USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 582 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 59 ASN : amide:sc= -4.51! C(o=-7.4!,f=-22!) USER MOD Set 1.2: A 62 GLN : amide:sc= -2.88 K(o=-7.4,f=-19!) USER MOD Single : A 13 ASN : amide:sc= -0.11 K(o=-0.11,f=-0.81) USER MOD Single : A 14 HIS : no HD1:sc= -4.27! K(o=-4.3!,f=-1.6) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -1.21 K(o=-1.2,f=-0.57) USER MOD Single : A 25 THR OG1 : rot -86:sc= 0.6 USER MOD Single : A 26 ASN : amide:sc= -4.45! C(o=-4.4!,f=-17!) USER MOD Single : A 29 MET CE :methyl -153:sc= -0.945 (180deg=-1.88!) USER MOD Single : A 31 SER OG : rot 86:sc= -2.58! USER MOD Single : A 32 MET CE :methyl -150:sc= -0.0197 (180deg=-0.837) USER MOD Single : A 35 ASN : amide:sc= -1.17 K(o=-1.2,f=-0.28) USER MOD Single : A 36 GLN : amide:sc= -0.899 K(o=-0.9,f=-6.3!) USER MOD Single : A 41 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.272) USER MOD Single : A 50 HIS : no HE2:sc= -11.6! C(o=-12!,f=-12!) USER MOD Single : A 71 GLN : amide:sc= -1.48 K(o=-1.5,f=-0.8) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.375 USER MOD Single : A 77 GLN : amide:sc= -0.174 X(o=-0.17,f=-0.0043) USER MOD Single : A 78 ASN : amide:sc= -0.393 X(o=-0.39,f=0) USER MOD Single : A 79 ASN : amide:sc= -1.4 K(o=-1.4,f=-0.034) USER MOD Single : A 81 MET CE :methyl -154:sc= -1.47! (180deg=-4.39!) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 172 N ASN A 13 -8.394 -0.439 -4.528 1.00 0.00 N ATOM 173 CA ASN A 13 -8.803 0.964 -4.882 1.00 0.00 C ATOM 174 C ASN A 13 -7.870 1.633 -5.883 1.00 0.00 C ATOM 175 O ASN A 13 -8.307 1.919 -6.985 1.00 0.00 O ATOM 176 CB ASN A 13 -8.916 1.722 -3.550 1.00 0.00 C ATOM 177 CG ASN A 13 -10.353 1.601 -3.011 1.00 0.00 C ATOM 178 OD1 ASN A 13 -11.339 1.617 -3.705 1.00 0.00 O ATOM 179 ND2 ASN A 13 -10.518 1.471 -1.719 1.00 0.00 N ATOM 0 HA ASN A 13 -9.759 0.965 -5.406 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -8.209 1.315 -2.827 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -8.657 2.771 -3.693 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -11.457 1.387 -1.331 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -9.707 1.453 -1.101 1.00 0.00 H new ATOM 186 N HIS A 14 -6.662 1.858 -5.475 1.00 0.00 N ATOM 187 CA HIS A 14 -5.586 2.485 -6.265 1.00 0.00 C ATOM 188 C HIS A 14 -4.678 3.332 -5.334 1.00 0.00 C ATOM 189 O HIS A 14 -3.646 3.782 -5.733 1.00 0.00 O ATOM 190 CB HIS A 14 -6.087 3.485 -7.322 1.00 0.00 C ATOM 191 CG HIS A 14 -7.024 4.509 -6.756 1.00 0.00 C ATOM 192 ND1 HIS A 14 -6.927 5.834 -7.201 1.00 0.00 N ATOM 193 CD2 HIS A 14 -8.036 4.577 -5.853 1.00 0.00 C ATOM 194 CE1 HIS A 14 -7.822 6.624 -6.599 1.00 0.00 C ATOM 195 NE2 HIS A 14 -8.530 5.890 -5.757 1.00 0.00 N ATOM 0 H HIS A 14 -6.357 1.605 -4.535 1.00 0.00 H new ATOM 0 HA HIS A 14 -5.078 1.652 -6.750 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -5.232 3.991 -7.771 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -6.591 2.940 -8.121 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -8.410 3.737 -5.286 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -7.946 7.683 -6.771 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -9.287 6.213 -5.155 1.00 0.00 H new ATOM 204 N ILE A 15 -5.028 3.573 -4.090 1.00 0.00 N ATOM 205 CA ILE A 15 -4.233 4.386 -3.111 1.00 0.00 C ATOM 206 C ILE A 15 -4.191 3.492 -1.847 1.00 0.00 C ATOM 207 O ILE A 15 -5.210 3.278 -1.262 1.00 0.00 O ATOM 208 CB ILE A 15 -4.779 5.764 -2.794 1.00 0.00 C ATOM 209 CG1 ILE A 15 -4.282 6.739 -3.888 1.00 0.00 C ATOM 210 CG2 ILE A 15 -4.200 6.322 -1.479 1.00 0.00 C ATOM 211 CD1 ILE A 15 -4.819 8.147 -3.675 1.00 0.00 C ATOM 0 H ILE A 15 -5.894 3.212 -3.690 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.256 4.624 -3.533 1.00 0.00 H new ATOM 0 HB ILE A 15 -5.864 5.679 -2.729 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -3.192 6.761 -3.887 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -4.593 6.376 -4.868 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -4.617 7.311 -1.289 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -4.458 5.655 -0.656 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -3.116 6.395 -1.561 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -4.447 8.801 -4.464 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -5.909 8.129 -3.702 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -4.486 8.521 -2.707 1.00 0.00 H new ATOM 223 N LEU A 16 -3.014 3.007 -1.534 1.00 0.00 N ATOM 224 CA LEU A 16 -2.832 2.071 -0.391 1.00 0.00 C ATOM 225 C LEU A 16 -1.814 2.685 0.608 1.00 0.00 C ATOM 226 O LEU A 16 -0.645 2.885 0.357 1.00 0.00 O ATOM 227 CB LEU A 16 -2.361 0.737 -0.917 1.00 0.00 C ATOM 228 CG LEU A 16 -3.009 0.361 -2.269 1.00 0.00 C ATOM 229 CD1 LEU A 16 -1.973 -0.026 -3.305 1.00 0.00 C ATOM 230 CD2 LEU A 16 -3.948 -0.849 -2.071 1.00 0.00 C ATOM 0 H LEU A 16 -2.155 3.229 -2.037 1.00 0.00 H new ATOM 0 HA LEU A 16 -3.773 1.915 0.136 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.277 0.760 -1.033 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.587 -0.037 -0.184 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.554 1.237 -2.621 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -2.471 -0.283 -4.240 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.296 0.812 -3.473 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.405 -0.886 -2.949 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.405 -1.115 -3.024 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.375 -1.696 -1.695 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -4.727 -0.591 -1.354 1.00 0.00 H new ATOM 242 N PHE A 17 -2.400 3.005 1.768 1.00 0.00 N ATOM 243 CA PHE A 17 -1.782 3.691 2.892 1.00 0.00 C ATOM 244 C PHE A 17 -1.829 2.699 4.074 1.00 0.00 C ATOM 245 O PHE A 17 -2.852 2.147 4.304 1.00 0.00 O ATOM 246 CB PHE A 17 -2.431 4.989 3.319 1.00 0.00 C ATOM 247 CG PHE A 17 -2.256 5.069 4.836 1.00 0.00 C ATOM 248 CD1 PHE A 17 -1.003 5.446 5.384 1.00 0.00 C ATOM 249 CD2 PHE A 17 -3.355 4.761 5.633 1.00 0.00 C ATOM 250 CE1 PHE A 17 -0.895 5.506 6.786 1.00 0.00 C ATOM 251 CE2 PHE A 17 -3.229 4.826 7.040 1.00 0.00 C ATOM 252 CZ PHE A 17 -2.001 5.199 7.577 1.00 0.00 C ATOM 0 H PHE A 17 -3.377 2.775 1.951 1.00 0.00 H new ATOM 0 HA PHE A 17 -0.779 3.982 2.580 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -1.961 5.840 2.827 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -3.486 5.006 3.047 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -0.162 5.679 4.748 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -4.294 4.475 5.182 1.00 0.00 H new ATOM 0 HE1 PHE A 17 0.040 5.788 7.247 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -4.065 4.592 7.682 1.00 0.00 H new ATOM 0 HZ PHE A 17 -1.900 5.253 8.651 1.00 0.00 H new ATOM 262 N LEU A 18 -0.688 2.508 4.625 1.00 0.00 N ATOM 263 CA LEU A 18 -0.608 1.626 5.757 1.00 0.00 C ATOM 264 C LEU A 18 0.831 1.678 6.187 1.00 0.00 C ATOM 265 O LEU A 18 1.609 2.461 5.682 1.00 0.00 O ATOM 266 CB LEU A 18 -1.345 0.324 5.791 1.00 0.00 C ATOM 267 CG LEU A 18 -1.688 -0.039 7.259 1.00 0.00 C ATOM 268 CD1 LEU A 18 -3.185 0.209 7.545 1.00 0.00 C ATOM 269 CD2 LEU A 18 -1.433 -1.491 7.575 1.00 0.00 C ATOM 0 H LEU A 18 0.191 2.933 4.329 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.276 1.988 6.538 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.258 0.396 5.200 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -0.737 -0.462 5.344 1.00 0.00 H new ATOM 0 HG LEU A 18 -1.045 0.592 7.872 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.406 -0.052 8.580 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.418 1.261 7.378 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -3.790 -0.407 6.879 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.691 -1.688 8.616 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.044 -2.118 6.925 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -0.380 -1.719 7.413 1.00 0.00 H new ATOM 281 N THR A 19 1.095 0.960 7.158 1.00 0.00 N ATOM 282 CA THR A 19 2.375 0.962 7.788 1.00 0.00 C ATOM 283 C THR A 19 2.805 -0.470 7.977 1.00 0.00 C ATOM 284 O THR A 19 2.189 -1.453 7.582 1.00 0.00 O ATOM 285 CB THR A 19 2.168 1.523 9.225 1.00 0.00 C ATOM 286 OG1 THR A 19 1.615 0.468 10.021 1.00 0.00 O ATOM 287 CG2 THR A 19 1.170 2.666 9.231 1.00 0.00 C ATOM 0 H THR A 19 0.426 0.317 7.581 1.00 0.00 H new ATOM 0 HA THR A 19 3.095 1.533 7.201 1.00 0.00 H new ATOM 0 HB THR A 19 3.123 1.883 9.607 1.00 0.00 H new ATOM 0 HG1 THR A 19 1.473 0.789 10.936 1.00 0.00 H new ATOM 0 HG21 THR A 19 1.047 3.036 10.249 1.00 0.00 H new ATOM 0 HG22 THR A 19 1.535 3.471 8.594 1.00 0.00 H new ATOM 0 HG23 THR A 19 0.210 2.313 8.855 1.00 0.00 H new ATOM 295 N ASN A 20 3.895 -0.558 8.515 1.00 0.00 N ATOM 296 CA ASN A 20 4.623 -1.836 8.849 1.00 0.00 C ATOM 297 C ASN A 20 5.969 -1.820 8.098 1.00 0.00 C ATOM 298 O ASN A 20 6.447 -2.815 7.576 1.00 0.00 O ATOM 299 CB ASN A 20 3.820 -3.089 8.653 1.00 0.00 C ATOM 300 CG ASN A 20 4.457 -4.217 9.502 1.00 0.00 C ATOM 301 OD1 ASN A 20 5.536 -4.694 9.276 1.00 0.00 O ATOM 302 ND2 ASN A 20 3.787 -4.693 10.531 1.00 0.00 N ATOM 0 H ASN A 20 4.422 0.270 8.793 1.00 0.00 H new ATOM 0 HA ASN A 20 4.808 -1.865 9.923 1.00 0.00 H new ATOM 0 HB2 ASN A 20 2.785 -2.927 8.954 1.00 0.00 H new ATOM 0 HB3 ASN A 20 3.806 -3.369 7.600 1.00 0.00 H new ATOM 0 HD21 ASN A 20 4.188 -5.438 11.100 1.00 0.00 H new ATOM 0 HD22 ASN A 20 2.867 -4.317 10.759 1.00 0.00 H new ATOM 309 N LEU A 21 6.614 -0.688 8.038 1.00 0.00 N ATOM 310 CA LEU A 21 7.943 -0.566 7.348 1.00 0.00 C ATOM 311 C LEU A 21 8.935 -0.120 8.431 1.00 0.00 C ATOM 312 O LEU A 21 8.689 0.836 9.155 1.00 0.00 O ATOM 313 CB LEU A 21 7.760 0.495 6.270 1.00 0.00 C ATOM 314 CG LEU A 21 6.387 0.286 5.646 1.00 0.00 C ATOM 315 CD1 LEU A 21 5.328 1.135 6.374 1.00 0.00 C ATOM 316 CD2 LEU A 21 6.351 0.779 4.184 1.00 0.00 C ATOM 0 H LEU A 21 6.272 0.182 8.446 1.00 0.00 H new ATOM 0 HA LEU A 21 8.306 -1.483 6.885 1.00 0.00 H new ATOM 0 HB2 LEU A 21 7.837 1.494 6.699 1.00 0.00 H new ATOM 0 HB3 LEU A 21 8.541 0.411 5.514 1.00 0.00 H new ATOM 0 HG LEU A 21 6.185 -0.783 5.715 1.00 0.00 H new ATOM 0 HD11 LEU A 21 4.353 0.973 5.914 1.00 0.00 H new ATOM 0 HD12 LEU A 21 5.287 0.844 7.424 1.00 0.00 H new ATOM 0 HD13 LEU A 21 5.593 2.190 6.300 1.00 0.00 H new ATOM 0 HD21 LEU A 21 5.357 0.615 3.769 1.00 0.00 H new ATOM 0 HD22 LEU A 21 6.586 1.843 4.153 1.00 0.00 H new ATOM 0 HD23 LEU A 21 7.085 0.228 3.596 1.00 0.00 H new ATOM 328 N PRO A 22 10.046 -0.778 8.576 1.00 0.00 N ATOM 329 CA PRO A 22 11.051 -0.417 9.603 1.00 0.00 C ATOM 330 C PRO A 22 11.695 0.936 9.363 1.00 0.00 C ATOM 331 O PRO A 22 11.329 1.742 8.550 1.00 0.00 O ATOM 332 CB PRO A 22 12.137 -1.491 9.542 1.00 0.00 C ATOM 333 CG PRO A 22 11.985 -2.103 8.126 1.00 0.00 C ATOM 334 CD PRO A 22 10.493 -1.941 7.799 1.00 0.00 C ATOM 0 HA PRO A 22 10.555 -0.358 10.572 1.00 0.00 H new ATOM 0 HB2 PRO A 22 13.129 -1.063 9.687 1.00 0.00 H new ATOM 0 HB3 PRO A 22 11.998 -2.243 10.318 1.00 0.00 H new ATOM 0 HG2 PRO A 22 12.610 -1.584 7.399 1.00 0.00 H new ATOM 0 HG3 PRO A 22 12.284 -3.151 8.112 1.00 0.00 H new ATOM 0 HD2 PRO A 22 10.340 -1.782 6.732 1.00 0.00 H new ATOM 0 HD3 PRO A 22 9.932 -2.835 8.072 1.00 0.00 H new ATOM 342 N GLU A 23 12.735 1.229 10.115 1.00 0.00 N ATOM 343 CA GLU A 23 13.453 2.527 9.973 1.00 0.00 C ATOM 344 C GLU A 23 14.604 2.378 8.996 1.00 0.00 C ATOM 345 O GLU A 23 15.261 3.337 8.621 1.00 0.00 O ATOM 346 CB GLU A 23 14.041 2.941 11.339 1.00 0.00 C ATOM 347 CG GLU A 23 12.939 3.025 12.396 1.00 0.00 C ATOM 348 CD GLU A 23 12.799 1.675 13.106 1.00 0.00 C ATOM 349 OE1 GLU A 23 13.532 1.456 14.073 1.00 0.00 O ATOM 350 OE2 GLU A 23 11.973 0.852 12.712 1.00 0.00 O ATOM 0 H GLU A 23 13.117 0.609 10.830 1.00 0.00 H new ATOM 0 HA GLU A 23 12.749 3.277 9.613 1.00 0.00 H new ATOM 0 HB2 GLU A 23 14.796 2.219 11.650 1.00 0.00 H new ATOM 0 HB3 GLU A 23 14.540 3.906 11.249 1.00 0.00 H new ATOM 0 HG2 GLU A 23 13.175 3.805 13.120 1.00 0.00 H new ATOM 0 HG3 GLU A 23 11.994 3.300 11.928 1.00 0.00 H new ATOM 357 N GLU A 24 14.885 1.190 8.560 1.00 0.00 N ATOM 358 CA GLU A 24 15.986 0.930 7.607 1.00 0.00 C ATOM 359 C GLU A 24 15.417 0.918 6.187 1.00 0.00 C ATOM 360 O GLU A 24 16.062 0.562 5.231 1.00 0.00 O ATOM 361 CB GLU A 24 16.580 -0.447 7.969 1.00 0.00 C ATOM 362 CG GLU A 24 16.814 -0.444 9.474 1.00 0.00 C ATOM 363 CD GLU A 24 18.093 -1.256 9.746 1.00 0.00 C ATOM 364 OE1 GLU A 24 18.093 -2.442 9.481 1.00 0.00 O ATOM 365 OE2 GLU A 24 19.057 -0.681 10.211 1.00 0.00 O ATOM 0 H GLU A 24 14.373 0.353 8.839 1.00 0.00 H new ATOM 0 HA GLU A 24 16.759 1.696 7.659 1.00 0.00 H new ATOM 0 HB2 GLU A 24 15.898 -1.249 7.686 1.00 0.00 H new ATOM 0 HB3 GLU A 24 17.514 -0.618 7.433 1.00 0.00 H new ATOM 0 HG2 GLU A 24 16.922 0.576 9.843 1.00 0.00 H new ATOM 0 HG3 GLU A 24 15.963 -0.883 9.995 1.00 0.00 H new ATOM 372 N THR A 25 14.180 1.316 6.046 1.00 0.00 N ATOM 373 CA THR A 25 13.536 1.340 4.691 1.00 0.00 C ATOM 374 C THR A 25 13.714 2.738 4.127 1.00 0.00 C ATOM 375 O THR A 25 14.180 3.609 4.847 1.00 0.00 O ATOM 376 CB THR A 25 12.026 1.103 4.835 1.00 0.00 C ATOM 377 OG1 THR A 25 11.555 1.744 6.022 1.00 0.00 O ATOM 378 CG2 THR A 25 11.708 -0.396 4.963 1.00 0.00 C ATOM 0 H THR A 25 13.582 1.627 6.812 1.00 0.00 H new ATOM 0 HA THR A 25 13.981 0.576 4.054 1.00 0.00 H new ATOM 0 HB THR A 25 11.541 1.506 3.946 1.00 0.00 H new ATOM 0 HG1 THR A 25 11.677 1.145 6.788 1.00 0.00 H new ATOM 0 HG21 THR A 25 10.631 -0.532 5.064 1.00 0.00 H new ATOM 0 HG22 THR A 25 12.059 -0.920 4.074 1.00 0.00 H new ATOM 0 HG23 THR A 25 12.209 -0.800 5.843 1.00 0.00 H new ATOM 386 N ASN A 26 13.370 3.001 2.892 1.00 0.00 N ATOM 387 CA ASN A 26 13.571 4.393 2.409 1.00 0.00 C ATOM 388 C ASN A 26 12.568 4.770 1.282 1.00 0.00 C ATOM 389 O ASN A 26 11.872 3.974 0.705 1.00 0.00 O ATOM 390 CB ASN A 26 15.024 4.654 2.009 1.00 0.00 C ATOM 391 CG ASN A 26 15.389 4.048 0.662 1.00 0.00 C ATOM 392 OD1 ASN A 26 14.949 4.528 -0.356 1.00 0.00 O ATOM 393 ND2 ASN A 26 16.186 3.002 0.642 1.00 0.00 N ATOM 0 H ASN A 26 12.975 2.340 2.223 1.00 0.00 H new ATOM 0 HA ASN A 26 13.356 5.056 3.247 1.00 0.00 H new ATOM 0 HB2 ASN A 26 15.198 5.729 1.976 1.00 0.00 H new ATOM 0 HB3 ASN A 26 15.684 4.247 2.775 1.00 0.00 H new ATOM 0 HD21 ASN A 26 16.447 2.576 -0.248 1.00 0.00 H new ATOM 0 HD22 ASN A 26 16.544 2.616 1.516 1.00 0.00 H new ATOM 400 N GLU A 27 12.483 6.046 0.948 1.00 0.00 N ATOM 401 CA GLU A 27 11.560 6.555 -0.093 1.00 0.00 C ATOM 402 C GLU A 27 11.999 6.112 -1.505 1.00 0.00 C ATOM 403 O GLU A 27 11.140 5.931 -2.322 1.00 0.00 O ATOM 404 CB GLU A 27 11.452 8.073 -0.116 1.00 0.00 C ATOM 405 CG GLU A 27 12.345 8.760 0.895 1.00 0.00 C ATOM 406 CD GLU A 27 13.831 8.712 0.494 1.00 0.00 C ATOM 407 OE1 GLU A 27 14.388 7.632 0.398 1.00 0.00 O ATOM 408 OE2 GLU A 27 14.368 9.801 0.291 1.00 0.00 O ATOM 0 H GLU A 27 13.048 6.774 1.384 1.00 0.00 H new ATOM 0 HA GLU A 27 10.591 6.130 0.170 1.00 0.00 H new ATOM 0 HB2 GLU A 27 11.704 8.432 -1.114 1.00 0.00 H new ATOM 0 HB3 GLU A 27 10.417 8.358 0.073 1.00 0.00 H new ATOM 0 HG2 GLU A 27 12.034 9.799 1.003 1.00 0.00 H new ATOM 0 HG3 GLU A 27 12.219 8.286 1.868 1.00 0.00 H new ATOM 415 N LEU A 28 13.269 5.950 -1.764 1.00 0.00 N ATOM 416 CA LEU A 28 13.776 5.513 -3.120 1.00 0.00 C ATOM 417 C LEU A 28 13.564 3.977 -3.205 1.00 0.00 C ATOM 418 O LEU A 28 13.525 3.369 -4.251 1.00 0.00 O ATOM 419 CB LEU A 28 15.248 5.870 -3.196 1.00 0.00 C ATOM 420 CG LEU A 28 15.985 5.117 -4.311 1.00 0.00 C ATOM 421 CD1 LEU A 28 15.629 5.691 -5.676 1.00 0.00 C ATOM 422 CD2 LEU A 28 17.493 5.240 -4.035 1.00 0.00 C ATOM 0 H LEU A 28 14.007 6.105 -1.077 1.00 0.00 H new ATOM 0 HA LEU A 28 13.256 5.998 -3.946 1.00 0.00 H new ATOM 0 HB2 LEU A 28 15.349 6.943 -3.360 1.00 0.00 H new ATOM 0 HB3 LEU A 28 15.721 5.648 -2.239 1.00 0.00 H new ATOM 0 HG LEU A 28 15.690 4.068 -4.322 1.00 0.00 H new ATOM 0 HD11 LEU A 28 16.163 5.142 -6.452 1.00 0.00 H new ATOM 0 HD12 LEU A 28 14.555 5.600 -5.840 1.00 0.00 H new ATOM 0 HD13 LEU A 28 15.914 6.742 -5.714 1.00 0.00 H new ATOM 0 HD21 LEU A 28 18.049 4.714 -4.811 1.00 0.00 H new ATOM 0 HD22 LEU A 28 17.778 6.292 -4.034 1.00 0.00 H new ATOM 0 HD23 LEU A 28 17.722 4.801 -3.064 1.00 0.00 H new ATOM 434 N MET A 29 13.427 3.390 -2.033 1.00 0.00 N ATOM 435 CA MET A 29 13.213 1.915 -1.916 1.00 0.00 C ATOM 436 C MET A 29 11.752 1.668 -2.307 1.00 0.00 C ATOM 437 O MET A 29 11.390 0.916 -3.214 1.00 0.00 O ATOM 438 CB MET A 29 13.367 1.532 -0.443 1.00 0.00 C ATOM 439 CG MET A 29 13.582 0.038 -0.286 1.00 0.00 C ATOM 440 SD MET A 29 12.081 -0.717 0.359 1.00 0.00 S ATOM 441 CE MET A 29 12.536 -2.445 0.171 1.00 0.00 C ATOM 0 H MET A 29 13.456 3.884 -1.141 1.00 0.00 H new ATOM 0 HA MET A 29 13.910 1.350 -2.535 1.00 0.00 H new ATOM 0 HB2 MET A 29 14.210 2.071 -0.010 1.00 0.00 H new ATOM 0 HB3 MET A 29 12.477 1.834 0.109 1.00 0.00 H new ATOM 0 HG2 MET A 29 13.842 -0.406 -1.247 1.00 0.00 H new ATOM 0 HG3 MET A 29 14.417 -0.152 0.389 1.00 0.00 H new ATOM 0 HE1 MET A 29 11.636 -3.047 0.051 1.00 0.00 H new ATOM 0 HE2 MET A 29 13.170 -2.561 -0.708 1.00 0.00 H new ATOM 0 HE3 MET A 29 13.079 -2.777 1.056 1.00 0.00 H new ATOM 451 N LEU A 30 10.904 2.353 -1.578 1.00 0.00 N ATOM 452 CA LEU A 30 9.440 2.288 -1.780 1.00 0.00 C ATOM 453 C LEU A 30 9.120 2.851 -3.169 1.00 0.00 C ATOM 454 O LEU A 30 8.248 2.464 -3.888 1.00 0.00 O ATOM 455 CB LEU A 30 8.751 3.087 -0.655 1.00 0.00 C ATOM 456 CG LEU A 30 8.001 2.105 0.252 1.00 0.00 C ATOM 457 CD1 LEU A 30 8.935 1.503 1.318 1.00 0.00 C ATOM 458 CD2 LEU A 30 6.911 2.864 0.992 1.00 0.00 C ATOM 0 H LEU A 30 11.189 2.977 -0.823 1.00 0.00 H new ATOM 0 HA LEU A 30 9.072 1.263 -1.735 1.00 0.00 H new ATOM 0 HB2 LEU A 30 9.490 3.645 -0.080 1.00 0.00 H new ATOM 0 HB3 LEU A 30 8.059 3.816 -1.077 1.00 0.00 H new ATOM 0 HG LEU A 30 7.598 1.308 -0.373 1.00 0.00 H new ATOM 0 HD11 LEU A 30 8.373 0.811 1.945 1.00 0.00 H new ATOM 0 HD12 LEU A 30 9.750 0.969 0.828 1.00 0.00 H new ATOM 0 HD13 LEU A 30 9.344 2.302 1.936 1.00 0.00 H new ATOM 0 HD21 LEU A 30 6.368 2.178 1.642 1.00 0.00 H new ATOM 0 HD22 LEU A 30 7.362 3.654 1.593 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.221 3.305 0.272 1.00 0.00 H new ATOM 470 N SER A 31 9.906 3.836 -3.561 1.00 0.00 N ATOM 471 CA SER A 31 9.737 4.478 -4.875 1.00 0.00 C ATOM 472 C SER A 31 10.176 3.485 -5.961 1.00 0.00 C ATOM 473 O SER A 31 9.520 3.407 -6.965 1.00 0.00 O ATOM 474 CB SER A 31 10.633 5.715 -5.051 1.00 0.00 C ATOM 475 OG SER A 31 10.019 6.870 -4.495 1.00 0.00 O ATOM 0 H SER A 31 10.668 4.216 -3.000 1.00 0.00 H new ATOM 0 HA SER A 31 8.691 4.774 -4.950 1.00 0.00 H new ATOM 0 HB2 SER A 31 11.596 5.543 -4.570 1.00 0.00 H new ATOM 0 HB3 SER A 31 10.831 5.878 -6.110 1.00 0.00 H new ATOM 0 HG SER A 31 10.228 6.924 -3.539 1.00 0.00 H new ATOM 481 N MET A 32 11.223 2.752 -5.793 1.00 0.00 N ATOM 482 CA MET A 32 11.580 1.806 -6.898 1.00 0.00 C ATOM 483 C MET A 32 10.668 0.586 -6.926 1.00 0.00 C ATOM 484 O MET A 32 10.347 -0.021 -7.945 1.00 0.00 O ATOM 485 CB MET A 32 12.995 1.299 -6.551 1.00 0.00 C ATOM 486 CG MET A 32 14.075 2.060 -7.285 1.00 0.00 C ATOM 487 SD MET A 32 15.322 0.883 -7.921 1.00 0.00 S ATOM 488 CE MET A 32 15.742 0.110 -6.338 1.00 0.00 C ATOM 0 H MET A 32 11.836 2.753 -4.977 1.00 0.00 H new ATOM 0 HA MET A 32 11.498 2.313 -7.859 1.00 0.00 H new ATOM 0 HB2 MET A 32 13.157 1.389 -5.477 1.00 0.00 H new ATOM 0 HB3 MET A 32 13.069 0.240 -6.797 1.00 0.00 H new ATOM 0 HG2 MET A 32 13.640 2.627 -8.108 1.00 0.00 H new ATOM 0 HG3 MET A 32 14.546 2.780 -6.616 1.00 0.00 H new ATOM 0 HE1 MET A 32 16.780 -0.223 -6.360 1.00 0.00 H new ATOM 0 HE2 MET A 32 15.610 0.833 -5.533 1.00 0.00 H new ATOM 0 HE3 MET A 32 15.090 -0.746 -6.167 1.00 0.00 H new ATOM 498 N LEU A 33 10.214 0.206 -5.744 1.00 0.00 N ATOM 499 CA LEU A 33 9.320 -1.005 -5.608 1.00 0.00 C ATOM 500 C LEU A 33 7.954 -0.593 -6.128 1.00 0.00 C ATOM 501 O LEU A 33 7.228 -1.310 -6.770 1.00 0.00 O ATOM 502 CB LEU A 33 9.163 -1.331 -4.100 1.00 0.00 C ATOM 503 CG LEU A 33 10.225 -2.293 -3.606 1.00 0.00 C ATOM 504 CD1 LEU A 33 9.919 -2.753 -2.173 1.00 0.00 C ATOM 505 CD2 LEU A 33 10.354 -3.511 -4.537 1.00 0.00 C ATOM 0 H LEU A 33 10.424 0.682 -4.867 1.00 0.00 H new ATOM 0 HA LEU A 33 9.727 -1.862 -6.145 1.00 0.00 H new ATOM 0 HB2 LEU A 33 9.216 -0.407 -3.523 1.00 0.00 H new ATOM 0 HB3 LEU A 33 8.177 -1.760 -3.924 1.00 0.00 H new ATOM 0 HG LEU A 33 11.176 -1.761 -3.608 1.00 0.00 H new ATOM 0 HD11 LEU A 33 10.694 -3.443 -1.839 1.00 0.00 H new ATOM 0 HD12 LEU A 33 9.893 -1.888 -1.511 1.00 0.00 H new ATOM 0 HD13 LEU A 33 8.952 -3.256 -2.151 1.00 0.00 H new ATOM 0 HD21 LEU A 33 11.124 -4.181 -4.155 1.00 0.00 H new ATOM 0 HD22 LEU A 33 9.401 -4.039 -4.579 1.00 0.00 H new ATOM 0 HD23 LEU A 33 10.628 -3.177 -5.538 1.00 0.00 H new ATOM 517 N PHE A 34 7.631 0.638 -5.811 1.00 0.00 N ATOM 518 CA PHE A 34 6.293 1.128 -6.314 1.00 0.00 C ATOM 519 C PHE A 34 6.440 1.535 -7.780 1.00 0.00 C ATOM 520 O PHE A 34 5.497 1.554 -8.546 1.00 0.00 O ATOM 521 CB PHE A 34 5.725 2.221 -5.433 1.00 0.00 C ATOM 522 CG PHE A 34 5.278 1.568 -4.131 1.00 0.00 C ATOM 523 CD1 PHE A 34 4.429 0.446 -4.216 1.00 0.00 C ATOM 524 CD2 PHE A 34 5.687 2.043 -2.898 1.00 0.00 C ATOM 525 CE1 PHE A 34 3.981 -0.220 -3.067 1.00 0.00 C ATOM 526 CE2 PHE A 34 5.230 1.362 -1.752 1.00 0.00 C ATOM 527 CZ PHE A 34 4.398 0.253 -1.813 1.00 0.00 C ATOM 0 H PHE A 34 8.188 1.293 -5.263 1.00 0.00 H new ATOM 0 HA PHE A 34 5.559 0.324 -6.260 1.00 0.00 H new ATOM 0 HB2 PHE A 34 6.475 2.988 -5.240 1.00 0.00 H new ATOM 0 HB3 PHE A 34 4.885 2.713 -5.924 1.00 0.00 H new ATOM 0 HD1 PHE A 34 4.117 0.092 -5.187 1.00 0.00 H new ATOM 0 HD2 PHE A 34 6.333 2.905 -2.816 1.00 0.00 H new ATOM 0 HE1 PHE A 34 3.330 -1.078 -3.145 1.00 0.00 H new ATOM 0 HE2 PHE A 34 5.542 1.720 -0.782 1.00 0.00 H new ATOM 0 HZ PHE A 34 4.076 -0.240 -0.908 1.00 0.00 H new ATOM 537 N ASN A 35 7.666 1.849 -8.122 1.00 0.00 N ATOM 538 CA ASN A 35 8.040 2.260 -9.495 1.00 0.00 C ATOM 539 C ASN A 35 7.875 1.020 -10.402 1.00 0.00 C ATOM 540 O ASN A 35 7.375 1.202 -11.493 1.00 0.00 O ATOM 541 CB ASN A 35 9.490 2.700 -9.624 1.00 0.00 C ATOM 542 CG ASN A 35 9.951 2.617 -11.096 1.00 0.00 C ATOM 543 OD1 ASN A 35 11.043 2.154 -11.329 1.00 0.00 O ATOM 544 ND2 ASN A 35 9.180 3.033 -12.049 1.00 0.00 N ATOM 0 H ASN A 35 8.450 1.833 -7.470 1.00 0.00 H new ATOM 0 HA ASN A 35 7.406 3.104 -9.767 1.00 0.00 H new ATOM 0 HB2 ASN A 35 9.600 3.721 -9.259 1.00 0.00 H new ATOM 0 HB3 ASN A 35 10.125 2.069 -9.002 1.00 0.00 H new ATOM 0 HD21 ASN A 35 9.490 2.973 -13.019 1.00 0.00 H new ATOM 0 HD22 ASN A 35 8.262 3.420 -11.830 1.00 0.00 H new ATOM 551 N GLN A 36 8.278 -0.131 -9.941 1.00 0.00 N ATOM 552 CA GLN A 36 8.162 -1.402 -10.682 1.00 0.00 C ATOM 553 C GLN A 36 6.956 -1.419 -11.658 1.00 0.00 C ATOM 554 O GLN A 36 6.999 -1.925 -12.748 1.00 0.00 O ATOM 555 CB GLN A 36 7.879 -2.536 -9.672 1.00 0.00 C ATOM 556 CG GLN A 36 9.161 -3.164 -9.152 1.00 0.00 C ATOM 557 CD GLN A 36 8.744 -4.270 -8.167 1.00 0.00 C ATOM 558 OE1 GLN A 36 9.045 -4.192 -7.002 1.00 0.00 O ATOM 559 NE2 GLN A 36 8.060 -5.278 -8.648 1.00 0.00 N ATOM 0 H GLN A 36 8.708 -0.237 -9.022 1.00 0.00 H new ATOM 0 HA GLN A 36 9.092 -1.524 -11.238 1.00 0.00 H new ATOM 0 HB2 GLN A 36 7.303 -2.141 -8.835 1.00 0.00 H new ATOM 0 HB3 GLN A 36 7.267 -3.302 -10.148 1.00 0.00 H new ATOM 0 HG2 GLN A 36 9.749 -3.577 -9.971 1.00 0.00 H new ATOM 0 HG3 GLN A 36 9.784 -2.419 -8.656 1.00 0.00 H new ATOM 0 HE21 GLN A 36 7.825 -5.308 -9.640 1.00 0.00 H new ATOM 0 HE22 GLN A 36 7.762 -6.033 -8.031 1.00 0.00 H new ATOM 568 N PHE A 37 5.874 -0.828 -11.194 1.00 0.00 N ATOM 569 CA PHE A 37 4.565 -0.704 -11.952 1.00 0.00 C ATOM 570 C PHE A 37 4.372 0.617 -12.699 1.00 0.00 C ATOM 571 O PHE A 37 4.699 1.667 -12.203 1.00 0.00 O ATOM 572 CB PHE A 37 3.427 -0.905 -10.901 1.00 0.00 C ATOM 573 CG PHE A 37 3.599 -2.350 -10.428 1.00 0.00 C ATOM 574 CD1 PHE A 37 3.028 -3.421 -11.127 1.00 0.00 C ATOM 575 CD2 PHE A 37 4.343 -2.673 -9.278 1.00 0.00 C ATOM 576 CE1 PHE A 37 3.180 -4.738 -10.719 1.00 0.00 C ATOM 577 CE2 PHE A 37 4.494 -3.999 -8.870 1.00 0.00 C ATOM 578 CZ PHE A 37 3.919 -5.052 -9.580 1.00 0.00 C ATOM 0 H PHE A 37 5.839 -0.401 -10.268 1.00 0.00 H new ATOM 0 HA PHE A 37 4.556 -1.457 -12.740 1.00 0.00 H new ATOM 0 HB2 PHE A 37 3.521 -0.202 -10.073 1.00 0.00 H new ATOM 0 HB3 PHE A 37 2.444 -0.746 -11.344 1.00 0.00 H new ATOM 0 HD1 PHE A 37 2.449 -3.214 -12.015 1.00 0.00 H new ATOM 0 HD2 PHE A 37 4.804 -1.883 -8.703 1.00 0.00 H new ATOM 0 HE1 PHE A 37 2.720 -5.530 -11.291 1.00 0.00 H new ATOM 0 HE2 PHE A 37 5.070 -4.215 -7.983 1.00 0.00 H new ATOM 0 HZ PHE A 37 4.042 -6.076 -9.258 1.00 0.00 H new ATOM 588 N PRO A 38 3.824 0.499 -13.902 1.00 0.00 N ATOM 589 CA PRO A 38 3.555 1.676 -14.773 1.00 0.00 C ATOM 590 C PRO A 38 2.606 2.653 -14.039 1.00 0.00 C ATOM 591 O PRO A 38 2.483 3.824 -14.290 1.00 0.00 O ATOM 592 CB PRO A 38 2.859 1.070 -15.992 1.00 0.00 C ATOM 593 CG PRO A 38 2.524 -0.422 -15.741 1.00 0.00 C ATOM 594 CD PRO A 38 3.407 -0.768 -14.549 1.00 0.00 C ATOM 0 HA PRO A 38 4.451 2.237 -15.038 1.00 0.00 H new ATOM 0 HB2 PRO A 38 1.945 1.623 -16.208 1.00 0.00 H new ATOM 0 HB3 PRO A 38 3.501 1.162 -16.868 1.00 0.00 H new ATOM 0 HG2 PRO A 38 1.467 -0.568 -15.518 1.00 0.00 H new ATOM 0 HG3 PRO A 38 2.755 -1.040 -16.609 1.00 0.00 H new ATOM 0 HD2 PRO A 38 2.864 -1.396 -13.842 1.00 0.00 H new ATOM 0 HD3 PRO A 38 4.280 -1.335 -14.873 1.00 0.00 H new ATOM 602 N GLY A 39 1.916 2.084 -13.080 1.00 0.00 N ATOM 603 CA GLY A 39 0.924 2.804 -12.210 1.00 0.00 C ATOM 604 C GLY A 39 1.648 3.719 -11.205 1.00 0.00 C ATOM 605 O GLY A 39 0.959 4.436 -10.518 1.00 0.00 O ATOM 0 H GLY A 39 2.005 1.094 -12.852 1.00 0.00 H new ATOM 0 HA2 GLY A 39 0.251 3.396 -12.830 1.00 0.00 H new ATOM 0 HA3 GLY A 39 0.310 2.080 -11.674 1.00 0.00 H new ATOM 609 N PHE A 40 2.933 3.642 -11.182 1.00 0.00 N ATOM 610 CA PHE A 40 3.826 4.428 -10.301 1.00 0.00 C ATOM 611 C PHE A 40 3.300 5.858 -10.270 1.00 0.00 C ATOM 612 O PHE A 40 3.656 6.639 -11.104 1.00 0.00 O ATOM 613 CB PHE A 40 5.206 4.493 -10.972 1.00 0.00 C ATOM 614 CG PHE A 40 6.083 5.518 -10.284 1.00 0.00 C ATOM 615 CD1 PHE A 40 6.155 5.498 -8.893 1.00 0.00 C ATOM 616 CD2 PHE A 40 6.814 6.477 -10.995 1.00 0.00 C ATOM 617 CE1 PHE A 40 6.971 6.449 -8.244 1.00 0.00 C ATOM 618 CE2 PHE A 40 7.626 7.429 -10.366 1.00 0.00 C ATOM 619 CZ PHE A 40 7.691 7.395 -8.964 1.00 0.00 C ATOM 0 H PHE A 40 3.447 3.008 -11.794 1.00 0.00 H new ATOM 0 HA PHE A 40 3.875 3.986 -9.306 1.00 0.00 H new ATOM 0 HB2 PHE A 40 5.682 3.513 -10.933 1.00 0.00 H new ATOM 0 HB3 PHE A 40 5.093 4.751 -12.025 1.00 0.00 H new ATOM 0 HD1 PHE A 40 5.598 4.770 -8.323 1.00 0.00 H new ATOM 0 HD2 PHE A 40 6.749 6.483 -12.073 1.00 0.00 H new ATOM 0 HE1 PHE A 40 7.037 6.442 -7.166 1.00 0.00 H new ATOM 0 HE2 PHE A 40 8.180 8.160 -10.936 1.00 0.00 H new ATOM 0 HZ PHE A 40 8.307 8.111 -8.440 1.00 0.00 H new ATOM 629 N LYS A 41 2.460 6.137 -9.295 1.00 0.00 N ATOM 630 CA LYS A 41 1.914 7.515 -9.221 1.00 0.00 C ATOM 631 C LYS A 41 2.503 8.337 -8.072 1.00 0.00 C ATOM 632 O LYS A 41 3.119 9.367 -8.290 1.00 0.00 O ATOM 633 CB LYS A 41 0.378 7.537 -9.126 1.00 0.00 C ATOM 634 CG LYS A 41 -0.261 8.415 -10.177 1.00 0.00 C ATOM 635 CD LYS A 41 -0.059 9.878 -9.732 1.00 0.00 C ATOM 636 CE LYS A 41 0.023 10.754 -10.970 1.00 0.00 C ATOM 637 NZ LYS A 41 -1.248 10.630 -11.748 1.00 0.00 N ATOM 0 H LYS A 41 2.143 5.488 -8.575 1.00 0.00 H new ATOM 0 HA LYS A 41 2.216 7.979 -10.160 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -0.002 6.521 -9.228 1.00 0.00 H new ATOM 0 HB3 LYS A 41 0.085 7.890 -8.137 1.00 0.00 H new ATOM 0 HG2 LYS A 41 0.195 8.243 -11.152 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -1.322 8.186 -10.277 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -0.885 10.198 -9.096 1.00 0.00 H new ATOM 0 HD3 LYS A 41 0.852 9.971 -9.141 1.00 0.00 H new ATOM 0 HE2 LYS A 41 0.188 11.793 -10.684 1.00 0.00 H new ATOM 0 HE3 LYS A 41 0.871 10.454 -11.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -1.330 11.429 -12.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -1.242 9.738 -12.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -2.057 10.636 -11.095 1.00 0.00 H new ATOM 651 N GLU A 42 2.326 7.905 -6.852 1.00 0.00 N ATOM 652 CA GLU A 42 2.856 8.631 -5.692 1.00 0.00 C ATOM 653 C GLU A 42 3.338 7.596 -4.660 1.00 0.00 C ATOM 654 O GLU A 42 2.820 6.515 -4.518 1.00 0.00 O ATOM 655 CB GLU A 42 1.868 9.639 -5.088 1.00 0.00 C ATOM 656 CG GLU A 42 1.793 9.516 -3.554 1.00 0.00 C ATOM 657 CD GLU A 42 0.870 10.591 -2.980 1.00 0.00 C ATOM 658 OE1 GLU A 42 1.289 11.732 -3.059 1.00 0.00 O ATOM 659 OE2 GLU A 42 -0.184 10.251 -2.495 1.00 0.00 O ATOM 0 H GLU A 42 1.819 7.052 -6.619 1.00 0.00 H new ATOM 0 HA GLU A 42 3.692 9.248 -6.022 1.00 0.00 H new ATOM 0 HB2 GLU A 42 2.171 10.651 -5.357 1.00 0.00 H new ATOM 0 HB3 GLU A 42 0.878 9.478 -5.515 1.00 0.00 H new ATOM 0 HG2 GLU A 42 1.426 8.527 -3.279 1.00 0.00 H new ATOM 0 HG3 GLU A 42 2.790 9.616 -3.125 1.00 0.00 H new ATOM 666 N VAL A 43 4.362 8.005 -3.959 1.00 0.00 N ATOM 667 CA VAL A 43 5.040 7.227 -2.922 1.00 0.00 C ATOM 668 C VAL A 43 5.389 8.197 -1.779 1.00 0.00 C ATOM 669 O VAL A 43 6.096 9.167 -1.925 1.00 0.00 O ATOM 670 CB VAL A 43 6.333 6.577 -3.421 1.00 0.00 C ATOM 671 CG1 VAL A 43 6.080 5.445 -4.401 1.00 0.00 C ATOM 672 CG2 VAL A 43 7.241 7.670 -4.019 1.00 0.00 C ATOM 0 H VAL A 43 4.775 8.928 -4.091 1.00 0.00 H new ATOM 0 HA VAL A 43 4.377 6.423 -2.603 1.00 0.00 H new ATOM 0 HB VAL A 43 6.838 6.112 -2.574 1.00 0.00 H new ATOM 0 HG11 VAL A 43 7.032 5.021 -4.721 1.00 0.00 H new ATOM 0 HG12 VAL A 43 5.483 4.672 -3.917 1.00 0.00 H new ATOM 0 HG13 VAL A 43 5.543 5.828 -5.269 1.00 0.00 H new ATOM 0 HG21 VAL A 43 8.166 7.218 -4.378 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.728 8.155 -4.849 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.472 8.410 -3.253 1.00 0.00 H new ATOM 682 N ARG A 44 4.803 7.870 -0.681 1.00 0.00 N ATOM 683 CA ARG A 44 4.894 8.696 0.561 1.00 0.00 C ATOM 684 C ARG A 44 5.529 7.826 1.662 1.00 0.00 C ATOM 685 O ARG A 44 4.825 7.176 2.382 1.00 0.00 O ATOM 686 CB ARG A 44 3.524 9.209 0.964 1.00 0.00 C ATOM 687 CG ARG A 44 3.503 10.728 0.722 1.00 0.00 C ATOM 688 CD ARG A 44 4.603 11.439 1.522 1.00 0.00 C ATOM 689 NE ARG A 44 4.691 10.805 2.862 1.00 0.00 N ATOM 690 CZ ARG A 44 3.972 11.247 3.845 1.00 0.00 C ATOM 691 NH1 ARG A 44 4.068 12.481 4.216 1.00 0.00 N ATOM 692 NH2 ARG A 44 3.156 10.458 4.460 1.00 0.00 N ATOM 0 H ARG A 44 4.236 7.028 -0.577 1.00 0.00 H new ATOM 0 HA ARG A 44 5.516 9.575 0.393 1.00 0.00 H new ATOM 0 HB2 ARG A 44 2.745 8.718 0.381 1.00 0.00 H new ATOM 0 HB3 ARG A 44 3.325 8.986 2.012 1.00 0.00 H new ATOM 0 HG2 ARG A 44 3.636 10.930 -0.341 1.00 0.00 H new ATOM 0 HG3 ARG A 44 2.529 11.129 1.004 1.00 0.00 H new ATOM 0 HD2 ARG A 44 5.559 11.363 1.003 1.00 0.00 H new ATOM 0 HD3 ARG A 44 4.376 12.501 1.619 1.00 0.00 H new ATOM 0 HE ARG A 44 5.321 10.017 3.009 1.00 0.00 H new ATOM 0 HH11 ARG A 44 4.711 13.110 3.735 1.00 0.00 H new ATOM 0 HH12 ARG A 44 3.501 12.826 4.990 1.00 0.00 H new ATOM 0 HH21 ARG A 44 3.076 9.483 4.173 1.00 0.00 H new ATOM 0 HH22 ARG A 44 2.592 10.810 5.233 1.00 0.00 H new ATOM 706 N LEU A 45 6.817 7.917 1.694 1.00 0.00 N ATOM 707 CA LEU A 45 7.680 7.252 2.701 1.00 0.00 C ATOM 708 C LEU A 45 8.834 8.235 3.010 1.00 0.00 C ATOM 709 O LEU A 45 9.849 8.221 2.341 1.00 0.00 O ATOM 710 CB LEU A 45 8.321 5.964 2.182 1.00 0.00 C ATOM 711 CG LEU A 45 9.020 5.290 3.389 1.00 0.00 C ATOM 712 CD1 LEU A 45 7.994 4.633 4.293 1.00 0.00 C ATOM 713 CD2 LEU A 45 9.989 4.233 2.883 1.00 0.00 C ATOM 0 H LEU A 45 7.345 8.465 1.014 1.00 0.00 H new ATOM 0 HA LEU A 45 7.065 6.997 3.564 1.00 0.00 H new ATOM 0 HB2 LEU A 45 7.567 5.303 1.754 1.00 0.00 H new ATOM 0 HB3 LEU A 45 9.040 6.182 1.392 1.00 0.00 H new ATOM 0 HG LEU A 45 9.558 6.050 3.955 1.00 0.00 H new ATOM 0 HD11 LEU A 45 8.500 4.164 5.137 1.00 0.00 H new ATOM 0 HD12 LEU A 45 7.298 5.387 4.661 1.00 0.00 H new ATOM 0 HD13 LEU A 45 7.446 3.876 3.732 1.00 0.00 H new ATOM 0 HD21 LEU A 45 10.483 3.757 3.730 1.00 0.00 H new ATOM 0 HD22 LEU A 45 9.443 3.482 2.312 1.00 0.00 H new ATOM 0 HD23 LEU A 45 10.737 4.702 2.244 1.00 0.00 H new ATOM 725 N VAL A 46 8.698 9.101 3.965 1.00 0.00 N ATOM 726 CA VAL A 46 9.690 10.150 4.312 1.00 0.00 C ATOM 727 C VAL A 46 10.502 9.754 5.575 1.00 0.00 C ATOM 728 O VAL A 46 9.932 9.913 6.623 1.00 0.00 O ATOM 729 CB VAL A 46 8.858 11.453 4.531 1.00 0.00 C ATOM 730 CG1 VAL A 46 9.400 12.368 5.618 1.00 0.00 C ATOM 731 CG2 VAL A 46 8.902 12.241 3.216 1.00 0.00 C ATOM 0 H VAL A 46 7.873 9.123 4.565 1.00 0.00 H new ATOM 0 HA VAL A 46 10.431 10.289 3.525 1.00 0.00 H new ATOM 0 HB VAL A 46 7.858 11.147 4.839 1.00 0.00 H new ATOM 0 HG11 VAL A 46 8.763 13.248 5.704 1.00 0.00 H new ATOM 0 HG12 VAL A 46 9.413 11.835 6.569 1.00 0.00 H new ATOM 0 HG13 VAL A 46 10.413 12.677 5.362 1.00 0.00 H new ATOM 0 HG21 VAL A 46 8.331 13.163 3.325 1.00 0.00 H new ATOM 0 HG22 VAL A 46 9.936 12.482 2.971 1.00 0.00 H new ATOM 0 HG23 VAL A 46 8.470 11.639 2.416 1.00 0.00 H new ATOM 741 N PRO A 47 11.699 9.292 5.415 1.00 0.00 N ATOM 742 CA PRO A 47 12.655 8.869 6.439 1.00 0.00 C ATOM 743 C PRO A 47 12.160 8.988 7.867 1.00 0.00 C ATOM 744 O PRO A 47 12.220 7.985 8.571 1.00 0.00 O ATOM 745 CB PRO A 47 13.810 9.846 6.112 1.00 0.00 C ATOM 746 CG PRO A 47 13.676 9.929 4.569 1.00 0.00 C ATOM 747 CD PRO A 47 12.447 9.060 4.172 1.00 0.00 C ATOM 0 HA PRO A 47 12.903 7.808 6.406 1.00 0.00 H new ATOM 0 HB2 PRO A 47 13.682 10.816 6.593 1.00 0.00 H new ATOM 0 HB3 PRO A 47 14.781 9.461 6.424 1.00 0.00 H new ATOM 0 HG2 PRO A 47 13.538 10.962 4.249 1.00 0.00 H new ATOM 0 HG3 PRO A 47 14.580 9.563 4.083 1.00 0.00 H new ATOM 0 HD2 PRO A 47 11.931 9.417 3.280 1.00 0.00 H new ATOM 0 HD3 PRO A 47 12.692 8.012 4.000 1.00 0.00 H new ATOM 755 N GLY A 48 11.683 10.118 8.343 1.00 0.00 N ATOM 756 CA GLY A 48 11.203 10.059 9.770 1.00 0.00 C ATOM 757 C GLY A 48 9.997 9.089 9.699 1.00 0.00 C ATOM 758 O GLY A 48 9.888 8.128 10.423 1.00 0.00 O ATOM 0 H GLY A 48 11.606 11.011 7.856 1.00 0.00 H new ATOM 0 HA2 GLY A 48 11.978 9.689 10.441 1.00 0.00 H new ATOM 0 HA3 GLY A 48 10.908 11.042 10.136 1.00 0.00 H new ATOM 762 N ARG A 49 9.149 9.401 8.758 1.00 0.00 N ATOM 763 CA ARG A 49 7.953 8.603 8.410 1.00 0.00 C ATOM 764 C ARG A 49 8.380 7.499 7.404 1.00 0.00 C ATOM 765 O ARG A 49 7.859 7.389 6.330 1.00 0.00 O ATOM 766 CB ARG A 49 6.946 9.493 7.678 1.00 0.00 C ATOM 767 CG ARG A 49 6.293 10.389 8.722 1.00 0.00 C ATOM 768 CD ARG A 49 5.627 9.435 9.741 1.00 0.00 C ATOM 769 NE ARG A 49 6.292 9.599 11.060 1.00 0.00 N ATOM 770 CZ ARG A 49 5.661 10.121 12.060 1.00 0.00 C ATOM 771 NH1 ARG A 49 5.107 11.288 11.923 1.00 0.00 N ATOM 772 NH2 ARG A 49 5.614 9.452 13.171 1.00 0.00 N ATOM 0 H ARG A 49 9.253 10.237 8.182 1.00 0.00 H new ATOM 0 HA ARG A 49 7.519 8.185 9.318 1.00 0.00 H new ATOM 0 HB2 ARG A 49 7.445 10.091 6.916 1.00 0.00 H new ATOM 0 HB3 ARG A 49 6.197 8.887 7.168 1.00 0.00 H new ATOM 0 HG2 ARG A 49 7.032 11.026 9.208 1.00 0.00 H new ATOM 0 HG3 ARG A 49 5.556 11.049 8.265 1.00 0.00 H new ATOM 0 HD2 ARG A 49 4.563 9.657 9.825 1.00 0.00 H new ATOM 0 HD3 ARG A 49 5.712 8.403 9.402 1.00 0.00 H new ATOM 0 HE ARG A 49 7.259 9.296 11.178 1.00 0.00 H new ATOM 0 HH11 ARG A 49 5.173 11.782 11.033 1.00 0.00 H new ATOM 0 HH12 ARG A 49 4.606 11.710 12.705 1.00 0.00 H new ATOM 0 HH21 ARG A 49 6.068 8.541 13.237 1.00 0.00 H new ATOM 0 HH22 ARG A 49 5.124 9.837 13.978 1.00 0.00 H new ATOM 786 N HIS A 50 9.321 6.686 7.818 1.00 0.00 N ATOM 787 CA HIS A 50 9.806 5.502 6.978 1.00 0.00 C ATOM 788 C HIS A 50 9.033 4.276 7.549 1.00 0.00 C ATOM 789 O HIS A 50 9.407 3.141 7.424 1.00 0.00 O ATOM 790 CB HIS A 50 11.274 5.144 7.173 1.00 0.00 C ATOM 791 CG HIS A 50 11.601 5.253 8.656 1.00 0.00 C ATOM 792 ND1 HIS A 50 12.886 5.595 9.045 1.00 0.00 N ATOM 793 CD2 HIS A 50 10.887 5.088 9.813 1.00 0.00 C ATOM 794 CE1 HIS A 50 12.912 5.629 10.402 1.00 0.00 C ATOM 795 NE2 HIS A 50 11.722 5.327 10.894 1.00 0.00 N ATOM 0 H HIS A 50 9.793 6.780 8.717 1.00 0.00 H new ATOM 0 HA HIS A 50 9.655 5.752 5.928 1.00 0.00 H new ATOM 0 HB2 HIS A 50 11.469 4.133 6.815 1.00 0.00 H new ATOM 0 HB3 HIS A 50 11.908 5.815 6.594 1.00 0.00 H new ATOM 0 HD1 HIS A 50 13.672 5.787 8.423 1.00 0.00 H new ATOM 0 HD2 HIS A 50 9.844 4.816 9.874 1.00 0.00 H new ATOM 0 HE1 HIS A 50 13.782 5.869 10.996 1.00 0.00 H new ATOM 804 N ASP A 51 7.931 4.594 8.203 1.00 0.00 N ATOM 805 CA ASP A 51 7.057 3.601 8.887 1.00 0.00 C ATOM 806 C ASP A 51 5.599 3.727 8.480 1.00 0.00 C ATOM 807 O ASP A 51 4.785 2.899 8.781 1.00 0.00 O ATOM 808 CB ASP A 51 7.138 3.774 10.419 1.00 0.00 C ATOM 809 CG ASP A 51 7.156 5.254 10.749 1.00 0.00 C ATOM 810 OD1 ASP A 51 6.630 6.029 9.965 1.00 0.00 O ATOM 811 OD2 ASP A 51 7.711 5.560 11.796 1.00 0.00 O ATOM 0 H ASP A 51 7.596 5.554 8.287 1.00 0.00 H new ATOM 0 HA ASP A 51 7.422 2.619 8.585 1.00 0.00 H new ATOM 0 HB2 ASP A 51 6.286 3.292 10.898 1.00 0.00 H new ATOM 0 HB3 ASP A 51 8.036 3.291 10.805 1.00 0.00 H new ATOM 816 N ILE A 52 5.220 4.764 7.755 1.00 0.00 N ATOM 817 CA ILE A 52 3.841 4.982 7.260 1.00 0.00 C ATOM 818 C ILE A 52 4.026 5.235 5.744 1.00 0.00 C ATOM 819 O ILE A 52 4.621 6.195 5.321 1.00 0.00 O ATOM 820 CB ILE A 52 3.095 6.088 7.973 1.00 0.00 C ATOM 821 CG1 ILE A 52 3.779 7.456 7.856 1.00 0.00 C ATOM 822 CG2 ILE A 52 2.917 5.678 9.448 1.00 0.00 C ATOM 823 CD1 ILE A 52 3.046 8.331 6.843 1.00 0.00 C ATOM 0 H ILE A 52 5.865 5.504 7.479 1.00 0.00 H new ATOM 0 HA ILE A 52 3.200 4.123 7.460 1.00 0.00 H new ATOM 0 HB ILE A 52 2.125 6.212 7.491 1.00 0.00 H new ATOM 0 HG12 ILE A 52 3.792 7.948 8.829 1.00 0.00 H new ATOM 0 HG13 ILE A 52 4.817 7.326 7.550 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.381 6.463 9.982 1.00 0.00 H new ATOM 0 HG22 ILE A 52 2.349 4.749 9.501 1.00 0.00 H new ATOM 0 HG23 ILE A 52 3.895 5.532 9.906 1.00 0.00 H new ATOM 0 HD11 ILE A 52 3.543 9.298 6.771 1.00 0.00 H new ATOM 0 HD12 ILE A 52 3.056 7.845 5.868 1.00 0.00 H new ATOM 0 HD13 ILE A 52 2.015 8.476 7.166 1.00 0.00 H new ATOM 835 N ALA A 53 3.523 4.297 4.956 1.00 0.00 N ATOM 836 CA ALA A 53 3.701 4.318 3.503 1.00 0.00 C ATOM 837 C ALA A 53 2.342 4.533 2.798 1.00 0.00 C ATOM 838 O ALA A 53 1.453 3.739 3.004 1.00 0.00 O ATOM 839 CB ALA A 53 4.237 2.990 2.957 1.00 0.00 C ATOM 0 H ALA A 53 2.982 3.502 5.298 1.00 0.00 H new ATOM 0 HA ALA A 53 4.408 5.124 3.307 1.00 0.00 H new ATOM 0 HB1 ALA A 53 4.350 3.061 1.875 1.00 0.00 H new ATOM 0 HB2 ALA A 53 5.205 2.775 3.410 1.00 0.00 H new ATOM 0 HB3 ALA A 53 3.538 2.189 3.197 1.00 0.00 H new ATOM 845 N PHE A 54 2.342 5.598 2.065 1.00 0.00 N ATOM 846 CA PHE A 54 1.184 6.061 1.217 1.00 0.00 C ATOM 847 C PHE A 54 1.545 5.970 -0.288 1.00 0.00 C ATOM 848 O PHE A 54 2.316 6.722 -0.832 1.00 0.00 O ATOM 849 CB PHE A 54 0.843 7.510 1.525 1.00 0.00 C ATOM 850 CG PHE A 54 -0.589 7.707 2.006 1.00 0.00 C ATOM 851 CD1 PHE A 54 -1.619 7.426 1.117 1.00 0.00 C ATOM 852 CD2 PHE A 54 -0.908 8.150 3.290 1.00 0.00 C ATOM 853 CE1 PHE A 54 -2.974 7.578 1.471 1.00 0.00 C ATOM 854 CE2 PHE A 54 -2.258 8.302 3.643 1.00 0.00 C ATOM 855 CZ PHE A 54 -3.291 8.024 2.759 1.00 0.00 C ATOM 0 H PHE A 54 3.149 6.219 2.007 1.00 0.00 H new ATOM 0 HA PHE A 54 0.334 5.417 1.442 1.00 0.00 H new ATOM 0 HB2 PHE A 54 1.528 7.883 2.286 1.00 0.00 H new ATOM 0 HB3 PHE A 54 1.003 8.111 0.630 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -1.373 7.080 0.124 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -0.127 8.373 4.002 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -3.755 7.354 0.760 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -2.501 8.647 4.637 1.00 0.00 H new ATOM 0 HZ PHE A 54 -4.321 8.150 3.060 1.00 0.00 H new ATOM 865 N VAL A 55 0.942 4.942 -0.892 1.00 0.00 N ATOM 866 CA VAL A 55 1.176 4.544 -2.284 1.00 0.00 C ATOM 867 C VAL A 55 -0.046 4.680 -3.189 1.00 0.00 C ATOM 868 O VAL A 55 -1.042 3.993 -3.215 1.00 0.00 O ATOM 869 CB VAL A 55 1.580 3.043 -2.288 1.00 0.00 C ATOM 870 CG1 VAL A 55 1.819 2.546 -3.694 1.00 0.00 C ATOM 871 CG2 VAL A 55 2.847 2.930 -1.410 1.00 0.00 C ATOM 0 H VAL A 55 0.262 4.349 -0.416 1.00 0.00 H new ATOM 0 HA VAL A 55 1.946 5.210 -2.673 1.00 0.00 H new ATOM 0 HB VAL A 55 0.782 2.417 -1.888 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.100 1.493 -3.665 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.908 2.662 -4.281 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.622 3.123 -4.152 1.00 0.00 H new ATOM 0 HG21 VAL A 55 3.176 1.891 -1.378 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.639 3.548 -1.833 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.621 3.271 -0.400 1.00 0.00 H new ATOM 881 N GLU A 56 0.104 5.670 -4.023 1.00 0.00 N ATOM 882 CA GLU A 56 -0.858 6.128 -5.055 1.00 0.00 C ATOM 883 C GLU A 56 -0.452 5.539 -6.430 1.00 0.00 C ATOM 884 O GLU A 56 0.534 5.878 -7.017 1.00 0.00 O ATOM 885 CB GLU A 56 -0.825 7.653 -5.228 1.00 0.00 C ATOM 886 CG GLU A 56 -2.037 8.151 -6.037 1.00 0.00 C ATOM 887 CD GLU A 56 -1.960 9.660 -6.243 1.00 0.00 C ATOM 888 OE1 GLU A 56 -1.476 10.384 -5.383 1.00 0.00 O ATOM 889 OE2 GLU A 56 -2.404 10.094 -7.283 1.00 0.00 O ATOM 0 H GLU A 56 0.953 6.235 -4.021 1.00 0.00 H new ATOM 0 HA GLU A 56 -1.848 5.805 -4.732 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -0.817 8.132 -4.249 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.096 7.944 -5.733 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.068 7.648 -7.003 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.959 7.896 -5.515 1.00 0.00 H new ATOM 896 N PHE A 57 -1.232 4.602 -6.836 1.00 0.00 N ATOM 897 CA PHE A 57 -1.032 3.779 -8.067 1.00 0.00 C ATOM 898 C PHE A 57 -2.126 4.086 -9.116 1.00 0.00 C ATOM 899 O PHE A 57 -3.235 3.685 -8.904 1.00 0.00 O ATOM 900 CB PHE A 57 -1.221 2.313 -7.662 1.00 0.00 C ATOM 901 CG PHE A 57 0.163 1.704 -7.430 1.00 0.00 C ATOM 902 CD1 PHE A 57 1.020 1.785 -8.536 1.00 0.00 C ATOM 903 CD2 PHE A 57 0.558 1.115 -6.228 1.00 0.00 C ATOM 904 CE1 PHE A 57 2.314 1.234 -8.376 1.00 0.00 C ATOM 905 CE2 PHE A 57 1.834 0.581 -6.101 1.00 0.00 C ATOM 906 CZ PHE A 57 2.725 0.639 -7.185 1.00 0.00 C ATOM 0 H PHE A 57 -2.077 4.344 -6.326 1.00 0.00 H new ATOM 0 HA PHE A 57 -0.048 3.990 -8.485 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -1.825 2.242 -6.757 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -1.751 1.767 -8.442 1.00 0.00 H new ATOM 0 HD1 PHE A 57 0.709 2.244 -9.463 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -0.129 1.074 -5.396 1.00 0.00 H new ATOM 0 HE1 PHE A 57 3.006 1.276 -9.204 1.00 0.00 H new ATOM 0 HE2 PHE A 57 2.140 0.123 -5.172 1.00 0.00 H new ATOM 0 HZ PHE A 57 3.719 0.226 -7.096 1.00 0.00 H new ATOM 916 N ASP A 58 -1.697 4.793 -10.093 1.00 0.00 N ATOM 917 CA ASP A 58 -2.541 5.277 -11.233 1.00 0.00 C ATOM 918 C ASP A 58 -3.826 4.498 -11.382 1.00 0.00 C ATOM 919 O ASP A 58 -4.876 5.082 -11.563 1.00 0.00 O ATOM 920 CB ASP A 58 -1.726 5.120 -12.524 1.00 0.00 C ATOM 921 CG ASP A 58 -2.233 6.202 -13.493 1.00 0.00 C ATOM 922 OD1 ASP A 58 -3.438 6.324 -13.559 1.00 0.00 O ATOM 923 OD2 ASP A 58 -1.402 6.840 -14.111 1.00 0.00 O ATOM 0 H ASP A 58 -0.723 5.086 -10.168 1.00 0.00 H new ATOM 0 HA ASP A 58 -2.809 6.315 -11.035 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -0.661 5.243 -12.328 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -1.859 4.125 -12.949 1.00 0.00 H new ATOM 928 N ASN A 59 -3.749 3.208 -11.310 1.00 0.00 N ATOM 929 CA ASN A 59 -4.936 2.328 -11.439 1.00 0.00 C ATOM 930 C ASN A 59 -4.782 1.064 -10.580 1.00 0.00 C ATOM 931 O ASN A 59 -3.729 0.509 -10.409 1.00 0.00 O ATOM 932 CB ASN A 59 -5.117 1.995 -12.924 1.00 0.00 C ATOM 933 CG ASN A 59 -5.131 0.493 -13.117 1.00 0.00 C ATOM 934 OD1 ASN A 59 -4.145 -0.225 -13.054 1.00 0.00 O ATOM 935 ND2 ASN A 59 -6.284 -0.095 -13.367 1.00 0.00 N ATOM 0 H ASN A 59 -2.875 2.704 -11.161 1.00 0.00 H new ATOM 0 HA ASN A 59 -5.827 2.837 -11.071 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -6.048 2.426 -13.292 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -4.309 2.438 -13.506 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -6.323 -1.106 -13.498 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -7.137 0.461 -13.430 1.00 0.00 H new ATOM 942 N GLU A 60 -5.862 0.621 -10.042 1.00 0.00 N ATOM 943 CA GLU A 60 -5.972 -0.591 -9.161 1.00 0.00 C ATOM 944 C GLU A 60 -5.394 -1.882 -9.749 1.00 0.00 C ATOM 945 O GLU A 60 -5.091 -2.808 -9.053 1.00 0.00 O ATOM 946 CB GLU A 60 -7.433 -0.770 -8.705 1.00 0.00 C ATOM 947 CG GLU A 60 -8.395 -0.685 -9.890 1.00 0.00 C ATOM 948 CD GLU A 60 -9.084 -2.020 -10.137 1.00 0.00 C ATOM 949 OE1 GLU A 60 -10.100 -2.246 -9.514 1.00 0.00 O ATOM 950 OE2 GLU A 60 -8.614 -2.822 -10.938 1.00 0.00 O ATOM 0 H GLU A 60 -6.761 1.083 -10.182 1.00 0.00 H new ATOM 0 HA GLU A 60 -5.335 -0.396 -8.298 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -7.547 -1.734 -8.209 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -7.685 -0.003 -7.973 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -9.144 0.084 -9.699 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -7.849 -0.384 -10.784 1.00 0.00 H new ATOM 957 N VAL A 61 -5.203 -2.022 -11.044 1.00 0.00 N ATOM 958 CA VAL A 61 -4.607 -3.279 -11.618 1.00 0.00 C ATOM 959 C VAL A 61 -3.107 -3.228 -11.205 1.00 0.00 C ATOM 960 O VAL A 61 -2.473 -4.162 -10.770 1.00 0.00 O ATOM 961 CB VAL A 61 -4.770 -3.337 -13.130 1.00 0.00 C ATOM 962 CG1 VAL A 61 -4.051 -4.615 -13.620 1.00 0.00 C ATOM 963 CG2 VAL A 61 -6.252 -3.468 -13.476 1.00 0.00 C ATOM 0 H VAL A 61 -5.437 -1.310 -11.736 1.00 0.00 H new ATOM 0 HA VAL A 61 -5.104 -4.174 -11.244 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.361 -2.439 -13.592 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.145 -4.693 -14.703 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.996 -4.565 -13.350 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.504 -5.489 -13.152 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -6.371 -3.510 -14.559 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -6.650 -4.380 -13.032 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -6.794 -2.607 -13.084 1.00 0.00 H new ATOM 973 N GLN A 62 -2.595 -2.025 -11.380 1.00 0.00 N ATOM 974 CA GLN A 62 -1.181 -1.775 -11.010 1.00 0.00 C ATOM 975 C GLN A 62 -1.097 -1.566 -9.501 1.00 0.00 C ATOM 976 O GLN A 62 -0.084 -1.934 -8.918 1.00 0.00 O ATOM 977 CB GLN A 62 -0.531 -0.544 -11.677 1.00 0.00 C ATOM 978 CG GLN A 62 -0.947 -0.354 -13.149 1.00 0.00 C ATOM 979 CD GLN A 62 -1.520 1.054 -13.375 1.00 0.00 C ATOM 980 OE1 GLN A 62 -1.718 1.852 -12.485 1.00 0.00 O ATOM 981 NE2 GLN A 62 -1.827 1.448 -14.584 1.00 0.00 N ATOM 0 H GLN A 62 -3.098 -1.223 -11.759 1.00 0.00 H new ATOM 0 HA GLN A 62 -0.635 -2.651 -11.361 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -0.799 0.349 -11.113 1.00 0.00 H new ATOM 0 HB3 GLN A 62 0.553 -0.641 -11.623 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -0.086 -0.510 -13.798 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -1.691 -1.103 -13.421 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -1.684 0.822 -15.376 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -2.210 2.381 -14.734 1.00 0.00 H new ATOM 990 N ALA A 63 -2.059 -1.013 -8.861 1.00 0.00 N ATOM 991 CA ALA A 63 -1.945 -0.800 -7.385 1.00 0.00 C ATOM 992 C ALA A 63 -2.093 -2.203 -6.770 1.00 0.00 C ATOM 993 O ALA A 63 -1.439 -2.491 -5.806 1.00 0.00 O ATOM 994 CB ALA A 63 -3.073 0.083 -6.875 1.00 0.00 C ATOM 0 H ALA A 63 -2.931 -0.691 -9.282 1.00 0.00 H new ATOM 0 HA ALA A 63 -1.005 -0.313 -7.126 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -2.968 0.223 -5.799 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -3.030 1.052 -7.373 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -4.031 -0.392 -7.087 1.00 0.00 H new ATOM 1000 N GLY A 64 -2.952 -2.949 -7.395 1.00 0.00 N ATOM 1001 CA GLY A 64 -3.297 -4.352 -7.017 1.00 0.00 C ATOM 1002 C GLY A 64 -2.104 -5.236 -7.320 1.00 0.00 C ATOM 1003 O GLY A 64 -1.801 -6.165 -6.581 1.00 0.00 O ATOM 0 H GLY A 64 -3.467 -2.620 -8.212 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.551 -4.408 -5.959 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -4.171 -4.691 -7.573 1.00 0.00 H new ATOM 1007 N ALA A 65 -1.430 -4.956 -8.392 1.00 0.00 N ATOM 1008 CA ALA A 65 -0.240 -5.771 -8.773 1.00 0.00 C ATOM 1009 C ALA A 65 0.845 -5.451 -7.758 1.00 0.00 C ATOM 1010 O ALA A 65 1.341 -6.322 -7.055 1.00 0.00 O ATOM 1011 CB ALA A 65 0.174 -5.477 -10.216 1.00 0.00 C ATOM 0 H ALA A 65 -1.650 -4.191 -9.030 1.00 0.00 H new ATOM 0 HA ALA A 65 -0.451 -6.840 -8.750 1.00 0.00 H new ATOM 0 HB1 ALA A 65 1.044 -6.081 -10.475 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -0.650 -5.720 -10.887 1.00 0.00 H new ATOM 0 HB3 ALA A 65 0.423 -4.421 -10.315 1.00 0.00 H new ATOM 1017 N ALA A 66 1.267 -4.216 -7.609 1.00 0.00 N ATOM 1018 CA ALA A 66 2.323 -3.802 -6.634 1.00 0.00 C ATOM 1019 C ALA A 66 1.902 -4.179 -5.235 1.00 0.00 C ATOM 1020 O ALA A 66 2.624 -4.712 -4.407 1.00 0.00 O ATOM 1021 CB ALA A 66 2.454 -2.261 -6.651 1.00 0.00 C ATOM 0 H ALA A 66 0.898 -3.439 -8.157 1.00 0.00 H new ATOM 0 HA ALA A 66 3.258 -4.290 -6.909 1.00 0.00 H new ATOM 0 HB1 ALA A 66 3.223 -1.953 -5.942 1.00 0.00 H new ATOM 0 HB2 ALA A 66 2.731 -1.930 -7.652 1.00 0.00 H new ATOM 0 HB3 ALA A 66 1.501 -1.812 -6.371 1.00 0.00 H new ATOM 1027 N ARG A 67 0.665 -3.932 -4.896 1.00 0.00 N ATOM 1028 CA ARG A 67 0.093 -4.246 -3.584 1.00 0.00 C ATOM 1029 C ARG A 67 0.200 -5.764 -3.379 1.00 0.00 C ATOM 1030 O ARG A 67 0.831 -6.172 -2.451 1.00 0.00 O ATOM 1031 CB ARG A 67 -1.396 -3.916 -3.453 1.00 0.00 C ATOM 1032 CG ARG A 67 -1.874 -4.384 -2.067 1.00 0.00 C ATOM 1033 CD ARG A 67 -2.557 -5.735 -2.228 1.00 0.00 C ATOM 1034 NE ARG A 67 -3.217 -6.134 -0.943 1.00 0.00 N ATOM 1035 CZ ARG A 67 -3.542 -5.229 -0.049 1.00 0.00 C ATOM 1036 NH1 ARG A 67 -4.623 -4.557 -0.260 1.00 0.00 N ATOM 1037 NH2 ARG A 67 -2.766 -5.061 0.982 1.00 0.00 N ATOM 0 H ARG A 67 -0.003 -3.495 -5.531 1.00 0.00 H new ATOM 0 HA ARG A 67 0.643 -3.647 -2.858 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -1.559 -2.845 -3.569 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -1.966 -4.412 -4.239 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -1.030 -4.464 -1.382 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -2.565 -3.658 -1.638 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -3.298 -5.684 -3.026 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -1.826 -6.489 -2.520 1.00 0.00 H new ATOM 0 HE ARG A 67 -3.416 -7.118 -0.761 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -5.183 -4.740 -1.093 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -4.918 -3.843 0.406 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -1.924 -5.627 1.084 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -3.000 -4.363 1.688 1.00 0.00 H new ATOM 1051 N ASP A 68 -0.379 -6.569 -4.214 1.00 0.00 N ATOM 1052 CA ASP A 68 -0.317 -8.061 -4.103 1.00 0.00 C ATOM 1053 C ASP A 68 1.145 -8.569 -4.219 1.00 0.00 C ATOM 1054 O ASP A 68 1.519 -9.624 -3.773 1.00 0.00 O ATOM 1055 CB ASP A 68 -1.160 -8.760 -5.166 1.00 0.00 C ATOM 1056 CG ASP A 68 -1.410 -10.216 -4.738 1.00 0.00 C ATOM 1057 OD1 ASP A 68 -1.792 -10.402 -3.603 1.00 0.00 O ATOM 1058 OD2 ASP A 68 -1.226 -11.129 -5.508 1.00 0.00 O ATOM 0 H ASP A 68 -0.923 -6.243 -5.013 1.00 0.00 H new ATOM 0 HA ASP A 68 -0.721 -8.306 -3.121 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -2.108 -8.239 -5.296 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -0.648 -8.734 -6.128 1.00 0.00 H new ATOM 1063 N ALA A 69 2.019 -7.801 -4.835 1.00 0.00 N ATOM 1064 CA ALA A 69 3.441 -8.268 -4.956 1.00 0.00 C ATOM 1065 C ALA A 69 4.117 -8.028 -3.589 1.00 0.00 C ATOM 1066 O ALA A 69 4.919 -8.829 -3.130 1.00 0.00 O ATOM 1067 CB ALA A 69 4.219 -7.504 -6.005 1.00 0.00 C ATOM 0 H ALA A 69 1.816 -6.892 -5.250 1.00 0.00 H new ATOM 0 HA ALA A 69 3.436 -9.317 -5.251 1.00 0.00 H new ATOM 0 HB1 ALA A 69 5.240 -7.884 -6.049 1.00 0.00 H new ATOM 0 HB2 ALA A 69 3.742 -7.632 -6.977 1.00 0.00 H new ATOM 0 HB3 ALA A 69 4.236 -6.445 -5.746 1.00 0.00 H new ATOM 1073 N LEU A 70 3.779 -6.923 -2.960 1.00 0.00 N ATOM 1074 CA LEU A 70 4.367 -6.572 -1.618 1.00 0.00 C ATOM 1075 C LEU A 70 3.165 -6.289 -0.684 1.00 0.00 C ATOM 1076 O LEU A 70 3.082 -5.292 0.012 1.00 0.00 O ATOM 1077 CB LEU A 70 5.322 -5.382 -1.693 1.00 0.00 C ATOM 1078 CG LEU A 70 4.632 -4.161 -2.315 1.00 0.00 C ATOM 1079 CD1 LEU A 70 4.884 -2.900 -1.497 1.00 0.00 C ATOM 1080 CD2 LEU A 70 5.183 -3.914 -3.720 1.00 0.00 C ATOM 0 H LEU A 70 3.113 -6.240 -3.322 1.00 0.00 H new ATOM 0 HA LEU A 70 4.977 -7.392 -1.239 1.00 0.00 H new ATOM 0 HB2 LEU A 70 5.678 -5.133 -0.693 1.00 0.00 H new ATOM 0 HB3 LEU A 70 6.197 -5.650 -2.285 1.00 0.00 H new ATOM 0 HG LEU A 70 3.563 -4.373 -2.341 1.00 0.00 H new ATOM 0 HD11 LEU A 70 4.381 -2.055 -1.967 1.00 0.00 H new ATOM 0 HD12 LEU A 70 4.497 -3.038 -0.487 1.00 0.00 H new ATOM 0 HD13 LEU A 70 5.955 -2.704 -1.451 1.00 0.00 H new ATOM 0 HD21 LEU A 70 4.690 -3.046 -4.157 1.00 0.00 H new ATOM 0 HD22 LEU A 70 6.256 -3.731 -3.663 1.00 0.00 H new ATOM 0 HD23 LEU A 70 4.997 -4.789 -4.343 1.00 0.00 H new ATOM 1092 N GLN A 71 2.211 -7.168 -0.659 1.00 0.00 N ATOM 1093 CA GLN A 71 0.982 -7.005 0.201 1.00 0.00 C ATOM 1094 C GLN A 71 1.324 -7.478 1.599 1.00 0.00 C ATOM 1095 O GLN A 71 0.599 -7.416 2.559 1.00 0.00 O ATOM 1096 CB GLN A 71 -0.149 -7.807 -0.435 1.00 0.00 C ATOM 1097 CG GLN A 71 -0.695 -8.868 0.501 1.00 0.00 C ATOM 1098 CD GLN A 71 -1.807 -9.626 -0.241 1.00 0.00 C ATOM 1099 OE1 GLN A 71 -2.979 -9.372 -0.057 1.00 0.00 O ATOM 1100 NE2 GLN A 71 -1.466 -10.552 -1.078 1.00 0.00 N ATOM 0 H GLN A 71 2.220 -8.025 -1.212 1.00 0.00 H new ATOM 0 HA GLN A 71 0.654 -5.968 0.271 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -0.954 -7.131 -0.724 1.00 0.00 H new ATOM 0 HB3 GLN A 71 0.212 -8.281 -1.348 1.00 0.00 H new ATOM 0 HG2 GLN A 71 0.097 -9.553 0.804 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -1.086 -8.410 1.410 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -0.480 -10.763 -1.231 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -2.183 -11.070 -1.585 1.00 0.00 H new ATOM 1109 N GLY A 72 2.524 -7.993 1.739 1.00 0.00 N ATOM 1110 CA GLY A 72 3.007 -8.503 3.058 1.00 0.00 C ATOM 1111 C GLY A 72 4.540 -8.628 2.923 1.00 0.00 C ATOM 1112 O GLY A 72 5.096 -9.639 3.259 1.00 0.00 O ATOM 0 H GLY A 72 3.199 -8.082 0.979 1.00 0.00 H new ATOM 0 HA2 GLY A 72 2.740 -7.819 3.864 1.00 0.00 H new ATOM 0 HA3 GLY A 72 2.555 -9.466 3.294 1.00 0.00 H new ATOM 1116 N PHE A 73 5.108 -7.572 2.431 1.00 0.00 N ATOM 1117 CA PHE A 73 6.575 -7.447 2.199 1.00 0.00 C ATOM 1118 C PHE A 73 7.269 -7.895 3.495 1.00 0.00 C ATOM 1119 O PHE A 73 7.444 -7.065 4.352 1.00 0.00 O ATOM 1120 CB PHE A 73 6.951 -6.009 1.819 1.00 0.00 C ATOM 1121 CG PHE A 73 8.351 -5.953 1.236 1.00 0.00 C ATOM 1122 CD1 PHE A 73 8.588 -6.667 0.051 1.00 0.00 C ATOM 1123 CD2 PHE A 73 9.360 -5.222 1.853 1.00 0.00 C ATOM 1124 CE1 PHE A 73 9.866 -6.628 -0.497 1.00 0.00 C ATOM 1125 CE2 PHE A 73 10.642 -5.187 1.295 1.00 0.00 C ATOM 1126 CZ PHE A 73 10.892 -5.900 0.111 1.00 0.00 C ATOM 0 H PHE A 73 4.585 -6.738 2.163 1.00 0.00 H new ATOM 0 HA PHE A 73 6.894 -8.071 1.365 1.00 0.00 H new ATOM 0 HB2 PHE A 73 6.235 -5.621 1.095 1.00 0.00 H new ATOM 0 HB3 PHE A 73 6.893 -5.369 2.699 1.00 0.00 H new ATOM 0 HD1 PHE A 73 7.799 -7.232 -0.423 1.00 0.00 H new ATOM 0 HD2 PHE A 73 9.154 -4.680 2.764 1.00 0.00 H new ATOM 0 HE1 PHE A 73 10.069 -7.170 -1.409 1.00 0.00 H new ATOM 0 HE2 PHE A 73 11.429 -4.619 1.768 1.00 0.00 H new ATOM 0 HZ PHE A 73 11.878 -5.886 -0.330 1.00 0.00 H new ATOM 1136 N LYS A 74 7.607 -9.141 3.551 1.00 0.00 N ATOM 1137 CA LYS A 74 8.287 -9.714 4.741 1.00 0.00 C ATOM 1138 C LYS A 74 9.634 -8.968 4.865 1.00 0.00 C ATOM 1139 O LYS A 74 10.666 -9.390 4.408 1.00 0.00 O ATOM 1140 CB LYS A 74 8.610 -11.188 4.593 1.00 0.00 C ATOM 1141 CG LYS A 74 8.956 -11.553 3.136 1.00 0.00 C ATOM 1142 CD LYS A 74 9.933 -12.728 3.122 1.00 0.00 C ATOM 1143 CE LYS A 74 9.208 -14.049 3.400 1.00 0.00 C ATOM 1144 NZ LYS A 74 8.769 -14.725 2.147 1.00 0.00 N ATOM 0 H LYS A 74 7.437 -9.811 2.801 1.00 0.00 H new ATOM 0 HA LYS A 74 7.627 -9.605 5.602 1.00 0.00 H new ATOM 0 HB2 LYS A 74 9.448 -11.444 5.241 1.00 0.00 H new ATOM 0 HB3 LYS A 74 7.758 -11.782 4.924 1.00 0.00 H new ATOM 0 HG2 LYS A 74 8.049 -11.814 2.590 1.00 0.00 H new ATOM 0 HG3 LYS A 74 9.397 -10.694 2.630 1.00 0.00 H new ATOM 0 HD2 LYS A 74 10.431 -12.779 2.154 1.00 0.00 H new ATOM 0 HD3 LYS A 74 10.708 -12.570 3.872 1.00 0.00 H new ATOM 0 HE2 LYS A 74 9.868 -14.714 3.957 1.00 0.00 H new ATOM 0 HE3 LYS A 74 8.340 -13.859 4.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 8.284 -15.614 2.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 8.118 -14.103 1.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 9.599 -14.931 1.555 1.00 0.00 H new ATOM 1158 N ILE A 75 9.550 -7.838 5.510 1.00 0.00 N ATOM 1159 CA ILE A 75 10.782 -7.000 5.702 1.00 0.00 C ATOM 1160 C ILE A 75 11.801 -7.788 6.537 1.00 0.00 C ATOM 1161 O ILE A 75 12.977 -7.614 6.353 1.00 0.00 O ATOM 1162 CB ILE A 75 10.334 -5.713 6.376 1.00 0.00 C ATOM 1163 CG1 ILE A 75 9.574 -4.888 5.310 1.00 0.00 C ATOM 1164 CG2 ILE A 75 11.564 -4.903 6.745 1.00 0.00 C ATOM 1165 CD1 ILE A 75 8.478 -4.046 5.968 1.00 0.00 C ATOM 0 H ILE A 75 8.694 -7.455 5.911 1.00 0.00 H new ATOM 0 HA ILE A 75 11.275 -6.754 4.762 1.00 0.00 H new ATOM 0 HB ILE A 75 9.727 -5.931 7.255 1.00 0.00 H new ATOM 0 HG12 ILE A 75 10.270 -4.239 4.779 1.00 0.00 H new ATOM 0 HG13 ILE A 75 9.133 -5.556 4.570 1.00 0.00 H new ATOM 0 HG21 ILE A 75 11.257 -3.976 7.230 1.00 0.00 H new ATOM 0 HG22 ILE A 75 12.188 -5.480 7.427 1.00 0.00 H new ATOM 0 HG23 ILE A 75 12.131 -4.671 5.843 1.00 0.00 H new ATOM 0 HD11 ILE A 75 7.953 -3.472 5.205 1.00 0.00 H new ATOM 0 HD12 ILE A 75 7.772 -4.702 6.478 1.00 0.00 H new ATOM 0 HD13 ILE A 75 8.927 -3.364 6.690 1.00 0.00 H new ATOM 1177 N THR A 76 11.299 -8.619 7.415 1.00 0.00 N ATOM 1178 CA THR A 76 12.260 -9.405 8.244 1.00 0.00 C ATOM 1179 C THR A 76 11.954 -10.921 8.178 1.00 0.00 C ATOM 1180 O THR A 76 12.869 -11.696 8.005 1.00 0.00 O ATOM 1181 CB THR A 76 12.209 -9.005 9.732 1.00 0.00 C ATOM 1182 OG1 THR A 76 12.328 -7.612 9.886 1.00 0.00 O ATOM 1183 CG2 THR A 76 13.454 -9.642 10.383 1.00 0.00 C ATOM 0 H THR A 76 10.308 -8.784 7.590 1.00 0.00 H new ATOM 0 HA THR A 76 13.245 -9.187 7.830 1.00 0.00 H new ATOM 0 HB THR A 76 11.267 -9.329 10.174 1.00 0.00 H new ATOM 0 HG1 THR A 76 12.291 -7.384 10.838 1.00 0.00 H new ATOM 0 HG21 THR A 76 13.477 -9.394 11.444 1.00 0.00 H new ATOM 0 HG22 THR A 76 13.413 -10.725 10.264 1.00 0.00 H new ATOM 0 HG23 THR A 76 14.353 -9.258 9.902 1.00 0.00 H new ATOM 1191 N GLN A 77 10.710 -11.225 8.317 1.00 0.00 N ATOM 1192 CA GLN A 77 10.174 -12.625 8.305 1.00 0.00 C ATOM 1193 C GLN A 77 8.895 -12.586 9.178 1.00 0.00 C ATOM 1194 O GLN A 77 7.878 -13.172 8.889 1.00 0.00 O ATOM 1195 CB GLN A 77 11.185 -13.627 8.844 1.00 0.00 C ATOM 1196 CG GLN A 77 10.540 -14.829 9.510 1.00 0.00 C ATOM 1197 CD GLN A 77 9.904 -15.732 8.448 1.00 0.00 C ATOM 1198 OE1 GLN A 77 8.726 -15.974 8.509 1.00 0.00 O ATOM 1199 NE2 GLN A 77 10.682 -16.195 7.522 1.00 0.00 N ATOM 0 H GLN A 77 9.985 -10.520 8.448 1.00 0.00 H new ATOM 0 HA GLN A 77 9.959 -12.955 7.289 1.00 0.00 H new ATOM 0 HB2 GLN A 77 11.819 -13.970 8.026 1.00 0.00 H new ATOM 0 HB3 GLN A 77 11.835 -13.127 9.562 1.00 0.00 H new ATOM 0 HG2 GLN A 77 11.286 -15.387 10.075 1.00 0.00 H new ATOM 0 HG3 GLN A 77 9.783 -14.499 10.221 1.00 0.00 H new ATOM 0 HE21 GLN A 77 11.673 -15.955 7.522 1.00 0.00 H new ATOM 0 HE22 GLN A 77 10.303 -16.799 6.793 1.00 0.00 H new ATOM 1208 N ASN A 78 9.035 -11.849 10.255 1.00 0.00 N ATOM 1209 CA ASN A 78 7.910 -11.656 11.240 1.00 0.00 C ATOM 1210 C ASN A 78 7.320 -10.263 10.910 1.00 0.00 C ATOM 1211 O ASN A 78 6.137 -10.020 10.942 1.00 0.00 O ATOM 1212 CB ASN A 78 8.432 -11.681 12.662 1.00 0.00 C ATOM 1213 CG ASN A 78 7.274 -12.163 13.563 1.00 0.00 C ATOM 1214 OD1 ASN A 78 7.451 -12.996 14.433 1.00 0.00 O ATOM 1215 ND2 ASN A 78 6.085 -11.672 13.386 1.00 0.00 N ATOM 0 H ASN A 78 9.897 -11.362 10.501 1.00 0.00 H new ATOM 0 HA ASN A 78 7.165 -12.448 11.164 1.00 0.00 H new ATOM 0 HB2 ASN A 78 9.289 -12.349 12.746 1.00 0.00 H new ATOM 0 HB3 ASN A 78 8.770 -10.690 12.966 1.00 0.00 H new ATOM 0 HD21 ASN A 78 5.312 -11.985 13.973 1.00 0.00 H new ATOM 0 HD22 ASN A 78 5.925 -10.973 12.660 1.00 0.00 H new ATOM 1222 N ASN A 79 8.247 -9.383 10.585 1.00 0.00 N ATOM 1223 CA ASN A 79 7.900 -7.964 10.209 1.00 0.00 C ATOM 1224 C ASN A 79 7.556 -8.012 8.700 1.00 0.00 C ATOM 1225 O ASN A 79 8.424 -8.248 7.871 1.00 0.00 O ATOM 1226 CB ASN A 79 9.076 -7.052 10.476 1.00 0.00 C ATOM 1227 CG ASN A 79 9.296 -6.817 11.976 1.00 0.00 C ATOM 1228 OD1 ASN A 79 9.386 -5.710 12.468 1.00 0.00 O ATOM 1229 ND2 ASN A 79 9.386 -7.860 12.762 1.00 0.00 N ATOM 0 H ASN A 79 9.245 -9.591 10.564 1.00 0.00 H new ATOM 0 HA ASN A 79 7.066 -7.573 10.791 1.00 0.00 H new ATOM 0 HB2 ASN A 79 9.977 -7.486 10.042 1.00 0.00 H new ATOM 0 HB3 ASN A 79 8.912 -6.095 9.980 1.00 0.00 H new ATOM 0 HD21 ASN A 79 9.529 -7.733 13.764 1.00 0.00 H new ATOM 0 HD22 ASN A 79 9.314 -8.800 12.372 1.00 0.00 H new ATOM 1236 N ALA A 80 6.312 -7.796 8.428 1.00 0.00 N ATOM 1237 CA ALA A 80 5.760 -7.816 7.036 1.00 0.00 C ATOM 1238 C ALA A 80 4.909 -6.544 6.843 1.00 0.00 C ATOM 1239 O ALA A 80 4.020 -6.222 7.612 1.00 0.00 O ATOM 1240 CB ALA A 80 4.943 -9.083 6.863 1.00 0.00 C ATOM 0 H ALA A 80 5.612 -7.595 9.142 1.00 0.00 H new ATOM 0 HA ALA A 80 6.548 -7.819 6.282 1.00 0.00 H new ATOM 0 HB1 ALA A 80 4.532 -9.116 5.854 1.00 0.00 H new ATOM 0 HB2 ALA A 80 5.581 -9.952 7.023 1.00 0.00 H new ATOM 0 HB3 ALA A 80 4.128 -9.092 7.587 1.00 0.00 H new ATOM 1246 N MET A 81 5.188 -5.813 5.810 1.00 0.00 N ATOM 1247 CA MET A 81 4.502 -4.559 5.448 1.00 0.00 C ATOM 1248 C MET A 81 2.984 -4.659 5.480 1.00 0.00 C ATOM 1249 O MET A 81 2.424 -5.686 5.117 1.00 0.00 O ATOM 1250 CB MET A 81 4.919 -4.191 4.007 1.00 0.00 C ATOM 1251 CG MET A 81 4.037 -3.111 3.415 1.00 0.00 C ATOM 1252 SD MET A 81 4.726 -2.609 1.806 1.00 0.00 S ATOM 1253 CE MET A 81 6.437 -2.373 2.276 1.00 0.00 C ATOM 0 H MET A 81 5.927 -6.062 5.152 1.00 0.00 H new ATOM 0 HA MET A 81 4.792 -3.810 6.185 1.00 0.00 H new ATOM 0 HB2 MET A 81 5.955 -3.853 4.005 1.00 0.00 H new ATOM 0 HB3 MET A 81 4.873 -5.081 3.379 1.00 0.00 H new ATOM 0 HG2 MET A 81 3.019 -3.481 3.291 1.00 0.00 H new ATOM 0 HG3 MET A 81 3.986 -2.255 4.087 1.00 0.00 H new ATOM 0 HE1 MET A 81 6.904 -1.656 1.601 1.00 0.00 H new ATOM 0 HE2 MET A 81 6.485 -1.994 3.297 1.00 0.00 H new ATOM 0 HE3 MET A 81 6.965 -3.325 2.217 1.00 0.00 H new ATOM 1263 N LYS A 82 2.294 -3.602 5.885 1.00 0.00 N ATOM 1264 CA LYS A 82 0.820 -3.565 5.918 1.00 0.00 C ATOM 1265 C LYS A 82 0.389 -2.219 5.256 1.00 0.00 C ATOM 1266 O LYS A 82 0.739 -1.201 5.802 1.00 0.00 O ATOM 1267 CB LYS A 82 0.270 -3.784 7.324 1.00 0.00 C ATOM 1268 CG LYS A 82 0.704 -5.158 7.899 1.00 0.00 C ATOM 1269 CD LYS A 82 -0.474 -6.085 8.096 1.00 0.00 C ATOM 1270 CE LYS A 82 -1.113 -6.324 6.728 1.00 0.00 C ATOM 1271 NZ LYS A 82 -2.288 -7.235 6.880 1.00 0.00 N ATOM 0 H LYS A 82 2.733 -2.738 6.203 1.00 0.00 H new ATOM 0 HA LYS A 82 0.388 -4.391 5.353 1.00 0.00 H new ATOM 0 HB2 LYS A 82 0.620 -2.987 7.980 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -0.818 -3.725 7.303 1.00 0.00 H new ATOM 0 HG2 LYS A 82 1.423 -5.623 7.224 1.00 0.00 H new ATOM 0 HG3 LYS A 82 1.212 -5.009 8.852 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -0.149 -7.028 8.536 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -1.196 -5.645 8.783 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -1.428 -5.376 6.291 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -0.385 -6.763 6.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -2.723 -7.398 5.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -1.974 -8.143 7.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -2.985 -6.799 7.517 1.00 0.00 H new ATOM 1285 N ILE A 83 -0.278 -2.417 4.147 1.00 0.00 N ATOM 1286 CA ILE A 83 -0.758 -1.395 3.193 1.00 0.00 C ATOM 1287 C ILE A 83 -2.293 -1.605 3.112 1.00 0.00 C ATOM 1288 O ILE A 83 -2.798 -2.682 2.870 1.00 0.00 O ATOM 1289 CB ILE A 83 -0.160 -1.794 1.810 1.00 0.00 C ATOM 1290 CG1 ILE A 83 1.314 -1.419 1.729 1.00 0.00 C ATOM 1291 CG2 ILE A 83 -0.902 -1.045 0.729 1.00 0.00 C ATOM 1292 CD1 ILE A 83 1.875 -2.003 0.415 1.00 0.00 C ATOM 0 H ILE A 83 -0.529 -3.359 3.847 1.00 0.00 H new ATOM 0 HA ILE A 83 -0.493 -0.375 3.470 1.00 0.00 H new ATOM 0 HB ILE A 83 -0.260 -2.872 1.682 1.00 0.00 H new ATOM 0 HG12 ILE A 83 1.435 -0.336 1.748 1.00 0.00 H new ATOM 0 HG13 ILE A 83 1.857 -1.816 2.587 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -0.494 -1.314 -0.245 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -1.959 -1.307 0.765 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -0.789 0.028 0.886 1.00 0.00 H new ATOM 0 HD11 ILE A 83 2.932 -1.751 0.327 1.00 0.00 H new ATOM 0 HD12 ILE A 83 1.759 -3.087 0.420 1.00 0.00 H new ATOM 0 HD13 ILE A 83 1.330 -1.584 -0.431 1.00 0.00 H new ATOM 1304 N SER A 84 -2.932 -0.533 3.382 1.00 0.00 N ATOM 1305 CA SER A 84 -4.408 -0.491 3.483 1.00 0.00 C ATOM 1306 C SER A 84 -4.965 0.587 2.538 1.00 0.00 C ATOM 1307 O SER A 84 -4.789 1.729 2.803 1.00 0.00 O ATOM 1308 CB SER A 84 -4.845 -0.227 4.936 1.00 0.00 C ATOM 1309 OG SER A 84 -6.246 0.040 4.947 1.00 0.00 O ATOM 0 H SER A 84 -2.479 0.366 3.547 1.00 0.00 H new ATOM 0 HA SER A 84 -4.811 -1.459 3.184 1.00 0.00 H new ATOM 0 HB2 SER A 84 -4.619 -1.090 5.562 1.00 0.00 H new ATOM 0 HB3 SER A 84 -4.295 0.619 5.349 1.00 0.00 H new ATOM 0 HG SER A 84 -6.540 0.209 5.867 1.00 0.00 H new ATOM 1315 N PHE A 85 -5.569 0.146 1.506 1.00 0.00 N ATOM 1316 CA PHE A 85 -6.242 1.050 0.513 1.00 0.00 C ATOM 1317 C PHE A 85 -6.838 2.304 1.178 1.00 0.00 C ATOM 1318 O PHE A 85 -7.202 2.364 2.320 1.00 0.00 O ATOM 1319 CB PHE A 85 -7.437 0.373 -0.152 1.00 0.00 C ATOM 1320 CG PHE A 85 -7.380 -1.113 -0.185 1.00 0.00 C ATOM 1321 CD1 PHE A 85 -7.788 -1.817 0.975 1.00 0.00 C ATOM 1322 CD2 PHE A 85 -6.937 -1.764 -1.341 1.00 0.00 C ATOM 1323 CE1 PHE A 85 -7.752 -3.204 0.982 1.00 0.00 C ATOM 1324 CE2 PHE A 85 -6.911 -3.174 -1.314 1.00 0.00 C ATOM 1325 CZ PHE A 85 -7.317 -3.865 -0.158 1.00 0.00 C ATOM 0 H PHE A 85 -5.641 -0.846 1.278 1.00 0.00 H new ATOM 0 HA PHE A 85 -5.458 1.301 -0.201 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -8.344 0.675 0.371 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -7.521 0.741 -1.174 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -8.125 -1.278 1.848 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -6.628 -1.211 -2.216 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -8.057 -3.758 1.857 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -6.579 -3.724 -2.182 1.00 0.00 H new ATOM 0 HZ PHE A 85 -7.289 -4.945 -0.158 1.00 0.00 H new ATOM 1335 N ALA A 86 -6.964 3.341 0.418 1.00 0.00 N ATOM 1336 CA ALA A 86 -7.475 4.646 0.856 1.00 0.00 C ATOM 1337 C ALA A 86 -8.931 4.892 0.524 1.00 0.00 C ATOM 1338 O ALA A 86 -9.765 4.931 1.395 1.00 0.00 O ATOM 1339 CB ALA A 86 -6.677 5.696 0.047 1.00 0.00 C ATOM 0 H ALA A 86 -6.710 3.326 -0.570 1.00 0.00 H new ATOM 0 HA ALA A 86 -7.373 4.696 1.940 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -7.008 6.697 0.324 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -5.614 5.592 0.265 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -6.846 5.540 -1.018 1.00 0.00 H new