USER MOD reduce.3.24.130724 H: found=0, std=0, add=718, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 717 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 51 ASN : amide:sc= 0.228 K(o=1.6,f=-3.3!) USER MOD Set 1.2: A 54 THR OG1 : rot 61:sc= 1.4 USER MOD Single : A 16 THR OG1 : rot 46:sc= 0.532 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 MET CE :methyl -159:sc= -0.0305 (180deg=-0.33) USER MOD Single : A 32 SER OG : rot -129:sc= -2.66! USER MOD Single : A 33 SER OG : rot 7:sc= 0.502 USER MOD Single : A 37 GLN : amide:sc= -5.04! C(o=-5!,f=-8.8!) USER MOD Single : A 43 SER OG : rot -149:sc= -5.17! USER MOD Single : A 44 MET CE :methyl -145:sc= -0.15 (180deg=-0.854) USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.227 USER MOD Single : A 46 ASN : amide:sc= -1.11! C(o=-1.1!,f=-1.1!) USER MOD Single : A 58 LYS NZ :NH3+ -130:sc= 0.0489 (180deg=-3.71!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 HIS : no HE2:sc=-0.000843 K(o=-0.00084,f=-1.6) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= -0.13 K(o=-0.13,f=-1.1!) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= -0.0898 USER MOD Single : A 88 HIS : no HD1:sc= -1.43 K(o=-1.4,f=-2) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ -123:sc= -0.101 (180deg=-0.628) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 MET CE :methyl 170:sc= -0.165 (180deg=-0.522) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 190 N THR A 16 -9.902 -2.406 -4.908 1.00 0.00 N ATOM 191 CA THR A 16 -10.782 -1.333 -4.462 1.00 0.00 C ATOM 192 C THR A 16 -11.677 -1.795 -3.318 1.00 0.00 C ATOM 193 O THR A 16 -12.694 -2.453 -3.541 1.00 0.00 O ATOM 194 CB THR A 16 -11.665 -0.816 -5.614 1.00 0.00 C ATOM 195 OG1 THR A 16 -12.351 -1.909 -6.233 1.00 0.00 O ATOM 196 CG2 THR A 16 -10.828 -0.082 -6.651 1.00 0.00 C ATOM 0 HA THR A 16 -10.141 -0.523 -4.113 1.00 0.00 H new ATOM 0 HB THR A 16 -12.393 -0.119 -5.200 1.00 0.00 H new ATOM 0 HG1 THR A 16 -12.733 -2.489 -5.542 1.00 0.00 H new ATOM 0 HG21 THR A 16 -11.473 0.274 -7.454 1.00 0.00 H new ATOM 0 HG22 THR A 16 -10.331 0.767 -6.182 1.00 0.00 H new ATOM 0 HG23 THR A 16 -10.079 -0.760 -7.061 1.00 0.00 H new ATOM 204 N ILE A 17 -11.293 -1.448 -2.095 1.00 0.00 N ATOM 205 CA ILE A 17 -12.062 -1.826 -0.917 1.00 0.00 C ATOM 206 C ILE A 17 -12.191 -0.658 0.055 1.00 0.00 C ATOM 207 O ILE A 17 -11.199 -0.019 0.407 1.00 0.00 O ATOM 208 CB ILE A 17 -11.421 -3.020 -0.185 1.00 0.00 C ATOM 209 CG1 ILE A 17 -11.328 -4.228 -1.118 1.00 0.00 C ATOM 210 CG2 ILE A 17 -12.219 -3.367 1.063 1.00 0.00 C ATOM 211 CD1 ILE A 17 -10.278 -5.234 -0.702 1.00 0.00 C ATOM 0 H ILE A 17 -10.453 -0.905 -1.894 1.00 0.00 H new ATOM 0 HA ILE A 17 -13.053 -2.114 -1.267 1.00 0.00 H new ATOM 0 HB ILE A 17 -10.412 -2.742 0.119 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -12.298 -4.723 -1.156 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -11.107 -3.881 -2.127 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -11.753 -4.213 1.569 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -12.237 -2.508 1.734 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -13.239 -3.629 0.782 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -10.268 -6.063 -1.409 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -9.299 -4.755 -0.691 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -10.509 -5.610 0.295 1.00 0.00 H new ATOM 223 N ILE A 18 -13.418 -0.385 0.485 1.00 0.00 N ATOM 224 CA ILE A 18 -13.675 0.704 1.419 1.00 0.00 C ATOM 225 C ILE A 18 -13.810 0.185 2.846 1.00 0.00 C ATOM 226 O ILE A 18 -14.546 -0.768 3.105 1.00 0.00 O ATOM 227 CB ILE A 18 -14.953 1.477 1.043 1.00 0.00 C ATOM 228 CG1 ILE A 18 -14.836 2.041 -0.375 1.00 0.00 C ATOM 229 CG2 ILE A 18 -15.210 2.594 2.043 1.00 0.00 C ATOM 230 CD1 ILE A 18 -13.739 3.071 -0.527 1.00 0.00 C ATOM 0 H ILE A 18 -14.250 -0.903 0.202 1.00 0.00 H new ATOM 0 HA ILE A 18 -12.821 1.378 1.360 1.00 0.00 H new ATOM 0 HB ILE A 18 -15.798 0.789 1.072 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -14.652 1.221 -1.069 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -15.788 2.491 -0.658 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -16.116 3.131 1.764 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -15.332 2.169 3.039 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -14.366 3.283 2.044 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -13.714 3.427 -1.557 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -13.932 3.910 0.142 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -12.779 2.620 -0.276 1.00 0.00 H new ATOM 242 N LEU A 19 -13.097 0.819 3.770 1.00 0.00 N ATOM 243 CA LEU A 19 -13.137 0.423 5.173 1.00 0.00 C ATOM 244 C LEU A 19 -14.108 1.299 5.958 1.00 0.00 C ATOM 245 O LEU A 19 -14.118 2.524 5.833 1.00 0.00 O ATOM 246 CB LEU A 19 -11.740 0.511 5.789 1.00 0.00 C ATOM 247 CG LEU A 19 -11.442 -0.472 6.922 1.00 0.00 C ATOM 248 CD1 LEU A 19 -11.420 -1.899 6.397 1.00 0.00 C ATOM 249 CD2 LEU A 19 -10.121 -0.128 7.593 1.00 0.00 C ATOM 0 H LEU A 19 -12.484 1.610 3.573 1.00 0.00 H new ATOM 0 HA LEU A 19 -13.485 -0.609 5.224 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -11.006 0.356 4.998 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -11.594 1.523 6.166 1.00 0.00 H new ATOM 0 HG LEU A 19 -12.235 -0.392 7.665 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -11.207 -2.585 7.217 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -12.390 -2.142 5.964 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -10.648 -1.994 5.634 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -9.925 -0.838 8.397 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -9.316 -0.179 6.860 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -10.173 0.880 8.004 1.00 0.00 H new ATOM 261 N PRO A 20 -14.944 0.659 6.790 1.00 0.00 N ATOM 262 CA PRO A 20 -15.932 1.361 7.614 1.00 0.00 C ATOM 263 C PRO A 20 -15.284 2.171 8.732 1.00 0.00 C ATOM 264 O PRO A 20 -14.068 2.131 8.914 1.00 0.00 O ATOM 265 CB PRO A 20 -16.778 0.226 8.197 1.00 0.00 C ATOM 266 CG PRO A 20 -15.876 -0.960 8.192 1.00 0.00 C ATOM 267 CD PRO A 20 -14.988 -0.799 6.989 1.00 0.00 C ATOM 0 HA PRO A 20 -16.506 2.085 7.035 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -17.116 0.462 9.206 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -17.670 0.048 7.596 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -15.287 -1.007 9.108 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -16.449 -1.886 8.133 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -13.994 -1.211 7.165 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -15.395 -1.311 6.117 1.00 0.00 H new ATOM 275 N GLU A 21 -16.105 2.905 9.477 1.00 0.00 N ATOM 276 CA GLU A 21 -15.610 3.724 10.577 1.00 0.00 C ATOM 277 C GLU A 21 -15.537 2.915 11.868 1.00 0.00 C ATOM 278 O GLU A 21 -15.553 3.474 12.965 1.00 0.00 O ATOM 279 CB GLU A 21 -16.510 4.945 10.777 1.00 0.00 C ATOM 280 CG GLU A 21 -17.941 4.592 11.146 1.00 0.00 C ATOM 281 CD GLU A 21 -18.768 5.811 11.508 1.00 0.00 C ATOM 282 OE1 GLU A 21 -18.688 6.258 12.671 1.00 0.00 O ATOM 283 OE2 GLU A 21 -19.495 6.317 10.628 1.00 0.00 O ATOM 0 H GLU A 21 -17.115 2.949 9.339 1.00 0.00 H new ATOM 0 HA GLU A 21 -14.605 4.060 10.323 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -16.086 5.574 11.560 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -16.515 5.536 9.861 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -18.411 4.074 10.310 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -17.935 3.899 11.987 1.00 0.00 H new ATOM 290 N ASP A 22 -15.456 1.596 11.729 1.00 0.00 N ATOM 291 CA ASP A 22 -15.380 0.709 12.884 1.00 0.00 C ATOM 292 C ASP A 22 -13.995 0.080 12.995 1.00 0.00 C ATOM 293 O ASP A 22 -13.657 -0.524 14.013 1.00 0.00 O ATOM 294 CB ASP A 22 -16.444 -0.385 12.784 1.00 0.00 C ATOM 295 CG ASP A 22 -17.755 0.022 13.428 1.00 0.00 C ATOM 296 OD1 ASP A 22 -17.905 -0.187 14.650 1.00 0.00 O ATOM 297 OD2 ASP A 22 -18.631 0.548 12.710 1.00 0.00 O ATOM 0 H ASP A 22 -15.441 1.118 10.828 1.00 0.00 H new ATOM 0 HA ASP A 22 -15.563 1.302 13.780 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -16.617 -0.625 11.735 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -16.074 -1.292 13.262 1.00 0.00 H new ATOM 302 N ILE A 23 -13.199 0.225 11.941 1.00 0.00 N ATOM 303 CA ILE A 23 -11.851 -0.329 11.921 1.00 0.00 C ATOM 304 C ILE A 23 -10.814 0.734 12.268 1.00 0.00 C ATOM 305 O ILE A 23 -10.993 1.912 11.961 1.00 0.00 O ATOM 306 CB ILE A 23 -11.510 -0.933 10.545 1.00 0.00 C ATOM 307 CG1 ILE A 23 -12.781 -1.433 9.855 1.00 0.00 C ATOM 308 CG2 ILE A 23 -10.503 -2.063 10.697 1.00 0.00 C ATOM 309 CD1 ILE A 23 -13.627 -2.334 10.727 1.00 0.00 C ATOM 0 H ILE A 23 -13.464 0.721 11.090 1.00 0.00 H new ATOM 0 HA ILE A 23 -11.824 -1.119 12.672 1.00 0.00 H new ATOM 0 HB ILE A 23 -11.063 -0.157 9.924 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -13.378 -0.575 9.546 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -12.505 -1.973 8.949 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -10.272 -2.479 9.716 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -9.590 -1.678 11.152 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -10.924 -2.842 11.332 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -14.511 -2.650 10.173 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -13.047 -3.210 11.016 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -13.934 -1.791 11.621 1.00 0.00 H new ATOM 321 N GLU A 24 -9.729 0.309 12.907 1.00 0.00 N ATOM 322 CA GLU A 24 -8.663 1.225 13.295 1.00 0.00 C ATOM 323 C GLU A 24 -7.527 1.200 12.276 1.00 0.00 C ATOM 324 O GLU A 24 -6.972 0.143 11.973 1.00 0.00 O ATOM 325 CB GLU A 24 -8.127 0.862 14.681 1.00 0.00 C ATOM 326 CG GLU A 24 -6.775 1.482 14.992 1.00 0.00 C ATOM 327 CD GLU A 24 -6.451 1.463 16.473 1.00 0.00 C ATOM 328 OE1 GLU A 24 -7.126 2.185 17.237 1.00 0.00 O ATOM 329 OE2 GLU A 24 -5.524 0.726 16.869 1.00 0.00 O ATOM 0 H GLU A 24 -9.565 -0.664 13.167 1.00 0.00 H new ATOM 0 HA GLU A 24 -9.078 2.232 13.327 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -8.846 1.182 15.435 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -8.046 -0.222 14.758 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -5.999 0.944 14.447 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -6.761 2.511 14.634 1.00 0.00 H new ATOM 336 N LEU A 25 -7.187 2.371 11.749 1.00 0.00 N ATOM 337 CA LEU A 25 -6.118 2.485 10.763 1.00 0.00 C ATOM 338 C LEU A 25 -4.824 2.962 11.416 1.00 0.00 C ATOM 339 O LEU A 25 -4.663 4.147 11.709 1.00 0.00 O ATOM 340 CB LEU A 25 -6.525 3.450 9.649 1.00 0.00 C ATOM 341 CG LEU A 25 -7.454 2.882 8.575 1.00 0.00 C ATOM 342 CD1 LEU A 25 -7.802 3.950 7.550 1.00 0.00 C ATOM 343 CD2 LEU A 25 -6.812 1.679 7.898 1.00 0.00 C ATOM 0 H LEU A 25 -7.636 3.255 11.988 1.00 0.00 H new ATOM 0 HA LEU A 25 -5.946 1.498 10.335 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -7.012 4.313 10.103 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.620 3.814 9.163 1.00 0.00 H new ATOM 0 HG LEU A 25 -8.376 2.555 9.055 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -8.464 3.527 6.794 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -8.303 4.781 8.046 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -6.889 4.308 7.074 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -7.486 1.287 7.137 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.874 1.981 7.431 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -6.615 0.906 8.641 1.00 0.00 H new ATOM 355 N LYS A 26 -3.903 2.031 11.640 1.00 0.00 N ATOM 356 CA LYS A 26 -2.621 2.355 12.255 1.00 0.00 C ATOM 357 C LYS A 26 -1.642 2.897 11.218 1.00 0.00 C ATOM 358 O LYS A 26 -1.590 2.436 10.077 1.00 0.00 O ATOM 359 CB LYS A 26 -2.029 1.116 12.931 1.00 0.00 C ATOM 360 CG LYS A 26 -2.761 0.707 14.198 1.00 0.00 C ATOM 361 CD LYS A 26 -2.686 -0.793 14.425 1.00 0.00 C ATOM 362 CE LYS A 26 -3.824 -1.520 13.724 1.00 0.00 C ATOM 363 NZ LYS A 26 -3.645 -2.998 13.762 1.00 0.00 N ATOM 0 H LYS A 26 -4.020 1.045 11.405 1.00 0.00 H new ATOM 0 HA LYS A 26 -2.791 3.126 13.007 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -2.047 0.284 12.226 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -0.983 1.308 13.171 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -2.329 1.227 15.053 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -3.805 1.014 14.132 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -1.731 -1.170 14.059 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -2.723 -1.003 15.494 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -4.770 -1.256 14.198 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -3.883 -1.188 12.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -4.441 -3.457 13.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -2.755 -3.252 13.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -3.614 -3.319 14.751 1.00 0.00 H new ATOM 377 N PRO A 27 -0.845 3.898 11.621 1.00 0.00 N ATOM 378 CA PRO A 27 0.148 4.522 10.743 1.00 0.00 C ATOM 379 C PRO A 27 1.313 3.590 10.430 1.00 0.00 C ATOM 380 O PRO A 27 2.198 3.384 11.263 1.00 0.00 O ATOM 381 CB PRO A 27 0.630 5.728 11.553 1.00 0.00 C ATOM 382 CG PRO A 27 0.383 5.353 12.974 1.00 0.00 C ATOM 383 CD PRO A 27 -0.853 4.496 12.967 1.00 0.00 C ATOM 0 HA PRO A 27 -0.274 4.784 9.773 1.00 0.00 H new ATOM 0 HB2 PRO A 27 1.686 5.928 11.374 1.00 0.00 H new ATOM 0 HB3 PRO A 27 0.084 6.631 11.281 1.00 0.00 H new ATOM 0 HG2 PRO A 27 1.232 4.809 13.388 1.00 0.00 H new ATOM 0 HG3 PRO A 27 0.240 6.239 13.592 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -0.818 3.734 13.746 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -1.753 5.087 13.139 1.00 0.00 H new ATOM 391 N LEU A 28 1.310 3.029 9.226 1.00 0.00 N ATOM 392 CA LEU A 28 2.368 2.118 8.803 1.00 0.00 C ATOM 393 C LEU A 28 3.622 2.889 8.404 1.00 0.00 C ATOM 394 O LEU A 28 4.742 2.447 8.657 1.00 0.00 O ATOM 395 CB LEU A 28 1.889 1.258 7.632 1.00 0.00 C ATOM 396 CG LEU A 28 2.975 0.765 6.674 1.00 0.00 C ATOM 397 CD1 LEU A 28 2.485 -0.442 5.889 1.00 0.00 C ATOM 398 CD2 LEU A 28 3.400 1.880 5.730 1.00 0.00 C ATOM 0 H LEU A 28 0.586 3.189 8.525 1.00 0.00 H new ATOM 0 HA LEU A 28 2.615 1.470 9.644 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.366 0.390 8.034 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.161 1.832 7.059 1.00 0.00 H new ATOM 0 HG LEU A 28 3.842 0.464 7.262 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.270 -0.779 5.213 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.231 -1.246 6.579 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.602 -0.167 5.312 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.173 1.511 5.056 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.540 2.212 5.149 1.00 0.00 H new ATOM 0 HD23 LEU A 28 3.792 2.717 6.308 1.00 0.00 H new ATOM 410 N GLY A 29 3.426 4.046 7.779 1.00 0.00 N ATOM 411 CA GLY A 29 4.550 4.861 7.357 1.00 0.00 C ATOM 412 C GLY A 29 4.127 6.022 6.479 1.00 0.00 C ATOM 413 O GLY A 29 2.997 6.499 6.572 1.00 0.00 O ATOM 0 H GLY A 29 2.509 4.433 7.557 1.00 0.00 H new ATOM 0 HA2 GLY A 29 5.067 5.244 8.237 1.00 0.00 H new ATOM 0 HA3 GLY A 29 5.262 4.239 6.814 1.00 0.00 H new ATOM 417 N MET A 30 5.038 6.479 5.625 1.00 0.00 N ATOM 418 CA MET A 30 4.753 7.592 4.727 1.00 0.00 C ATOM 419 C MET A 30 5.545 7.461 3.431 1.00 0.00 C ATOM 420 O MET A 30 6.720 7.094 3.443 1.00 0.00 O ATOM 421 CB MET A 30 5.083 8.922 5.408 1.00 0.00 C ATOM 422 CG MET A 30 5.231 10.082 4.437 1.00 0.00 C ATOM 423 SD MET A 30 6.924 10.283 3.849 1.00 0.00 S ATOM 424 CE MET A 30 7.717 10.936 5.316 1.00 0.00 C ATOM 0 H MET A 30 5.979 6.096 5.536 1.00 0.00 H new ATOM 0 HA MET A 30 3.690 7.569 4.486 1.00 0.00 H new ATOM 0 HB2 MET A 30 4.297 9.158 6.126 1.00 0.00 H new ATOM 0 HB3 MET A 30 6.009 8.812 5.973 1.00 0.00 H new ATOM 0 HG2 MET A 30 4.571 9.924 3.584 1.00 0.00 H new ATOM 0 HG3 MET A 30 4.908 11.002 4.924 1.00 0.00 H new ATOM 0 HE1 MET A 30 8.634 11.453 5.034 1.00 0.00 H new ATOM 0 HE2 MET A 30 7.044 11.635 5.812 1.00 0.00 H new ATOM 0 HE3 MET A 30 7.955 10.118 5.995 1.00 0.00 H new ATOM 434 N VAL A 31 4.894 7.763 2.312 1.00 0.00 N ATOM 435 CA VAL A 31 5.538 7.680 1.006 1.00 0.00 C ATOM 436 C VAL A 31 6.880 8.404 1.008 1.00 0.00 C ATOM 437 O VAL A 31 6.936 9.628 1.125 1.00 0.00 O ATOM 438 CB VAL A 31 4.646 8.278 -0.099 1.00 0.00 C ATOM 439 CG1 VAL A 31 5.302 8.114 -1.461 1.00 0.00 C ATOM 440 CG2 VAL A 31 3.270 7.631 -0.080 1.00 0.00 C ATOM 0 H VAL A 31 3.921 8.067 2.284 1.00 0.00 H new ATOM 0 HA VAL A 31 5.699 6.622 0.799 1.00 0.00 H new ATOM 0 HB VAL A 31 4.524 9.344 0.093 1.00 0.00 H new ATOM 0 HG11 VAL A 31 4.658 8.542 -2.229 1.00 0.00 H new ATOM 0 HG12 VAL A 31 6.263 8.628 -1.466 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.456 7.054 -1.666 1.00 0.00 H new ATOM 0 HG21 VAL A 31 2.653 8.065 -0.867 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.370 6.559 -0.247 1.00 0.00 H new ATOM 0 HG23 VAL A 31 2.799 7.805 0.888 1.00 0.00 H new ATOM 450 N SER A 32 7.959 7.639 0.877 1.00 0.00 N ATOM 451 CA SER A 32 9.302 8.207 0.867 1.00 0.00 C ATOM 452 C SER A 32 9.833 8.321 -0.559 1.00 0.00 C ATOM 453 O SER A 32 10.593 9.235 -0.879 1.00 0.00 O ATOM 454 CB SER A 32 10.248 7.349 1.709 1.00 0.00 C ATOM 455 OG SER A 32 10.219 7.743 3.069 1.00 0.00 O ATOM 0 H SER A 32 7.929 6.624 0.776 1.00 0.00 H new ATOM 0 HA SER A 32 9.250 9.207 1.298 1.00 0.00 H new ATOM 0 HB2 SER A 32 9.964 6.300 1.625 1.00 0.00 H new ATOM 0 HB3 SER A 32 11.264 7.436 1.323 1.00 0.00 H new ATOM 0 HG SER A 32 11.135 7.886 3.388 1.00 0.00 H new ATOM 461 N SER A 33 9.426 7.386 -1.411 1.00 0.00 N ATOM 462 CA SER A 33 9.863 7.377 -2.802 1.00 0.00 C ATOM 463 C SER A 33 8.846 6.662 -3.687 1.00 0.00 C ATOM 464 O SER A 33 7.900 6.049 -3.193 1.00 0.00 O ATOM 465 CB SER A 33 11.229 6.700 -2.926 1.00 0.00 C ATOM 466 OG SER A 33 12.242 7.479 -2.313 1.00 0.00 O ATOM 0 H SER A 33 8.794 6.625 -1.162 1.00 0.00 H new ATOM 0 HA SER A 33 9.947 8.411 -3.137 1.00 0.00 H new ATOM 0 HB2 SER A 33 11.193 5.714 -2.462 1.00 0.00 H new ATOM 0 HB3 SER A 33 11.469 6.549 -3.978 1.00 0.00 H new ATOM 0 HG SER A 33 11.834 8.237 -1.845 1.00 0.00 H new ATOM 472 N ILE A 34 9.050 6.746 -4.998 1.00 0.00 N ATOM 473 CA ILE A 34 8.152 6.106 -5.952 1.00 0.00 C ATOM 474 C ILE A 34 8.933 5.429 -7.072 1.00 0.00 C ATOM 475 O ILE A 34 9.863 6.009 -7.633 1.00 0.00 O ATOM 476 CB ILE A 34 7.169 7.120 -6.566 1.00 0.00 C ATOM 477 CG1 ILE A 34 6.116 7.532 -5.536 1.00 0.00 C ATOM 478 CG2 ILE A 34 6.506 6.532 -7.803 1.00 0.00 C ATOM 479 CD1 ILE A 34 6.554 8.676 -4.649 1.00 0.00 C ATOM 0 H ILE A 34 9.828 7.250 -5.423 1.00 0.00 H new ATOM 0 HA ILE A 34 7.588 5.354 -5.400 1.00 0.00 H new ATOM 0 HB ILE A 34 7.726 8.009 -6.863 1.00 0.00 H new ATOM 0 HG12 ILE A 34 5.202 7.816 -6.057 1.00 0.00 H new ATOM 0 HG13 ILE A 34 5.873 6.672 -4.912 1.00 0.00 H new ATOM 0 HG21 ILE A 34 5.814 7.260 -8.226 1.00 0.00 H new ATOM 0 HG22 ILE A 34 7.268 6.285 -8.542 1.00 0.00 H new ATOM 0 HG23 ILE A 34 5.960 5.629 -7.529 1.00 0.00 H new ATOM 0 HD11 ILE A 34 5.758 8.915 -3.943 1.00 0.00 H new ATOM 0 HD12 ILE A 34 7.451 8.388 -4.101 1.00 0.00 H new ATOM 0 HD13 ILE A 34 6.769 9.551 -5.263 1.00 0.00 H new ATOM 491 N ILE A 35 8.548 4.198 -7.394 1.00 0.00 N ATOM 492 CA ILE A 35 9.211 3.443 -8.450 1.00 0.00 C ATOM 493 C ILE A 35 8.571 3.717 -9.806 1.00 0.00 C ATOM 494 O ILE A 35 7.415 4.131 -9.886 1.00 0.00 O ATOM 495 CB ILE A 35 9.167 1.929 -8.171 1.00 0.00 C ATOM 496 CG1 ILE A 35 9.941 1.601 -6.892 1.00 0.00 C ATOM 497 CG2 ILE A 35 9.735 1.156 -9.352 1.00 0.00 C ATOM 498 CD1 ILE A 35 9.672 0.209 -6.364 1.00 0.00 C ATOM 0 H ILE A 35 7.781 3.703 -6.939 1.00 0.00 H new ATOM 0 HA ILE A 35 10.250 3.771 -8.468 1.00 0.00 H new ATOM 0 HB ILE A 35 8.128 1.631 -8.032 1.00 0.00 H new ATOM 0 HG12 ILE A 35 11.008 1.708 -7.085 1.00 0.00 H new ATOM 0 HG13 ILE A 35 9.682 2.329 -6.123 1.00 0.00 H new ATOM 0 HG21 ILE A 35 9.697 0.088 -9.140 1.00 0.00 H new ATOM 0 HG22 ILE A 35 9.146 1.370 -10.244 1.00 0.00 H new ATOM 0 HG23 ILE A 35 10.769 1.456 -9.520 1.00 0.00 H new ATOM 0 HD11 ILE A 35 10.253 0.045 -5.457 1.00 0.00 H new ATOM 0 HD12 ILE A 35 8.611 0.104 -6.139 1.00 0.00 H new ATOM 0 HD13 ILE A 35 9.958 -0.527 -7.116 1.00 0.00 H new ATOM 510 N GLU A 36 9.331 3.482 -10.872 1.00 0.00 N ATOM 511 CA GLU A 36 8.837 3.703 -12.226 1.00 0.00 C ATOM 512 C GLU A 36 7.341 3.417 -12.312 1.00 0.00 C ATOM 513 O GLU A 36 6.587 4.178 -12.918 1.00 0.00 O ATOM 514 CB GLU A 36 9.595 2.821 -13.220 1.00 0.00 C ATOM 515 CG GLU A 36 11.074 3.155 -13.325 1.00 0.00 C ATOM 516 CD GLU A 36 11.358 4.218 -14.368 1.00 0.00 C ATOM 517 OE1 GLU A 36 11.069 5.403 -14.100 1.00 0.00 O ATOM 518 OE2 GLU A 36 11.869 3.866 -15.452 1.00 0.00 O ATOM 0 H GLU A 36 10.290 3.139 -10.824 1.00 0.00 H new ATOM 0 HA GLU A 36 9.004 4.750 -12.480 1.00 0.00 H new ATOM 0 HB2 GLU A 36 9.487 1.778 -12.923 1.00 0.00 H new ATOM 0 HB3 GLU A 36 9.138 2.921 -14.204 1.00 0.00 H new ATOM 0 HG2 GLU A 36 11.435 3.497 -12.355 1.00 0.00 H new ATOM 0 HG3 GLU A 36 11.630 2.251 -13.572 1.00 0.00 H new ATOM 525 N GLN A 37 6.919 2.313 -11.703 1.00 0.00 N ATOM 526 CA GLN A 37 5.514 1.925 -11.713 1.00 0.00 C ATOM 527 C GLN A 37 4.994 1.727 -10.293 1.00 0.00 C ATOM 528 O GLN A 37 3.857 2.082 -9.981 1.00 0.00 O ATOM 529 CB GLN A 37 5.323 0.641 -12.522 1.00 0.00 C ATOM 530 CG GLN A 37 6.364 -0.426 -12.225 1.00 0.00 C ATOM 531 CD GLN A 37 7.735 -0.070 -12.766 1.00 0.00 C ATOM 532 OE1 GLN A 37 8.723 -0.062 -12.031 1.00 0.00 O ATOM 533 NE2 GLN A 37 7.803 0.225 -14.059 1.00 0.00 N ATOM 0 H GLN A 37 7.530 1.672 -11.197 1.00 0.00 H new ATOM 0 HA GLN A 37 4.945 2.728 -12.180 1.00 0.00 H new ATOM 0 HB2 GLN A 37 4.332 0.237 -12.317 1.00 0.00 H new ATOM 0 HB3 GLN A 37 5.355 0.883 -13.584 1.00 0.00 H new ATOM 0 HG2 GLN A 37 6.430 -0.574 -11.147 1.00 0.00 H new ATOM 0 HG3 GLN A 37 6.042 -1.373 -12.657 1.00 0.00 H new ATOM 0 HE21 GLN A 37 6.959 0.206 -14.632 1.00 0.00 H new ATOM 0 HE22 GLN A 37 8.699 0.471 -14.480 1.00 0.00 H new ATOM 542 N LEU A 38 5.834 1.157 -9.435 1.00 0.00 N ATOM 543 CA LEU A 38 5.459 0.911 -8.047 1.00 0.00 C ATOM 544 C LEU A 38 5.745 2.134 -7.181 1.00 0.00 C ATOM 545 O LEU A 38 6.302 3.125 -7.652 1.00 0.00 O ATOM 546 CB LEU A 38 6.215 -0.302 -7.501 1.00 0.00 C ATOM 547 CG LEU A 38 6.118 -1.582 -8.332 1.00 0.00 C ATOM 548 CD1 LEU A 38 4.820 -1.607 -9.125 1.00 0.00 C ATOM 549 CD2 LEU A 38 7.316 -1.707 -9.262 1.00 0.00 C ATOM 0 H LEU A 38 6.779 0.857 -9.676 1.00 0.00 H new ATOM 0 HA LEU A 38 4.388 0.709 -8.016 1.00 0.00 H new ATOM 0 HB2 LEU A 38 7.267 -0.035 -7.403 1.00 0.00 H new ATOM 0 HB3 LEU A 38 5.845 -0.515 -6.498 1.00 0.00 H new ATOM 0 HG LEU A 38 6.121 -2.434 -7.652 1.00 0.00 H new ATOM 0 HD11 LEU A 38 4.769 -2.525 -9.710 1.00 0.00 H new ATOM 0 HD12 LEU A 38 3.974 -1.566 -8.439 1.00 0.00 H new ATOM 0 HD13 LEU A 38 4.786 -0.748 -9.795 1.00 0.00 H new ATOM 0 HD21 LEU A 38 7.230 -2.624 -9.845 1.00 0.00 H new ATOM 0 HD22 LEU A 38 7.345 -0.850 -9.935 1.00 0.00 H new ATOM 0 HD23 LEU A 38 8.233 -1.737 -8.673 1.00 0.00 H new ATOM 561 N VAL A 39 5.360 2.056 -5.910 1.00 0.00 N ATOM 562 CA VAL A 39 5.578 3.154 -4.977 1.00 0.00 C ATOM 563 C VAL A 39 6.319 2.679 -3.732 1.00 0.00 C ATOM 564 O VAL A 39 6.098 1.567 -3.253 1.00 0.00 O ATOM 565 CB VAL A 39 4.246 3.802 -4.552 1.00 0.00 C ATOM 566 CG1 VAL A 39 4.484 4.864 -3.489 1.00 0.00 C ATOM 567 CG2 VAL A 39 3.534 4.394 -5.759 1.00 0.00 C ATOM 0 H VAL A 39 4.896 1.244 -5.504 1.00 0.00 H new ATOM 0 HA VAL A 39 6.185 3.895 -5.497 1.00 0.00 H new ATOM 0 HB VAL A 39 3.606 3.031 -4.123 1.00 0.00 H new ATOM 0 HG11 VAL A 39 3.532 5.311 -3.201 1.00 0.00 H new ATOM 0 HG12 VAL A 39 4.949 4.407 -2.616 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.142 5.637 -3.887 1.00 0.00 H new ATOM 0 HG21 VAL A 39 2.595 4.848 -5.441 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.167 5.153 -6.218 1.00 0.00 H new ATOM 0 HG23 VAL A 39 3.329 3.606 -6.483 1.00 0.00 H new ATOM 577 N ILE A 40 7.199 3.530 -3.214 1.00 0.00 N ATOM 578 CA ILE A 40 7.971 3.197 -2.024 1.00 0.00 C ATOM 579 C ILE A 40 7.438 3.933 -0.799 1.00 0.00 C ATOM 580 O ILE A 40 7.253 5.150 -0.825 1.00 0.00 O ATOM 581 CB ILE A 40 9.462 3.540 -2.206 1.00 0.00 C ATOM 582 CG1 ILE A 40 10.024 2.828 -3.438 1.00 0.00 C ATOM 583 CG2 ILE A 40 10.249 3.159 -0.961 1.00 0.00 C ATOM 584 CD1 ILE A 40 10.155 1.331 -3.264 1.00 0.00 C ATOM 0 H ILE A 40 7.394 4.454 -3.600 1.00 0.00 H new ATOM 0 HA ILE A 40 7.869 2.122 -1.872 1.00 0.00 H new ATOM 0 HB ILE A 40 9.557 4.615 -2.356 1.00 0.00 H new ATOM 0 HG12 ILE A 40 9.377 3.031 -4.291 1.00 0.00 H new ATOM 0 HG13 ILE A 40 11.003 3.245 -3.674 1.00 0.00 H new ATOM 0 HG21 ILE A 40 11.300 3.407 -1.105 1.00 0.00 H new ATOM 0 HG22 ILE A 40 9.861 3.708 -0.103 1.00 0.00 H new ATOM 0 HG23 ILE A 40 10.150 2.088 -0.782 1.00 0.00 H new ATOM 0 HD11 ILE A 40 10.559 0.893 -4.176 1.00 0.00 H new ATOM 0 HD12 ILE A 40 10.826 1.119 -2.431 1.00 0.00 H new ATOM 0 HD13 ILE A 40 9.174 0.901 -3.059 1.00 0.00 H new ATOM 596 N ILE A 41 7.195 3.186 0.273 1.00 0.00 N ATOM 597 CA ILE A 41 6.686 3.768 1.509 1.00 0.00 C ATOM 598 C ILE A 41 7.602 3.449 2.685 1.00 0.00 C ATOM 599 O ILE A 41 7.819 2.284 3.016 1.00 0.00 O ATOM 600 CB ILE A 41 5.266 3.263 1.826 1.00 0.00 C ATOM 601 CG1 ILE A 41 4.329 3.535 0.648 1.00 0.00 C ATOM 602 CG2 ILE A 41 4.739 3.922 3.092 1.00 0.00 C ATOM 603 CD1 ILE A 41 3.187 2.548 0.543 1.00 0.00 C ATOM 0 H ILE A 41 7.342 2.177 0.311 1.00 0.00 H new ATOM 0 HA ILE A 41 6.654 4.847 1.360 1.00 0.00 H new ATOM 0 HB ILE A 41 5.308 2.186 1.991 1.00 0.00 H new ATOM 0 HG12 ILE A 41 3.921 4.541 0.744 1.00 0.00 H new ATOM 0 HG13 ILE A 41 4.905 3.511 -0.277 1.00 0.00 H new ATOM 0 HG21 ILE A 41 3.735 3.555 3.302 1.00 0.00 H new ATOM 0 HG22 ILE A 41 5.396 3.681 3.928 1.00 0.00 H new ATOM 0 HG23 ILE A 41 4.708 5.003 2.954 1.00 0.00 H new ATOM 0 HD11 ILE A 41 2.564 2.802 -0.314 1.00 0.00 H new ATOM 0 HD12 ILE A 41 3.586 1.542 0.416 1.00 0.00 H new ATOM 0 HD13 ILE A 41 2.587 2.588 1.452 1.00 0.00 H new ATOM 615 N GLU A 42 8.135 4.492 3.313 1.00 0.00 N ATOM 616 CA GLU A 42 9.028 4.321 4.454 1.00 0.00 C ATOM 617 C GLU A 42 8.233 4.158 5.747 1.00 0.00 C ATOM 618 O GLU A 42 7.247 4.859 5.974 1.00 0.00 O ATOM 619 CB GLU A 42 9.975 5.517 4.572 1.00 0.00 C ATOM 620 CG GLU A 42 10.942 5.414 5.739 1.00 0.00 C ATOM 621 CD GLU A 42 11.941 6.554 5.771 1.00 0.00 C ATOM 622 OE1 GLU A 42 12.640 6.760 4.757 1.00 0.00 O ATOM 623 OE2 GLU A 42 12.023 7.241 6.811 1.00 0.00 O ATOM 0 H GLU A 42 7.965 5.463 3.052 1.00 0.00 H new ATOM 0 HA GLU A 42 9.615 3.417 4.292 1.00 0.00 H new ATOM 0 HB2 GLU A 42 10.544 5.612 3.647 1.00 0.00 H new ATOM 0 HB3 GLU A 42 9.385 6.428 4.679 1.00 0.00 H new ATOM 0 HG2 GLU A 42 10.379 5.403 6.672 1.00 0.00 H new ATOM 0 HG3 GLU A 42 11.479 4.467 5.679 1.00 0.00 H new ATOM 630 N SER A 43 8.670 3.228 6.589 1.00 0.00 N ATOM 631 CA SER A 43 7.998 2.969 7.857 1.00 0.00 C ATOM 632 C SER A 43 8.511 3.906 8.946 1.00 0.00 C ATOM 633 O SER A 43 9.545 4.553 8.785 1.00 0.00 O ATOM 634 CB SER A 43 8.206 1.513 8.281 1.00 0.00 C ATOM 635 OG SER A 43 8.015 1.356 9.676 1.00 0.00 O ATOM 0 H SER A 43 9.486 2.641 6.417 1.00 0.00 H new ATOM 0 HA SER A 43 6.932 3.151 7.718 1.00 0.00 H new ATOM 0 HB2 SER A 43 7.510 0.871 7.741 1.00 0.00 H new ATOM 0 HB3 SER A 43 9.212 1.192 8.010 1.00 0.00 H new ATOM 0 HG SER A 43 8.588 0.632 10.005 1.00 0.00 H new ATOM 641 N MET A 44 7.780 3.972 10.054 1.00 0.00 N ATOM 642 CA MET A 44 8.162 4.829 11.170 1.00 0.00 C ATOM 643 C MET A 44 8.605 3.996 12.369 1.00 0.00 C ATOM 644 O MET A 44 9.792 3.931 12.688 1.00 0.00 O ATOM 645 CB MET A 44 6.995 5.735 11.568 1.00 0.00 C ATOM 646 CG MET A 44 6.058 6.060 10.416 1.00 0.00 C ATOM 647 SD MET A 44 5.239 7.654 10.614 1.00 0.00 S ATOM 648 CE MET A 44 5.449 8.349 8.977 1.00 0.00 C ATOM 0 H MET A 44 6.921 3.443 10.203 1.00 0.00 H new ATOM 0 HA MET A 44 9.000 5.447 10.850 1.00 0.00 H new ATOM 0 HB2 MET A 44 6.426 5.253 12.363 1.00 0.00 H new ATOM 0 HB3 MET A 44 7.391 6.665 11.977 1.00 0.00 H new ATOM 0 HG2 MET A 44 6.622 6.059 9.483 1.00 0.00 H new ATOM 0 HG3 MET A 44 5.305 5.277 10.334 1.00 0.00 H new ATOM 0 HE1 MET A 44 5.594 9.426 9.055 1.00 0.00 H new ATOM 0 HE2 MET A 44 6.320 7.899 8.500 1.00 0.00 H new ATOM 0 HE3 MET A 44 4.561 8.145 8.378 1.00 0.00 H new ATOM 658 N THR A 45 7.642 3.360 13.030 1.00 0.00 N ATOM 659 CA THR A 45 7.933 2.532 14.193 1.00 0.00 C ATOM 660 C THR A 45 6.669 1.864 14.723 1.00 0.00 C ATOM 661 O THR A 45 5.560 2.198 14.309 1.00 0.00 O ATOM 662 CB THR A 45 8.576 3.357 15.324 1.00 0.00 C ATOM 663 OG1 THR A 45 8.945 2.499 16.409 1.00 0.00 O ATOM 664 CG2 THR A 45 7.620 4.431 15.821 1.00 0.00 C ATOM 0 H THR A 45 6.654 3.403 12.779 1.00 0.00 H new ATOM 0 HA THR A 45 8.636 1.766 13.867 1.00 0.00 H new ATOM 0 HB THR A 45 9.468 3.842 14.927 1.00 0.00 H new ATOM 0 HG1 THR A 45 9.354 3.032 17.123 1.00 0.00 H new ATOM 0 HG21 THR A 45 8.096 5.001 16.619 1.00 0.00 H new ATOM 0 HG22 THR A 45 7.366 5.101 14.999 1.00 0.00 H new ATOM 0 HG23 THR A 45 6.712 3.962 16.201 1.00 0.00 H new ATOM 672 N ASN A 46 6.845 0.920 15.642 1.00 0.00 N ATOM 673 CA ASN A 46 5.717 0.205 16.228 1.00 0.00 C ATOM 674 C ASN A 46 4.887 -0.482 15.148 1.00 0.00 C ATOM 675 O ASN A 46 3.675 -0.647 15.292 1.00 0.00 O ATOM 676 CB ASN A 46 4.837 1.168 17.029 1.00 0.00 C ATOM 677 CG ASN A 46 3.615 0.485 17.612 1.00 0.00 C ATOM 678 OD1 ASN A 46 2.482 0.899 17.365 1.00 0.00 O ATOM 679 ND2 ASN A 46 3.840 -0.567 18.390 1.00 0.00 N ATOM 0 H ASN A 46 7.757 0.633 15.997 1.00 0.00 H new ATOM 0 HA ASN A 46 6.112 -0.559 16.898 1.00 0.00 H new ATOM 0 HB2 ASN A 46 5.424 1.607 17.836 1.00 0.00 H new ATOM 0 HB3 ASN A 46 4.519 1.987 16.384 1.00 0.00 H new ATOM 0 HD21 ASN A 46 3.057 -1.067 18.810 1.00 0.00 H new ATOM 0 HD22 ASN A 46 4.796 -0.875 18.567 1.00 0.00 H new ATOM 686 N LEU A 47 5.547 -0.880 14.067 1.00 0.00 N ATOM 687 CA LEU A 47 4.871 -1.551 12.961 1.00 0.00 C ATOM 688 C LEU A 47 4.697 -3.038 13.251 1.00 0.00 C ATOM 689 O LEU A 47 5.649 -3.746 13.582 1.00 0.00 O ATOM 690 CB LEU A 47 5.660 -1.360 11.665 1.00 0.00 C ATOM 691 CG LEU A 47 5.294 -0.132 10.831 1.00 0.00 C ATOM 692 CD1 LEU A 47 5.995 1.106 11.368 1.00 0.00 C ATOM 693 CD2 LEU A 47 5.649 -0.356 9.368 1.00 0.00 C ATOM 0 H LEU A 47 6.550 -0.750 13.932 1.00 0.00 H new ATOM 0 HA LEU A 47 3.883 -1.105 12.846 1.00 0.00 H new ATOM 0 HB2 LEU A 47 6.720 -1.303 11.913 1.00 0.00 H new ATOM 0 HB3 LEU A 47 5.525 -2.248 11.047 1.00 0.00 H new ATOM 0 HG LEU A 47 4.218 0.025 10.903 1.00 0.00 H new ATOM 0 HD11 LEU A 47 5.723 1.970 10.762 1.00 0.00 H new ATOM 0 HD12 LEU A 47 5.691 1.277 12.401 1.00 0.00 H new ATOM 0 HD13 LEU A 47 7.074 0.960 11.327 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.382 0.528 8.789 1.00 0.00 H new ATOM 0 HD22 LEU A 47 6.720 -0.539 9.277 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.100 -1.218 8.988 1.00 0.00 H new ATOM 705 N PRO A 48 3.454 -3.525 13.121 1.00 0.00 N ATOM 706 CA PRO A 48 3.127 -4.934 13.362 1.00 0.00 C ATOM 707 C PRO A 48 3.704 -5.854 12.291 1.00 0.00 C ATOM 708 O PRO A 48 4.106 -5.416 11.213 1.00 0.00 O ATOM 709 CB PRO A 48 1.597 -4.955 13.317 1.00 0.00 C ATOM 710 CG PRO A 48 1.227 -3.787 12.470 1.00 0.00 C ATOM 711 CD PRO A 48 2.273 -2.738 12.730 1.00 0.00 C ATOM 0 HA PRO A 48 3.545 -5.295 14.302 1.00 0.00 H new ATOM 0 HB2 PRO A 48 1.226 -5.887 12.890 1.00 0.00 H new ATOM 0 HB3 PRO A 48 1.170 -4.870 14.316 1.00 0.00 H new ATOM 0 HG2 PRO A 48 1.204 -4.062 11.415 1.00 0.00 H new ATOM 0 HG3 PRO A 48 0.233 -3.419 12.726 1.00 0.00 H new ATOM 0 HD2 PRO A 48 2.467 -2.135 11.843 1.00 0.00 H new ATOM 0 HD3 PRO A 48 1.967 -2.052 13.520 1.00 0.00 H new ATOM 719 N PRO A 49 3.747 -7.160 12.593 1.00 0.00 N ATOM 720 CA PRO A 49 4.273 -8.169 11.669 1.00 0.00 C ATOM 721 C PRO A 49 3.365 -8.378 10.461 1.00 0.00 C ATOM 722 O PRO A 49 2.591 -9.333 10.412 1.00 0.00 O ATOM 723 CB PRO A 49 4.327 -9.438 12.523 1.00 0.00 C ATOM 724 CG PRO A 49 3.296 -9.229 13.578 1.00 0.00 C ATOM 725 CD PRO A 49 3.286 -7.752 13.860 1.00 0.00 C ATOM 0 HA PRO A 49 5.237 -7.877 11.253 1.00 0.00 H new ATOM 0 HB2 PRO A 49 4.110 -10.325 11.928 1.00 0.00 H new ATOM 0 HB3 PRO A 49 5.316 -9.580 12.959 1.00 0.00 H new ATOM 0 HG2 PRO A 49 2.317 -9.568 13.240 1.00 0.00 H new ATOM 0 HG3 PRO A 49 3.537 -9.796 14.477 1.00 0.00 H new ATOM 0 HD2 PRO A 49 2.290 -7.401 14.129 1.00 0.00 H new ATOM 0 HD3 PRO A 49 3.948 -7.496 14.687 1.00 0.00 H new ATOM 733 N VAL A 50 3.466 -7.477 9.488 1.00 0.00 N ATOM 734 CA VAL A 50 2.656 -7.564 8.280 1.00 0.00 C ATOM 735 C VAL A 50 3.465 -8.119 7.113 1.00 0.00 C ATOM 736 O VAL A 50 4.566 -7.648 6.829 1.00 0.00 O ATOM 737 CB VAL A 50 2.087 -6.188 7.886 1.00 0.00 C ATOM 738 CG1 VAL A 50 0.762 -5.936 8.591 1.00 0.00 C ATOM 739 CG2 VAL A 50 3.087 -5.087 8.204 1.00 0.00 C ATOM 0 H VAL A 50 4.101 -6.679 9.514 1.00 0.00 H new ATOM 0 HA VAL A 50 1.831 -8.241 8.501 1.00 0.00 H new ATOM 0 HB VAL A 50 1.906 -6.183 6.811 1.00 0.00 H new ATOM 0 HG11 VAL A 50 0.375 -4.959 8.300 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.047 -6.708 8.308 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.914 -5.960 9.670 1.00 0.00 H new ATOM 0 HG21 VAL A 50 2.668 -4.122 7.919 1.00 0.00 H new ATOM 0 HG22 VAL A 50 3.302 -5.088 9.273 1.00 0.00 H new ATOM 0 HG23 VAL A 50 4.009 -5.261 7.648 1.00 0.00 H new ATOM 749 N ASN A 51 2.912 -9.124 6.441 1.00 0.00 N ATOM 750 CA ASN A 51 3.583 -9.744 5.305 1.00 0.00 C ATOM 751 C ASN A 51 3.138 -9.103 3.994 1.00 0.00 C ATOM 752 O ASN A 51 2.240 -8.262 3.977 1.00 0.00 O ATOM 753 CB ASN A 51 3.296 -11.247 5.274 1.00 0.00 C ATOM 754 CG ASN A 51 1.833 -11.550 5.014 1.00 0.00 C ATOM 755 OD1 ASN A 51 0.975 -10.674 5.131 1.00 0.00 O ATOM 756 ND2 ASN A 51 1.541 -12.796 4.658 1.00 0.00 N ATOM 0 H ASN A 51 2.001 -9.526 6.664 1.00 0.00 H new ATOM 0 HA ASN A 51 4.656 -9.588 5.420 1.00 0.00 H new ATOM 0 HB2 ASN A 51 3.904 -11.715 4.500 1.00 0.00 H new ATOM 0 HB3 ASN A 51 3.593 -11.691 6.224 1.00 0.00 H new ATOM 0 HD21 ASN A 51 0.574 -13.059 4.469 1.00 0.00 H new ATOM 0 HD22 ASN A 51 2.284 -13.490 4.573 1.00 0.00 H new ATOM 763 N GLU A 52 3.773 -9.508 2.898 1.00 0.00 N ATOM 764 CA GLU A 52 3.442 -8.972 1.583 1.00 0.00 C ATOM 765 C GLU A 52 1.943 -9.074 1.315 1.00 0.00 C ATOM 766 O GLU A 52 1.302 -8.094 0.937 1.00 0.00 O ATOM 767 CB GLU A 52 4.218 -9.717 0.494 1.00 0.00 C ATOM 768 CG GLU A 52 5.721 -9.506 0.566 1.00 0.00 C ATOM 769 CD GLU A 52 6.449 -10.091 -0.629 1.00 0.00 C ATOM 770 OE1 GLU A 52 5.808 -10.274 -1.685 1.00 0.00 O ATOM 771 OE2 GLU A 52 7.661 -10.367 -0.507 1.00 0.00 O ATOM 0 H GLU A 52 4.518 -10.204 2.895 1.00 0.00 H new ATOM 0 HA GLU A 52 3.726 -7.920 1.566 1.00 0.00 H new ATOM 0 HB2 GLU A 52 4.005 -10.783 0.572 1.00 0.00 H new ATOM 0 HB3 GLU A 52 3.860 -9.391 -0.483 1.00 0.00 H new ATOM 0 HG2 GLU A 52 5.932 -8.438 0.629 1.00 0.00 H new ATOM 0 HG3 GLU A 52 6.105 -9.961 1.479 1.00 0.00 H new ATOM 778 N GLU A 53 1.393 -10.268 1.514 1.00 0.00 N ATOM 779 CA GLU A 53 -0.030 -10.498 1.292 1.00 0.00 C ATOM 780 C GLU A 53 -0.868 -9.410 1.958 1.00 0.00 C ATOM 781 O GLU A 53 -2.020 -9.182 1.587 1.00 0.00 O ATOM 782 CB GLU A 53 -0.437 -11.871 1.831 1.00 0.00 C ATOM 783 CG GLU A 53 -0.307 -12.989 0.810 1.00 0.00 C ATOM 784 CD GLU A 53 1.129 -13.433 0.612 1.00 0.00 C ATOM 785 OE1 GLU A 53 1.827 -12.826 -0.227 1.00 0.00 O ATOM 786 OE2 GLU A 53 1.554 -14.388 1.294 1.00 0.00 O ATOM 0 H GLU A 53 1.910 -11.089 1.828 1.00 0.00 H new ATOM 0 HA GLU A 53 -0.213 -10.467 0.218 1.00 0.00 H new ATOM 0 HB2 GLU A 53 0.179 -12.109 2.698 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.470 -11.825 2.177 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -0.906 -13.841 1.131 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -0.715 -12.654 -0.144 1.00 0.00 H new ATOM 793 N THR A 54 -0.280 -8.740 2.944 1.00 0.00 N ATOM 794 CA THR A 54 -0.971 -7.677 3.664 1.00 0.00 C ATOM 795 C THR A 54 -1.364 -6.543 2.724 1.00 0.00 C ATOM 796 O THR A 54 -0.582 -6.135 1.865 1.00 0.00 O ATOM 797 CB THR A 54 -0.100 -7.108 4.799 1.00 0.00 C ATOM 798 OG1 THR A 54 0.294 -8.160 5.688 1.00 0.00 O ATOM 799 CG2 THR A 54 -0.852 -6.037 5.574 1.00 0.00 C ATOM 0 H THR A 54 0.673 -8.915 3.262 1.00 0.00 H new ATOM 0 HA THR A 54 -1.870 -8.119 4.093 1.00 0.00 H new ATOM 0 HB THR A 54 0.787 -6.656 4.355 1.00 0.00 H new ATOM 0 HG1 THR A 54 0.817 -8.826 5.195 1.00 0.00 H new ATOM 0 HG21 THR A 54 -0.216 -5.650 6.370 1.00 0.00 H new ATOM 0 HG22 THR A 54 -1.125 -5.225 4.901 1.00 0.00 H new ATOM 0 HG23 THR A 54 -1.755 -6.468 6.007 1.00 0.00 H new ATOM 807 N VAL A 55 -2.582 -6.036 2.892 1.00 0.00 N ATOM 808 CA VAL A 55 -3.078 -4.947 2.060 1.00 0.00 C ATOM 809 C VAL A 55 -2.814 -3.594 2.710 1.00 0.00 C ATOM 810 O VAL A 55 -2.790 -3.477 3.936 1.00 0.00 O ATOM 811 CB VAL A 55 -4.588 -5.089 1.791 1.00 0.00 C ATOM 812 CG1 VAL A 55 -5.060 -4.022 0.816 1.00 0.00 C ATOM 813 CG2 VAL A 55 -4.907 -6.481 1.266 1.00 0.00 C ATOM 0 H VAL A 55 -3.243 -6.363 3.597 1.00 0.00 H new ATOM 0 HA VAL A 55 -2.541 -5.003 1.113 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.121 -4.949 2.731 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.129 -4.139 0.638 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -4.868 -3.035 1.236 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -4.522 -4.127 -0.126 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -5.978 -6.564 1.081 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.364 -6.652 0.336 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -4.607 -7.226 2.004 1.00 0.00 H new ATOM 823 N ILE A 56 -2.618 -2.573 1.882 1.00 0.00 N ATOM 824 CA ILE A 56 -2.357 -1.227 2.377 1.00 0.00 C ATOM 825 C ILE A 56 -3.513 -0.288 2.050 1.00 0.00 C ATOM 826 O ILE A 56 -3.881 -0.120 0.887 1.00 0.00 O ATOM 827 CB ILE A 56 -1.059 -0.651 1.783 1.00 0.00 C ATOM 828 CG1 ILE A 56 0.088 -1.652 1.940 1.00 0.00 C ATOM 829 CG2 ILE A 56 -0.711 0.670 2.453 1.00 0.00 C ATOM 830 CD1 ILE A 56 0.431 -1.957 3.381 1.00 0.00 C ATOM 0 H ILE A 56 -2.635 -2.653 0.865 1.00 0.00 H new ATOM 0 HA ILE A 56 -2.249 -1.304 3.459 1.00 0.00 H new ATOM 0 HB ILE A 56 -1.213 -0.468 0.720 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -0.179 -2.580 1.434 1.00 0.00 H new ATOM 0 HG13 ILE A 56 0.973 -1.259 1.440 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.209 1.065 2.022 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.521 1.382 2.295 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.572 0.510 3.522 1.00 0.00 H new ATOM 0 HD11 ILE A 56 1.252 -2.673 3.416 1.00 0.00 H new ATOM 0 HD12 ILE A 56 0.729 -1.038 3.886 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.441 -2.380 3.881 1.00 0.00 H new ATOM 842 N PHE A 57 -4.082 0.324 3.084 1.00 0.00 N ATOM 843 CA PHE A 57 -5.196 1.248 2.907 1.00 0.00 C ATOM 844 C PHE A 57 -4.704 2.692 2.869 1.00 0.00 C ATOM 845 O PHE A 57 -3.677 3.026 3.459 1.00 0.00 O ATOM 846 CB PHE A 57 -6.215 1.073 4.035 1.00 0.00 C ATOM 847 CG PHE A 57 -7.059 -0.161 3.895 1.00 0.00 C ATOM 848 CD1 PHE A 57 -6.469 -1.406 3.743 1.00 0.00 C ATOM 849 CD2 PHE A 57 -8.442 -0.077 3.916 1.00 0.00 C ATOM 850 CE1 PHE A 57 -7.243 -2.543 3.613 1.00 0.00 C ATOM 851 CE2 PHE A 57 -9.221 -1.212 3.787 1.00 0.00 C ATOM 852 CZ PHE A 57 -8.621 -2.446 3.636 1.00 0.00 C ATOM 0 H PHE A 57 -3.790 0.196 4.053 1.00 0.00 H new ATOM 0 HA PHE A 57 -5.676 1.022 1.955 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -5.687 1.036 4.988 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -6.866 1.947 4.065 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -5.392 -1.488 3.726 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -8.917 0.886 4.034 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -6.771 -3.507 3.493 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -10.298 -1.133 3.804 1.00 0.00 H new ATOM 0 HZ PHE A 57 -9.228 -3.334 3.536 1.00 0.00 H new ATOM 862 N LYS A 58 -5.446 3.545 2.171 1.00 0.00 N ATOM 863 CA LYS A 58 -5.088 4.954 2.055 1.00 0.00 C ATOM 864 C LYS A 58 -5.717 5.769 3.180 1.00 0.00 C ATOM 865 O LYS A 58 -6.521 5.255 3.958 1.00 0.00 O ATOM 866 CB LYS A 58 -5.536 5.505 0.699 1.00 0.00 C ATOM 867 CG LYS A 58 -4.559 5.217 -0.427 1.00 0.00 C ATOM 868 CD LYS A 58 -5.273 5.073 -1.761 1.00 0.00 C ATOM 869 CE LYS A 58 -6.227 6.231 -2.011 1.00 0.00 C ATOM 870 NZ LYS A 58 -6.775 6.209 -3.395 1.00 0.00 N ATOM 0 H LYS A 58 -6.300 3.285 1.677 1.00 0.00 H new ATOM 0 HA LYS A 58 -4.004 5.036 2.133 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -6.506 5.078 0.445 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -5.674 6.583 0.782 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -3.827 6.022 -0.490 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -4.008 4.302 -0.207 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -4.538 5.026 -2.565 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -5.826 4.134 -1.779 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -7.047 6.187 -1.295 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -5.706 7.174 -1.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -6.661 7.147 -3.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -6.263 5.502 -3.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -7.785 5.962 -3.365 1.00 0.00 H new ATOM 884 N SER A 59 -5.346 7.043 3.260 1.00 0.00 N ATOM 885 CA SER A 59 -5.872 7.929 4.292 1.00 0.00 C ATOM 886 C SER A 59 -7.382 8.093 4.149 1.00 0.00 C ATOM 887 O SER A 59 -8.078 8.406 5.115 1.00 0.00 O ATOM 888 CB SER A 59 -5.190 9.296 4.217 1.00 0.00 C ATOM 889 OG SER A 59 -3.782 9.159 4.129 1.00 0.00 O ATOM 0 H SER A 59 -4.683 7.485 2.623 1.00 0.00 H new ATOM 0 HA SER A 59 -5.663 7.480 5.263 1.00 0.00 H new ATOM 0 HB2 SER A 59 -5.560 9.844 3.350 1.00 0.00 H new ATOM 0 HB3 SER A 59 -5.447 9.883 5.099 1.00 0.00 H new ATOM 0 HG SER A 59 -3.369 10.047 4.081 1.00 0.00 H new ATOM 895 N ASP A 60 -7.882 7.878 2.937 1.00 0.00 N ATOM 896 CA ASP A 60 -9.310 8.001 2.666 1.00 0.00 C ATOM 897 C ASP A 60 -10.009 6.653 2.815 1.00 0.00 C ATOM 898 O ASP A 60 -11.098 6.446 2.280 1.00 0.00 O ATOM 899 CB ASP A 60 -9.537 8.555 1.258 1.00 0.00 C ATOM 900 CG ASP A 60 -9.369 10.060 1.195 1.00 0.00 C ATOM 901 OD1 ASP A 60 -10.022 10.765 1.992 1.00 0.00 O ATOM 902 OD2 ASP A 60 -8.583 10.533 0.348 1.00 0.00 O ATOM 0 H ASP A 60 -7.320 7.618 2.127 1.00 0.00 H new ATOM 0 HA ASP A 60 -9.735 8.693 3.393 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -8.836 8.085 0.568 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -10.540 8.290 0.924 1.00 0.00 H new ATOM 907 N ARG A 61 -9.374 5.740 3.543 1.00 0.00 N ATOM 908 CA ARG A 61 -9.934 4.412 3.760 1.00 0.00 C ATOM 909 C ARG A 61 -10.162 3.694 2.433 1.00 0.00 C ATOM 910 O ARG A 61 -11.186 3.041 2.238 1.00 0.00 O ATOM 911 CB ARG A 61 -11.252 4.510 4.531 1.00 0.00 C ATOM 912 CG ARG A 61 -11.126 5.234 5.861 1.00 0.00 C ATOM 913 CD ARG A 61 -12.329 4.973 6.754 1.00 0.00 C ATOM 914 NE ARG A 61 -12.206 3.714 7.484 1.00 0.00 N ATOM 915 CZ ARG A 61 -11.475 3.572 8.584 1.00 0.00 C ATOM 916 NH1 ARG A 61 -10.806 4.605 9.078 1.00 0.00 N ATOM 917 NH2 ARG A 61 -11.412 2.395 9.193 1.00 0.00 N ATOM 0 H ARG A 61 -8.472 5.896 3.992 1.00 0.00 H new ATOM 0 HA ARG A 61 -9.219 3.836 4.347 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -11.987 5.027 3.914 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -11.635 3.505 4.709 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -10.218 4.909 6.369 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -11.028 6.305 5.685 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -12.439 5.794 7.463 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -13.234 4.953 6.147 1.00 0.00 H new ATOM 0 HE ARG A 61 -12.708 2.900 7.130 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -10.852 5.512 8.613 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -10.246 4.493 9.923 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -11.925 1.598 8.817 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -10.850 2.287 10.038 1.00 0.00 H new ATOM 931 N GLN A 62 -9.200 3.822 1.524 1.00 0.00 N ATOM 932 CA GLN A 62 -9.296 3.187 0.216 1.00 0.00 C ATOM 933 C GLN A 62 -8.088 2.294 -0.047 1.00 0.00 C ATOM 934 O GLN A 62 -6.961 2.775 -0.161 1.00 0.00 O ATOM 935 CB GLN A 62 -9.410 4.246 -0.882 1.00 0.00 C ATOM 936 CG GLN A 62 -10.843 4.640 -1.201 1.00 0.00 C ATOM 937 CD GLN A 62 -10.934 5.956 -1.948 1.00 0.00 C ATOM 938 OE1 GLN A 62 -11.505 6.927 -1.451 1.00 0.00 O ATOM 939 NE2 GLN A 62 -10.370 5.996 -3.149 1.00 0.00 N ATOM 0 H GLN A 62 -8.346 4.360 1.670 1.00 0.00 H new ATOM 0 HA GLN A 62 -10.192 2.566 0.208 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -8.857 5.134 -0.577 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -8.935 3.870 -1.788 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -11.307 3.855 -1.798 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -11.411 4.713 -0.273 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -9.907 5.168 -3.523 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -10.400 6.855 -3.698 1.00 0.00 H new ATOM 948 N ALA A 63 -8.331 0.991 -0.140 1.00 0.00 N ATOM 949 CA ALA A 63 -7.263 0.031 -0.391 1.00 0.00 C ATOM 950 C ALA A 63 -6.414 0.453 -1.585 1.00 0.00 C ATOM 951 O ALA A 63 -6.795 0.241 -2.735 1.00 0.00 O ATOM 952 CB ALA A 63 -7.843 -1.357 -0.618 1.00 0.00 C ATOM 0 H ALA A 63 -9.258 0.576 -0.045 1.00 0.00 H new ATOM 0 HA ALA A 63 -6.619 0.004 0.488 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -7.034 -2.063 -0.804 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -8.400 -1.668 0.266 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -8.511 -1.336 -1.479 1.00 0.00 H new ATOM 958 N ALA A 64 -5.261 1.052 -1.303 1.00 0.00 N ATOM 959 CA ALA A 64 -4.358 1.503 -2.354 1.00 0.00 C ATOM 960 C ALA A 64 -3.756 0.320 -3.106 1.00 0.00 C ATOM 961 O ALA A 64 -3.455 0.416 -4.295 1.00 0.00 O ATOM 962 CB ALA A 64 -3.256 2.373 -1.766 1.00 0.00 C ATOM 0 H ALA A 64 -4.931 1.236 -0.356 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.934 2.096 -3.064 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -2.589 2.703 -2.562 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -3.699 3.243 -1.280 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -2.690 1.798 -1.034 1.00 0.00 H new ATOM 968 N GLY A 65 -3.582 -0.795 -2.403 1.00 0.00 N ATOM 969 CA GLY A 65 -3.016 -1.980 -3.020 1.00 0.00 C ATOM 970 C GLY A 65 -2.221 -2.821 -2.041 1.00 0.00 C ATOM 971 O GLY A 65 -1.874 -2.359 -0.954 1.00 0.00 O ATOM 0 H GLY A 65 -3.823 -0.899 -1.417 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -3.819 -2.583 -3.444 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -2.370 -1.682 -3.846 1.00 0.00 H new ATOM 975 N LYS A 66 -1.933 -4.060 -2.425 1.00 0.00 N ATOM 976 CA LYS A 66 -1.175 -4.968 -1.573 1.00 0.00 C ATOM 977 C LYS A 66 0.324 -4.723 -1.715 1.00 0.00 C ATOM 978 O LYS A 66 0.773 -4.106 -2.682 1.00 0.00 O ATOM 979 CB LYS A 66 -1.500 -6.421 -1.926 1.00 0.00 C ATOM 980 CG LYS A 66 -2.663 -6.994 -1.133 1.00 0.00 C ATOM 981 CD LYS A 66 -2.735 -8.506 -1.263 1.00 0.00 C ATOM 982 CE LYS A 66 -4.116 -9.031 -0.902 1.00 0.00 C ATOM 983 NZ LYS A 66 -5.026 -9.053 -2.080 1.00 0.00 N ATOM 0 H LYS A 66 -2.213 -4.458 -3.321 1.00 0.00 H new ATOM 0 HA LYS A 66 -1.460 -4.779 -0.538 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -1.730 -6.485 -2.990 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -0.616 -7.035 -1.753 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -2.557 -6.723 -0.083 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -3.596 -6.553 -1.484 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -2.490 -8.797 -2.285 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -1.989 -8.964 -0.613 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -4.027 -10.038 -0.493 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -4.549 -8.407 -0.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -5.957 -9.417 -1.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -5.132 -8.089 -2.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -4.626 -9.669 -2.816 1.00 0.00 H new ATOM 997 N ILE A 67 1.093 -5.211 -0.748 1.00 0.00 N ATOM 998 CA ILE A 67 2.541 -5.046 -0.767 1.00 0.00 C ATOM 999 C ILE A 67 3.176 -5.890 -1.868 1.00 0.00 C ATOM 1000 O ILE A 67 3.044 -7.114 -1.880 1.00 0.00 O ATOM 1001 CB ILE A 67 3.170 -5.430 0.585 1.00 0.00 C ATOM 1002 CG1 ILE A 67 2.941 -4.319 1.613 1.00 0.00 C ATOM 1003 CG2 ILE A 67 4.657 -5.706 0.419 1.00 0.00 C ATOM 1004 CD1 ILE A 67 2.884 -4.818 3.040 1.00 0.00 C ATOM 0 H ILE A 67 0.737 -5.724 0.059 1.00 0.00 H new ATOM 0 HA ILE A 67 2.735 -3.991 -0.962 1.00 0.00 H new ATOM 0 HB ILE A 67 2.690 -6.339 0.947 1.00 0.00 H new ATOM 0 HG12 ILE A 67 3.741 -3.584 1.526 1.00 0.00 H new ATOM 0 HG13 ILE A 67 2.009 -3.805 1.379 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.087 -5.976 1.384 1.00 0.00 H new ATOM 0 HG22 ILE A 67 4.798 -6.527 -0.284 1.00 0.00 H new ATOM 0 HG23 ILE A 67 5.153 -4.813 0.038 1.00 0.00 H new ATOM 0 HD11 ILE A 67 2.720 -3.977 3.713 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.066 -5.531 3.144 1.00 0.00 H new ATOM 0 HD13 ILE A 67 3.825 -5.306 3.293 1.00 0.00 H new ATOM 1016 N PHE A 68 3.866 -5.227 -2.790 1.00 0.00 N ATOM 1017 CA PHE A 68 4.523 -5.916 -3.895 1.00 0.00 C ATOM 1018 C PHE A 68 5.898 -6.428 -3.476 1.00 0.00 C ATOM 1019 O PHE A 68 6.345 -7.479 -3.933 1.00 0.00 O ATOM 1020 CB PHE A 68 4.658 -4.981 -5.098 1.00 0.00 C ATOM 1021 CG PHE A 68 5.808 -5.328 -6.000 1.00 0.00 C ATOM 1022 CD1 PHE A 68 5.839 -6.540 -6.671 1.00 0.00 C ATOM 1023 CD2 PHE A 68 6.858 -4.441 -6.178 1.00 0.00 C ATOM 1024 CE1 PHE A 68 6.896 -6.862 -7.501 1.00 0.00 C ATOM 1025 CE2 PHE A 68 7.918 -4.757 -7.007 1.00 0.00 C ATOM 1026 CZ PHE A 68 7.936 -5.969 -7.670 1.00 0.00 C ATOM 0 H PHE A 68 3.985 -4.214 -2.794 1.00 0.00 H new ATOM 0 HA PHE A 68 3.907 -6.771 -4.176 1.00 0.00 H new ATOM 0 HB2 PHE A 68 3.733 -5.008 -5.675 1.00 0.00 H new ATOM 0 HB3 PHE A 68 4.782 -3.958 -4.741 1.00 0.00 H new ATOM 0 HD1 PHE A 68 5.028 -7.241 -6.544 1.00 0.00 H new ATOM 0 HD2 PHE A 68 6.848 -3.492 -5.663 1.00 0.00 H new ATOM 0 HE1 PHE A 68 6.909 -7.811 -8.017 1.00 0.00 H new ATOM 0 HE2 PHE A 68 8.731 -4.058 -7.136 1.00 0.00 H new ATOM 0 HZ PHE A 68 8.762 -6.218 -8.320 1.00 0.00 H new ATOM 1036 N GLU A 69 6.563 -5.675 -2.605 1.00 0.00 N ATOM 1037 CA GLU A 69 7.888 -6.052 -2.127 1.00 0.00 C ATOM 1038 C GLU A 69 8.244 -5.288 -0.854 1.00 0.00 C ATOM 1039 O GLU A 69 7.762 -4.178 -0.629 1.00 0.00 O ATOM 1040 CB GLU A 69 8.939 -5.784 -3.206 1.00 0.00 C ATOM 1041 CG GLU A 69 10.365 -6.023 -2.739 1.00 0.00 C ATOM 1042 CD GLU A 69 11.290 -6.428 -3.870 1.00 0.00 C ATOM 1043 OE1 GLU A 69 11.764 -5.531 -4.599 1.00 0.00 O ATOM 1044 OE2 GLU A 69 11.540 -7.641 -4.027 1.00 0.00 O ATOM 0 H GLU A 69 6.206 -4.802 -2.217 1.00 0.00 H new ATOM 0 HA GLU A 69 7.875 -7.118 -1.900 1.00 0.00 H new ATOM 0 HB2 GLU A 69 8.735 -6.422 -4.066 1.00 0.00 H new ATOM 0 HB3 GLU A 69 8.845 -4.752 -3.545 1.00 0.00 H new ATOM 0 HG2 GLU A 69 10.746 -5.116 -2.270 1.00 0.00 H new ATOM 0 HG3 GLU A 69 10.368 -6.802 -1.976 1.00 0.00 H new ATOM 1051 N ILE A 70 9.089 -5.893 -0.026 1.00 0.00 N ATOM 1052 CA ILE A 70 9.510 -5.271 1.223 1.00 0.00 C ATOM 1053 C ILE A 70 11.025 -5.336 1.387 1.00 0.00 C ATOM 1054 O ILE A 70 11.636 -6.388 1.198 1.00 0.00 O ATOM 1055 CB ILE A 70 8.844 -5.942 2.439 1.00 0.00 C ATOM 1056 CG1 ILE A 70 7.321 -5.905 2.299 1.00 0.00 C ATOM 1057 CG2 ILE A 70 9.280 -5.259 3.726 1.00 0.00 C ATOM 1058 CD1 ILE A 70 6.594 -6.639 3.404 1.00 0.00 C ATOM 0 H ILE A 70 9.495 -6.813 -0.198 1.00 0.00 H new ATOM 0 HA ILE A 70 9.197 -4.228 1.177 1.00 0.00 H new ATOM 0 HB ILE A 70 9.161 -6.984 2.479 1.00 0.00 H new ATOM 0 HG12 ILE A 70 6.991 -4.866 2.285 1.00 0.00 H new ATOM 0 HG13 ILE A 70 7.042 -6.341 1.340 1.00 0.00 H new ATOM 0 HG21 ILE A 70 8.801 -5.745 4.576 1.00 0.00 H new ATOM 0 HG22 ILE A 70 10.363 -5.333 3.829 1.00 0.00 H new ATOM 0 HG23 ILE A 70 8.989 -4.209 3.697 1.00 0.00 H new ATOM 0 HD11 ILE A 70 5.519 -6.571 3.240 1.00 0.00 H new ATOM 0 HD12 ILE A 70 6.895 -7.687 3.405 1.00 0.00 H new ATOM 0 HD13 ILE A 70 6.843 -6.189 4.365 1.00 0.00 H new ATOM 1070 N PHE A 71 11.625 -4.205 1.741 1.00 0.00 N ATOM 1071 CA PHE A 71 13.069 -4.133 1.932 1.00 0.00 C ATOM 1072 C PHE A 71 13.420 -3.195 3.084 1.00 0.00 C ATOM 1073 O PHE A 71 12.551 -2.524 3.638 1.00 0.00 O ATOM 1074 CB PHE A 71 13.752 -3.658 0.647 1.00 0.00 C ATOM 1075 CG PHE A 71 13.305 -2.296 0.199 1.00 0.00 C ATOM 1076 CD1 PHE A 71 13.956 -1.157 0.646 1.00 0.00 C ATOM 1077 CD2 PHE A 71 12.234 -2.154 -0.668 1.00 0.00 C ATOM 1078 CE1 PHE A 71 13.548 0.098 0.236 1.00 0.00 C ATOM 1079 CE2 PHE A 71 11.822 -0.902 -1.083 1.00 0.00 C ATOM 1080 CZ PHE A 71 12.479 0.226 -0.629 1.00 0.00 C ATOM 0 H PHE A 71 11.134 -3.325 1.902 1.00 0.00 H new ATOM 0 HA PHE A 71 13.428 -5.132 2.178 1.00 0.00 H new ATOM 0 HB2 PHE A 71 14.831 -3.645 0.802 1.00 0.00 H new ATOM 0 HB3 PHE A 71 13.553 -4.377 -0.148 1.00 0.00 H new ATOM 0 HD1 PHE A 71 14.792 -1.251 1.323 1.00 0.00 H new ATOM 0 HD2 PHE A 71 11.715 -3.032 -1.024 1.00 0.00 H new ATOM 0 HE1 PHE A 71 14.064 0.977 0.591 1.00 0.00 H new ATOM 0 HE2 PHE A 71 10.987 -0.805 -1.762 1.00 0.00 H new ATOM 0 HZ PHE A 71 12.157 1.206 -0.950 1.00 0.00 H new ATOM 1090 N GLY A 72 14.701 -3.156 3.438 1.00 0.00 N ATOM 1091 CA GLY A 72 15.145 -2.299 4.522 1.00 0.00 C ATOM 1092 C GLY A 72 15.430 -3.073 5.793 1.00 0.00 C ATOM 1093 O GLY A 72 15.621 -4.289 5.775 1.00 0.00 O ATOM 0 H GLY A 72 15.439 -3.702 2.994 1.00 0.00 H new ATOM 0 HA2 GLY A 72 16.045 -1.767 4.215 1.00 0.00 H new ATOM 0 HA3 GLY A 72 14.382 -1.546 4.722 1.00 0.00 H new ATOM 1097 N PRO A 73 15.465 -2.361 6.929 1.00 0.00 N ATOM 1098 CA PRO A 73 15.730 -2.968 8.237 1.00 0.00 C ATOM 1099 C PRO A 73 14.580 -3.851 8.710 1.00 0.00 C ATOM 1100 O PRO A 73 13.720 -4.243 7.921 1.00 0.00 O ATOM 1101 CB PRO A 73 15.893 -1.760 9.163 1.00 0.00 C ATOM 1102 CG PRO A 73 15.118 -0.671 8.504 1.00 0.00 C ATOM 1103 CD PRO A 73 15.247 -0.908 7.025 1.00 0.00 C ATOM 0 HA PRO A 73 16.600 -3.624 8.213 1.00 0.00 H new ATOM 0 HB2 PRO A 73 15.509 -1.971 10.161 1.00 0.00 H new ATOM 0 HB3 PRO A 73 16.942 -1.487 9.276 1.00 0.00 H new ATOM 0 HG2 PRO A 73 14.073 -0.694 8.813 1.00 0.00 H new ATOM 0 HG3 PRO A 73 15.510 0.308 8.778 1.00 0.00 H new ATOM 0 HD2 PRO A 73 14.349 -0.600 6.489 1.00 0.00 H new ATOM 0 HD3 PRO A 73 16.080 -0.348 6.600 1.00 0.00 H new ATOM 1111 N VAL A 74 14.571 -4.161 10.003 1.00 0.00 N ATOM 1112 CA VAL A 74 13.525 -4.996 10.581 1.00 0.00 C ATOM 1113 C VAL A 74 12.612 -4.182 11.491 1.00 0.00 C ATOM 1114 O VAL A 74 11.597 -4.681 11.975 1.00 0.00 O ATOM 1115 CB VAL A 74 14.123 -6.166 11.385 1.00 0.00 C ATOM 1116 CG1 VAL A 74 14.779 -5.658 12.660 1.00 0.00 C ATOM 1117 CG2 VAL A 74 13.049 -7.197 11.703 1.00 0.00 C ATOM 0 H VAL A 74 15.276 -3.846 10.669 1.00 0.00 H new ATOM 0 HA VAL A 74 12.942 -5.395 9.751 1.00 0.00 H new ATOM 0 HB VAL A 74 14.889 -6.648 10.778 1.00 0.00 H new ATOM 0 HG11 VAL A 74 15.196 -6.499 13.215 1.00 0.00 H new ATOM 0 HG12 VAL A 74 15.577 -4.960 12.406 1.00 0.00 H new ATOM 0 HG13 VAL A 74 14.035 -5.151 13.275 1.00 0.00 H new ATOM 0 HG21 VAL A 74 13.488 -8.017 12.271 1.00 0.00 H new ATOM 0 HG22 VAL A 74 12.259 -6.730 12.291 1.00 0.00 H new ATOM 0 HG23 VAL A 74 12.629 -7.583 10.774 1.00 0.00 H new ATOM 1127 N ALA A 75 12.981 -2.926 11.719 1.00 0.00 N ATOM 1128 CA ALA A 75 12.193 -2.042 12.569 1.00 0.00 C ATOM 1129 C ALA A 75 11.599 -0.892 11.764 1.00 0.00 C ATOM 1130 O ALA A 75 10.509 -0.406 12.067 1.00 0.00 O ATOM 1131 CB ALA A 75 13.048 -1.505 13.708 1.00 0.00 C ATOM 0 H ALA A 75 13.820 -2.498 11.327 1.00 0.00 H new ATOM 0 HA ALA A 75 11.370 -2.621 12.988 1.00 0.00 H new ATOM 0 HB1 ALA A 75 12.447 -0.846 14.335 1.00 0.00 H new ATOM 0 HB2 ALA A 75 13.420 -2.336 14.307 1.00 0.00 H new ATOM 0 HB3 ALA A 75 13.890 -0.947 13.299 1.00 0.00 H new ATOM 1137 N HIS A 76 12.322 -0.459 10.735 1.00 0.00 N ATOM 1138 CA HIS A 76 11.866 0.634 9.886 1.00 0.00 C ATOM 1139 C HIS A 76 11.982 0.262 8.411 1.00 0.00 C ATOM 1140 O HIS A 76 12.507 1.018 7.594 1.00 0.00 O ATOM 1141 CB HIS A 76 12.675 1.900 10.169 1.00 0.00 C ATOM 1142 CG HIS A 76 12.985 2.101 11.620 1.00 0.00 C ATOM 1143 ND1 HIS A 76 12.010 2.198 12.591 1.00 0.00 N ATOM 1144 CD2 HIS A 76 14.169 2.222 12.264 1.00 0.00 C ATOM 1145 CE1 HIS A 76 12.582 2.371 13.770 1.00 0.00 C ATOM 1146 NE2 HIS A 76 13.891 2.389 13.599 1.00 0.00 N ATOM 0 H HIS A 76 13.226 -0.849 10.470 1.00 0.00 H new ATOM 0 HA HIS A 76 10.817 0.823 10.113 1.00 0.00 H new ATOM 0 HB2 HIS A 76 13.609 1.857 9.609 1.00 0.00 H new ATOM 0 HB3 HIS A 76 12.122 2.764 9.801 1.00 0.00 H new ATOM 0 HD1 HIS A 76 11.005 2.145 12.425 1.00 0.00 H new ATOM 0 HD2 HIS A 76 15.150 2.193 11.813 1.00 0.00 H new ATOM 0 HE1 HIS A 76 12.066 2.479 14.713 1.00 0.00 H new ATOM 1154 N PRO A 77 11.481 -0.933 8.061 1.00 0.00 N ATOM 1155 CA PRO A 77 11.517 -1.433 6.683 1.00 0.00 C ATOM 1156 C PRO A 77 10.580 -0.660 5.761 1.00 0.00 C ATOM 1157 O PRO A 77 9.560 -0.129 6.200 1.00 0.00 O ATOM 1158 CB PRO A 77 11.054 -2.885 6.821 1.00 0.00 C ATOM 1159 CG PRO A 77 10.227 -2.903 8.060 1.00 0.00 C ATOM 1160 CD PRO A 77 10.841 -1.886 8.982 1.00 0.00 C ATOM 0 HA PRO A 77 12.506 -1.327 6.236 1.00 0.00 H new ATOM 0 HB2 PRO A 77 10.474 -3.200 5.953 1.00 0.00 H new ATOM 0 HB3 PRO A 77 11.902 -3.565 6.901 1.00 0.00 H new ATOM 0 HG2 PRO A 77 9.189 -2.654 7.840 1.00 0.00 H new ATOM 0 HG3 PRO A 77 10.228 -3.893 8.515 1.00 0.00 H new ATOM 0 HD2 PRO A 77 10.088 -1.401 9.603 1.00 0.00 H new ATOM 0 HD3 PRO A 77 11.566 -2.341 9.657 1.00 0.00 H new ATOM 1168 N PHE A 78 10.932 -0.602 4.481 1.00 0.00 N ATOM 1169 CA PHE A 78 10.123 0.107 3.497 1.00 0.00 C ATOM 1170 C PHE A 78 9.273 -0.869 2.688 1.00 0.00 C ATOM 1171 O PHE A 78 9.764 -1.895 2.218 1.00 0.00 O ATOM 1172 CB PHE A 78 11.018 0.920 2.559 1.00 0.00 C ATOM 1173 CG PHE A 78 12.158 1.601 3.260 1.00 0.00 C ATOM 1174 CD1 PHE A 78 13.263 0.877 3.678 1.00 0.00 C ATOM 1175 CD2 PHE A 78 12.125 2.965 3.501 1.00 0.00 C ATOM 1176 CE1 PHE A 78 14.315 1.501 4.323 1.00 0.00 C ATOM 1177 CE2 PHE A 78 13.173 3.594 4.145 1.00 0.00 C ATOM 1178 CZ PHE A 78 14.269 2.861 4.558 1.00 0.00 C ATOM 0 H PHE A 78 11.772 -1.038 4.101 1.00 0.00 H new ATOM 0 HA PHE A 78 9.458 0.785 4.031 1.00 0.00 H new ATOM 0 HB2 PHE A 78 11.418 0.260 1.789 1.00 0.00 H new ATOM 0 HB3 PHE A 78 10.412 1.671 2.052 1.00 0.00 H new ATOM 0 HD1 PHE A 78 13.303 -0.187 3.498 1.00 0.00 H new ATOM 0 HD2 PHE A 78 11.270 3.543 3.182 1.00 0.00 H new ATOM 0 HE1 PHE A 78 15.171 0.926 4.642 1.00 0.00 H new ATOM 0 HE2 PHE A 78 13.136 4.658 4.326 1.00 0.00 H new ATOM 0 HZ PHE A 78 15.088 3.351 5.064 1.00 0.00 H new ATOM 1188 N TYR A 79 7.995 -0.541 2.531 1.00 0.00 N ATOM 1189 CA TYR A 79 7.075 -1.389 1.782 1.00 0.00 C ATOM 1190 C TYR A 79 6.804 -0.808 0.397 1.00 0.00 C ATOM 1191 O TYR A 79 6.763 0.409 0.219 1.00 0.00 O ATOM 1192 CB TYR A 79 5.760 -1.550 2.546 1.00 0.00 C ATOM 1193 CG TYR A 79 5.938 -2.075 3.953 1.00 0.00 C ATOM 1194 CD1 TYR A 79 6.336 -1.234 4.984 1.00 0.00 C ATOM 1195 CD2 TYR A 79 5.706 -3.412 4.251 1.00 0.00 C ATOM 1196 CE1 TYR A 79 6.501 -1.709 6.271 1.00 0.00 C ATOM 1197 CE2 TYR A 79 5.866 -3.896 5.535 1.00 0.00 C ATOM 1198 CZ TYR A 79 6.264 -3.041 6.541 1.00 0.00 C ATOM 1199 OH TYR A 79 6.425 -3.518 7.822 1.00 0.00 O ATOM 0 H TYR A 79 7.573 0.306 2.912 1.00 0.00 H new ATOM 0 HA TYR A 79 7.539 -2.368 1.661 1.00 0.00 H new ATOM 0 HB2 TYR A 79 5.254 -0.586 2.588 1.00 0.00 H new ATOM 0 HB3 TYR A 79 5.109 -2.228 1.994 1.00 0.00 H new ATOM 0 HD1 TYR A 79 6.520 -0.190 4.776 1.00 0.00 H new ATOM 0 HD2 TYR A 79 5.395 -4.085 3.465 1.00 0.00 H new ATOM 0 HE1 TYR A 79 6.814 -1.042 7.061 1.00 0.00 H new ATOM 0 HE2 TYR A 79 5.680 -4.938 5.750 1.00 0.00 H new ATOM 0 HH TYR A 79 6.217 -4.476 7.843 1.00 0.00 H new ATOM 1209 N VAL A 80 6.619 -1.689 -0.581 1.00 0.00 N ATOM 1210 CA VAL A 80 6.349 -1.266 -1.950 1.00 0.00 C ATOM 1211 C VAL A 80 4.924 -1.616 -2.363 1.00 0.00 C ATOM 1212 O VAL A 80 4.388 -2.653 -1.968 1.00 0.00 O ATOM 1213 CB VAL A 80 7.334 -1.915 -2.942 1.00 0.00 C ATOM 1214 CG1 VAL A 80 7.200 -1.281 -4.318 1.00 0.00 C ATOM 1215 CG2 VAL A 80 8.761 -1.799 -2.428 1.00 0.00 C ATOM 0 H VAL A 80 6.651 -2.700 -0.451 1.00 0.00 H new ATOM 0 HA VAL A 80 6.476 -0.184 -1.978 1.00 0.00 H new ATOM 0 HB VAL A 80 7.090 -2.974 -3.031 1.00 0.00 H new ATOM 0 HG11 VAL A 80 7.903 -1.752 -5.005 1.00 0.00 H new ATOM 0 HG12 VAL A 80 6.184 -1.421 -4.686 1.00 0.00 H new ATOM 0 HG13 VAL A 80 7.417 -0.215 -4.250 1.00 0.00 H new ATOM 0 HG21 VAL A 80 9.443 -2.262 -3.141 1.00 0.00 H new ATOM 0 HG22 VAL A 80 9.020 -0.747 -2.309 1.00 0.00 H new ATOM 0 HG23 VAL A 80 8.843 -2.304 -1.466 1.00 0.00 H new ATOM 1225 N LEU A 81 4.315 -0.746 -3.160 1.00 0.00 N ATOM 1226 CA LEU A 81 2.950 -0.962 -3.628 1.00 0.00 C ATOM 1227 C LEU A 81 2.935 -1.331 -5.109 1.00 0.00 C ATOM 1228 O LEU A 81 3.744 -0.833 -5.891 1.00 0.00 O ATOM 1229 CB LEU A 81 2.105 0.290 -3.394 1.00 0.00 C ATOM 1230 CG LEU A 81 1.461 0.417 -2.013 1.00 0.00 C ATOM 1231 CD1 LEU A 81 0.406 1.513 -2.013 1.00 0.00 C ATOM 1232 CD2 LEU A 81 0.852 -0.911 -1.585 1.00 0.00 C ATOM 0 H LEU A 81 4.744 0.116 -3.496 1.00 0.00 H new ATOM 0 HA LEU A 81 2.524 -1.790 -3.061 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.734 1.165 -3.561 1.00 0.00 H new ATOM 0 HB3 LEU A 81 1.315 0.317 -4.145 1.00 0.00 H new ATOM 0 HG LEU A 81 2.236 0.688 -1.296 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -0.041 1.588 -1.022 1.00 0.00 H new ATOM 0 HD12 LEU A 81 0.869 2.464 -2.275 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -0.368 1.273 -2.742 1.00 0.00 H new ATOM 0 HD21 LEU A 81 0.398 -0.802 -0.600 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.090 -1.211 -2.305 1.00 0.00 H new ATOM 0 HD23 LEU A 81 1.631 -1.672 -1.544 1.00 0.00 H new ATOM 1244 N ARG A 82 2.006 -2.204 -5.486 1.00 0.00 N ATOM 1245 CA ARG A 82 1.884 -2.638 -6.873 1.00 0.00 C ATOM 1246 C ARG A 82 1.060 -1.642 -7.683 1.00 0.00 C ATOM 1247 O ARG A 82 0.080 -1.083 -7.190 1.00 0.00 O ATOM 1248 CB ARG A 82 1.240 -4.023 -6.941 1.00 0.00 C ATOM 1249 CG ARG A 82 1.124 -4.572 -8.353 1.00 0.00 C ATOM 1250 CD ARG A 82 2.476 -5.013 -8.893 1.00 0.00 C ATOM 1251 NE ARG A 82 2.345 -5.836 -10.092 1.00 0.00 N ATOM 1252 CZ ARG A 82 2.198 -5.336 -11.314 1.00 0.00 C ATOM 1253 NH1 ARG A 82 2.163 -4.024 -11.497 1.00 0.00 N ATOM 1254 NH2 ARG A 82 2.085 -6.150 -12.356 1.00 0.00 N ATOM 0 H ARG A 82 1.327 -2.624 -4.851 1.00 0.00 H new ATOM 0 HA ARG A 82 2.885 -2.689 -7.301 1.00 0.00 H new ATOM 0 HB2 ARG A 82 1.826 -4.717 -6.338 1.00 0.00 H new ATOM 0 HB3 ARG A 82 0.246 -3.974 -6.496 1.00 0.00 H new ATOM 0 HG2 ARG A 82 0.435 -5.417 -8.361 1.00 0.00 H new ATOM 0 HG3 ARG A 82 0.701 -3.810 -9.007 1.00 0.00 H new ATOM 0 HD2 ARG A 82 3.079 -4.134 -9.121 1.00 0.00 H new ATOM 0 HD3 ARG A 82 3.008 -5.574 -8.125 1.00 0.00 H new ATOM 0 HE ARG A 82 2.368 -6.850 -9.986 1.00 0.00 H new ATOM 0 HH11 ARG A 82 2.249 -3.395 -10.698 1.00 0.00 H new ATOM 0 HH12 ARG A 82 2.050 -3.643 -12.436 1.00 0.00 H new ATOM 0 HH21 ARG A 82 2.111 -7.160 -12.219 1.00 0.00 H new ATOM 0 HH22 ARG A 82 1.972 -5.765 -13.294 1.00 0.00 H new ATOM 1268 N PHE A 83 1.465 -1.423 -8.930 1.00 0.00 N ATOM 1269 CA PHE A 83 0.766 -0.493 -9.809 1.00 0.00 C ATOM 1270 C PHE A 83 1.208 -0.678 -11.258 1.00 0.00 C ATOM 1271 O PHE A 83 2.212 -1.332 -11.533 1.00 0.00 O ATOM 1272 CB PHE A 83 1.019 0.949 -9.366 1.00 0.00 C ATOM 1273 CG PHE A 83 0.270 1.335 -8.123 1.00 0.00 C ATOM 1274 CD1 PHE A 83 -1.110 1.465 -8.142 1.00 0.00 C ATOM 1275 CD2 PHE A 83 0.945 1.569 -6.936 1.00 0.00 C ATOM 1276 CE1 PHE A 83 -1.802 1.820 -7.000 1.00 0.00 C ATOM 1277 CE2 PHE A 83 0.257 1.923 -5.791 1.00 0.00 C ATOM 1278 CZ PHE A 83 -1.118 2.050 -5.823 1.00 0.00 C ATOM 0 H PHE A 83 2.274 -1.877 -9.354 1.00 0.00 H new ATOM 0 HA PHE A 83 -0.302 -0.703 -9.744 1.00 0.00 H new ATOM 0 HB2 PHE A 83 2.087 1.086 -9.194 1.00 0.00 H new ATOM 0 HB3 PHE A 83 0.737 1.624 -10.174 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -1.650 1.287 -9.060 1.00 0.00 H new ATOM 0 HD2 PHE A 83 2.020 1.474 -6.905 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -2.877 1.917 -7.028 1.00 0.00 H new ATOM 0 HE2 PHE A 83 0.794 2.100 -4.871 1.00 0.00 H new ATOM 0 HZ PHE A 83 -1.657 2.329 -4.929 1.00 0.00 H new ATOM 1288 N ASN A 84 0.449 -0.095 -12.181 1.00 0.00 N ATOM 1289 CA ASN A 84 0.761 -0.195 -13.602 1.00 0.00 C ATOM 1290 C ASN A 84 1.779 0.865 -14.011 1.00 0.00 C ATOM 1291 O ASN A 84 2.741 0.574 -14.722 1.00 0.00 O ATOM 1292 CB ASN A 84 -0.512 -0.045 -14.437 1.00 0.00 C ATOM 1293 CG ASN A 84 -1.191 -1.375 -14.700 1.00 0.00 C ATOM 1294 OD1 ASN A 84 -0.529 -2.397 -14.882 1.00 0.00 O ATOM 1295 ND2 ASN A 84 -2.519 -1.368 -14.722 1.00 0.00 N ATOM 0 H ASN A 84 -0.386 0.451 -11.970 1.00 0.00 H new ATOM 0 HA ASN A 84 1.193 -1.179 -13.785 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -1.206 0.618 -13.921 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -0.266 0.429 -15.387 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -3.031 -2.233 -14.895 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -3.027 -0.497 -14.566 1.00 0.00 H new ATOM 1302 N SER A 85 1.560 2.095 -13.558 1.00 0.00 N ATOM 1303 CA SER A 85 2.456 3.199 -13.879 1.00 0.00 C ATOM 1304 C SER A 85 2.065 4.458 -13.110 1.00 0.00 C ATOM 1305 O SER A 85 1.006 4.512 -12.484 1.00 0.00 O ATOM 1306 CB SER A 85 2.435 3.480 -15.383 1.00 0.00 C ATOM 1307 OG SER A 85 1.127 3.799 -15.824 1.00 0.00 O ATOM 0 H SER A 85 0.769 2.352 -12.967 1.00 0.00 H new ATOM 0 HA SER A 85 3.465 2.912 -13.584 1.00 0.00 H new ATOM 0 HB2 SER A 85 3.110 4.304 -15.612 1.00 0.00 H new ATOM 0 HB3 SER A 85 2.802 2.608 -15.924 1.00 0.00 H new ATOM 0 HG SER A 85 1.141 3.976 -16.788 1.00 0.00 H new ATOM 1313 N SER A 86 2.927 5.468 -13.163 1.00 0.00 N ATOM 1314 CA SER A 86 2.675 6.725 -12.469 1.00 0.00 C ATOM 1315 C SER A 86 1.188 7.068 -12.489 1.00 0.00 C ATOM 1316 O SER A 86 0.613 7.444 -11.467 1.00 0.00 O ATOM 1317 CB SER A 86 3.479 7.857 -13.111 1.00 0.00 C ATOM 1318 OG SER A 86 3.050 8.098 -14.439 1.00 0.00 O ATOM 0 H SER A 86 3.806 5.440 -13.679 1.00 0.00 H new ATOM 0 HA SER A 86 2.990 6.608 -11.432 1.00 0.00 H new ATOM 0 HB2 SER A 86 3.369 8.766 -12.520 1.00 0.00 H new ATOM 0 HB3 SER A 86 4.539 7.601 -13.109 1.00 0.00 H new ATOM 0 HG SER A 86 3.578 8.827 -14.826 1.00 0.00 H new ATOM 1324 N ASP A 87 0.573 6.936 -13.659 1.00 0.00 N ATOM 1325 CA ASP A 87 -0.847 7.230 -13.813 1.00 0.00 C ATOM 1326 C ASP A 87 -1.669 6.519 -12.744 1.00 0.00 C ATOM 1327 O ASP A 87 -2.397 7.155 -11.980 1.00 0.00 O ATOM 1328 CB ASP A 87 -1.327 6.814 -15.204 1.00 0.00 C ATOM 1329 CG ASP A 87 -2.469 7.676 -15.705 1.00 0.00 C ATOM 1330 OD1 ASP A 87 -2.193 8.709 -16.351 1.00 0.00 O ATOM 1331 OD2 ASP A 87 -3.639 7.320 -15.450 1.00 0.00 O ATOM 0 H ASP A 87 1.035 6.627 -14.514 1.00 0.00 H new ATOM 0 HA ASP A 87 -0.985 8.305 -13.695 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -0.495 6.875 -15.905 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -1.646 5.772 -15.178 1.00 0.00 H new ATOM 1336 N HIS A 88 -1.550 5.196 -12.695 1.00 0.00 N ATOM 1337 CA HIS A 88 -2.282 4.397 -11.718 1.00 0.00 C ATOM 1338 C HIS A 88 -2.193 5.022 -10.329 1.00 0.00 C ATOM 1339 O HIS A 88 -3.190 5.106 -9.611 1.00 0.00 O ATOM 1340 CB HIS A 88 -1.738 2.969 -11.685 1.00 0.00 C ATOM 1341 CG HIS A 88 -2.698 1.976 -11.105 1.00 0.00 C ATOM 1342 ND1 HIS A 88 -2.713 0.645 -11.466 1.00 0.00 N ATOM 1343 CD2 HIS A 88 -3.677 2.126 -10.183 1.00 0.00 C ATOM 1344 CE1 HIS A 88 -3.662 0.020 -10.792 1.00 0.00 C ATOM 1345 NE2 HIS A 88 -4.262 0.896 -10.006 1.00 0.00 N ATOM 0 H HIS A 88 -0.954 4.654 -13.320 1.00 0.00 H new ATOM 0 HA HIS A 88 -3.330 4.371 -12.018 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -1.480 2.663 -12.699 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -0.816 2.953 -11.104 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -3.948 3.042 -9.680 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -3.906 -1.029 -10.870 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -5.034 0.692 -9.371 1.00 0.00 H new ATOM 1353 N ILE A 89 -0.994 5.457 -9.958 1.00 0.00 N ATOM 1354 CA ILE A 89 -0.775 6.073 -8.655 1.00 0.00 C ATOM 1355 C ILE A 89 -1.495 7.414 -8.553 1.00 0.00 C ATOM 1356 O ILE A 89 -2.356 7.603 -7.694 1.00 0.00 O ATOM 1357 CB ILE A 89 0.725 6.286 -8.377 1.00 0.00 C ATOM 1358 CG1 ILE A 89 1.457 4.943 -8.352 1.00 0.00 C ATOM 1359 CG2 ILE A 89 0.920 7.027 -7.063 1.00 0.00 C ATOM 1360 CD1 ILE A 89 1.859 4.448 -9.724 1.00 0.00 C ATOM 0 H ILE A 89 -0.159 5.394 -10.541 1.00 0.00 H new ATOM 0 HA ILE A 89 -1.180 5.388 -7.910 1.00 0.00 H new ATOM 0 HB ILE A 89 1.146 6.892 -9.179 1.00 0.00 H new ATOM 0 HG12 ILE A 89 2.349 5.036 -7.733 1.00 0.00 H new ATOM 0 HG13 ILE A 89 0.817 4.198 -7.879 1.00 0.00 H new ATOM 0 HG21 ILE A 89 1.985 7.170 -6.880 1.00 0.00 H new ATOM 0 HG22 ILE A 89 0.427 7.998 -7.116 1.00 0.00 H new ATOM 0 HG23 ILE A 89 0.487 6.445 -6.249 1.00 0.00 H new ATOM 0 HD11 ILE A 89 2.373 3.491 -9.630 1.00 0.00 H new ATOM 0 HD12 ILE A 89 0.969 4.322 -10.341 1.00 0.00 H new ATOM 0 HD13 ILE A 89 2.525 5.173 -10.192 1.00 0.00 H new ATOM 1372 N GLU A 90 -1.137 8.340 -9.437 1.00 0.00 N ATOM 1373 CA GLU A 90 -1.751 9.663 -9.447 1.00 0.00 C ATOM 1374 C GLU A 90 -3.234 9.577 -9.101 1.00 0.00 C ATOM 1375 O GLU A 90 -3.722 10.297 -8.230 1.00 0.00 O ATOM 1376 CB GLU A 90 -1.572 10.322 -10.816 1.00 0.00 C ATOM 1377 CG GLU A 90 -0.242 11.038 -10.978 1.00 0.00 C ATOM 1378 CD GLU A 90 -0.214 11.949 -12.190 1.00 0.00 C ATOM 1379 OE1 GLU A 90 -0.658 13.110 -12.070 1.00 0.00 O ATOM 1380 OE2 GLU A 90 0.253 11.501 -13.258 1.00 0.00 O ATOM 0 H GLU A 90 -0.426 8.199 -10.155 1.00 0.00 H new ATOM 0 HA GLU A 90 -1.255 10.272 -8.691 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -1.662 9.561 -11.591 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -2.381 11.035 -10.975 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -0.038 11.625 -10.082 1.00 0.00 H new ATOM 0 HG3 GLU A 90 0.556 10.300 -11.064 1.00 0.00 H new ATOM 1387 N SER A 91 -3.947 8.692 -9.790 1.00 0.00 N ATOM 1388 CA SER A 91 -5.376 8.514 -9.560 1.00 0.00 C ATOM 1389 C SER A 91 -5.662 8.279 -8.080 1.00 0.00 C ATOM 1390 O SER A 91 -6.485 8.968 -7.477 1.00 0.00 O ATOM 1391 CB SER A 91 -5.905 7.341 -10.386 1.00 0.00 C ATOM 1392 OG SER A 91 -7.263 7.538 -10.740 1.00 0.00 O ATOM 0 H SER A 91 -3.558 8.086 -10.513 1.00 0.00 H new ATOM 0 HA SER A 91 -5.886 9.426 -9.871 1.00 0.00 H new ATOM 0 HB2 SER A 91 -5.304 7.227 -11.288 1.00 0.00 H new ATOM 0 HB3 SER A 91 -5.805 6.417 -9.817 1.00 0.00 H new ATOM 0 HG SER A 91 -7.577 6.775 -11.269 1.00 0.00 H new ATOM 1398 N LYS A 92 -4.977 7.300 -7.500 1.00 0.00 N ATOM 1399 CA LYS A 92 -5.154 6.972 -6.090 1.00 0.00 C ATOM 1400 C LYS A 92 -4.900 8.192 -5.211 1.00 0.00 C ATOM 1401 O LYS A 92 -5.435 8.297 -4.109 1.00 0.00 O ATOM 1402 CB LYS A 92 -4.213 5.835 -5.687 1.00 0.00 C ATOM 1403 CG LYS A 92 -4.410 4.566 -6.498 1.00 0.00 C ATOM 1404 CD LYS A 92 -5.724 3.884 -6.157 1.00 0.00 C ATOM 1405 CE LYS A 92 -5.655 2.385 -6.403 1.00 0.00 C ATOM 1406 NZ LYS A 92 -6.894 1.691 -5.954 1.00 0.00 N ATOM 0 H LYS A 92 -4.293 6.719 -7.985 1.00 0.00 H new ATOM 0 HA LYS A 92 -6.185 6.650 -5.945 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -3.182 6.171 -5.799 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -4.362 5.608 -4.631 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -4.389 4.806 -7.561 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -3.584 3.881 -6.309 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -5.972 4.071 -5.112 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -6.525 4.316 -6.757 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -5.499 2.198 -7.465 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -4.795 1.970 -5.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -6.807 0.671 -6.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -7.030 1.848 -4.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -7.711 2.069 -6.474 1.00 0.00 H new ATOM 1420 N GLY A 93 -4.080 9.113 -5.708 1.00 0.00 N ATOM 1421 CA GLY A 93 -3.770 10.315 -4.955 1.00 0.00 C ATOM 1422 C GLY A 93 -2.534 10.156 -4.092 1.00 0.00 C ATOM 1423 O GLY A 93 -2.101 11.104 -3.436 1.00 0.00 O ATOM 0 H GLY A 93 -3.625 9.048 -6.618 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -3.623 11.145 -5.646 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -4.620 10.573 -4.323 1.00 0.00 H new ATOM 1427 N ILE A 94 -1.965 8.955 -4.092 1.00 0.00 N ATOM 1428 CA ILE A 94 -0.772 8.676 -3.302 1.00 0.00 C ATOM 1429 C ILE A 94 0.434 9.437 -3.841 1.00 0.00 C ATOM 1430 O ILE A 94 0.673 9.471 -5.049 1.00 0.00 O ATOM 1431 CB ILE A 94 -0.448 7.170 -3.285 1.00 0.00 C ATOM 1432 CG1 ILE A 94 -1.695 6.363 -2.915 1.00 0.00 C ATOM 1433 CG2 ILE A 94 0.684 6.883 -2.310 1.00 0.00 C ATOM 1434 CD1 ILE A 94 -1.692 4.958 -3.475 1.00 0.00 C ATOM 0 H ILE A 94 -2.311 8.160 -4.630 1.00 0.00 H new ATOM 0 HA ILE A 94 -0.983 9.006 -2.285 1.00 0.00 H new ATOM 0 HB ILE A 94 -0.127 6.870 -4.283 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -1.777 6.313 -1.829 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -2.579 6.888 -3.277 1.00 0.00 H new ATOM 0 HG21 ILE A 94 0.901 5.815 -2.309 1.00 0.00 H new ATOM 0 HG22 ILE A 94 1.574 7.434 -2.613 1.00 0.00 H new ATOM 0 HG23 ILE A 94 0.389 7.194 -1.308 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -2.605 4.444 -3.174 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -1.642 5.000 -4.563 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -0.827 4.416 -3.093 1.00 0.00 H new ATOM 1446 N LYS A 95 1.194 10.047 -2.938 1.00 0.00 N ATOM 1447 CA LYS A 95 2.378 10.806 -3.320 1.00 0.00 C ATOM 1448 C LYS A 95 3.305 11.007 -2.125 1.00 0.00 C ATOM 1449 O LYS A 95 2.978 10.622 -1.003 1.00 0.00 O ATOM 1450 CB LYS A 95 1.974 12.164 -3.900 1.00 0.00 C ATOM 1451 CG LYS A 95 0.919 12.885 -3.080 1.00 0.00 C ATOM 1452 CD LYS A 95 1.508 13.482 -1.813 1.00 0.00 C ATOM 1453 CE LYS A 95 0.669 14.643 -1.302 1.00 0.00 C ATOM 1454 NZ LYS A 95 0.647 15.779 -2.265 1.00 0.00 N ATOM 0 H LYS A 95 1.010 10.030 -1.935 1.00 0.00 H new ATOM 0 HA LYS A 95 2.913 10.238 -4.081 1.00 0.00 H new ATOM 0 HB2 LYS A 95 2.859 12.796 -3.974 1.00 0.00 H new ATOM 0 HB3 LYS A 95 1.599 12.020 -4.913 1.00 0.00 H new ATOM 0 HG2 LYS A 95 0.468 13.675 -3.680 1.00 0.00 H new ATOM 0 HG3 LYS A 95 0.122 12.189 -2.819 1.00 0.00 H new ATOM 0 HD2 LYS A 95 1.574 12.713 -1.044 1.00 0.00 H new ATOM 0 HD3 LYS A 95 2.524 13.824 -2.009 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -0.350 14.302 -1.120 1.00 0.00 H new ATOM 0 HE3 LYS A 95 1.066 14.985 -0.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 0.992 16.640 -1.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 1.260 15.558 -3.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -0.326 15.933 -2.598 1.00 0.00 H new ATOM 1468 N ILE A 96 4.461 11.613 -2.374 1.00 0.00 N ATOM 1469 CA ILE A 96 5.433 11.867 -1.318 1.00 0.00 C ATOM 1470 C ILE A 96 4.798 12.626 -0.158 1.00 0.00 C ATOM 1471 O ILE A 96 3.953 13.498 -0.360 1.00 0.00 O ATOM 1472 CB ILE A 96 6.638 12.669 -1.843 1.00 0.00 C ATOM 1473 CG1 ILE A 96 7.286 11.944 -3.024 1.00 0.00 C ATOM 1474 CG2 ILE A 96 7.652 12.892 -0.730 1.00 0.00 C ATOM 1475 CD1 ILE A 96 8.087 10.726 -2.619 1.00 0.00 C ATOM 0 H ILE A 96 4.747 11.937 -3.298 1.00 0.00 H new ATOM 0 HA ILE A 96 5.779 10.895 -0.967 1.00 0.00 H new ATOM 0 HB ILE A 96 6.286 13.641 -2.187 1.00 0.00 H new ATOM 0 HG12 ILE A 96 6.508 11.641 -3.725 1.00 0.00 H new ATOM 0 HG13 ILE A 96 7.939 12.639 -3.553 1.00 0.00 H new ATOM 0 HG21 ILE A 96 8.498 13.460 -1.117 1.00 0.00 H new ATOM 0 HG22 ILE A 96 7.184 13.447 0.083 1.00 0.00 H new ATOM 0 HG23 ILE A 96 8.002 11.929 -0.358 1.00 0.00 H new ATOM 0 HD11 ILE A 96 8.517 10.262 -3.506 1.00 0.00 H new ATOM 0 HD12 ILE A 96 8.887 11.025 -1.942 1.00 0.00 H new ATOM 0 HD13 ILE A 96 7.434 10.012 -2.117 1.00 0.00 H new ATOM 1487 N LYS A 97 5.212 12.290 1.059 1.00 0.00 N ATOM 1488 CA LYS A 97 4.687 12.940 2.254 1.00 0.00 C ATOM 1489 C LYS A 97 3.234 12.544 2.496 1.00 0.00 C ATOM 1490 O LYS A 97 2.405 13.379 2.855 1.00 0.00 O ATOM 1491 CB LYS A 97 4.795 14.461 2.120 1.00 0.00 C ATOM 1492 CG LYS A 97 6.163 14.935 1.659 1.00 0.00 C ATOM 1493 CD LYS A 97 7.139 15.033 2.819 1.00 0.00 C ATOM 1494 CE LYS A 97 8.581 14.953 2.342 1.00 0.00 C ATOM 1495 NZ LYS A 97 9.115 16.290 1.962 1.00 0.00 N ATOM 0 H LYS A 97 5.911 11.570 1.244 1.00 0.00 H new ATOM 0 HA LYS A 97 5.282 12.612 3.107 1.00 0.00 H new ATOM 0 HB2 LYS A 97 4.042 14.810 1.413 1.00 0.00 H new ATOM 0 HB3 LYS A 97 4.566 14.919 3.082 1.00 0.00 H new ATOM 0 HG2 LYS A 97 6.554 14.246 0.910 1.00 0.00 H new ATOM 0 HG3 LYS A 97 6.069 15.909 1.178 1.00 0.00 H new ATOM 0 HD2 LYS A 97 6.982 15.972 3.350 1.00 0.00 H new ATOM 0 HD3 LYS A 97 6.944 14.229 3.529 1.00 0.00 H new ATOM 0 HE2 LYS A 97 9.201 14.525 3.130 1.00 0.00 H new ATOM 0 HE3 LYS A 97 8.644 14.280 1.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 10.100 16.192 1.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 8.539 16.688 1.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 9.079 16.925 2.785 1.00 0.00 H new ATOM 1509 N GLU A 98 2.934 11.264 2.297 1.00 0.00 N ATOM 1510 CA GLU A 98 1.581 10.757 2.495 1.00 0.00 C ATOM 1511 C GLU A 98 1.580 9.563 3.445 1.00 0.00 C ATOM 1512 O GLU A 98 2.031 8.473 3.091 1.00 0.00 O ATOM 1513 CB GLU A 98 0.961 10.357 1.155 1.00 0.00 C ATOM 1514 CG GLU A 98 -0.552 10.223 1.200 1.00 0.00 C ATOM 1515 CD GLU A 98 -1.003 8.821 1.561 1.00 0.00 C ATOM 1516 OE1 GLU A 98 -0.654 8.351 2.663 1.00 0.00 O ATOM 1517 OE2 GLU A 98 -1.705 8.195 0.740 1.00 0.00 O ATOM 0 H GLU A 98 3.609 10.560 1.999 1.00 0.00 H new ATOM 0 HA GLU A 98 0.984 11.553 2.940 1.00 0.00 H new ATOM 0 HB2 GLU A 98 1.229 11.100 0.404 1.00 0.00 H new ATOM 0 HB3 GLU A 98 1.392 9.409 0.834 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -0.954 10.928 1.927 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -0.966 10.495 0.229 1.00 0.00 H new ATOM 1524 N THR A 99 1.071 9.776 4.654 1.00 0.00 N ATOM 1525 CA THR A 99 1.013 8.719 5.656 1.00 0.00 C ATOM 1526 C THR A 99 -0.058 7.691 5.310 1.00 0.00 C ATOM 1527 O THR A 99 -1.228 8.034 5.137 1.00 0.00 O ATOM 1528 CB THR A 99 0.726 9.289 7.058 1.00 0.00 C ATOM 1529 OG1 THR A 99 1.679 10.309 7.376 1.00 0.00 O ATOM 1530 CG2 THR A 99 0.780 8.192 8.110 1.00 0.00 C ATOM 0 H THR A 99 0.693 10.671 4.963 1.00 0.00 H new ATOM 0 HA THR A 99 1.990 8.235 5.661 1.00 0.00 H new ATOM 0 HB THR A 99 -0.276 9.717 7.054 1.00 0.00 H new ATOM 0 HG1 THR A 99 1.489 10.668 8.268 1.00 0.00 H new ATOM 0 HG21 THR A 99 0.574 8.619 9.092 1.00 0.00 H new ATOM 0 HG22 THR A 99 0.033 7.431 7.881 1.00 0.00 H new ATOM 0 HG23 THR A 99 1.771 7.738 8.112 1.00 0.00 H new ATOM 1538 N MET A 100 0.349 6.430 5.210 1.00 0.00 N ATOM 1539 CA MET A 100 -0.578 5.352 4.885 1.00 0.00 C ATOM 1540 C MET A 100 -0.919 4.536 6.128 1.00 0.00 C ATOM 1541 O MET A 100 -0.318 4.719 7.187 1.00 0.00 O ATOM 1542 CB MET A 100 0.022 4.441 3.812 1.00 0.00 C ATOM 1543 CG MET A 100 0.403 5.175 2.537 1.00 0.00 C ATOM 1544 SD MET A 100 0.284 4.130 1.072 1.00 0.00 S ATOM 1545 CE MET A 100 -1.280 4.676 0.392 1.00 0.00 C ATOM 0 H MET A 100 1.314 6.129 5.349 1.00 0.00 H new ATOM 0 HA MET A 100 -1.495 5.798 4.501 1.00 0.00 H new ATOM 0 HB2 MET A 100 0.907 3.950 4.217 1.00 0.00 H new ATOM 0 HB3 MET A 100 -0.695 3.657 3.570 1.00 0.00 H new ATOM 0 HG2 MET A 100 -0.246 6.042 2.414 1.00 0.00 H new ATOM 0 HG3 MET A 100 1.422 5.550 2.629 1.00 0.00 H new ATOM 0 HE1 MET A 100 -1.410 4.255 -0.605 1.00 0.00 H new ATOM 0 HE2 MET A 100 -2.093 4.342 1.036 1.00 0.00 H new ATOM 0 HE3 MET A 100 -1.290 5.764 0.330 1.00 0.00 H new ATOM 1555 N TYR A 101 -1.886 3.636 5.992 1.00 0.00 N ATOM 1556 CA TYR A 101 -2.309 2.794 7.105 1.00 0.00 C ATOM 1557 C TYR A 101 -2.753 1.420 6.611 1.00 0.00 C ATOM 1558 O TYR A 101 -2.836 1.178 5.407 1.00 0.00 O ATOM 1559 CB TYR A 101 -3.448 3.464 7.875 1.00 0.00 C ATOM 1560 CG TYR A 101 -3.240 4.945 8.097 1.00 0.00 C ATOM 1561 CD1 TYR A 101 -3.473 5.860 7.077 1.00 0.00 C ATOM 1562 CD2 TYR A 101 -2.809 5.430 9.326 1.00 0.00 C ATOM 1563 CE1 TYR A 101 -3.283 7.214 7.275 1.00 0.00 C ATOM 1564 CE2 TYR A 101 -2.618 6.783 9.533 1.00 0.00 C ATOM 1565 CZ TYR A 101 -2.856 7.670 8.505 1.00 0.00 C ATOM 1566 OH TYR A 101 -2.666 9.018 8.707 1.00 0.00 O ATOM 0 H TYR A 101 -2.392 3.470 5.122 1.00 0.00 H new ATOM 0 HA TYR A 101 -1.457 2.662 7.772 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -4.381 3.314 7.331 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -3.560 2.973 8.841 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -3.808 5.506 6.113 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -2.620 4.738 10.133 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -3.468 7.912 6.471 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -2.284 7.143 10.495 1.00 0.00 H new ATOM 0 HH TYR A 101 -2.365 9.172 9.627 1.00 0.00 H new ATOM 1576 N PHE A 102 -3.038 0.525 7.551 1.00 0.00 N ATOM 1577 CA PHE A 102 -3.474 -0.825 7.213 1.00 0.00 C ATOM 1578 C PHE A 102 -4.624 -1.266 8.113 1.00 0.00 C ATOM 1579 O PHE A 102 -4.916 -0.628 9.124 1.00 0.00 O ATOM 1580 CB PHE A 102 -2.307 -1.807 7.340 1.00 0.00 C ATOM 1581 CG PHE A 102 -1.541 -1.665 8.624 1.00 0.00 C ATOM 1582 CD1 PHE A 102 -2.182 -1.789 9.846 1.00 0.00 C ATOM 1583 CD2 PHE A 102 -0.179 -1.409 8.609 1.00 0.00 C ATOM 1584 CE1 PHE A 102 -1.480 -1.659 11.029 1.00 0.00 C ATOM 1585 CE2 PHE A 102 0.529 -1.278 9.789 1.00 0.00 C ATOM 1586 CZ PHE A 102 -0.123 -1.404 11.000 1.00 0.00 C ATOM 0 H PHE A 102 -2.975 0.710 8.552 1.00 0.00 H new ATOM 0 HA PHE A 102 -3.825 -0.819 6.181 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -2.689 -2.825 7.265 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -1.626 -1.660 6.502 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -3.243 -1.990 9.874 1.00 0.00 H new ATOM 0 HD2 PHE A 102 0.335 -1.311 7.664 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -1.992 -1.757 11.975 1.00 0.00 H new ATOM 0 HE2 PHE A 102 1.590 -1.078 9.764 1.00 0.00 H new ATOM 0 HZ PHE A 102 0.428 -1.303 11.923 1.00 0.00 H new ATOM 1596 N ALA A 103 -5.275 -2.363 7.737 1.00 0.00 N ATOM 1597 CA ALA A 103 -6.392 -2.891 8.510 1.00 0.00 C ATOM 1598 C ALA A 103 -6.196 -4.372 8.816 1.00 0.00 C ATOM 1599 O ALA A 103 -7.127 -5.055 9.246 1.00 0.00 O ATOM 1600 CB ALA A 103 -7.700 -2.672 7.764 1.00 0.00 C ATOM 0 H ALA A 103 -5.048 -2.903 6.902 1.00 0.00 H new ATOM 0 HA ALA A 103 -6.433 -2.354 9.458 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -8.526 -3.071 8.353 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -7.852 -1.605 7.602 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -7.660 -3.183 6.802 1.00 0.00 H new