 -13.277 13.758 -14.919 1.00 0.00 C ATOM 1916 CD1 LEU A 118 -12.875 15.048 -14.220 1.00 0.00 C ATOM 1917 CD2 LEU A 118 -14.100 14.057 -16.164 1.00 0.00 C ATOM 0 H LEU A 118 -12.762 10.784 -14.083 1.00 0.00 H new ATOM 0 HA LEU A 118 -12.855 11.744 -16.848 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -11.458 12.793 -14.357 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -11.405 13.569 -15.928 1.00 0.00 H new ATOM 0 HG LEU A 118 -13.896 13.165 -14.246 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -13.769 15.619 -13.968 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -12.326 14.812 -13.308 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -12.242 15.639 -14.882 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -14.986 14.628 -15.886 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -13.501 14.637 -16.866 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -14.404 13.121 -16.633 1.00 0.00 H new ATOM 1929 N LEU A 119 -10.634 9.809 -15.838 1.00 0.00 N ATOM 1930 CA LEU A 119 -9.345 9.183 -16.056 1.00 0.00 C ATOM 1931 C LEU A 119 -9.418 8.213 -17.224 1.00 0.00 C ATOM 1932 O LEU A 119 -10.046 7.158 -17.138 1.00 0.00 O ATOM 1933 CB LEU A 119 -8.872 8.467 -14.788 1.00 0.00 C ATOM 1934 CG LEU A 119 -7.451 8.814 -14.346 1.00 0.00 C ATOM 1935 CD1 LEU A 119 -7.318 10.312 -14.131 1.00 0.00 C ATOM 1936 CD2 LEU A 119 -7.090 8.072 -13.076 1.00 0.00 C ATOM 0 H LEU A 119 -11.293 9.249 -15.297 1.00 0.00 H new ATOM 0 HA LEU A 119 -8.620 9.960 -16.298 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -9.558 8.706 -13.976 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -8.934 7.391 -14.951 1.00 0.00 H new ATOM 0 HG LEU A 119 -6.763 8.507 -15.133 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -6.301 10.546 -13.816 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -7.539 10.834 -15.062 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -8.019 10.633 -13.360 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -6.074 8.333 -12.778 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -7.784 8.350 -12.282 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -7.152 6.998 -13.252 1.00 0.00 H new ATOM 1948 N VAL A 120 -8.793 8.597 -18.323 1.00 0.00 N ATOM 1949 CA VAL A 120 -8.735 7.753 -19.502 1.00 0.00 C ATOM 1950 C VAL A 120 -7.530 6.829 -19.414 1.00 0.00 C ATOM 1951 O VAL A 120 -6.702 6.975 -18.514 1.00 0.00 O ATOM 1952 CB VAL A 120 -8.648 8.593 -20.794 1.00 0.00 C ATOM 1953 CG1 VAL A 120 -9.896 9.442 -20.967 1.00 0.00 C ATOM 1954 CG2 VAL A 120 -7.400 9.466 -20.797 1.00 0.00 C ATOM 0 H VAL A 120 -8.316 9.493 -18.423 1.00 0.00 H new ATOM 0 HA VAL A 120 -9.652 7.165 -19.540 1.00 0.00 H new ATOM 0 HB VAL A 120 -8.580 7.906 -21.637 1.00 0.00 H new ATOM 0 HG11 VAL A 120 -9.814 10.026 -21.884 1.00 0.00 H new ATOM 0 HG12 VAL A 120 -10.771 8.795 -21.026 1.00 0.00 H new ATOM 0 HG13 VAL A 120 -9.999 10.115 -20.116 1.00 0.00 H new ATOM 0 HG21 VAL A 120 -7.364 10.047 -21.719 1.00 0.00 H new ATOM 0 HG22 VAL A 120 -7.427 10.142 -19.943 1.00 0.00 H new ATOM 0 HG23 VAL A 120 -6.514 8.834 -20.732 1.00 0.00 H new ATOM 1964 N SER A 121 -7.428 5.886 -20.333 1.00 0.00 N ATOM 1965 CA SER A 121 -6.309 4.967 -20.331 1.00 0.00 C ATOM 1966 C SER A 121 -5.275 5.383 -21.369 1.00 0.00 C ATOM 1967 O SER A 121 -5.514 6.286 -22.173 1.00 0.00 O ATOM 1968 CB SER A 121 -6.778 3.535 -20.591 1.00 0.00 C ATOM 1969 OG SER A 121 -7.330 3.401 -21.888 1.00 0.00 O ATOM 0 H SER A 121 -8.102 5.738 -21.084 1.00 0.00 H new ATOM 0 HA SER A 121 -5.846 5.000 -19.345 1.00 0.00 H new ATOM 0 HB2 SER A 121 -5.938 2.849 -20.478 1.00 0.00 H new ATOM 0 HB3 SER A 121 -7.522 3.253 -19.846 1.00 0.00 H new ATOM 0 HG SER A 121 -7.619 2.475 -22.026 1.00 0.00 H new ATOM 1975 N ALA A 122 -4.131 4.716 -21.339 1.00 0.00 N ATOM 1976 CA ALA A 122 -3.027 4.977 -22.260 1.00 0.00 C ATOM 1977 C ALA A 122 -3.430 4.961 -23.743 1.00 0.00 C ATOM 1978 O ALA A 122 -2.669 5.430 -24.587 1.00 0.00 O ATOM 1979 CB ALA A 122 -1.910 3.973 -22.013 1.00 0.00 C ATOM 0 H ALA A 122 -3.938 3.971 -20.670 1.00 0.00 H new ATOM 0 HA ALA A 122 -2.687 5.992 -22.054 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -1.087 4.168 -22.700 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -1.556 4.068 -20.986 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -2.286 2.963 -22.175 1.00 0.00 H new