USER MOD reduce.3.24.130724 H: found=0, std=0, add=854, rem=0, adj=9 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= -1.15 K(o=-1.1,f=-0.00026) USER MOD Set 2.1: A 37 SER OG : rot -68:sc= -0.293 USER MOD Set 2.2: A 39 HIS : no HD1:sc= -1.68 X(o=-2,f=-2.5) USER MOD Single : A 20 SER OG : rot 160:sc= 0 USER MOD Single : A 24 GLN : amide:sc= -0.101 K(o=-0.1,f=-0.92) USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 45 GLN : amide:sc= -0.911 K(o=-0.91,f=0.4) USER MOD Single : A 47 GLN : amide:sc= -0.0118 K(o=-0.012,f=-0.52) USER MOD Single : A 50 ASN : amide:sc= -0.117 K(o=-0.12,f=-3.4!) USER MOD Single : A 54 GLN : amide:sc= -1.15! K(o=-1.1!,f=-0.0066) USER MOD Single : A 62 TYR OH : rot -151:sc= 1.28 USER MOD Single : A 71 MET CE :methyl 165:sc= -0.112 (180deg=-0.559) USER MOD Single : A 87 CYS SG : rot -160:sc= -2.46! USER MOD Single : A 89 HIS : no HD1:sc= -0.0714 K(o=-0.071,f=-4.3!) USER MOD Single : A 94 SER OG : rot 130:sc= 0.51 USER MOD Single : A 96 SER OG : rot 71:sc= 0.629 USER MOD Single : A 97 HIS : no HD1:sc= -0.0324 K(o=-0.032,f=-1.6) USER MOD Single : A 105 ASN : amide:sc= 1.2 K(o=1.2,f=-0.002) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 237 N ILE A 14 0.164 8.048 -17.120 1.00 0.00 N ATOM 238 CA ILE A 14 1.235 7.568 -16.262 1.00 0.00 C ATOM 239 C ILE A 14 1.131 6.065 -16.043 1.00 0.00 C ATOM 240 O ILE A 14 0.480 5.593 -15.109 1.00 0.00 O ATOM 241 CB ILE A 14 1.277 8.308 -14.908 1.00 0.00 C ATOM 242 CG1 ILE A 14 -0.141 8.561 -14.379 1.00 0.00 C ATOM 243 CG2 ILE A 14 2.049 9.614 -15.044 1.00 0.00 C ATOM 244 CD1 ILE A 14 -0.174 9.354 -13.091 1.00 0.00 C ATOM 0 HA ILE A 14 2.170 7.782 -16.780 1.00 0.00 H new ATOM 0 HB ILE A 14 1.794 7.677 -14.185 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -0.714 9.093 -15.139 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -0.637 7.603 -14.219 1.00 0.00 H new ATOM 0 HG21 ILE A 14 2.071 10.126 -14.082 1.00 0.00 H new ATOM 0 HG22 ILE A 14 3.069 9.402 -15.366 1.00 0.00 H new ATOM 0 HG23 ILE A 14 1.561 10.250 -15.782 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -1.208 9.494 -12.777 1.00 0.00 H new ATOM 0 HD12 ILE A 14 0.370 8.813 -12.317 1.00 0.00 H new ATOM 0 HD13 ILE A 14 0.292 10.326 -13.250 1.00 0.00 H new ATOM 256 N ALA A 15 1.771 5.320 -16.931 1.00 0.00 N ATOM 257 CA ALA A 15 1.757 3.872 -16.873 1.00 0.00 C ATOM 258 C ALA A 15 3.175 3.326 -16.933 1.00 0.00 C ATOM 259 O ALA A 15 3.652 2.899 -17.987 1.00 0.00 O ATOM 260 CB ALA A 15 0.914 3.298 -18.003 1.00 0.00 C ATOM 0 H ALA A 15 2.311 5.702 -17.707 1.00 0.00 H new ATOM 0 HA ALA A 15 1.310 3.569 -15.926 1.00 0.00 H new ATOM 0 HB1 ALA A 15 0.916 2.210 -17.942 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -0.109 3.664 -17.916 1.00 0.00 H new ATOM 0 HB3 ALA A 15 1.330 3.608 -18.961 1.00 0.00 H new ATOM 266 N PHE A 16 3.856 3.378 -15.799 1.00 0.00 N ATOM 267 CA PHE A 16 5.219 2.881 -15.699 1.00 0.00 C ATOM 268 C PHE A 16 5.243 1.361 -15.770 1.00 0.00 C ATOM 269 O PHE A 16 4.368 0.686 -15.220 1.00 0.00 O ATOM 270 CB PHE A 16 5.886 3.379 -14.407 1.00 0.00 C ATOM 271 CG PHE A 16 5.022 3.272 -13.178 1.00 0.00 C ATOM 272 CD1 PHE A 16 4.215 4.333 -12.794 1.00 0.00 C ATOM 273 CD2 PHE A 16 5.015 2.119 -12.408 1.00 0.00 C ATOM 274 CE1 PHE A 16 3.423 4.248 -11.667 1.00 0.00 C ATOM 275 CE2 PHE A 16 4.222 2.028 -11.280 1.00 0.00 C ATOM 276 CZ PHE A 16 3.424 3.093 -10.910 1.00 0.00 C ATOM 0 H PHE A 16 3.484 3.762 -14.930 1.00 0.00 H new ATOM 0 HA PHE A 16 5.787 3.269 -16.544 1.00 0.00 H new ATOM 0 HB2 PHE A 16 6.801 2.810 -14.243 1.00 0.00 H new ATOM 0 HB3 PHE A 16 6.177 4.421 -14.541 1.00 0.00 H new ATOM 0 HD1 PHE A 16 4.206 5.237 -13.385 1.00 0.00 H new ATOM 0 HD2 PHE A 16 5.636 1.283 -12.693 1.00 0.00 H new ATOM 0 HE1 PHE A 16 2.803 5.084 -11.377 1.00 0.00 H new ATOM 0 HE2 PHE A 16 4.226 1.125 -10.688 1.00 0.00 H new ATOM 0 HZ PHE A 16 2.802 3.023 -10.030 1.00 0.00 H new ATOM 286 N ASP A 17 6.239 0.828 -16.458 1.00 0.00 N ATOM 287 CA ASP A 17 6.342 -0.609 -16.660 1.00 0.00 C ATOM 288 C ASP A 17 6.948 -1.276 -15.434 1.00 0.00 C ATOM 289 O ASP A 17 8.170 -1.375 -15.304 1.00 0.00 O ATOM 290 CB ASP A 17 7.181 -0.926 -17.898 1.00 0.00 C ATOM 291 CG ASP A 17 6.601 -0.335 -19.169 1.00 0.00 C ATOM 292 OD1 ASP A 17 7.096 0.722 -19.619 1.00 0.00 O ATOM 293 OD2 ASP A 17 5.659 -0.930 -19.732 1.00 0.00 O ATOM 0 H ASP A 17 6.989 1.369 -16.887 1.00 0.00 H new ATOM 0 HA ASP A 17 5.337 -1.001 -16.815 1.00 0.00 H new ATOM 0 HB2 ASP A 17 8.192 -0.544 -17.754 1.00 0.00 H new ATOM 0 HB3 ASP A 17 7.262 -2.007 -18.009 1.00 0.00 H new ATOM 298 N ALA A 18 6.085 -1.685 -14.520 1.00 0.00 N ATOM 299 CA ALA A 18 6.502 -2.384 -13.318 1.00 0.00 C ATOM 300 C ALA A 18 5.586 -3.573 -13.067 1.00 0.00 C ATOM 301 O ALA A 18 4.500 -3.654 -13.647 1.00 0.00 O ATOM 302 CB ALA A 18 6.485 -1.437 -12.128 1.00 0.00 C ATOM 0 H ALA A 18 5.078 -1.542 -14.590 1.00 0.00 H new ATOM 0 HA ALA A 18 7.520 -2.749 -13.453 1.00 0.00 H new ATOM 0 HB1 ALA A 18 6.800 -1.973 -11.232 1.00 0.00 H new ATOM 0 HB2 ALA A 18 7.167 -0.608 -12.313 1.00 0.00 H new ATOM 0 HB3 ALA A 18 5.476 -1.051 -11.984 1.00 0.00 H new ATOM 308 N ASP A 19 6.024 -4.500 -12.224 1.00 0.00 N ATOM 309 CA ASP A 19 5.192 -5.641 -11.856 1.00 0.00 C ATOM 310 C ASP A 19 3.950 -5.142 -11.139 1.00 0.00 C ATOM 311 O ASP A 19 4.039 -4.608 -10.034 1.00 0.00 O ATOM 312 CB ASP A 19 5.943 -6.617 -10.942 1.00 0.00 C ATOM 313 CG ASP A 19 7.262 -7.088 -11.516 1.00 0.00 C ATOM 314 OD1 ASP A 19 7.305 -8.190 -12.095 1.00 0.00 O ATOM 315 OD2 ASP A 19 8.270 -6.364 -11.370 1.00 0.00 O ATOM 0 H ASP A 19 6.944 -4.486 -11.784 1.00 0.00 H new ATOM 0 HA ASP A 19 4.921 -6.171 -12.769 1.00 0.00 H new ATOM 0 HB2 ASP A 19 6.125 -6.136 -9.981 1.00 0.00 H new ATOM 0 HB3 ASP A 19 5.310 -7.483 -10.750 1.00 0.00 H new ATOM 320 N SER A 20 2.805 -5.275 -11.781 1.00 0.00 N ATOM 321 CA SER A 20 1.556 -4.839 -11.191 1.00 0.00 C ATOM 322 C SER A 20 0.670 -6.040 -10.883 1.00 0.00 C ATOM 323 O SER A 20 -0.019 -6.558 -11.764 1.00 0.00 O ATOM 324 CB SER A 20 0.842 -3.873 -12.140 1.00 0.00 C ATOM 325 OG SER A 20 1.715 -2.827 -12.544 1.00 0.00 O ATOM 0 H SER A 20 2.715 -5.682 -12.712 1.00 0.00 H new ATOM 0 HA SER A 20 1.766 -4.320 -10.256 1.00 0.00 H new ATOM 0 HB2 SER A 20 0.485 -4.414 -13.016 1.00 0.00 H new ATOM 0 HB3 SER A 20 -0.034 -3.452 -11.647 1.00 0.00 H new ATOM 0 HG SER A 20 1.376 -2.417 -13.367 1.00 0.00 H new ATOM 331 N GLU A 21 0.715 -6.503 -9.641 1.00 0.00 N ATOM 332 CA GLU A 21 -0.096 -7.638 -9.237 1.00 0.00 C ATOM 333 C GLU A 21 -1.304 -7.173 -8.442 1.00 0.00 C ATOM 334 O GLU A 21 -1.176 -6.387 -7.503 1.00 0.00 O ATOM 335 CB GLU A 21 0.693 -8.623 -8.369 1.00 0.00 C ATOM 336 CG GLU A 21 2.021 -9.071 -8.950 1.00 0.00 C ATOM 337 CD GLU A 21 2.690 -10.137 -8.093 1.00 0.00 C ATOM 338 OE1 GLU A 21 3.067 -9.833 -6.941 1.00 0.00 O ATOM 339 OE2 GLU A 21 2.848 -11.283 -8.564 1.00 0.00 O ATOM 0 H GLU A 21 1.300 -6.112 -8.903 1.00 0.00 H new ATOM 0 HA GLU A 21 -0.410 -8.139 -10.153 1.00 0.00 H new ATOM 0 HB2 GLU A 21 0.876 -8.162 -7.398 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.075 -9.504 -8.193 1.00 0.00 H new ATOM 0 HG2 GLU A 21 1.863 -9.461 -9.956 1.00 0.00 H new ATOM 0 HG3 GLU A 21 2.685 -8.211 -9.042 1.00 0.00 H new ATOM 346 N ILE A 22 -2.470 -7.645 -8.834 1.00 0.00 N ATOM 347 CA ILE A 22 -3.658 -7.498 -8.025 1.00 0.00 C ATOM 348 C ILE A 22 -3.841 -8.779 -7.231 1.00 0.00 C ATOM 349 O ILE A 22 -4.199 -9.825 -7.778 1.00 0.00 O ATOM 350 CB ILE A 22 -4.929 -7.179 -8.862 1.00 0.00 C ATOM 351 CG1 ILE A 22 -4.946 -5.712 -9.313 1.00 0.00 C ATOM 352 CG2 ILE A 22 -6.194 -7.484 -8.069 1.00 0.00 C ATOM 353 CD1 ILE A 22 -3.853 -5.345 -10.295 1.00 0.00 C ATOM 0 H ILE A 22 -2.618 -8.137 -9.715 1.00 0.00 H new ATOM 0 HA ILE A 22 -3.525 -6.644 -7.361 1.00 0.00 H new ATOM 0 HB ILE A 22 -4.901 -7.816 -9.746 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -5.913 -5.496 -9.767 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -4.857 -5.074 -8.434 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -7.069 -7.252 -8.676 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -6.209 -8.540 -7.799 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -6.211 -6.878 -7.163 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -3.940 -4.291 -10.560 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -2.879 -5.525 -9.840 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -3.952 -5.954 -11.194 1.00 0.00 H new ATOM 365 N LEU A 23 -3.525 -8.706 -5.956 1.00 0.00 N ATOM 366 CA LEU A 23 -3.527 -9.875 -5.103 1.00 0.00 C ATOM 367 C LEU A 23 -4.848 -9.991 -4.373 1.00 0.00 C ATOM 368 O LEU A 23 -5.346 -9.013 -3.814 1.00 0.00 O ATOM 369 CB LEU A 23 -2.399 -9.778 -4.078 1.00 0.00 C ATOM 370 CG LEU A 23 -1.029 -9.436 -4.655 1.00 0.00 C ATOM 371 CD1 LEU A 23 -0.007 -9.285 -3.541 1.00 0.00 C ATOM 372 CD2 LEU A 23 -0.585 -10.499 -5.645 1.00 0.00 C ATOM 0 H LEU A 23 -3.261 -7.841 -5.484 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.380 -10.756 -5.728 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -2.664 -9.022 -3.339 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.327 -10.728 -3.549 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.106 -8.486 -5.184 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.965 -9.041 -3.970 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.318 -8.486 -2.868 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.066 -10.220 -2.985 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.394 -10.237 -6.045 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.525 -11.463 -5.141 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.306 -10.561 -6.460 1.00 0.00 H new ATOM 384 N GLN A 24 -5.422 -11.177 -4.391 1.00 0.00 N ATOM 385 CA GLN A 24 -6.582 -11.445 -3.569 1.00 0.00 C ATOM 386 C GLN A 24 -6.267 -12.595 -2.632 1.00 0.00 C ATOM 387 O GLN A 24 -6.434 -13.769 -2.983 1.00 0.00 O ATOM 388 CB GLN A 24 -7.820 -11.748 -4.417 1.00 0.00 C ATOM 389 CG GLN A 24 -9.084 -11.125 -3.848 1.00 0.00 C ATOM 390 CD GLN A 24 -9.462 -11.678 -2.486 1.00 0.00 C ATOM 391 OE1 GLN A 24 -9.290 -12.865 -2.212 1.00 0.00 O ATOM 392 NE2 GLN A 24 -9.928 -10.809 -1.605 1.00 0.00 N ATOM 0 H GLN A 24 -5.107 -11.963 -4.960 1.00 0.00 H new ATOM 0 HA GLN A 24 -6.814 -10.554 -2.986 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -7.661 -11.378 -5.430 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -7.952 -12.828 -4.488 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -8.946 -10.047 -3.770 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -9.908 -11.292 -4.542 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -10.057 -9.833 -1.871 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -10.159 -11.115 -0.660 1.00 0.00 H new ATOM 401 N GLY A 25 -5.755 -12.245 -1.461 1.00 0.00 N ATOM 402 CA GLY A 25 -5.392 -13.232 -0.470 1.00 0.00 C ATOM 403 C GLY A 25 -4.127 -13.982 -0.834 1.00 0.00 C ATOM 404 O GLY A 25 -3.065 -13.748 -0.259 1.00 0.00 O ATOM 0 H GLY A 25 -5.583 -11.280 -1.179 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -5.255 -12.741 0.494 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -6.210 -13.942 -0.352 1.00 0.00 H new ATOM 408 N GLU A 26 -4.242 -14.867 -1.809 1.00 0.00 N ATOM 409 CA GLU A 26 -3.152 -15.758 -2.173 1.00 0.00 C ATOM 410 C GLU A 26 -3.000 -15.888 -3.688 1.00 0.00 C ATOM 411 O GLU A 26 -1.978 -16.374 -4.174 1.00 0.00 O ATOM 412 CB GLU A 26 -3.408 -17.129 -1.555 1.00 0.00 C ATOM 413 CG GLU A 26 -4.835 -17.610 -1.760 1.00 0.00 C ATOM 414 CD GLU A 26 -5.094 -18.962 -1.142 1.00 0.00 C ATOM 415 OE1 GLU A 26 -5.174 -19.952 -1.891 1.00 0.00 O ATOM 416 OE2 GLU A 26 -5.222 -19.043 0.100 1.00 0.00 O ATOM 0 H GLU A 26 -5.087 -14.989 -2.368 1.00 0.00 H new ATOM 0 HA GLU A 26 -2.222 -15.336 -1.791 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -2.719 -17.853 -1.990 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -3.193 -17.087 -0.487 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -5.523 -16.882 -1.331 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -5.047 -17.658 -2.828 1.00 0.00 H new ATOM 423 N ARG A 27 -4.012 -15.458 -4.435 1.00 0.00 N ATOM 424 CA ARG A 27 -3.997 -15.622 -5.884 1.00 0.00 C ATOM 425 C ARG A 27 -3.485 -14.354 -6.562 1.00 0.00 C ATOM 426 O ARG A 27 -3.748 -13.243 -6.094 1.00 0.00 O ATOM 427 CB ARG A 27 -5.391 -15.981 -6.405 1.00 0.00 C ATOM 428 CG ARG A 27 -5.363 -16.696 -7.747 1.00 0.00 C ATOM 429 CD ARG A 27 -6.759 -17.019 -8.247 1.00 0.00 C ATOM 430 NE ARG A 27 -6.735 -18.028 -9.304 1.00 0.00 N ATOM 431 CZ ARG A 27 -7.431 -17.950 -10.440 1.00 0.00 C ATOM 432 NH1 ARG A 27 -8.199 -16.891 -10.690 1.00 0.00 N ATOM 433 NH2 ARG A 27 -7.357 -18.937 -11.325 1.00 0.00 N ATOM 0 H ARG A 27 -4.844 -14.998 -4.066 1.00 0.00 H new ATOM 0 HA ARG A 27 -3.320 -16.441 -6.126 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -5.893 -16.614 -5.674 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -5.983 -15.070 -6.498 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -4.851 -16.072 -8.480 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -4.788 -17.618 -7.655 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -7.369 -17.376 -7.417 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -7.230 -16.111 -8.622 1.00 0.00 H new ATOM 0 HE ARG A 27 -6.146 -18.849 -9.164 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -8.258 -16.132 -10.011 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -8.728 -16.839 -11.561 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -6.770 -19.750 -11.135 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -7.887 -18.883 -12.195 1.00 0.00 H new ATOM 447 N ARG A 28 -2.757 -14.535 -7.657 1.00 0.00 N ATOM 448 CA ARG A 28 -2.121 -13.425 -8.362 1.00 0.00 C ATOM 449 C ARG A 28 -2.935 -13.000 -9.580 1.00 0.00 C ATOM 450 O ARG A 28 -3.489 -13.841 -10.288 1.00 0.00 O ATOM 451 CB ARG A 28 -0.731 -13.839 -8.853 1.00 0.00 C ATOM 452 CG ARG A 28 0.142 -14.502 -7.801 1.00 0.00 C ATOM 453 CD ARG A 28 0.713 -13.497 -6.818 1.00 0.00 C ATOM 454 NE ARG A 28 1.589 -14.141 -5.846 1.00 0.00 N ATOM 455 CZ ARG A 28 2.915 -14.019 -5.835 1.00 0.00 C ATOM 456 NH1 ARG A 28 3.526 -13.229 -6.715 1.00 0.00 N ATOM 457 NH2 ARG A 28 3.627 -14.686 -4.933 1.00 0.00 N ATOM 0 H ARG A 28 -2.591 -15.448 -8.080 1.00 0.00 H new ATOM 0 HA ARG A 28 -2.053 -12.595 -7.659 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -0.846 -14.523 -9.694 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -0.215 -12.955 -9.229 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -0.444 -15.245 -7.260 1.00 0.00 H new ATOM 0 HG3 ARG A 28 0.958 -15.034 -8.290 1.00 0.00 H new ATOM 0 HD2 ARG A 28 1.269 -12.732 -7.360 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -0.101 -12.992 -6.298 1.00 0.00 H new ATOM 0 HE ARG A 28 1.158 -14.723 -5.128 1.00 0.00 H new ATOM 0 HH11 ARG A 28 2.978 -12.713 -7.403 1.00 0.00 H new ATOM 0 HH12 ARG A 28 4.542 -13.140 -6.701 1.00 0.00 H new ATOM 0 HH21 ARG A 28 3.158 -15.286 -4.255 1.00 0.00 H new ATOM 0 HH22 ARG A 28 4.643 -14.598 -4.918 1.00 0.00 H new ATOM 471 N TRP A 29 -3.017 -11.697 -9.805 1.00 0.00 N ATOM 472 CA TRP A 29 -3.479 -11.167 -11.081 1.00 0.00 C ATOM 473 C TRP A 29 -2.460 -10.162 -11.613 1.00 0.00 C ATOM 474 O TRP A 29 -2.511 -8.980 -11.283 1.00 0.00 O ATOM 475 CB TRP A 29 -4.851 -10.492 -10.947 1.00 0.00 C ATOM 476 CG TRP A 29 -6.016 -11.438 -10.965 1.00 0.00 C ATOM 477 CD1 TRP A 29 -6.738 -11.818 -12.059 1.00 0.00 C ATOM 478 CD2 TRP A 29 -6.601 -12.114 -9.847 1.00 0.00 C ATOM 479 NE1 TRP A 29 -7.737 -12.685 -11.691 1.00 0.00 N ATOM 480 CE2 TRP A 29 -7.671 -12.885 -10.338 1.00 0.00 C ATOM 481 CE3 TRP A 29 -6.323 -12.144 -8.479 1.00 0.00 C ATOM 482 CZ2 TRP A 29 -8.461 -13.676 -9.508 1.00 0.00 C ATOM 483 CZ3 TRP A 29 -7.108 -12.927 -7.657 1.00 0.00 C ATOM 484 CH2 TRP A 29 -8.165 -13.683 -8.173 1.00 0.00 C ATOM 0 H TRP A 29 -2.769 -10.985 -9.119 1.00 0.00 H new ATOM 0 HA TRP A 29 -3.582 -11.999 -11.778 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -4.874 -9.926 -10.016 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -4.969 -9.775 -11.759 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -6.551 -11.485 -13.069 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -8.417 -13.110 -12.322 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -5.508 -11.565 -8.071 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -9.277 -14.262 -9.904 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -6.902 -12.956 -6.597 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -8.760 -14.285 -7.503 1.00 0.00 H new ATOM 495 N GLU A 30 -1.529 -10.634 -12.426 1.00 0.00 N ATOM 496 CA GLU A 30 -0.490 -9.772 -12.975 1.00 0.00 C ATOM 497 C GLU A 30 -1.002 -9.053 -14.218 1.00 0.00 C ATOM 498 O GLU A 30 -1.247 -9.674 -15.255 1.00 0.00 O ATOM 499 CB GLU A 30 0.762 -10.592 -13.299 1.00 0.00 C ATOM 500 CG GLU A 30 1.938 -9.756 -13.779 1.00 0.00 C ATOM 501 CD GLU A 30 3.193 -10.581 -13.980 1.00 0.00 C ATOM 502 OE1 GLU A 30 4.094 -10.519 -13.123 1.00 0.00 O ATOM 503 OE2 GLU A 30 3.285 -11.296 -14.999 1.00 0.00 O ATOM 0 H GLU A 30 -1.470 -11.608 -12.721 1.00 0.00 H new ATOM 0 HA GLU A 30 -0.225 -9.021 -12.230 1.00 0.00 H new ATOM 0 HB2 GLU A 30 1.062 -11.146 -12.410 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.515 -11.327 -14.065 1.00 0.00 H new ATOM 0 HG2 GLU A 30 1.674 -9.268 -14.717 1.00 0.00 H new ATOM 0 HG3 GLU A 30 2.138 -8.967 -13.054 1.00 0.00 H new ATOM 510 N VAL A 31 -1.157 -7.742 -14.111 1.00 0.00 N ATOM 511 CA VAL A 31 -1.763 -6.957 -15.174 1.00 0.00 C ATOM 512 C VAL A 31 -0.843 -5.814 -15.609 1.00 0.00 C ATOM 513 O VAL A 31 0.082 -5.439 -14.888 1.00 0.00 O ATOM 514 CB VAL A 31 -3.125 -6.381 -14.716 1.00 0.00 C ATOM 515 CG1 VAL A 31 -2.935 -5.335 -13.629 1.00 0.00 C ATOM 516 CG2 VAL A 31 -3.908 -5.805 -15.887 1.00 0.00 C ATOM 0 H VAL A 31 -0.871 -7.199 -13.297 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.921 -7.620 -16.025 1.00 0.00 H new ATOM 0 HB VAL A 31 -3.706 -7.204 -14.301 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -3.907 -4.946 -13.325 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -2.440 -5.789 -12.770 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.321 -4.520 -14.012 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -4.859 -5.409 -15.530 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -3.333 -5.004 -16.350 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -4.094 -6.589 -16.621 1.00 0.00 H new ATOM 526 N LEU A 32 -1.098 -5.281 -16.797 1.00 0.00 N ATOM 527 CA LEU A 32 -0.379 -4.120 -17.296 1.00 0.00 C ATOM 528 C LEU A 32 -1.039 -2.848 -16.779 1.00 0.00 C ATOM 529 O LEU A 32 -2.269 -2.726 -16.794 1.00 0.00 O ATOM 530 CB LEU A 32 -0.362 -4.089 -18.831 1.00 0.00 C ATOM 531 CG LEU A 32 0.392 -5.231 -19.525 1.00 0.00 C ATOM 532 CD1 LEU A 32 -0.385 -6.540 -19.450 1.00 0.00 C ATOM 533 CD2 LEU A 32 0.668 -4.861 -20.972 1.00 0.00 C ATOM 0 H LEU A 32 -1.806 -5.640 -17.438 1.00 0.00 H new ATOM 0 HA LEU A 32 0.649 -4.184 -16.940 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -1.393 -4.095 -19.185 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.079 -3.144 -19.149 1.00 0.00 H new ATOM 0 HG LEU A 32 1.338 -5.380 -19.004 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.178 -7.327 -19.952 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.538 -6.813 -18.406 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -1.352 -6.418 -19.939 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.204 -5.675 -21.460 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.275 -4.686 -21.489 1.00 0.00 H new ATOM 0 HD23 LEU A 32 1.274 -3.956 -21.007 1.00 0.00 H new ATOM 545 N LEU A 33 -0.225 -1.906 -16.330 1.00 0.00 N ATOM 546 CA LEU A 33 -0.729 -0.646 -15.803 1.00 0.00 C ATOM 547 C LEU A 33 -1.313 0.221 -16.921 1.00 0.00 C ATOM 548 O LEU A 33 -0.828 0.206 -18.054 1.00 0.00 O ATOM 549 CB LEU A 33 0.395 0.109 -15.082 1.00 0.00 C ATOM 550 CG LEU A 33 -0.006 1.442 -14.445 1.00 0.00 C ATOM 551 CD1 LEU A 33 -1.093 1.233 -13.405 1.00 0.00 C ATOM 552 CD2 LEU A 33 1.203 2.118 -13.821 1.00 0.00 C ATOM 0 H LEU A 33 0.791 -1.990 -16.320 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.525 -0.867 -15.092 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.801 -0.537 -14.304 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.199 0.295 -15.794 1.00 0.00 H new ATOM 0 HG LEU A 33 -0.400 2.091 -15.227 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.364 2.192 -12.964 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -1.970 0.791 -13.879 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.727 0.566 -12.625 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.900 3.064 -13.373 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.625 1.471 -13.052 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.953 2.304 -14.590 1.00 0.00 H new ATOM 564 N HIS A 34 -2.376 0.947 -16.600 1.00 0.00 N ATOM 565 CA HIS A 34 -2.987 1.877 -17.543 1.00 0.00 C ATOM 566 C HIS A 34 -2.842 3.309 -17.044 1.00 0.00 C ATOM 567 O HIS A 34 -2.338 4.175 -17.755 1.00 0.00 O ATOM 568 CB HIS A 34 -4.471 1.555 -17.749 1.00 0.00 C ATOM 569 CG HIS A 34 -4.739 0.430 -18.699 1.00 0.00 C ATOM 570 ND1 HIS A 34 -5.792 0.443 -19.582 1.00 0.00 N ATOM 571 CD2 HIS A 34 -4.096 -0.747 -18.903 1.00 0.00 C ATOM 572 CE1 HIS A 34 -5.787 -0.669 -20.287 1.00 0.00 C ATOM 573 NE2 HIS A 34 -4.770 -1.411 -19.897 1.00 0.00 N ATOM 0 H HIS A 34 -2.835 0.910 -15.690 1.00 0.00 H new ATOM 0 HA HIS A 34 -2.471 1.772 -18.497 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -4.914 1.311 -16.783 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -4.976 2.449 -18.114 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -3.218 -1.096 -18.381 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -6.498 -0.930 -21.057 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -4.524 -2.327 -20.272 1.00 0.00 H new ATOM 582 N ASP A 35 -3.302 3.543 -15.822 1.00 0.00 N ATOM 583 CA ASP A 35 -3.218 4.860 -15.196 1.00 0.00 C ATOM 584 C ASP A 35 -3.407 4.708 -13.689 1.00 0.00 C ATOM 585 O ASP A 35 -4.280 3.960 -13.245 1.00 0.00 O ATOM 586 CB ASP A 35 -4.290 5.797 -15.777 1.00 0.00 C ATOM 587 CG ASP A 35 -4.039 7.262 -15.460 1.00 0.00 C ATOM 588 OD1 ASP A 35 -3.761 8.042 -16.405 1.00 0.00 O ATOM 589 OD2 ASP A 35 -4.130 7.648 -14.279 1.00 0.00 O ATOM 0 H ASP A 35 -3.742 2.831 -15.238 1.00 0.00 H new ATOM 0 HA ASP A 35 -2.240 5.296 -15.397 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -4.329 5.667 -16.859 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -5.266 5.509 -15.386 1.00 0.00 H new ATOM 594 N VAL A 36 -2.577 5.378 -12.909 1.00 0.00 N ATOM 595 CA VAL A 36 -2.647 5.281 -11.455 1.00 0.00 C ATOM 596 C VAL A 36 -2.723 6.676 -10.842 1.00 0.00 C ATOM 597 O VAL A 36 -2.085 7.605 -11.329 1.00 0.00 O ATOM 598 CB VAL A 36 -1.438 4.499 -10.881 1.00 0.00 C ATOM 599 CG1 VAL A 36 -0.124 5.194 -11.207 1.00 0.00 C ATOM 600 CG2 VAL A 36 -1.583 4.287 -9.380 1.00 0.00 C ATOM 0 H VAL A 36 -1.844 5.997 -13.255 1.00 0.00 H new ATOM 0 HA VAL A 36 -3.550 4.728 -11.195 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.424 3.520 -11.359 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.704 4.620 -10.791 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -0.009 5.265 -12.289 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -0.125 6.195 -10.776 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -0.720 3.736 -9.005 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.641 5.254 -8.880 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -2.492 3.719 -9.179 1.00 0.00 H new ATOM 610 N SER A 37 -3.507 6.836 -9.780 1.00 0.00 N ATOM 611 CA SER A 37 -3.750 8.160 -9.238 1.00 0.00 C ATOM 612 C SER A 37 -3.996 8.135 -7.728 1.00 0.00 C ATOM 613 O SER A 37 -3.800 7.118 -7.065 1.00 0.00 O ATOM 614 CB SER A 37 -4.945 8.780 -9.955 1.00 0.00 C ATOM 615 OG SER A 37 -6.075 7.929 -9.862 1.00 0.00 O ATOM 0 H SER A 37 -3.976 6.076 -9.287 1.00 0.00 H new ATOM 0 HA SER A 37 -2.856 8.761 -9.403 1.00 0.00 H new ATOM 0 HB2 SER A 37 -5.176 9.751 -9.517 1.00 0.00 H new ATOM 0 HB3 SER A 37 -4.698 8.954 -11.002 1.00 0.00 H new ATOM 0 HG SER A 37 -5.916 7.116 -10.386 1.00 0.00 H new ATOM 621 N LEU A 38 -4.453 9.272 -7.206 1.00 0.00 N ATOM 622 CA LEU A 38 -4.671 9.457 -5.775 1.00 0.00 C ATOM 623 C LEU A 38 -6.059 8.961 -5.363 1.00 0.00 C ATOM 624 O LEU A 38 -6.446 9.044 -4.200 1.00 0.00 O ATOM 625 CB LEU A 38 -4.516 10.947 -5.441 1.00 0.00 C ATOM 626 CG LEU A 38 -4.605 11.310 -3.960 1.00 0.00 C ATOM 627 CD1 LEU A 38 -3.565 10.541 -3.168 1.00 0.00 C ATOM 628 CD2 LEU A 38 -4.428 12.811 -3.767 1.00 0.00 C ATOM 0 H LEU A 38 -4.683 10.093 -7.767 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.935 8.874 -5.221 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -3.553 11.287 -5.822 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -5.285 11.502 -5.978 1.00 0.00 H new ATOM 0 HG LEU A 38 -5.593 11.034 -3.592 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -3.639 10.809 -2.114 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.738 9.471 -3.284 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.570 10.790 -3.537 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.494 13.052 -2.706 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.453 13.114 -4.148 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -5.210 13.342 -4.309 1.00 0.00 H new ATOM 640 N HIS A 39 -6.800 8.439 -6.327 1.00 0.00 N ATOM 641 CA HIS A 39 -8.178 8.001 -6.091 1.00 0.00 C ATOM 642 C HIS A 39 -8.382 6.576 -6.571 1.00 0.00 C ATOM 643 O HIS A 39 -9.511 6.106 -6.692 1.00 0.00 O ATOM 644 CB HIS A 39 -9.185 8.932 -6.787 1.00 0.00 C ATOM 645 CG HIS A 39 -8.679 9.524 -8.058 1.00 0.00 C ATOM 646 ND1 HIS A 39 -9.091 9.109 -9.301 1.00 0.00 N ATOM 647 CD2 HIS A 39 -7.772 10.505 -8.267 1.00 0.00 C ATOM 648 CE1 HIS A 39 -8.462 9.810 -10.222 1.00 0.00 C ATOM 649 NE2 HIS A 39 -7.654 10.667 -9.622 1.00 0.00 N ATOM 0 H HIS A 39 -6.475 8.306 -7.285 1.00 0.00 H new ATOM 0 HA HIS A 39 -8.353 8.041 -5.016 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -10.098 8.374 -6.995 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -9.453 9.738 -6.103 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -7.240 11.058 -7.507 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -8.586 9.702 -11.289 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -7.044 11.337 -10.090 1.00 0.00 H new ATOM 658 N GLY A 40 -7.288 5.890 -6.838 1.00 0.00 N ATOM 659 CA GLY A 40 -7.379 4.524 -7.286 1.00 0.00 C ATOM 660 C GLY A 40 -6.489 4.251 -8.471 1.00 0.00 C ATOM 661 O GLY A 40 -5.431 4.871 -8.620 1.00 0.00 O ATOM 0 H GLY A 40 -6.339 6.255 -6.753 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -7.107 3.857 -6.468 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -8.412 4.299 -7.551 1.00 0.00 H new ATOM 665 N ILE A 41 -6.933 3.354 -9.336 1.00 0.00 N ATOM 666 CA ILE A 41 -6.105 2.882 -10.434 1.00 0.00 C ATOM 667 C ILE A 41 -6.965 2.236 -11.520 1.00 0.00 C ATOM 668 O ILE A 41 -8.013 1.652 -11.233 1.00 0.00 O ATOM 669 CB ILE A 41 -5.043 1.876 -9.916 1.00 0.00 C ATOM 670 CG1 ILE A 41 -4.134 1.390 -11.048 1.00 0.00 C ATOM 671 CG2 ILE A 41 -5.710 0.695 -9.226 1.00 0.00 C ATOM 672 CD1 ILE A 41 -3.069 0.413 -10.592 1.00 0.00 C ATOM 0 H ILE A 41 -7.863 2.938 -9.299 1.00 0.00 H new ATOM 0 HA ILE A 41 -5.591 3.739 -10.869 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.422 2.399 -9.188 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -4.745 0.916 -11.816 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -3.652 2.251 -11.511 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -4.947 0.003 -8.871 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -6.298 1.052 -8.380 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -6.364 0.183 -9.932 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -2.462 0.111 -11.446 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.433 0.890 -9.846 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -3.544 -0.466 -10.156 1.00 0.00 H new ATOM 684 N LEU A 42 -6.534 2.380 -12.765 1.00 0.00 N ATOM 685 CA LEU A 42 -7.207 1.764 -13.895 1.00 0.00 C ATOM 686 C LEU A 42 -6.301 0.710 -14.523 1.00 0.00 C ATOM 687 O LEU A 42 -5.148 0.990 -14.859 1.00 0.00 O ATOM 688 CB LEU A 42 -7.575 2.827 -14.939 1.00 0.00 C ATOM 689 CG LEU A 42 -8.318 2.308 -16.173 1.00 0.00 C ATOM 690 CD1 LEU A 42 -9.703 1.803 -15.798 1.00 0.00 C ATOM 691 CD2 LEU A 42 -8.415 3.396 -17.232 1.00 0.00 C ATOM 0 H LEU A 42 -5.710 2.926 -13.018 1.00 0.00 H new ATOM 0 HA LEU A 42 -8.122 1.288 -13.544 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -8.192 3.586 -14.458 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -6.660 3.321 -15.268 1.00 0.00 H new ATOM 0 HG LEU A 42 -7.752 1.473 -16.585 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -10.212 1.439 -16.691 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -9.611 0.991 -15.077 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -10.280 2.616 -15.358 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -8.946 3.010 -18.102 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -8.956 4.251 -16.827 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -7.413 3.707 -17.527 1.00 0.00 H new ATOM 703 N VAL A 43 -6.815 -0.500 -14.665 1.00 0.00 N ATOM 704 CA VAL A 43 -6.058 -1.582 -15.280 1.00 0.00 C ATOM 705 C VAL A 43 -6.842 -2.195 -16.434 1.00 0.00 C ATOM 706 O VAL A 43 -7.956 -1.766 -16.738 1.00 0.00 O ATOM 707 CB VAL A 43 -5.698 -2.689 -14.260 1.00 0.00 C ATOM 708 CG1 VAL A 43 -4.858 -2.127 -13.121 1.00 0.00 C ATOM 709 CG2 VAL A 43 -6.953 -3.360 -13.719 1.00 0.00 C ATOM 0 H VAL A 43 -7.754 -0.760 -14.363 1.00 0.00 H new ATOM 0 HA VAL A 43 -5.131 -1.148 -15.655 1.00 0.00 H new ATOM 0 HB VAL A 43 -5.106 -3.442 -14.780 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -4.618 -2.925 -12.418 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -3.935 -1.707 -13.522 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -5.418 -1.346 -12.607 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -6.673 -4.134 -13.004 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -7.578 -2.617 -13.223 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -7.508 -3.810 -14.542 1.00 0.00 H new ATOM 719 N GLY A 44 -6.246 -3.182 -17.079 1.00 0.00 N ATOM 720 CA GLY A 44 -6.909 -3.882 -18.161 1.00 0.00 C ATOM 721 C GLY A 44 -6.584 -5.356 -18.126 1.00 0.00 C ATOM 722 O GLY A 44 -5.581 -5.788 -18.693 1.00 0.00 O ATOM 0 H GLY A 44 -5.305 -3.516 -16.871 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -7.987 -3.741 -18.084 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -6.599 -3.460 -19.117 1.00 0.00 H new ATOM 726 N GLN A 45 -7.419 -6.125 -17.444 1.00 0.00 N ATOM 727 CA GLN A 45 -7.145 -7.536 -17.222 1.00 0.00 C ATOM 728 C GLN A 45 -7.830 -8.414 -18.257 1.00 0.00 C ATOM 729 O GLN A 45 -9.037 -8.316 -18.470 1.00 0.00 O ATOM 730 CB GLN A 45 -7.584 -7.957 -15.818 1.00 0.00 C ATOM 731 CG GLN A 45 -6.737 -7.355 -14.713 1.00 0.00 C ATOM 732 CD GLN A 45 -7.208 -7.740 -13.326 1.00 0.00 C ATOM 733 OE1 GLN A 45 -7.024 -6.990 -12.372 1.00 0.00 O ATOM 734 NE2 GLN A 45 -7.827 -8.906 -13.203 1.00 0.00 N ATOM 0 H GLN A 45 -8.293 -5.795 -17.034 1.00 0.00 H new ATOM 0 HA GLN A 45 -6.068 -7.673 -17.320 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -8.623 -7.665 -15.668 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -7.544 -9.044 -15.744 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -5.703 -7.675 -14.841 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -6.748 -6.269 -14.806 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -7.961 -9.501 -14.020 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -8.170 -9.208 -12.291 1.00 0.00 H new ATOM 743 N PRO A 46 -7.052 -9.284 -18.912 1.00 0.00 N ATOM 744 CA PRO A 46 -7.579 -10.276 -19.847 1.00 0.00 C ATOM 745 C PRO A 46 -8.177 -11.474 -19.115 1.00 0.00 C ATOM 746 O PRO A 46 -8.847 -12.314 -19.711 1.00 0.00 O ATOM 747 CB PRO A 46 -6.343 -10.689 -20.646 1.00 0.00 C ATOM 748 CG PRO A 46 -5.204 -10.499 -19.706 1.00 0.00 C ATOM 749 CD PRO A 46 -5.584 -9.353 -18.802 1.00 0.00 C ATOM 0 HA PRO A 46 -8.386 -9.885 -20.467 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -6.414 -11.725 -20.978 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -6.226 -10.075 -21.539 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -5.022 -11.405 -19.128 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -4.285 -10.277 -20.249 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -5.269 -9.534 -17.774 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -5.116 -8.422 -19.120 1.00 0.00 H new ATOM 757 N GLN A 47 -7.926 -11.533 -17.813 1.00 0.00 N ATOM 758 CA GLN A 47 -8.436 -12.601 -16.968 1.00 0.00 C ATOM 759 C GLN A 47 -9.546 -12.067 -16.072 1.00 0.00 C ATOM 760 O GLN A 47 -9.419 -10.979 -15.503 1.00 0.00 O ATOM 761 CB GLN A 47 -7.301 -13.187 -16.116 1.00 0.00 C ATOM 762 CG GLN A 47 -7.753 -14.256 -15.131 1.00 0.00 C ATOM 763 CD GLN A 47 -8.396 -15.448 -15.811 1.00 0.00 C ATOM 764 OE1 GLN A 47 -8.048 -15.803 -16.935 1.00 0.00 O ATOM 765 NE2 GLN A 47 -9.353 -16.069 -15.138 1.00 0.00 N ATOM 0 H GLN A 47 -7.364 -10.842 -17.316 1.00 0.00 H new ATOM 0 HA GLN A 47 -8.842 -13.391 -17.600 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -6.547 -13.613 -16.778 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -6.821 -12.379 -15.564 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -6.895 -14.594 -14.550 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -8.462 -13.819 -14.428 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -9.614 -15.745 -14.207 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -9.829 -16.871 -15.551 1.00 0.00 H new ATOM 774 N ASP A 48 -10.630 -12.829 -15.960 1.00 0.00 N ATOM 775 CA ASP A 48 -11.772 -12.429 -15.146 1.00 0.00 C ATOM 776 C ASP A 48 -11.448 -12.506 -13.656 1.00 0.00 C ATOM 777 O ASP A 48 -10.396 -13.014 -13.251 1.00 0.00 O ATOM 778 CB ASP A 48 -13.006 -13.280 -15.474 1.00 0.00 C ATOM 779 CG ASP A 48 -12.789 -14.765 -15.259 1.00 0.00 C ATOM 780 OD1 ASP A 48 -12.231 -15.423 -16.161 1.00 0.00 O ATOM 781 OD2 ASP A 48 -13.204 -15.285 -14.203 1.00 0.00 O ATOM 0 H ASP A 48 -10.741 -13.730 -16.425 1.00 0.00 H new ATOM 0 HA ASP A 48 -11.998 -11.390 -15.387 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -13.841 -12.949 -14.856 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -13.291 -13.109 -16.512 1.00 0.00 H new ATOM 786 N TRP A 49 -12.370 -12.008 -12.844 1.00 0.00 N ATOM 787 CA TRP A 49 -12.123 -11.817 -11.421 1.00 0.00 C ATOM 788 C TRP A 49 -12.214 -13.104 -10.614 1.00 0.00 C ATOM 789 O TRP A 49 -12.505 -14.176 -11.141 1.00 0.00 O ATOM 790 CB TRP A 49 -13.093 -10.784 -10.849 1.00 0.00 C ATOM 791 CG TRP A 49 -12.682 -9.381 -11.143 1.00 0.00 C ATOM 792 CD1 TRP A 49 -13.374 -8.446 -11.858 1.00 0.00 C ATOM 793 CD2 TRP A 49 -11.462 -8.760 -10.736 1.00 0.00 C ATOM 794 NE1 TRP A 49 -12.659 -7.274 -11.907 1.00 0.00 N ATOM 795 CE2 TRP A 49 -11.480 -7.444 -11.226 1.00 0.00 C ATOM 796 CE3 TRP A 49 -10.355 -9.191 -9.998 1.00 0.00 C ATOM 797 CZ2 TRP A 49 -10.433 -6.556 -11.002 1.00 0.00 C ATOM 798 CZ3 TRP A 49 -9.318 -8.309 -9.778 1.00 0.00 C ATOM 799 CH2 TRP A 49 -9.365 -7.006 -10.277 1.00 0.00 C ATOM 0 H TRP A 49 -13.302 -11.727 -13.149 1.00 0.00 H new ATOM 0 HA TRP A 49 -11.097 -11.460 -11.335 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -14.088 -10.960 -11.259 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -13.165 -10.918 -9.770 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -14.339 -8.604 -12.316 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -12.956 -6.417 -12.374 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -10.313 -10.197 -9.607 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -10.463 -5.547 -11.387 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -8.457 -8.631 -9.211 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -8.538 -6.338 -10.086 1.00 0.00 H new ATOM 810 N ASN A 50 -11.954 -12.965 -9.319 1.00 0.00 N ATOM 811 CA ASN A 50 -11.998 -14.077 -8.373 1.00 0.00 C ATOM 812 C ASN A 50 -13.395 -14.694 -8.293 1.00 0.00 C ATOM 813 O ASN A 50 -13.540 -15.913 -8.212 1.00 0.00 O ATOM 814 CB ASN A 50 -11.544 -13.581 -6.992 1.00 0.00 C ATOM 815 CG ASN A 50 -12.156 -14.356 -5.841 1.00 0.00 C ATOM 816 OD1 ASN A 50 -13.206 -13.983 -5.333 1.00 0.00 O ATOM 817 ND2 ASN A 50 -11.508 -15.432 -5.422 1.00 0.00 N ATOM 0 H ASN A 50 -11.705 -12.073 -8.892 1.00 0.00 H new ATOM 0 HA ASN A 50 -11.323 -14.859 -8.722 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -10.458 -13.649 -6.929 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -11.804 -12.527 -6.889 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -11.881 -15.983 -4.649 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -10.636 -15.710 -5.872 1.00 0.00 H new ATOM 857 N GLN A 54 -16.781 -8.352 -3.665 1.00 0.00 N ATOM 858 CA GLN A 54 -16.929 -8.090 -2.244 1.00 0.00 C ATOM 859 C GLN A 54 -15.592 -8.361 -1.598 1.00 0.00 C ATOM 860 O GLN A 54 -15.270 -7.869 -0.516 1.00 0.00 O ATOM 861 CB GLN A 54 -18.028 -8.960 -1.628 1.00 0.00 C ATOM 862 CG GLN A 54 -18.277 -8.677 -0.155 1.00 0.00 C ATOM 863 CD GLN A 54 -19.462 -9.441 0.406 1.00 0.00 C ATOM 864 OE1 GLN A 54 -19.477 -9.804 1.583 1.00 0.00 O ATOM 865 NE2 GLN A 54 -20.470 -9.678 -0.420 1.00 0.00 N ATOM 0 HA GLN A 54 -17.230 -7.055 -2.079 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -18.955 -8.805 -2.181 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -17.758 -10.009 -1.747 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -17.384 -8.934 0.414 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -18.444 -7.608 -0.020 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -20.421 -9.362 -1.388 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -21.295 -10.177 -0.088 1.00 0.00 H new ATOM 874 N ARG A 55 -14.810 -9.137 -2.319 1.00 0.00 N ATOM 875 CA ARG A 55 -13.450 -9.433 -1.951 1.00 0.00 C ATOM 876 C ARG A 55 -12.547 -8.242 -2.261 1.00 0.00 C ATOM 877 O ARG A 55 -12.494 -7.779 -3.399 1.00 0.00 O ATOM 878 CB ARG A 55 -12.983 -10.667 -2.716 1.00 0.00 C ATOM 879 CG ARG A 55 -13.105 -11.959 -1.932 1.00 0.00 C ATOM 880 CD ARG A 55 -14.530 -12.288 -1.513 1.00 0.00 C ATOM 881 NE ARG A 55 -15.275 -12.976 -2.566 1.00 0.00 N ATOM 882 CZ ARG A 55 -15.028 -14.230 -2.967 1.00 0.00 C ATOM 883 NH1 ARG A 55 -14.033 -14.932 -2.429 1.00 0.00 N ATOM 884 NH2 ARG A 55 -15.792 -14.786 -3.893 1.00 0.00 N ATOM 0 H ARG A 55 -15.109 -9.583 -3.186 1.00 0.00 H new ATOM 0 HA ARG A 55 -13.398 -9.630 -0.880 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -13.564 -10.754 -3.634 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -11.942 -10.528 -3.009 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -12.715 -12.778 -2.536 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -12.480 -11.894 -1.042 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -14.508 -12.912 -0.620 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -15.049 -11.368 -1.246 1.00 0.00 H new ATOM 0 HE ARG A 55 -16.032 -12.469 -3.025 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -13.449 -14.516 -1.703 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -13.854 -15.886 -2.742 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -16.566 -14.260 -4.299 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -15.607 -15.741 -4.201 1.00 0.00 H new ATOM 898 N PRO A 56 -11.844 -7.719 -1.245 1.00 0.00 N ATOM 899 CA PRO A 56 -10.922 -6.594 -1.421 1.00 0.00 C ATOM 900 C PRO A 56 -9.731 -6.963 -2.297 1.00 0.00 C ATOM 901 O PRO A 56 -9.196 -8.070 -2.201 1.00 0.00 O ATOM 902 CB PRO A 56 -10.461 -6.273 0.006 1.00 0.00 C ATOM 903 CG PRO A 56 -10.695 -7.527 0.776 1.00 0.00 C ATOM 904 CD PRO A 56 -11.897 -8.177 0.153 1.00 0.00 C ATOM 0 HA PRO A 56 -11.399 -5.751 -1.922 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -9.409 -5.987 0.026 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -11.026 -5.441 0.426 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -9.826 -8.184 0.726 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -10.871 -7.311 1.830 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -11.848 -9.264 0.222 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -12.820 -7.868 0.643 1.00 0.00 H new ATOM 912 N PHE A 57 -9.323 -6.039 -3.154 1.00 0.00 N ATOM 913 CA PHE A 57 -8.210 -6.273 -4.057 1.00 0.00 C ATOM 914 C PHE A 57 -7.019 -5.421 -3.636 1.00 0.00 C ATOM 915 O PHE A 57 -7.200 -4.317 -3.129 1.00 0.00 O ATOM 916 CB PHE A 57 -8.619 -5.940 -5.502 1.00 0.00 C ATOM 917 CG PHE A 57 -9.805 -6.732 -5.997 1.00 0.00 C ATOM 918 CD1 PHE A 57 -10.908 -6.101 -6.572 1.00 0.00 C ATOM 919 CD2 PHE A 57 -9.824 -8.113 -5.872 1.00 0.00 C ATOM 920 CE1 PHE A 57 -11.991 -6.838 -7.012 1.00 0.00 C ATOM 921 CE2 PHE A 57 -10.907 -8.849 -6.313 1.00 0.00 C ATOM 922 CZ PHE A 57 -11.991 -8.211 -6.880 1.00 0.00 C ATOM 0 H PHE A 57 -9.749 -5.117 -3.242 1.00 0.00 H new ATOM 0 HA PHE A 57 -7.929 -7.325 -4.011 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -8.850 -4.877 -5.568 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -7.771 -6.123 -6.161 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -10.916 -5.026 -6.674 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -8.982 -8.620 -5.424 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -12.838 -6.339 -7.459 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -10.905 -9.924 -6.214 1.00 0.00 H new ATOM 0 HZ PHE A 57 -12.839 -8.786 -7.220 1.00 0.00 H new ATOM 932 N GLU A 58 -5.810 -5.931 -3.812 1.00 0.00 N ATOM 933 CA GLU A 58 -4.620 -5.138 -3.540 1.00 0.00 C ATOM 934 C GLU A 58 -3.803 -4.978 -4.808 1.00 0.00 C ATOM 935 O GLU A 58 -3.421 -5.961 -5.433 1.00 0.00 O ATOM 936 CB GLU A 58 -3.751 -5.779 -2.451 1.00 0.00 C ATOM 937 CG GLU A 58 -2.514 -4.954 -2.115 1.00 0.00 C ATOM 938 CD GLU A 58 -1.575 -5.638 -1.135 1.00 0.00 C ATOM 939 OE1 GLU A 58 -1.893 -5.672 0.071 1.00 0.00 O ATOM 940 OE2 GLU A 58 -0.505 -6.119 -1.564 1.00 0.00 O ATOM 0 H GLU A 58 -5.627 -6.880 -4.138 1.00 0.00 H new ATOM 0 HA GLU A 58 -4.948 -4.161 -3.184 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -4.348 -5.913 -1.549 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -3.441 -6.772 -2.778 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -1.971 -4.737 -3.035 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -2.828 -3.997 -1.697 1.00 0.00 H new ATOM 947 N ALA A 59 -3.542 -3.743 -5.190 1.00 0.00 N ATOM 948 CA ALA A 59 -2.675 -3.480 -6.320 1.00 0.00 C ATOM 949 C ALA A 59 -1.277 -3.195 -5.810 1.00 0.00 C ATOM 950 O ALA A 59 -1.020 -2.148 -5.211 1.00 0.00 O ATOM 951 CB ALA A 59 -3.195 -2.321 -7.155 1.00 0.00 C ATOM 0 H ALA A 59 -3.916 -2.910 -4.736 1.00 0.00 H new ATOM 0 HA ALA A 59 -2.654 -4.357 -6.967 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -2.523 -2.148 -7.996 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -4.190 -2.560 -7.529 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -3.245 -1.423 -6.540 1.00 0.00 H new ATOM 957 N ARG A 60 -0.392 -4.151 -6.005 1.00 0.00 N ATOM 958 CA ARG A 60 0.954 -4.055 -5.483 1.00 0.00 C ATOM 959 C ARG A 60 1.915 -3.724 -6.612 1.00 0.00 C ATOM 960 O ARG A 60 2.121 -4.530 -7.521 1.00 0.00 O ATOM 961 CB ARG A 60 1.333 -5.371 -4.804 1.00 0.00 C ATOM 962 CG ARG A 60 2.412 -5.238 -3.746 1.00 0.00 C ATOM 963 CD ARG A 60 2.503 -6.503 -2.913 1.00 0.00 C ATOM 964 NE ARG A 60 3.439 -6.377 -1.800 1.00 0.00 N ATOM 965 CZ ARG A 60 3.085 -6.434 -0.515 1.00 0.00 C ATOM 966 NH1 ARG A 60 1.804 -6.537 -0.171 1.00 0.00 N ATOM 967 NH2 ARG A 60 4.018 -6.375 0.430 1.00 0.00 N ATOM 0 H ARG A 60 -0.583 -5.008 -6.524 1.00 0.00 H new ATOM 0 HA ARG A 60 1.010 -3.258 -4.742 1.00 0.00 H new ATOM 0 HB2 ARG A 60 0.442 -5.800 -4.346 1.00 0.00 H new ATOM 0 HB3 ARG A 60 1.671 -6.075 -5.565 1.00 0.00 H new ATOM 0 HG2 ARG A 60 3.373 -5.040 -4.222 1.00 0.00 H new ATOM 0 HG3 ARG A 60 2.194 -4.387 -3.101 1.00 0.00 H new ATOM 0 HD2 ARG A 60 1.515 -6.750 -2.525 1.00 0.00 H new ATOM 0 HD3 ARG A 60 2.812 -7.332 -3.550 1.00 0.00 H new ATOM 0 HE ARG A 60 4.425 -6.237 -2.018 1.00 0.00 H new ATOM 0 HH11 ARG A 60 1.084 -6.573 -0.892 1.00 0.00 H new ATOM 0 HH12 ARG A 60 1.542 -6.580 0.814 1.00 0.00 H new ATOM 0 HH21 ARG A 60 5.001 -6.286 0.172 1.00 0.00 H new ATOM 0 HH22 ARG A 60 3.751 -6.418 1.414 1.00 0.00 H new ATOM 981 N LEU A 61 2.479 -2.529 -6.558 1.00 0.00 N ATOM 982 CA LEU A 61 3.357 -2.050 -7.614 1.00 0.00 C ATOM 983 C LEU A 61 4.816 -2.217 -7.212 1.00 0.00 C ATOM 984 O LEU A 61 5.261 -1.672 -6.195 1.00 0.00 O ATOM 985 CB LEU A 61 3.060 -0.578 -7.915 1.00 0.00 C ATOM 986 CG LEU A 61 1.611 -0.274 -8.304 1.00 0.00 C ATOM 987 CD1 LEU A 61 1.411 1.224 -8.485 1.00 0.00 C ATOM 988 CD2 LEU A 61 1.227 -1.020 -9.573 1.00 0.00 C ATOM 0 H LEU A 61 2.344 -1.870 -5.791 1.00 0.00 H new ATOM 0 HA LEU A 61 3.175 -2.641 -8.512 1.00 0.00 H new ATOM 0 HB2 LEU A 61 3.316 0.015 -7.037 1.00 0.00 H new ATOM 0 HB3 LEU A 61 3.713 -0.250 -8.723 1.00 0.00 H new ATOM 0 HG LEU A 61 0.962 -0.615 -7.498 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.375 1.422 -8.761 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.642 1.737 -7.552 1.00 0.00 H new ATOM 0 HD13 LEU A 61 2.072 1.587 -9.272 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.193 -0.790 -9.832 1.00 0.00 H new ATOM 0 HD22 LEU A 61 1.882 -0.713 -10.388 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.330 -2.093 -9.410 1.00 0.00 H new ATOM 1000 N TYR A 62 5.550 -2.980 -8.009 1.00 0.00 N ATOM 1001 CA TYR A 62 6.950 -3.262 -7.726 1.00 0.00 C ATOM 1002 C TYR A 62 7.861 -2.261 -8.419 1.00 0.00 C ATOM 1003 O TYR A 62 8.148 -2.387 -9.607 1.00 0.00 O ATOM 1004 CB TYR A 62 7.317 -4.678 -8.177 1.00 0.00 C ATOM 1005 CG TYR A 62 6.620 -5.769 -7.394 1.00 0.00 C ATOM 1006 CD1 TYR A 62 7.345 -6.643 -6.597 1.00 0.00 C ATOM 1007 CD2 TYR A 62 5.239 -5.917 -7.443 1.00 0.00 C ATOM 1008 CE1 TYR A 62 6.714 -7.630 -5.870 1.00 0.00 C ATOM 1009 CE2 TYR A 62 4.603 -6.903 -6.721 1.00 0.00 C ATOM 1010 CZ TYR A 62 5.343 -7.756 -5.936 1.00 0.00 C ATOM 1011 OH TYR A 62 4.708 -8.732 -5.211 1.00 0.00 O ATOM 0 H TYR A 62 5.197 -3.417 -8.861 1.00 0.00 H new ATOM 0 HA TYR A 62 7.090 -3.179 -6.648 1.00 0.00 H new ATOM 0 HB2 TYR A 62 7.071 -4.788 -9.233 1.00 0.00 H new ATOM 0 HB3 TYR A 62 8.395 -4.810 -8.086 1.00 0.00 H new ATOM 0 HD1 TYR A 62 8.420 -6.549 -6.545 1.00 0.00 H new ATOM 0 HD2 TYR A 62 4.655 -5.248 -8.057 1.00 0.00 H new ATOM 0 HE1 TYR A 62 7.291 -8.301 -5.252 1.00 0.00 H new ATOM 0 HE2 TYR A 62 3.529 -7.006 -6.771 1.00 0.00 H new ATOM 0 HH TYR A 62 3.888 -9.003 -5.675 1.00 0.00 H new ATOM 1021 N LEU A 63 8.301 -1.261 -7.675 1.00 0.00 N ATOM 1022 CA LEU A 63 9.264 -0.298 -8.193 1.00 0.00 C ATOM 1023 C LEU A 63 10.667 -0.720 -7.795 1.00 0.00 C ATOM 1024 O LEU A 63 11.654 -0.071 -8.141 1.00 0.00 O ATOM 1025 CB LEU A 63 8.969 1.120 -7.687 1.00 0.00 C ATOM 1026 CG LEU A 63 7.796 1.838 -8.369 1.00 0.00 C ATOM 1027 CD1 LEU A 63 7.977 1.842 -9.881 1.00 0.00 C ATOM 1028 CD2 LEU A 63 6.466 1.204 -7.990 1.00 0.00 C ATOM 0 H LEU A 63 8.009 -1.093 -6.712 1.00 0.00 H new ATOM 0 HA LEU A 63 9.183 -0.281 -9.280 1.00 0.00 H new ATOM 0 HB2 LEU A 63 8.768 1.070 -6.617 1.00 0.00 H new ATOM 0 HB3 LEU A 63 9.866 1.726 -7.815 1.00 0.00 H new ATOM 0 HG LEU A 63 7.786 2.870 -8.018 1.00 0.00 H new ATOM 0 HD11 LEU A 63 7.136 2.355 -10.347 1.00 0.00 H new ATOM 0 HD12 LEU A 63 8.903 2.358 -10.135 1.00 0.00 H new ATOM 0 HD13 LEU A 63 8.022 0.815 -10.245 1.00 0.00 H new ATOM 0 HD21 LEU A 63 5.655 1.735 -8.489 1.00 0.00 H new ATOM 0 HD22 LEU A 63 6.460 0.159 -8.299 1.00 0.00 H new ATOM 0 HD23 LEU A 63 6.329 1.264 -6.910 1.00 0.00 H new ATOM 1040 N GLY A 64 10.737 -1.817 -7.062 1.00 0.00 N ATOM 1041 CA GLY A 64 12.001 -2.372 -6.649 1.00 0.00 C ATOM 1042 C GLY A 64 11.797 -3.576 -5.762 1.00 0.00 C ATOM 1043 O GLY A 64 10.666 -4.021 -5.574 1.00 0.00 O ATOM 0 H GLY A 64 9.922 -2.340 -6.741 1.00 0.00 H new ATOM 0 HA2 GLY A 64 12.582 -2.656 -7.526 1.00 0.00 H new ATOM 0 HA3 GLY A 64 12.578 -1.616 -6.116 1.00 0.00 H new ATOM 1047 N LEU A 65 12.882 -4.105 -5.219 1.00 0.00 N ATOM 1048 CA LEU A 65 12.797 -5.227 -4.292 1.00 0.00 C ATOM 1049 C LEU A 65 12.303 -4.722 -2.940 1.00 0.00 C ATOM 1050 O LEU A 65 11.492 -5.365 -2.273 1.00 0.00 O ATOM 1051 CB LEU A 65 14.174 -5.909 -4.164 1.00 0.00 C ATOM 1052 CG LEU A 65 14.203 -7.283 -3.465 1.00 0.00 C ATOM 1053 CD1 LEU A 65 14.107 -7.143 -1.952 1.00 0.00 C ATOM 1054 CD2 LEU A 65 13.082 -8.172 -3.987 1.00 0.00 C ATOM 0 H LEU A 65 13.831 -3.778 -5.402 1.00 0.00 H new ATOM 0 HA LEU A 65 12.091 -5.968 -4.667 1.00 0.00 H new ATOM 0 HB2 LEU A 65 14.590 -6.027 -5.165 1.00 0.00 H new ATOM 0 HB3 LEU A 65 14.838 -5.237 -3.621 1.00 0.00 H new ATOM 0 HG LEU A 65 15.160 -7.750 -3.696 1.00 0.00 H new ATOM 0 HD11 LEU A 65 14.130 -8.131 -1.493 1.00 0.00 H new ATOM 0 HD12 LEU A 65 14.948 -6.553 -1.587 1.00 0.00 H new ATOM 0 HD13 LEU A 65 13.174 -6.644 -1.691 1.00 0.00 H new ATOM 0 HD21 LEU A 65 13.118 -9.137 -3.482 1.00 0.00 H new ATOM 0 HD22 LEU A 65 12.120 -7.697 -3.793 1.00 0.00 H new ATOM 0 HD23 LEU A 65 13.204 -8.319 -5.060 1.00 0.00 H new ATOM 1066 N ASP A 66 12.776 -3.545 -2.564 1.00 0.00 N ATOM 1067 CA ASP A 66 12.447 -2.962 -1.270 1.00 0.00 C ATOM 1068 C ASP A 66 11.255 -2.014 -1.384 1.00 0.00 C ATOM 1069 O ASP A 66 10.555 -1.756 -0.404 1.00 0.00 O ATOM 1070 CB ASP A 66 13.663 -2.212 -0.718 1.00 0.00 C ATOM 1071 CG ASP A 66 13.479 -1.754 0.716 1.00 0.00 C ATOM 1072 OD1 ASP A 66 13.672 -2.579 1.634 1.00 0.00 O ATOM 1073 OD2 ASP A 66 13.176 -0.566 0.936 1.00 0.00 O ATOM 0 H ASP A 66 13.392 -2.971 -3.139 1.00 0.00 H new ATOM 0 HA ASP A 66 12.176 -3.767 -0.587 1.00 0.00 H new ATOM 0 HB2 ASP A 66 14.539 -2.858 -0.777 1.00 0.00 H new ATOM 0 HB3 ASP A 66 13.864 -1.345 -1.347 1.00 0.00 H new ATOM 1078 N VAL A 67 11.014 -1.515 -2.589 1.00 0.00 N ATOM 1079 CA VAL A 67 9.983 -0.509 -2.801 1.00 0.00 C ATOM 1080 C VAL A 67 8.703 -1.126 -3.352 1.00 0.00 C ATOM 1081 O VAL A 67 8.630 -1.491 -4.530 1.00 0.00 O ATOM 1082 CB VAL A 67 10.464 0.600 -3.760 1.00 0.00 C ATOM 1083 CG1 VAL A 67 9.395 1.670 -3.933 1.00 0.00 C ATOM 1084 CG2 VAL A 67 11.758 1.215 -3.255 1.00 0.00 C ATOM 0 H VAL A 67 11.517 -1.790 -3.433 1.00 0.00 H new ATOM 0 HA VAL A 67 9.773 -0.070 -1.826 1.00 0.00 H new ATOM 0 HB VAL A 67 10.652 0.149 -4.734 1.00 0.00 H new ATOM 0 HG11 VAL A 67 9.758 2.440 -4.613 1.00 0.00 H new ATOM 0 HG12 VAL A 67 8.492 1.219 -4.344 1.00 0.00 H new ATOM 0 HG13 VAL A 67 9.169 2.118 -2.965 1.00 0.00 H new ATOM 0 HG21 VAL A 67 12.083 1.995 -3.943 1.00 0.00 H new ATOM 0 HG22 VAL A 67 11.594 1.647 -2.268 1.00 0.00 H new ATOM 0 HG23 VAL A 67 12.526 0.445 -3.191 1.00 0.00 H new ATOM 1094 N LEU A 68 7.705 -1.250 -2.494 1.00 0.00 N ATOM 1095 CA LEU A 68 6.391 -1.710 -2.909 1.00 0.00 C ATOM 1096 C LEU A 68 5.356 -0.624 -2.683 1.00 0.00 C ATOM 1097 O LEU A 68 5.247 -0.076 -1.586 1.00 0.00 O ATOM 1098 CB LEU A 68 5.965 -2.970 -2.144 1.00 0.00 C ATOM 1099 CG LEU A 68 6.592 -4.287 -2.610 1.00 0.00 C ATOM 1100 CD1 LEU A 68 6.507 -4.409 -4.121 1.00 0.00 C ATOM 1101 CD2 LEU A 68 8.031 -4.410 -2.139 1.00 0.00 C ATOM 0 H LEU A 68 7.781 -1.037 -1.499 1.00 0.00 H new ATOM 0 HA LEU A 68 6.454 -1.950 -3.970 1.00 0.00 H new ATOM 0 HB2 LEU A 68 6.206 -2.829 -1.090 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.881 -3.063 -2.213 1.00 0.00 H new ATOM 0 HG LEU A 68 6.027 -5.106 -2.164 1.00 0.00 H new ATOM 0 HD11 LEU A 68 6.957 -5.350 -4.436 1.00 0.00 H new ATOM 0 HD12 LEU A 68 5.462 -4.385 -4.430 1.00 0.00 H new ATOM 0 HD13 LEU A 68 7.041 -3.579 -4.584 1.00 0.00 H new ATOM 0 HD21 LEU A 68 8.448 -5.356 -2.486 1.00 0.00 H new ATOM 0 HD22 LEU A 68 8.618 -3.585 -2.543 1.00 0.00 H new ATOM 0 HD23 LEU A 68 8.061 -4.378 -1.050 1.00 0.00 H new ATOM 1113 N ILE A 69 4.612 -0.299 -3.722 1.00 0.00 N ATOM 1114 CA ILE A 69 3.483 0.600 -3.585 1.00 0.00 C ATOM 1115 C ILE A 69 2.208 -0.221 -3.506 1.00 0.00 C ATOM 1116 O ILE A 69 1.752 -0.769 -4.508 1.00 0.00 O ATOM 1117 CB ILE A 69 3.388 1.607 -4.755 1.00 0.00 C ATOM 1118 CG1 ILE A 69 4.646 2.480 -4.808 1.00 0.00 C ATOM 1119 CG2 ILE A 69 2.140 2.474 -4.617 1.00 0.00 C ATOM 1120 CD1 ILE A 69 4.623 3.517 -5.913 1.00 0.00 C ATOM 0 H ILE A 69 4.769 -0.643 -4.669 1.00 0.00 H new ATOM 0 HA ILE A 69 3.622 1.181 -2.674 1.00 0.00 H new ATOM 0 HB ILE A 69 3.314 1.048 -5.688 1.00 0.00 H new ATOM 0 HG12 ILE A 69 4.767 2.986 -3.850 1.00 0.00 H new ATOM 0 HG13 ILE A 69 5.517 1.839 -4.942 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.091 3.176 -5.449 1.00 0.00 H new ATOM 0 HG22 ILE A 69 1.254 1.840 -4.624 1.00 0.00 H new ATOM 0 HG23 ILE A 69 2.183 3.027 -3.678 1.00 0.00 H new ATOM 0 HD11 ILE A 69 5.546 4.096 -5.888 1.00 0.00 H new ATOM 0 HD12 ILE A 69 4.534 3.018 -6.878 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.772 4.183 -5.769 1.00 0.00 H new ATOM 1132 N ARG A 70 1.660 -0.346 -2.309 1.00 0.00 N ATOM 1133 CA ARG A 70 0.463 -1.142 -2.121 1.00 0.00 C ATOM 1134 C ARG A 70 -0.746 -0.239 -1.950 1.00 0.00 C ATOM 1135 O ARG A 70 -0.690 0.776 -1.253 1.00 0.00 O ATOM 1136 CB ARG A 70 0.591 -2.079 -0.910 1.00 0.00 C ATOM 1137 CG ARG A 70 0.539 -1.368 0.435 1.00 0.00 C ATOM 1138 CD ARG A 70 0.392 -2.350 1.589 1.00 0.00 C ATOM 1139 NE ARG A 70 -0.766 -3.233 1.419 1.00 0.00 N ATOM 1140 CZ ARG A 70 -1.903 -3.136 2.111 1.00 0.00 C ATOM 1141 NH1 ARG A 70 -2.086 -2.148 2.981 1.00 0.00 N ATOM 1142 NH2 ARG A 70 -2.870 -4.025 1.907 1.00 0.00 N ATOM 0 H ARG A 70 2.022 0.090 -1.461 1.00 0.00 H new ATOM 0 HA ARG A 70 0.333 -1.758 -3.011 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -0.210 -2.818 -0.950 1.00 0.00 H new ATOM 0 HB3 ARG A 70 1.532 -2.625 -0.984 1.00 0.00 H new ATOM 0 HG2 ARG A 70 1.447 -0.781 0.571 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -0.297 -0.669 0.444 1.00 0.00 H new ATOM 0 HD2 ARG A 70 1.297 -2.952 1.670 1.00 0.00 H new ATOM 0 HD3 ARG A 70 0.292 -1.798 2.523 1.00 0.00 H new ATOM 0 HE ARG A 70 -0.698 -3.975 0.722 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -1.353 -1.453 3.126 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -2.959 -2.084 3.504 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -2.740 -4.773 1.226 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -3.742 -3.959 2.431 1.00 0.00 H new ATOM 1156 N MET A 71 -1.825 -0.592 -2.611 1.00 0.00 N ATOM 1157 CA MET A 71 -3.078 0.101 -2.420 1.00 0.00 C ATOM 1158 C MET A 71 -4.210 -0.899 -2.264 1.00 0.00 C ATOM 1159 O MET A 71 -4.545 -1.632 -3.195 1.00 0.00 O ATOM 1160 CB MET A 71 -3.364 1.079 -3.567 1.00 0.00 C ATOM 1161 CG MET A 71 -3.282 0.467 -4.955 1.00 0.00 C ATOM 1162 SD MET A 71 -3.833 1.601 -6.244 1.00 0.00 S ATOM 1163 CE MET A 71 -2.752 3.000 -5.957 1.00 0.00 C ATOM 0 H MET A 71 -1.860 -1.356 -3.286 1.00 0.00 H new ATOM 0 HA MET A 71 -3.002 0.690 -1.506 1.00 0.00 H new ATOM 0 HB2 MET A 71 -4.360 1.500 -3.428 1.00 0.00 H new ATOM 0 HB3 MET A 71 -2.657 1.906 -3.507 1.00 0.00 H new ATOM 0 HG2 MET A 71 -2.254 0.166 -5.156 1.00 0.00 H new ATOM 0 HG3 MET A 71 -3.890 -0.437 -4.986 1.00 0.00 H new ATOM 0 HE1 MET A 71 -2.780 3.665 -6.820 1.00 0.00 H new ATOM 0 HE2 MET A 71 -3.085 3.541 -5.071 1.00 0.00 H new ATOM 0 HE3 MET A 71 -1.732 2.647 -5.804 1.00 0.00 H new ATOM 1173 N GLU A 72 -4.765 -0.948 -1.066 1.00 0.00 N ATOM 1174 CA GLU A 72 -5.913 -1.780 -0.793 1.00 0.00 C ATOM 1175 C GLU A 72 -7.128 -1.086 -1.383 1.00 0.00 C ATOM 1176 O GLU A 72 -7.549 -0.033 -0.905 1.00 0.00 O ATOM 1177 CB GLU A 72 -6.059 -1.974 0.714 1.00 0.00 C ATOM 1178 CG GLU A 72 -6.729 -3.274 1.117 1.00 0.00 C ATOM 1179 CD GLU A 72 -6.509 -3.588 2.582 1.00 0.00 C ATOM 1180 OE1 GLU A 72 -5.407 -4.072 2.927 1.00 0.00 O ATOM 1181 OE2 GLU A 72 -7.416 -3.334 3.400 1.00 0.00 O ATOM 0 H GLU A 72 -4.432 -0.414 -0.263 1.00 0.00 H new ATOM 0 HA GLU A 72 -5.803 -2.768 -1.240 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -5.070 -1.932 1.171 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -6.634 -1.142 1.121 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -7.798 -3.210 0.915 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -6.338 -4.089 0.508 1.00 0.00 H new ATOM 1188 N ILE A 73 -7.660 -1.649 -2.441 1.00 0.00 N ATOM 1189 CA ILE A 73 -8.623 -0.950 -3.266 1.00 0.00 C ATOM 1190 C ILE A 73 -9.929 -1.711 -3.401 1.00 0.00 C ATOM 1191 O ILE A 73 -9.969 -2.942 -3.323 1.00 0.00 O ATOM 1192 CB ILE A 73 -8.032 -0.694 -4.666 1.00 0.00 C ATOM 1193 CG1 ILE A 73 -7.316 -1.955 -5.161 1.00 0.00 C ATOM 1194 CG2 ILE A 73 -7.090 0.501 -4.636 1.00 0.00 C ATOM 1195 CD1 ILE A 73 -6.570 -1.780 -6.462 1.00 0.00 C ATOM 0 H ILE A 73 -7.442 -2.595 -2.755 1.00 0.00 H new ATOM 0 HA ILE A 73 -8.841 -0.003 -2.771 1.00 0.00 H new ATOM 0 HB ILE A 73 -8.839 -0.460 -5.361 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -6.613 -2.283 -4.395 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -8.051 -2.751 -5.282 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -6.682 0.668 -5.633 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -7.637 1.388 -4.315 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -6.276 0.305 -3.938 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.094 -2.721 -6.738 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -7.268 -1.484 -7.245 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -5.809 -1.009 -6.344 1.00 0.00 H new ATOM 1207 N SER A 74 -10.998 -0.963 -3.593 1.00 0.00 N ATOM 1208 CA SER A 74 -12.308 -1.543 -3.825 1.00 0.00 C ATOM 1209 C SER A 74 -12.712 -1.333 -5.277 1.00 0.00 C ATOM 1210 O SER A 74 -12.787 -0.195 -5.749 1.00 0.00 O ATOM 1211 CB SER A 74 -13.342 -0.903 -2.899 1.00 0.00 C ATOM 1212 OG SER A 74 -12.941 -0.999 -1.545 1.00 0.00 O ATOM 0 H SER A 74 -10.985 0.057 -3.593 1.00 0.00 H new ATOM 0 HA SER A 74 -12.264 -2.612 -3.614 1.00 0.00 H new ATOM 0 HB2 SER A 74 -13.477 0.145 -3.168 1.00 0.00 H new ATOM 0 HB3 SER A 74 -14.307 -1.393 -3.032 1.00 0.00 H new ATOM 0 HG SER A 74 -13.618 -0.581 -0.973 1.00 0.00 H new ATOM 1218 N LEU A 75 -12.950 -2.425 -5.992 1.00 0.00 N ATOM 1219 CA LEU A 75 -13.370 -2.327 -7.380 1.00 0.00 C ATOM 1220 C LEU A 75 -14.817 -1.863 -7.463 1.00 0.00 C ATOM 1221 O LEU A 75 -15.742 -2.619 -7.168 1.00 0.00 O ATOM 1222 CB LEU A 75 -13.229 -3.662 -8.112 1.00 0.00 C ATOM 1223 CG LEU A 75 -13.567 -3.575 -9.601 1.00 0.00 C ATOM 1224 CD1 LEU A 75 -12.316 -3.384 -10.440 1.00 0.00 C ATOM 1225 CD2 LEU A 75 -14.352 -4.787 -10.071 1.00 0.00 C ATOM 0 H LEU A 75 -12.860 -3.377 -5.638 1.00 0.00 H new ATOM 0 HA LEU A 75 -12.718 -1.599 -7.863 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -12.207 -4.024 -7.999 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -13.881 -4.397 -7.641 1.00 0.00 H new ATOM 0 HG LEU A 75 -14.201 -2.699 -9.735 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -12.590 -3.326 -11.493 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -11.816 -2.462 -10.144 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -11.643 -4.227 -10.286 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -14.573 -4.688 -11.134 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -13.763 -5.689 -9.906 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -15.285 -4.856 -9.511 1.00 0.00 H new ATOM 1237 N ALA A 76 -15.008 -0.612 -7.843 1.00 0.00 N ATOM 1238 CA ALA A 76 -16.342 -0.081 -8.055 1.00 0.00 C ATOM 1239 C ALA A 76 -16.551 0.206 -9.533 1.00 0.00 C ATOM 1240 O ALA A 76 -17.637 0.602 -9.960 1.00 0.00 O ATOM 1241 CB ALA A 76 -16.555 1.177 -7.226 1.00 0.00 C ATOM 0 H ALA A 76 -14.255 0.055 -8.011 1.00 0.00 H new ATOM 0 HA ALA A 76 -17.074 -0.822 -7.734 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -17.561 1.560 -7.398 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -16.433 0.941 -6.169 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -15.824 1.932 -7.516 1.00 0.00 H new ATOM 1247 N TRP A 77 -15.501 -0.018 -10.313 1.00 0.00 N ATOM 1248 CA TRP A 77 -15.530 0.267 -11.732 1.00 0.00 C ATOM 1249 C TRP A 77 -15.205 -0.976 -12.516 1.00 0.00 C ATOM 1250 O TRP A 77 -14.339 -1.771 -12.156 1.00 0.00 O ATOM 1251 CB TRP A 77 -14.521 1.342 -12.060 1.00 0.00 C ATOM 1252 CG TRP A 77 -14.906 2.326 -13.122 1.00 0.00 C ATOM 1253 CD1 TRP A 77 -15.734 3.402 -12.970 1.00 0.00 C ATOM 1254 CD2 TRP A 77 -14.434 2.370 -14.474 1.00 0.00 C ATOM 1255 NE1 TRP A 77 -15.801 4.113 -14.140 1.00 0.00 N ATOM 1256 CE2 TRP A 77 -15.019 3.498 -15.080 1.00 0.00 C ATOM 1257 CE3 TRP A 77 -13.579 1.568 -15.234 1.00 0.00 C ATOM 1258 CZ2 TRP A 77 -14.767 3.847 -16.402 1.00 0.00 C ATOM 1259 CZ3 TRP A 77 -13.333 1.914 -16.547 1.00 0.00 C ATOM 1260 CH2 TRP A 77 -13.924 3.046 -17.121 1.00 0.00 C ATOM 0 H TRP A 77 -14.616 -0.399 -9.979 1.00 0.00 H new ATOM 0 HA TRP A 77 -16.529 0.611 -12.000 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -14.304 1.895 -11.146 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -13.594 0.857 -12.366 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -16.259 3.655 -12.061 1.00 0.00 H new ATOM 0 HE1 TRP A 77 -16.346 4.963 -14.286 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -13.118 0.692 -14.801 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 -15.221 4.721 -16.846 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 -12.673 1.301 -17.142 1.00 0.00 H new ATOM 0 HH2 TRP A 77 -13.710 3.291 -18.151 1.00 0.00 H new ATOM 1271 N ALA A 78 -15.896 -1.091 -13.595 1.00 0.00 N ATOM 1272 CA ALA A 78 -15.796 -2.234 -14.490 1.00 0.00 C ATOM 1273 C ALA A 78 -16.381 -1.885 -15.847 1.00 0.00 C ATOM 1274 O ALA A 78 -17.595 -1.752 -15.998 1.00 0.00 O ATOM 1275 CB ALA A 78 -16.500 -3.448 -13.897 1.00 0.00 C ATOM 0 H ALA A 78 -16.567 -0.388 -13.904 1.00 0.00 H new ATOM 0 HA ALA A 78 -14.743 -2.485 -14.617 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -16.412 -4.290 -14.583 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -16.039 -3.707 -12.944 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -17.553 -3.217 -13.739 1.00 0.00 H new ATOM 1281 N ARG A 79 -15.511 -1.719 -16.821 1.00 0.00 N ATOM 1282 CA ARG A 79 -15.915 -1.294 -18.147 1.00 0.00 C ATOM 1283 C ARG A 79 -15.393 -2.275 -19.193 1.00 0.00 C ATOM 1284 O ARG A 79 -14.355 -2.033 -19.812 1.00 0.00 O ATOM 1285 CB ARG A 79 -15.366 0.112 -18.401 1.00 0.00 C ATOM 1286 CG ARG A 79 -16.156 0.949 -19.390 1.00 0.00 C ATOM 1287 CD ARG A 79 -15.963 0.491 -20.828 1.00 0.00 C ATOM 1288 NE ARG A 79 -16.601 1.404 -21.771 1.00 0.00 N ATOM 1289 CZ ARG A 79 -16.416 1.378 -23.087 1.00 0.00 C ATOM 1290 NH1 ARG A 79 -15.632 0.461 -23.648 1.00 0.00 N ATOM 1291 NH2 ARG A 79 -17.020 2.279 -23.845 1.00 0.00 N ATOM 0 H ARG A 79 -14.508 -1.874 -16.718 1.00 0.00 H new ATOM 0 HA ARG A 79 -17.003 -1.275 -18.217 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -15.325 0.645 -17.451 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -14.341 0.024 -18.762 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -17.215 0.902 -19.136 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -15.853 1.992 -19.301 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -14.898 0.424 -21.049 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -16.378 -0.509 -20.951 1.00 0.00 H new ATOM 0 HE ARG A 79 -17.232 2.111 -21.394 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -15.164 -0.234 -23.067 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -15.499 0.453 -24.659 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -17.621 2.984 -23.418 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -16.885 2.268 -24.856 1.00 0.00 H new ATOM 1305 N ASP A 80 -16.111 -3.385 -19.358 1.00 0.00 N ATOM 1306 CA ASP A 80 -15.743 -4.446 -20.305 1.00 0.00 C ATOM 1307 C ASP A 80 -14.397 -5.083 -19.950 1.00 0.00 C ATOM 1308 O ASP A 80 -14.352 -6.147 -19.331 1.00 0.00 O ATOM 1309 CB ASP A 80 -15.728 -3.925 -21.747 1.00 0.00 C ATOM 1310 CG ASP A 80 -15.249 -4.969 -22.737 1.00 0.00 C ATOM 1311 OD1 ASP A 80 -14.127 -4.825 -23.264 1.00 0.00 O ATOM 1312 OD2 ASP A 80 -15.988 -5.945 -22.989 1.00 0.00 O ATOM 0 H ASP A 80 -16.968 -3.578 -18.839 1.00 0.00 H new ATOM 0 HA ASP A 80 -16.507 -5.219 -20.229 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -16.731 -3.601 -22.023 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -15.082 -3.049 -21.807 1.00 0.00 H new ATOM 1317 N GLY A 81 -13.310 -4.432 -20.342 1.00 0.00 N ATOM 1318 CA GLY A 81 -11.985 -4.938 -20.041 1.00 0.00 C ATOM 1319 C GLY A 81 -11.189 -3.966 -19.193 1.00 0.00 C ATOM 1320 O GLY A 81 -10.145 -4.314 -18.641 1.00 0.00 O ATOM 0 H GLY A 81 -13.323 -3.557 -20.866 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -12.070 -5.891 -19.518 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -11.450 -5.131 -20.971 1.00 0.00 H new ATOM 1324 N LEU A 82 -11.689 -2.743 -19.084 1.00 0.00 N ATOM 1325 CA LEU A 82 -11.041 -1.723 -18.278 1.00 0.00 C ATOM 1326 C LEU A 82 -11.563 -1.781 -16.853 1.00 0.00 C ATOM 1327 O LEU A 82 -12.739 -1.540 -16.603 1.00 0.00 O ATOM 1328 CB LEU A 82 -11.279 -0.335 -18.873 1.00 0.00 C ATOM 1329 CG LEU A 82 -10.694 -0.123 -20.269 1.00 0.00 C ATOM 1330 CD1 LEU A 82 -11.054 1.257 -20.793 1.00 0.00 C ATOM 1331 CD2 LEU A 82 -9.184 -0.306 -20.249 1.00 0.00 C ATOM 0 H LEU A 82 -12.544 -2.434 -19.546 1.00 0.00 H new ATOM 0 HA LEU A 82 -9.968 -1.913 -18.271 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -12.353 -0.153 -18.914 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -10.854 0.410 -18.200 1.00 0.00 H new ATOM 0 HG LEU A 82 -11.123 -0.869 -20.938 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -10.629 1.391 -21.788 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -12.138 1.355 -20.845 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -10.653 2.017 -20.122 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -8.785 -0.151 -21.252 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -8.739 0.417 -19.566 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -8.944 -1.316 -19.915 1.00 0.00 H new ATOM 1343 N LEU A 83 -10.691 -2.116 -15.927 1.00 0.00 N ATOM 1344 CA LEU A 83 -11.088 -2.305 -14.542 1.00 0.00 C ATOM 1345 C LEU A 83 -10.580 -1.157 -13.683 1.00 0.00 C ATOM 1346 O LEU A 83 -9.389 -0.849 -13.689 1.00 0.00 O ATOM 1347 CB LEU A 83 -10.552 -3.643 -14.035 1.00 0.00 C ATOM 1348 CG LEU A 83 -10.972 -4.851 -14.874 1.00 0.00 C ATOM 1349 CD1 LEU A 83 -10.198 -6.092 -14.463 1.00 0.00 C ATOM 1350 CD2 LEU A 83 -12.468 -5.091 -14.742 1.00 0.00 C ATOM 0 H LEU A 83 -9.698 -2.264 -16.106 1.00 0.00 H new ATOM 0 HA LEU A 83 -12.176 -2.315 -14.478 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -9.463 -3.597 -14.006 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -10.892 -3.792 -13.010 1.00 0.00 H new ATOM 0 HG LEU A 83 -10.742 -4.638 -15.918 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -10.515 -6.937 -15.074 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -9.131 -5.920 -14.607 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -10.392 -6.311 -13.413 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -12.753 -5.954 -15.344 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -12.715 -5.280 -13.697 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -13.010 -4.211 -15.089 1.00 0.00 H new ATOM 1362 N GLY A 84 -11.487 -0.524 -12.953 1.00 0.00 N ATOM 1363 CA GLY A 84 -11.123 0.625 -12.155 1.00 0.00 C ATOM 1364 C GLY A 84 -11.378 0.405 -10.679 1.00 0.00 C ATOM 1365 O GLY A 84 -12.415 -0.138 -10.288 1.00 0.00 O ATOM 0 H GLY A 84 -12.471 -0.788 -12.900 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -10.068 0.852 -12.309 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -11.688 1.493 -12.493 1.00 0.00 H new ATOM 1369 N PHE A 85 -10.436 0.820 -9.856 1.00 0.00 N ATOM 1370 CA PHE A 85 -10.552 0.639 -8.420 1.00 0.00 C ATOM 1371 C PHE A 85 -10.560 1.981 -7.714 1.00 0.00 C ATOM 1372 O PHE A 85 -9.868 2.911 -8.132 1.00 0.00 O ATOM 1373 CB PHE A 85 -9.382 -0.183 -7.885 1.00 0.00 C ATOM 1374 CG PHE A 85 -9.120 -1.466 -8.621 1.00 0.00 C ATOM 1375 CD1 PHE A 85 -8.386 -1.466 -9.796 1.00 0.00 C ATOM 1376 CD2 PHE A 85 -9.583 -2.671 -8.123 1.00 0.00 C ATOM 1377 CE1 PHE A 85 -8.120 -2.641 -10.463 1.00 0.00 C ATOM 1378 CE2 PHE A 85 -9.323 -3.852 -8.789 1.00 0.00 C ATOM 1379 CZ PHE A 85 -8.588 -3.837 -9.960 1.00 0.00 C ATOM 0 H PHE A 85 -9.580 1.286 -10.156 1.00 0.00 H new ATOM 0 HA PHE A 85 -11.488 0.115 -8.227 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -8.481 0.429 -7.920 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -9.569 -0.415 -6.836 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -8.018 -0.532 -10.194 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -10.153 -2.688 -7.206 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -7.546 -2.626 -11.378 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -9.694 -4.787 -8.396 1.00 0.00 H new ATOM 0 HZ PHE A 85 -8.381 -4.761 -10.480 1.00 0.00 H new ATOM 1389 N GLU A 86 -11.342 2.076 -6.649 1.00 0.00 N ATOM 1390 CA GLU A 86 -11.298 3.237 -5.776 1.00 0.00 C ATOM 1391 C GLU A 86 -10.366 2.949 -4.613 1.00 0.00 C ATOM 1392 O GLU A 86 -10.317 1.822 -4.111 1.00 0.00 O ATOM 1393 CB GLU A 86 -12.689 3.593 -5.249 1.00 0.00 C ATOM 1394 CG GLU A 86 -13.637 4.123 -6.311 1.00 0.00 C ATOM 1395 CD GLU A 86 -14.930 4.637 -5.713 1.00 0.00 C ATOM 1396 OE1 GLU A 86 -15.920 3.879 -5.680 1.00 0.00 O ATOM 1397 OE2 GLU A 86 -14.961 5.796 -5.260 1.00 0.00 O ATOM 0 H GLU A 86 -12.015 1.362 -6.369 1.00 0.00 H new ATOM 0 HA GLU A 86 -10.931 4.088 -6.350 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -13.131 2.707 -4.792 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -12.587 4.340 -4.462 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -13.149 4.926 -6.864 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -13.858 3.331 -7.027 1.00 0.00 H new ATOM 1404 N CYS A 87 -9.626 3.956 -4.193 1.00 0.00 N ATOM 1405 CA CYS A 87 -8.663 3.789 -3.121 1.00 0.00 C ATOM 1406 C CYS A 87 -9.364 3.639 -1.775 1.00 0.00 C ATOM 1407 O CYS A 87 -10.033 4.554 -1.299 1.00 0.00 O ATOM 1408 CB CYS A 87 -7.696 4.973 -3.094 1.00 0.00 C ATOM 1409 SG CYS A 87 -8.504 6.591 -3.085 1.00 0.00 S ATOM 0 H CYS A 87 -9.673 4.900 -4.578 1.00 0.00 H new ATOM 0 HA CYS A 87 -8.097 2.876 -3.307 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -7.063 4.891 -2.210 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -7.040 4.912 -3.962 1.00 0.00 H new ATOM 0 HG CYS A 87 -7.661 7.499 -3.478 1.00 0.00 H new ATOM 1415 N GLN A 88 -9.220 2.468 -1.178 1.00 0.00 N ATOM 1416 CA GLN A 88 -9.811 2.196 0.119 1.00 0.00 C ATOM 1417 C GLN A 88 -8.780 2.420 1.220 1.00 0.00 C ATOM 1418 O GLN A 88 -9.078 3.011 2.259 1.00 0.00 O ATOM 1419 CB GLN A 88 -10.342 0.763 0.152 1.00 0.00 C ATOM 1420 CG GLN A 88 -10.990 0.362 1.465 1.00 0.00 C ATOM 1421 CD GLN A 88 -11.549 -1.046 1.422 1.00 0.00 C ATOM 1422 OE1 GLN A 88 -12.521 -1.362 2.107 1.00 0.00 O ATOM 1423 NE2 GLN A 88 -10.947 -1.898 0.607 1.00 0.00 N ATOM 0 H GLN A 88 -8.696 1.688 -1.574 1.00 0.00 H new ATOM 0 HA GLN A 88 -10.644 2.878 0.289 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -11.070 0.640 -0.650 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -9.519 0.079 -0.056 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -10.256 0.435 2.267 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -11.791 1.062 1.701 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -10.144 -1.596 0.056 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -11.287 -2.857 0.530 1.00 0.00 H new ATOM 1432 N HIS A 89 -7.566 1.940 0.979 1.00 0.00 N ATOM 1433 CA HIS A 89 -6.462 2.137 1.906 1.00 0.00 C ATOM 1434 C HIS A 89 -5.143 2.182 1.142 1.00 0.00 C ATOM 1435 O HIS A 89 -4.590 1.147 0.779 1.00 0.00 O ATOM 1436 CB HIS A 89 -6.429 0.995 2.939 1.00 0.00 C ATOM 1437 CG HIS A 89 -5.361 1.110 3.998 1.00 0.00 C ATOM 1438 ND1 HIS A 89 -5.542 0.670 5.288 1.00 0.00 N ATOM 1439 CD2 HIS A 89 -4.085 1.571 3.944 1.00 0.00 C ATOM 1440 CE1 HIS A 89 -4.433 0.853 5.978 1.00 0.00 C ATOM 1441 NE2 HIS A 89 -3.529 1.399 5.186 1.00 0.00 N ATOM 0 H HIS A 89 -7.322 1.408 0.143 1.00 0.00 H new ATOM 0 HA HIS A 89 -6.604 3.083 2.428 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -7.400 0.945 3.431 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -6.291 0.053 2.409 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -3.596 1.996 3.080 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -4.289 0.599 7.018 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -2.577 1.651 5.453 1.00 0.00 H new ATOM 1450 N ILE A 90 -4.654 3.382 0.890 1.00 0.00 N ATOM 1451 CA ILE A 90 -3.308 3.551 0.377 1.00 0.00 C ATOM 1452 C ILE A 90 -2.411 3.990 1.520 1.00 0.00 C ATOM 1453 O ILE A 90 -2.601 5.068 2.084 1.00 0.00 O ATOM 1454 CB ILE A 90 -3.228 4.588 -0.763 1.00 0.00 C ATOM 1455 CG1 ILE A 90 -4.213 4.236 -1.882 1.00 0.00 C ATOM 1456 CG2 ILE A 90 -1.807 4.654 -1.312 1.00 0.00 C ATOM 1457 CD1 ILE A 90 -4.184 5.206 -3.045 1.00 0.00 C ATOM 0 H ILE A 90 -5.167 4.252 1.032 1.00 0.00 H new ATOM 0 HA ILE A 90 -2.986 2.596 -0.039 1.00 0.00 H new ATOM 0 HB ILE A 90 -3.498 5.565 -0.363 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -3.989 3.235 -2.250 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -5.222 4.206 -1.470 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -1.761 5.389 -2.116 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -1.122 4.945 -0.515 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -1.520 3.676 -1.698 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -4.907 4.893 -3.798 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -4.438 6.205 -2.692 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -3.186 5.219 -3.483 1.00 0.00 H new ATOM 1469 N ASP A 91 -1.459 3.143 1.883 1.00 0.00 N ATOM 1470 CA ASP A 91 -0.587 3.425 3.014 1.00 0.00 C ATOM 1471 C ASP A 91 0.258 4.660 2.754 1.00 0.00 C ATOM 1472 O ASP A 91 0.670 4.915 1.619 1.00 0.00 O ATOM 1473 CB ASP A 91 0.309 2.226 3.335 1.00 0.00 C ATOM 1474 CG ASP A 91 -0.450 1.116 4.035 1.00 0.00 C ATOM 1475 OD1 ASP A 91 -0.674 0.057 3.415 1.00 0.00 O ATOM 1476 OD2 ASP A 91 -0.850 1.315 5.207 1.00 0.00 O ATOM 0 H ASP A 91 -1.271 2.258 1.413 1.00 0.00 H new ATOM 0 HA ASP A 91 -1.222 3.617 3.879 1.00 0.00 H new ATOM 0 HB2 ASP A 91 0.743 1.841 2.412 1.00 0.00 H new ATOM 0 HB3 ASP A 91 1.137 2.551 3.965 1.00 0.00 H new ATOM 1481 N LEU A 92 0.511 5.417 3.816 1.00 0.00 N ATOM 1482 CA LEU A 92 1.253 6.671 3.722 1.00 0.00 C ATOM 1483 C LEU A 92 2.610 6.448 3.071 1.00 0.00 C ATOM 1484 O LEU A 92 3.077 7.271 2.286 1.00 0.00 O ATOM 1485 CB LEU A 92 1.428 7.290 5.114 1.00 0.00 C ATOM 1486 CG LEU A 92 0.126 7.651 5.833 1.00 0.00 C ATOM 1487 CD1 LEU A 92 0.414 8.144 7.243 1.00 0.00 C ATOM 1488 CD2 LEU A 92 -0.638 8.707 5.047 1.00 0.00 C ATOM 0 H LEU A 92 0.210 5.181 4.762 1.00 0.00 H new ATOM 0 HA LEU A 92 0.683 7.360 3.099 1.00 0.00 H new ATOM 0 HB2 LEU A 92 1.987 6.592 5.737 1.00 0.00 H new ATOM 0 HB3 LEU A 92 2.035 8.191 5.020 1.00 0.00 H new ATOM 0 HG LEU A 92 -0.491 6.755 5.901 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -0.523 8.396 7.739 1.00 0.00 H new ATOM 0 HD12 LEU A 92 0.923 7.361 7.805 1.00 0.00 H new ATOM 0 HD13 LEU A 92 1.049 9.029 7.197 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -1.562 8.953 5.571 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -0.025 9.603 4.951 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -0.875 8.322 4.055 1.00 0.00 H new ATOM 1500 N ASP A 93 3.226 5.315 3.392 1.00 0.00 N ATOM 1501 CA ASP A 93 4.484 4.917 2.773 1.00 0.00 C ATOM 1502 C ASP A 93 4.342 4.861 1.255 1.00 0.00 C ATOM 1503 O ASP A 93 5.115 5.481 0.524 1.00 0.00 O ATOM 1504 CB ASP A 93 4.924 3.552 3.303 1.00 0.00 C ATOM 1505 CG ASP A 93 6.003 2.914 2.449 1.00 0.00 C ATOM 1506 OD1 ASP A 93 7.187 3.285 2.596 1.00 0.00 O ATOM 1507 OD2 ASP A 93 5.669 2.038 1.628 1.00 0.00 O ATOM 0 H ASP A 93 2.871 4.653 4.082 1.00 0.00 H new ATOM 0 HA ASP A 93 5.240 5.660 3.026 1.00 0.00 H new ATOM 0 HB2 ASP A 93 5.292 3.664 4.323 1.00 0.00 H new ATOM 0 HB3 ASP A 93 4.061 2.888 3.347 1.00 0.00 H new ATOM 1512 N SER A 94 3.334 4.136 0.792 1.00 0.00 N ATOM 1513 CA SER A 94 3.099 3.976 -0.631 1.00 0.00 C ATOM 1514 C SER A 94 2.758 5.316 -1.286 1.00 0.00 C ATOM 1515 O SER A 94 3.140 5.565 -2.430 1.00 0.00 O ATOM 1516 CB SER A 94 1.988 2.954 -0.859 1.00 0.00 C ATOM 1517 OG SER A 94 2.355 1.687 -0.328 1.00 0.00 O ATOM 0 H SER A 94 2.664 3.648 1.387 1.00 0.00 H new ATOM 0 HA SER A 94 4.013 3.609 -1.098 1.00 0.00 H new ATOM 0 HB2 SER A 94 1.067 3.299 -0.388 1.00 0.00 H new ATOM 0 HB3 SER A 94 1.785 2.862 -1.926 1.00 0.00 H new ATOM 0 HG SER A 94 1.631 1.347 0.238 1.00 0.00 H new ATOM 1523 N ILE A 95 2.060 6.183 -0.550 1.00 0.00 N ATOM 1524 CA ILE A 95 1.767 7.528 -1.037 1.00 0.00 C ATOM 1525 C ILE A 95 3.063 8.304 -1.237 1.00 0.00 C ATOM 1526 O ILE A 95 3.247 8.966 -2.254 1.00 0.00 O ATOM 1527 CB ILE A 95 0.855 8.320 -0.074 1.00 0.00 C ATOM 1528 CG1 ILE A 95 -0.472 7.586 0.133 1.00 0.00 C ATOM 1529 CG2 ILE A 95 0.608 9.725 -0.617 1.00 0.00 C ATOM 1530 CD1 ILE A 95 -1.392 8.255 1.134 1.00 0.00 C ATOM 0 H ILE A 95 1.690 5.978 0.378 1.00 0.00 H new ATOM 0 HA ILE A 95 1.239 7.412 -1.983 1.00 0.00 H new ATOM 0 HB ILE A 95 1.356 8.402 0.890 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -0.987 7.509 -0.825 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -0.266 6.569 0.467 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -0.036 10.273 0.071 1.00 0.00 H new ATOM 0 HG22 ILE A 95 1.559 10.248 -0.718 1.00 0.00 H new ATOM 0 HG23 ILE A 95 0.125 9.659 -1.592 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -2.311 7.677 1.226 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -0.897 8.308 2.104 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -1.630 9.262 0.793 1.00 0.00 H new ATOM 1542 N SER A 96 3.964 8.202 -0.269 1.00 0.00 N ATOM 1543 CA SER A 96 5.243 8.888 -0.339 1.00 0.00 C ATOM 1544 C SER A 96 6.067 8.394 -1.529 1.00 0.00 C ATOM 1545 O SER A 96 6.743 9.184 -2.197 1.00 0.00 O ATOM 1546 CB SER A 96 6.010 8.695 0.968 1.00 0.00 C ATOM 1547 OG SER A 96 5.269 9.209 2.060 1.00 0.00 O ATOM 0 H SER A 96 3.830 7.648 0.577 1.00 0.00 H new ATOM 0 HA SER A 96 5.057 9.952 -0.484 1.00 0.00 H new ATOM 0 HB2 SER A 96 6.212 7.635 1.125 1.00 0.00 H new ATOM 0 HB3 SER A 96 6.975 9.198 0.907 1.00 0.00 H new ATOM 0 HG SER A 96 4.495 8.632 2.231 1.00 0.00 H new ATOM 1553 N HIS A 97 6.000 7.093 -1.803 1.00 0.00 N ATOM 1554 CA HIS A 97 6.701 6.525 -2.951 1.00 0.00 C ATOM 1555 C HIS A 97 6.076 7.020 -4.250 1.00 0.00 C ATOM 1556 O HIS A 97 6.783 7.413 -5.173 1.00 0.00 O ATOM 1557 CB HIS A 97 6.682 4.991 -2.929 1.00 0.00 C ATOM 1558 CG HIS A 97 7.486 4.374 -1.824 1.00 0.00 C ATOM 1559 ND1 HIS A 97 8.859 4.457 -1.747 1.00 0.00 N ATOM 1560 CD2 HIS A 97 7.097 3.656 -0.749 1.00 0.00 C ATOM 1561 CE1 HIS A 97 9.276 3.817 -0.669 1.00 0.00 C ATOM 1562 NE2 HIS A 97 8.223 3.322 -0.044 1.00 0.00 N ATOM 0 H HIS A 97 5.472 6.417 -1.251 1.00 0.00 H new ATOM 0 HA HIS A 97 7.739 6.854 -2.892 1.00 0.00 H new ATOM 0 HB2 HIS A 97 5.649 4.654 -2.841 1.00 0.00 H new ATOM 0 HB3 HIS A 97 7.057 4.622 -3.884 1.00 0.00 H new ATOM 0 HD2 HIS A 97 6.082 3.393 -0.491 1.00 0.00 H new ATOM 0 HE1 HIS A 97 10.304 3.716 -0.353 1.00 0.00 H new ATOM 0 HE2 HIS A 97 8.245 2.781 0.820 1.00 0.00 H new ATOM 1571 N LEU A 98 4.747 7.011 -4.304 1.00 0.00 N ATOM 1572 CA LEU A 98 4.015 7.447 -5.491 1.00 0.00 C ATOM 1573 C LEU A 98 4.311 8.920 -5.784 1.00 0.00 C ATOM 1574 O LEU A 98 4.594 9.292 -6.923 1.00 0.00 O ATOM 1575 CB LEU A 98 2.507 7.210 -5.279 1.00 0.00 C ATOM 1576 CG LEU A 98 1.602 7.319 -6.520 1.00 0.00 C ATOM 1577 CD1 LEU A 98 1.310 8.770 -6.870 1.00 0.00 C ATOM 1578 CD2 LEU A 98 2.230 6.602 -7.708 1.00 0.00 C ATOM 0 H LEU A 98 4.151 6.705 -3.535 1.00 0.00 H new ATOM 0 HA LEU A 98 4.339 6.866 -6.355 1.00 0.00 H new ATOM 0 HB2 LEU A 98 2.377 6.216 -4.851 1.00 0.00 H new ATOM 0 HB3 LEU A 98 2.152 7.925 -4.537 1.00 0.00 H new ATOM 0 HG LEU A 98 0.655 6.836 -6.281 1.00 0.00 H new ATOM 0 HD11 LEU A 98 0.669 8.810 -7.751 1.00 0.00 H new ATOM 0 HD12 LEU A 98 0.806 9.252 -6.032 1.00 0.00 H new ATOM 0 HD13 LEU A 98 2.245 9.289 -7.078 1.00 0.00 H new ATOM 0 HD21 LEU A 98 1.575 6.691 -8.575 1.00 0.00 H new ATOM 0 HD22 LEU A 98 3.196 7.053 -7.936 1.00 0.00 H new ATOM 0 HD23 LEU A 98 2.369 5.549 -7.465 1.00 0.00 H new ATOM 1590 N ARG A 99 4.260 9.738 -4.737 1.00 0.00 N ATOM 1591 CA ARG A 99 4.553 11.163 -4.837 1.00 0.00 C ATOM 1592 C ARG A 99 5.912 11.394 -5.492 1.00 0.00 C ATOM 1593 O ARG A 99 6.039 12.186 -6.427 1.00 0.00 O ATOM 1594 CB ARG A 99 4.527 11.796 -3.438 1.00 0.00 C ATOM 1595 CG ARG A 99 4.941 13.257 -3.420 1.00 0.00 C ATOM 1596 CD ARG A 99 3.925 14.128 -4.134 1.00 0.00 C ATOM 1597 NE ARG A 99 4.560 15.256 -4.813 1.00 0.00 N ATOM 1598 CZ ARG A 99 3.915 16.118 -5.597 1.00 0.00 C ATOM 1599 NH1 ARG A 99 2.592 16.084 -5.692 1.00 0.00 N ATOM 1600 NH2 ARG A 99 4.591 17.044 -6.262 1.00 0.00 N ATOM 0 H ARG A 99 4.014 9.431 -3.796 1.00 0.00 H new ATOM 0 HA ARG A 99 3.791 11.631 -5.460 1.00 0.00 H new ATOM 0 HB2 ARG A 99 3.521 11.708 -3.028 1.00 0.00 H new ATOM 0 HB3 ARG A 99 5.189 11.232 -2.782 1.00 0.00 H new ATOM 0 HG2 ARG A 99 5.050 13.593 -2.389 1.00 0.00 H new ATOM 0 HG3 ARG A 99 5.915 13.367 -3.896 1.00 0.00 H new ATOM 0 HD2 ARG A 99 3.378 13.527 -4.861 1.00 0.00 H new ATOM 0 HD3 ARG A 99 3.196 14.500 -3.415 1.00 0.00 H new ATOM 0 HE ARG A 99 5.562 15.392 -4.678 1.00 0.00 H new ATOM 0 HH11 ARG A 99 2.060 15.394 -5.162 1.00 0.00 H new ATOM 0 HH12 ARG A 99 2.107 16.748 -6.295 1.00 0.00 H new ATOM 0 HH21 ARG A 99 5.606 17.097 -6.173 1.00 0.00 H new ATOM 0 HH22 ARG A 99 4.096 17.704 -6.862 1.00 0.00 H new ATOM 1614 N ARG A 100 6.918 10.684 -5.002 1.00 0.00 N ATOM 1615 CA ARG A 100 8.272 10.823 -5.516 1.00 0.00 C ATOM 1616 C ARG A 100 8.368 10.277 -6.936 1.00 0.00 C ATOM 1617 O ARG A 100 8.964 10.904 -7.804 1.00 0.00 O ATOM 1618 CB ARG A 100 9.262 10.107 -4.591 1.00 0.00 C ATOM 1619 CG ARG A 100 10.714 10.151 -5.057 1.00 0.00 C ATOM 1620 CD ARG A 100 11.186 11.571 -5.361 1.00 0.00 C ATOM 1621 NE ARG A 100 10.830 12.526 -4.307 1.00 0.00 N ATOM 1622 CZ ARG A 100 11.557 12.758 -3.216 1.00 0.00 C ATOM 1623 NH1 ARG A 100 12.653 12.049 -2.970 1.00 0.00 N ATOM 1624 NH2 ARG A 100 11.175 13.705 -2.366 1.00 0.00 N ATOM 0 H ARG A 100 6.821 10.005 -4.247 1.00 0.00 H new ATOM 0 HA ARG A 100 8.527 11.882 -5.545 1.00 0.00 H new ATOM 0 HB2 ARG A 100 9.199 10.553 -3.599 1.00 0.00 H new ATOM 0 HB3 ARG A 100 8.958 9.065 -4.492 1.00 0.00 H new ATOM 0 HG2 ARG A 100 11.353 9.716 -4.288 1.00 0.00 H new ATOM 0 HG3 ARG A 100 10.825 9.535 -5.950 1.00 0.00 H new ATOM 0 HD2 ARG A 100 12.268 11.569 -5.493 1.00 0.00 H new ATOM 0 HD3 ARG A 100 10.751 11.899 -6.305 1.00 0.00 H new ATOM 0 HE ARG A 100 9.962 13.051 -4.418 1.00 0.00 H new ATOM 0 HH11 ARG A 100 12.945 11.319 -3.620 1.00 0.00 H new ATOM 0 HH12 ARG A 100 13.203 12.235 -2.131 1.00 0.00 H new ATOM 0 HH21 ARG A 100 10.331 14.247 -2.552 1.00 0.00 H new ATOM 0 HH22 ARG A 100 11.726 13.890 -1.527 1.00 0.00 H new ATOM 1638 N LEU A 101 7.758 9.123 -7.162 1.00 0.00 N ATOM 1639 CA LEU A 101 7.803 8.449 -8.453 1.00 0.00 C ATOM 1640 C LEU A 101 7.268 9.339 -9.576 1.00 0.00 C ATOM 1641 O LEU A 101 7.935 9.531 -10.596 1.00 0.00 O ATOM 1642 CB LEU A 101 6.996 7.151 -8.386 1.00 0.00 C ATOM 1643 CG LEU A 101 7.068 6.270 -9.630 1.00 0.00 C ATOM 1644 CD1 LEU A 101 8.491 5.790 -9.866 1.00 0.00 C ATOM 1645 CD2 LEU A 101 6.124 5.090 -9.488 1.00 0.00 C ATOM 0 H LEU A 101 7.217 8.626 -6.455 1.00 0.00 H new ATOM 0 HA LEU A 101 8.846 8.224 -8.678 1.00 0.00 H new ATOM 0 HB2 LEU A 101 7.343 6.571 -7.531 1.00 0.00 H new ATOM 0 HB3 LEU A 101 5.952 7.402 -8.199 1.00 0.00 H new ATOM 0 HG LEU A 101 6.762 6.861 -10.493 1.00 0.00 H new ATOM 0 HD11 LEU A 101 8.521 5.164 -10.757 1.00 0.00 H new ATOM 0 HD12 LEU A 101 9.147 6.650 -10.005 1.00 0.00 H new ATOM 0 HD13 LEU A 101 8.828 5.212 -9.005 1.00 0.00 H new ATOM 0 HD21 LEU A 101 6.183 4.468 -10.381 1.00 0.00 H new ATOM 0 HD22 LEU A 101 6.407 4.501 -8.616 1.00 0.00 H new ATOM 0 HD23 LEU A 101 5.104 5.453 -9.365 1.00 0.00 H new ATOM 1657 N VAL A 102 6.068 9.880 -9.385 1.00 0.00 N ATOM 1658 CA VAL A 102 5.440 10.731 -10.393 1.00 0.00 C ATOM 1659 C VAL A 102 6.282 11.977 -10.655 1.00 0.00 C ATOM 1660 O VAL A 102 6.639 12.272 -11.794 1.00 0.00 O ATOM 1661 CB VAL A 102 4.015 11.160 -9.971 1.00 0.00 C ATOM 1662 CG1 VAL A 102 3.406 12.106 -10.989 1.00 0.00 C ATOM 1663 CG2 VAL A 102 3.116 9.952 -9.790 1.00 0.00 C ATOM 0 H VAL A 102 5.510 9.745 -8.542 1.00 0.00 H new ATOM 0 HA VAL A 102 5.370 10.141 -11.307 1.00 0.00 H new ATOM 0 HB VAL A 102 4.099 11.681 -9.017 1.00 0.00 H new ATOM 0 HG11 VAL A 102 2.404 12.391 -10.667 1.00 0.00 H new ATOM 0 HG12 VAL A 102 4.027 12.997 -11.075 1.00 0.00 H new ATOM 0 HG13 VAL A 102 3.348 11.610 -11.958 1.00 0.00 H new ATOM 0 HG21 VAL A 102 2.120 10.281 -9.493 1.00 0.00 H new ATOM 0 HG22 VAL A 102 3.052 9.402 -10.729 1.00 0.00 H new ATOM 0 HG23 VAL A 102 3.529 9.304 -9.017 1.00 0.00 H new ATOM 1673 N GLU A 103 6.615 12.679 -9.584 1.00 0.00 N ATOM 1674 CA GLU A 103 7.372 13.923 -9.669 1.00 0.00 C ATOM 1675 C GLU A 103 8.738 13.694 -10.327 1.00 0.00 C ATOM 1676 O GLU A 103 9.226 14.531 -11.093 1.00 0.00 O ATOM 1677 CB GLU A 103 7.547 14.487 -8.260 1.00 0.00 C ATOM 1678 CG GLU A 103 8.124 15.889 -8.204 1.00 0.00 C ATOM 1679 CD GLU A 103 8.279 16.375 -6.779 1.00 0.00 C ATOM 1680 OE1 GLU A 103 9.356 16.153 -6.186 1.00 0.00 O ATOM 1681 OE2 GLU A 103 7.318 16.960 -6.235 1.00 0.00 O ATOM 0 H GLU A 103 6.370 12.406 -8.632 1.00 0.00 H new ATOM 0 HA GLU A 103 6.826 14.634 -10.289 1.00 0.00 H new ATOM 0 HB2 GLU A 103 6.578 14.488 -7.761 1.00 0.00 H new ATOM 0 HB3 GLU A 103 8.196 13.819 -7.694 1.00 0.00 H new ATOM 0 HG2 GLU A 103 9.094 15.903 -8.701 1.00 0.00 H new ATOM 0 HG3 GLU A 103 7.475 16.572 -8.753 1.00 0.00 H new ATOM 1688 N LEU A 104 9.335 12.548 -10.031 1.00 0.00 N ATOM 1689 CA LEU A 104 10.653 12.191 -10.546 1.00 0.00 C ATOM 1690 C LEU A 104 10.606 11.931 -12.049 1.00 0.00 C ATOM 1691 O LEU A 104 11.567 12.210 -12.766 1.00 0.00 O ATOM 1692 CB LEU A 104 11.162 10.946 -9.819 1.00 0.00 C ATOM 1693 CG LEU A 104 12.585 10.508 -10.159 1.00 0.00 C ATOM 1694 CD1 LEU A 104 13.592 11.557 -9.715 1.00 0.00 C ATOM 1695 CD2 LEU A 104 12.882 9.166 -9.510 1.00 0.00 C ATOM 0 H LEU A 104 8.921 11.838 -9.427 1.00 0.00 H new ATOM 0 HA LEU A 104 11.331 13.026 -10.369 1.00 0.00 H new ATOM 0 HB2 LEU A 104 11.105 11.128 -8.746 1.00 0.00 H new ATOM 0 HB3 LEU A 104 10.486 10.119 -10.039 1.00 0.00 H new ATOM 0 HG LEU A 104 12.670 10.400 -11.240 1.00 0.00 H new ATOM 0 HD11 LEU A 104 14.599 11.224 -9.967 1.00 0.00 H new ATOM 0 HD12 LEU A 104 13.384 12.499 -10.222 1.00 0.00 H new ATOM 0 HD13 LEU A 104 13.516 11.701 -8.637 1.00 0.00 H new ATOM 0 HD21 LEU A 104 13.899 8.860 -9.757 1.00 0.00 H new ATOM 0 HD22 LEU A 104 12.782 9.255 -8.428 1.00 0.00 H new ATOM 0 HD23 LEU A 104 12.178 8.420 -9.879 1.00 0.00 H new ATOM 1707 N ASN A 105 9.481 11.405 -12.520 1.00 0.00 N ATOM 1708 CA ASN A 105 9.327 11.071 -13.933 1.00 0.00 C ATOM 1709 C ASN A 105 8.621 12.187 -14.692 1.00 0.00 C ATOM 1710 O ASN A 105 8.221 11.999 -15.839 1.00 0.00 O ATOM 1711 CB ASN A 105 8.556 9.756 -14.104 1.00 0.00 C ATOM 1712 CG ASN A 105 9.392 8.532 -13.770 1.00 0.00 C ATOM 1713 OD1 ASN A 105 10.081 7.981 -14.630 1.00 0.00 O ATOM 1714 ND2 ASN A 105 9.336 8.091 -12.522 1.00 0.00 N ATOM 0 H ASN A 105 8.663 11.201 -11.946 1.00 0.00 H new ATOM 0 HA ASN A 105 10.327 10.950 -14.349 1.00 0.00 H new ATOM 0 HB2 ASN A 105 7.674 9.772 -13.464 1.00 0.00 H new ATOM 0 HB3 ASN A 105 8.203 9.679 -15.132 1.00 0.00 H new ATOM 0 HD21 ASN A 105 9.875 7.270 -12.247 1.00 0.00 H new ATOM 0 HD22 ASN A 105 8.754 8.573 -11.836 1.00 0.00 H new ATOM 1721 N LEU A 106 8.460 13.341 -14.040 1.00 0.00 N ATOM 1722 CA LEU A 106 7.867 14.523 -14.675 1.00 0.00 C ATOM 1723 C LEU A 106 6.389 14.287 -14.965 1.00 0.00 C ATOM 1724 O LEU A 106 5.811 14.875 -15.881 1.00 0.00 O ATOM 1725 CB LEU A 106 8.626 14.884 -15.964 1.00 0.00 C ATOM 1726 CG LEU A 106 8.303 16.255 -16.563 1.00 0.00 C ATOM 1727 CD1 LEU A 106 8.698 17.367 -15.602 1.00 0.00 C ATOM 1728 CD2 LEU A 106 9.005 16.431 -17.901 1.00 0.00 C ATOM 0 H LEU A 106 8.733 13.483 -13.068 1.00 0.00 H new ATOM 0 HA LEU A 106 7.950 15.364 -13.986 1.00 0.00 H new ATOM 0 HB2 LEU A 106 9.696 14.841 -15.758 1.00 0.00 H new ATOM 0 HB3 LEU A 106 8.415 14.122 -16.714 1.00 0.00 H new ATOM 0 HG LEU A 106 7.227 16.312 -16.728 1.00 0.00 H new ATOM 0 HD11 LEU A 106 8.460 18.333 -16.046 1.00 0.00 H new ATOM 0 HD12 LEU A 106 8.149 17.252 -14.667 1.00 0.00 H new ATOM 0 HD13 LEU A 106 9.768 17.313 -15.403 1.00 0.00 H new ATOM 0 HD21 LEU A 106 8.764 17.411 -18.312 1.00 0.00 H new ATOM 0 HD22 LEU A 106 10.083 16.352 -17.760 1.00 0.00 H new ATOM 0 HD23 LEU A 106 8.672 15.656 -18.591 1.00 0.00 H new ATOM 1740 N GLY A 107 5.782 13.436 -14.155 1.00 0.00 N ATOM 1741 CA GLY A 107 4.374 13.175 -14.281 1.00 0.00 C ATOM 1742 C GLY A 107 3.549 14.375 -13.882 1.00 0.00 C ATOM 1743 O GLY A 107 3.461 14.710 -12.699 1.00 0.00 O ATOM 0 H GLY A 107 6.248 12.920 -13.408 1.00 0.00 H new ATOM 0 HA2 GLY A 107 4.145 12.901 -15.311 1.00 0.00 H new ATOM 0 HA3 GLY A 107 4.104 12.323 -13.657 1.00 0.00 H new ATOM 1747 N ASP A 108 3.015 15.056 -14.886 1.00 0.00 N ATOM 1748 CA ASP A 108 2.065 16.151 -14.681 1.00 0.00 C ATOM 1749 C ASP A 108 1.047 15.789 -13.598 1.00 0.00 C ATOM 1750 O ASP A 108 0.295 14.821 -13.730 1.00 0.00 O ATOM 1751 CB ASP A 108 1.348 16.475 -15.994 1.00 0.00 C ATOM 1752 CG ASP A 108 0.356 17.609 -15.852 1.00 0.00 C ATOM 1753 OD1 ASP A 108 -0.859 17.340 -15.801 1.00 0.00 O ATOM 1754 OD2 ASP A 108 0.787 18.783 -15.796 1.00 0.00 O ATOM 0 H ASP A 108 3.225 14.869 -15.866 1.00 0.00 H new ATOM 0 HA ASP A 108 2.617 17.031 -14.351 1.00 0.00 H new ATOM 0 HB2 ASP A 108 2.087 16.736 -16.752 1.00 0.00 H new ATOM 0 HB3 ASP A 108 0.828 15.585 -16.349 1.00 0.00 H new ATOM 1759 N GLU A 109 1.030 16.583 -12.533 1.00 0.00 N ATOM 1760 CA GLU A 109 0.275 16.258 -11.322 1.00 0.00 C ATOM 1761 C GLU A 109 -1.234 16.243 -11.562 1.00 0.00 C ATOM 1762 O GLU A 109 -1.977 15.596 -10.822 1.00 0.00 O ATOM 1763 CB GLU A 109 0.610 17.260 -10.216 1.00 0.00 C ATOM 1764 CG GLU A 109 2.079 17.282 -9.832 1.00 0.00 C ATOM 1765 CD GLU A 109 2.383 18.329 -8.783 1.00 0.00 C ATOM 1766 OE1 GLU A 109 2.693 19.477 -9.157 1.00 0.00 O ATOM 1767 OE2 GLU A 109 2.303 18.014 -7.578 1.00 0.00 O ATOM 0 H GLU A 109 1.536 17.467 -12.482 1.00 0.00 H new ATOM 0 HA GLU A 109 0.568 15.253 -11.019 1.00 0.00 H new ATOM 0 HB2 GLU A 109 0.314 18.258 -10.541 1.00 0.00 H new ATOM 0 HB3 GLU A 109 0.017 17.023 -9.333 1.00 0.00 H new ATOM 0 HG2 GLU A 109 2.369 16.300 -9.457 1.00 0.00 H new ATOM 0 HG3 GLU A 109 2.681 17.475 -10.720 1.00 0.00 H new ATOM 1774 N GLU A 110 -1.685 16.930 -12.604 1.00 0.00 N ATOM 1775 CA GLU A 110 -3.111 17.012 -12.900 1.00 0.00 C ATOM 1776 C GLU A 110 -3.659 15.641 -13.276 1.00 0.00 C ATOM 1777 O GLU A 110 -4.858 15.383 -13.149 1.00 0.00 O ATOM 1778 CB GLU A 110 -3.377 18.017 -14.019 1.00 0.00 C ATOM 1779 CG GLU A 110 -2.897 19.421 -13.692 1.00 0.00 C ATOM 1780 CD GLU A 110 -3.224 20.424 -14.778 1.00 0.00 C ATOM 1781 OE1 GLU A 110 -3.149 21.638 -14.507 1.00 0.00 O ATOM 1782 OE2 GLU A 110 -3.552 20.003 -15.909 1.00 0.00 O ATOM 0 H GLU A 110 -1.087 17.437 -13.257 1.00 0.00 H new ATOM 0 HA GLU A 110 -3.624 17.357 -12.002 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -2.885 17.675 -14.930 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -4.447 18.045 -14.226 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -3.351 19.746 -12.756 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -1.819 19.403 -13.534 1.00 0.00 H new ATOM 1789 N LEU A 111 -2.771 14.755 -13.715 1.00 0.00 N ATOM 1790 CA LEU A 111 -3.149 13.381 -14.010 1.00 0.00 C ATOM 1791 C LEU A 111 -3.628 12.685 -12.739 1.00 0.00 C ATOM 1792 O LEU A 111 -4.545 11.863 -12.772 1.00 0.00 O ATOM 1793 CB LEU A 111 -1.970 12.616 -14.620 1.00 0.00 C ATOM 1794 CG LEU A 111 -1.460 13.160 -15.958 1.00 0.00 C ATOM 1795 CD1 LEU A 111 -0.253 12.365 -16.432 1.00 0.00 C ATOM 1796 CD2 LEU A 111 -2.566 13.126 -17.005 1.00 0.00 C ATOM 0 H LEU A 111 -1.786 14.965 -13.874 1.00 0.00 H new ATOM 0 HA LEU A 111 -3.963 13.394 -14.735 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -1.146 12.622 -13.906 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -2.265 11.576 -14.758 1.00 0.00 H new ATOM 0 HG LEU A 111 -1.154 14.196 -15.814 1.00 0.00 H new ATOM 0 HD11 LEU A 111 0.096 12.766 -17.384 1.00 0.00 H new ATOM 0 HD12 LEU A 111 0.545 12.439 -15.693 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -0.533 11.319 -16.559 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -2.186 13.516 -17.949 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -2.902 12.099 -17.146 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -3.403 13.739 -16.670 1.00 0.00 H new ATOM 1808 N LEU A 112 -3.028 13.052 -11.616 1.00 0.00 N ATOM 1809 CA LEU A 112 -3.386 12.476 -10.328 1.00 0.00 C ATOM 1810 C LEU A 112 -4.652 13.126 -9.779 1.00 0.00 C ATOM 1811 O LEU A 112 -5.380 12.519 -8.994 1.00 0.00 O ATOM 1812 CB LEU A 112 -2.242 12.661 -9.324 1.00 0.00 C ATOM 1813 CG LEU A 112 -0.913 12.005 -9.704 1.00 0.00 C ATOM 1814 CD1 LEU A 112 0.178 12.406 -8.721 1.00 0.00 C ATOM 1815 CD2 LEU A 112 -1.055 10.491 -9.746 1.00 0.00 C ATOM 0 H LEU A 112 -2.286 13.751 -11.571 1.00 0.00 H new ATOM 0 HA LEU A 112 -3.569 11.412 -10.475 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -2.073 13.729 -9.187 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -2.561 12.262 -8.361 1.00 0.00 H new ATOM 0 HG LEU A 112 -0.632 12.353 -10.698 1.00 0.00 H new ATOM 0 HD11 LEU A 112 1.117 11.931 -9.006 1.00 0.00 H new ATOM 0 HD12 LEU A 112 0.301 13.489 -8.735 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -0.101 12.086 -7.717 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -0.099 10.043 -10.018 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -1.360 10.127 -8.765 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -1.808 10.217 -10.485 1.00 0.00 H new ATOM 1827 N GLU A 113 -4.929 14.345 -10.232 1.00 0.00 N ATOM 1828 CA GLU A 113 -5.991 15.161 -9.652 1.00 0.00 C ATOM 1829 C GLU A 113 -7.286 15.063 -10.453 1.00 0.00 C ATOM 1830 O GLU A 113 -8.212 15.846 -10.242 1.00 0.00 O ATOM 1831 CB GLU A 113 -5.550 16.624 -9.563 1.00 0.00 C ATOM 1832 CG GLU A 113 -4.347 16.845 -8.662 1.00 0.00 C ATOM 1833 CD GLU A 113 -3.995 18.309 -8.515 1.00 0.00 C ATOM 1834 OE1 GLU A 113 -3.130 18.798 -9.273 1.00 0.00 O ATOM 1835 OE2 GLU A 113 -4.580 18.980 -7.636 1.00 0.00 O ATOM 0 H GLU A 113 -4.431 14.791 -11.002 1.00 0.00 H new ATOM 0 HA GLU A 113 -6.185 14.776 -8.651 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -5.314 16.985 -10.564 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -6.383 17.224 -9.196 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -4.552 16.423 -7.678 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -3.490 16.307 -9.067 1.00 0.00 H new ATOM 1842 N ARG A 114 -7.352 14.103 -11.369 1.00 0.00 N ATOM 1843 CA ARG A 114 -8.572 13.863 -12.126 1.00 0.00 C ATOM 1844 C ARG A 114 -9.530 13.008 -11.301 1.00 0.00 C ATOM 1845 O ARG A 114 -9.309 12.790 -10.112 1.00 0.00 O ATOM 1846 CB ARG A 114 -8.249 13.152 -13.446 1.00 0.00 C ATOM 1847 CG ARG A 114 -7.460 13.992 -14.439 1.00 0.00 C ATOM 1848 CD ARG A 114 -6.931 13.138 -15.584 1.00 0.00 C ATOM 1849 NE ARG A 114 -5.964 12.149 -15.110 1.00 0.00 N ATOM 1850 CZ ARG A 114 -5.584 11.062 -15.784 1.00 0.00 C ATOM 1851 NH1 ARG A 114 -6.108 10.780 -16.972 1.00 0.00 N ATOM 1852 NH2 ARG A 114 -4.688 10.246 -15.250 1.00 0.00 N ATOM 0 H ARG A 114 -6.578 13.482 -11.604 1.00 0.00 H new ATOM 0 HA ARG A 114 -9.042 14.821 -12.349 1.00 0.00 H new ATOM 0 HB2 ARG A 114 -7.684 12.246 -13.227 1.00 0.00 H new ATOM 0 HB3 ARG A 114 -9.183 12.841 -13.914 1.00 0.00 H new ATOM 0 HG2 ARG A 114 -8.096 14.784 -14.836 1.00 0.00 H new ATOM 0 HG3 ARG A 114 -6.628 14.477 -13.929 1.00 0.00 H new ATOM 0 HD2 ARG A 114 -7.761 12.631 -16.075 1.00 0.00 H new ATOM 0 HD3 ARG A 114 -6.462 13.778 -16.331 1.00 0.00 H new ATOM 0 HE ARG A 114 -5.547 12.302 -14.192 1.00 0.00 H new ATOM 0 HH11 ARG A 114 -6.810 11.398 -17.380 1.00 0.00 H new ATOM 0 HH12 ARG A 114 -5.808 9.946 -17.476 1.00 0.00 H new ATOM 0 HH21 ARG A 114 -4.295 10.451 -14.331 1.00 0.00 H new ATOM 0 HH22 ARG A 114 -4.391 9.412 -15.757 1.00 0.00 H new ATOM 1866 N GLU A 115 -10.582 12.525 -11.932 1.00 0.00 N ATOM 1867 CA GLU A 115 -11.495 11.583 -11.304 1.00 0.00 C ATOM 1868 C GLU A 115 -11.326 10.239 -12.009 1.00 0.00 C ATOM 1869 O GLU A 115 -10.852 10.211 -13.137 1.00 0.00 O ATOM 1870 CB GLU A 115 -12.940 12.094 -11.435 1.00 0.00 C ATOM 1871 CG GLU A 115 -13.856 11.719 -10.275 1.00 0.00 C ATOM 1872 CD GLU A 115 -13.999 10.226 -10.091 1.00 0.00 C ATOM 1873 OE1 GLU A 115 -13.267 9.658 -9.255 1.00 0.00 O ATOM 1874 OE2 GLU A 115 -14.811 9.605 -10.807 1.00 0.00 O ATOM 0 H GLU A 115 -10.830 12.771 -12.890 1.00 0.00 H new ATOM 0 HA GLU A 115 -11.277 11.475 -10.242 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -12.920 13.180 -11.528 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -13.367 11.703 -12.358 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -13.466 12.157 -9.356 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -14.841 12.154 -10.442 1.00 0.00 H new ATOM 1881 N LEU A 116 -11.673 9.135 -11.354 1.00 0.00 N ATOM 1882 CA LEU A 116 -11.612 7.815 -11.990 1.00 0.00 C ATOM 1883 C LEU A 116 -12.389 7.810 -13.313 1.00 0.00 C ATOM 1884 O LEU A 116 -11.948 7.217 -14.298 1.00 0.00 O ATOM 1885 CB LEU A 116 -12.147 6.737 -11.033 1.00 0.00 C ATOM 1886 CG LEU A 116 -12.425 5.361 -11.655 1.00 0.00 C ATOM 1887 CD1 LEU A 116 -11.176 4.791 -12.312 1.00 0.00 C ATOM 1888 CD2 LEU A 116 -12.953 4.407 -10.597 1.00 0.00 C ATOM 0 H LEU A 116 -11.998 9.124 -10.387 1.00 0.00 H new ATOM 0 HA LEU A 116 -10.570 7.587 -12.215 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -11.428 6.609 -10.224 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -13.070 7.104 -10.584 1.00 0.00 H new ATOM 0 HG LEU A 116 -13.182 5.484 -12.430 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -11.404 3.816 -12.743 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -10.838 5.466 -13.099 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -10.390 4.682 -11.565 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -13.147 3.434 -11.049 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -12.213 4.298 -9.804 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -13.878 4.804 -10.179 1.00 0.00 H new ATOM 1900 N ALA A 117 -13.527 8.499 -13.344 1.00 0.00 N ATOM 1901 CA ALA A 117 -14.315 8.625 -14.570 1.00 0.00 C ATOM 1902 C ALA A 117 -13.597 9.482 -15.621 1.00 0.00 C ATOM 1903 O ALA A 117 -13.994 9.511 -16.786 1.00 0.00 O ATOM 1904 CB ALA A 117 -15.688 9.207 -14.259 1.00 0.00 C ATOM 0 H ALA A 117 -13.925 8.978 -12.536 1.00 0.00 H new ATOM 0 HA ALA A 117 -14.438 7.626 -14.988 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -16.263 9.295 -15.181 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -16.213 8.550 -13.565 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -15.572 10.193 -13.808 1.00 0.00 H new ATOM 1910 N LEU A 118 -12.543 10.177 -15.205 1.00 0.00 N ATOM 1911 CA LEU A 118 -11.769 11.026 -16.110 1.00 0.00 C ATOM 1912 C LEU A 118 -10.462 10.345 -16.511 1.00 0.00 C ATOM 1913 O LEU A 118 -9.705 10.866 -17.332 1.00 0.00 O ATOM 1914 CB LEU A 118 -11.445 12.374 -15.454 1.00 0.00 C ATOM 1915 CG LEU A 118 -12.644 13.221 -15.030 1.00 0.00 C ATOM 1916 CD1 LEU A 118 -12.163 14.517 -14.392 1.00 0.00 C ATOM 1917 CD2 LEU A 118 -13.544 13.511 -16.222 1.00 0.00 C ATOM 0 H LEU A 118 -12.203 10.170 -14.243 1.00 0.00 H new ATOM 0 HA LEU A 118 -12.378 11.193 -16.998 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -10.828 12.188 -14.575 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -10.841 12.958 -16.149 1.00 0.00 H new ATOM 0 HG LEU A 118 -13.226 12.664 -14.296 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -13.023 15.116 -14.092 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -11.557 14.288 -13.515 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -11.564 15.076 -15.111 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -14.392 14.115 -15.899 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -12.980 14.053 -16.981 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -13.906 12.572 -16.641 1.00 0.00 H new ATOM 1929 N LEU A 119 -10.184 9.196 -15.911 1.00 0.00 N ATOM 1930 CA LEU A 119 -8.962 8.462 -16.211 1.00 0.00 C ATOM 1931 C LEU A 119 -9.172 7.556 -17.412 1.00 0.00 C ATOM 1932 O LEU A 119 -9.683 6.443 -17.292 1.00 0.00 O ATOM 1933 CB LEU A 119 -8.484 7.662 -14.991 1.00 0.00 C ATOM 1934 CG LEU A 119 -7.471 8.390 -14.096 1.00 0.00 C ATOM 1935 CD1 LEU A 119 -7.971 9.768 -13.713 1.00 0.00 C ATOM 1936 CD2 LEU A 119 -7.174 7.586 -12.844 1.00 0.00 C ATOM 0 H LEU A 119 -10.785 8.753 -15.216 1.00 0.00 H new ATOM 0 HA LEU A 119 -8.181 9.182 -16.457 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -9.352 7.393 -14.388 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -8.036 6.731 -15.338 1.00 0.00 H new ATOM 0 HG LEU A 119 -6.551 8.500 -14.670 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -7.233 10.260 -13.079 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -8.129 10.361 -14.614 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -8.912 9.676 -13.170 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -6.454 8.125 -12.228 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -8.095 7.438 -12.280 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -6.760 6.617 -13.123 1.00 0.00 H new ATOM 1948 N VAL A 120 -8.807 8.070 -18.575 1.00 0.00 N ATOM 1949 CA VAL A 120 -8.963 7.344 -19.823 1.00 0.00 C ATOM 1950 C VAL A 120 -7.731 6.489 -20.097 1.00 0.00 C ATOM 1951 O VAL A 120 -6.608 6.882 -19.774 1.00 0.00 O ATOM 1952 CB VAL A 120 -9.193 8.317 -21.005 1.00 0.00 C ATOM 1953 CG1 VAL A 120 -9.516 7.561 -22.283 1.00 0.00 C ATOM 1954 CG2 VAL A 120 -10.304 9.304 -20.675 1.00 0.00 C ATOM 0 H VAL A 120 -8.396 8.998 -18.680 1.00 0.00 H new ATOM 0 HA VAL A 120 -9.836 6.698 -19.728 1.00 0.00 H new ATOM 0 HB VAL A 120 -8.269 8.873 -21.167 1.00 0.00 H new ATOM 0 HG11 VAL A 120 -9.673 8.270 -23.096 1.00 0.00 H new ATOM 0 HG12 VAL A 120 -8.687 6.899 -22.534 1.00 0.00 H new ATOM 0 HG13 VAL A 120 -10.421 6.970 -22.138 1.00 0.00 H new ATOM 0 HG21 VAL A 120 -10.452 9.980 -21.517 1.00 0.00 H new ATOM 0 HG22 VAL A 120 -11.228 8.760 -20.480 1.00 0.00 H new ATOM 0 HG23 VAL A 120 -10.029 9.880 -19.791 1.00 0.00 H new ATOM 1964 N SER A 121 -7.951 5.325 -20.689 1.00 0.00 N ATOM 1965 CA SER A 121 -6.877 4.395 -21.009 1.00 0.00 C ATOM 1966 C SER A 121 -5.941 4.969 -22.079 1.00 0.00 C ATOM 1967 O SER A 121 -6.194 6.044 -22.626 1.00 0.00 O ATOM 1968 CB SER A 121 -7.459 3.056 -21.465 1.00 0.00 C ATOM 1969 OG SER A 121 -8.342 3.219 -22.559 1.00 0.00 O ATOM 0 H SER A 121 -8.878 4.998 -20.961 1.00 0.00 H new ATOM 0 HA SER A 121 -6.287 4.235 -20.107 1.00 0.00 H new ATOM 0 HB2 SER A 121 -6.649 2.383 -21.747 1.00 0.00 H new ATOM 0 HB3 SER A 121 -7.988 2.587 -20.636 1.00 0.00 H new ATOM 0 HG SER A 121 -8.695 2.345 -22.827 1.00 0.00 H new ATOM 1975 N ALA A 122 -4.833 4.263 -22.320 1.00 0.00 N ATOM 1976 CA ALA A 122 -3.854 4.646 -23.336 1.00 0.00 C ATOM 1977 C ALA A 122 -4.525 5.016 -24.658 1.00 0.00 C ATOM 1978 O ALA A 122 -4.155 6.005 -25.294 1.00 0.00 O ATOM 1979 CB ALA A 122 -2.866 3.511 -23.549 1.00 0.00 C ATOM 0 H ALA A 122 -4.591 3.410 -21.815 1.00 0.00 H new ATOM 0 HA ALA A 122 -3.325 5.530 -22.978 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -2.138 3.800 -24.307 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -2.350 3.297 -22.613 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -3.401 2.621 -23.880 1.00 0.00 H new