USER MOD reduce.3.24.130724 H: found=0, std=0, add=495, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 497 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 Single : A 23 GLN : amide:sc= -1.73 K(o=-1.7,f=-2.9) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 84:sc= 0.56 USER MOD Single : A 41 SER OG : rot -79:sc= 1.06 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.0268 USER MOD Single : A 73 ASN : amide:sc= -0.659 K(o=-0.66,f=-0.012) USER MOD Single : A 75 THR OG1 : rot -160:sc= -1.4 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 SER OG : rot -80:sc= 0.813 USER MOD Single : A 92 MET CE :methyl 158:sc=-0.00378 (180deg=-0.621) USER MOD Single : A 93 LYS NZ :NH3+ 161:sc= -0.0171 (180deg=-0.155) USER MOD Single : A 95 SER OG : rot 65:sc= 0.643 USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 215 N ILE A 14 -2.200 -5.781 15.796 1.00 54.22 N ATOM 216 CA ILE A 14 -2.632 -5.148 17.036 1.00 74.22 C ATOM 217 C ILE A 14 -4.146 -5.232 17.197 1.00 34.23 C ATOM 218 O ILE A 14 -4.646 -5.736 18.204 1.00 53.32 O ATOM 219 CB ILE A 14 -2.202 -3.670 17.093 1.00 35.45 C ATOM 220 CG1 ILE A 14 -0.676 -3.561 17.107 1.00 54.21 C ATOM 221 CG2 ILE A 14 -2.798 -2.993 18.318 1.00 14.24 C ATOM 222 CD1 ILE A 14 -0.044 -4.081 18.379 1.00 74.11 C ATOM 0 HA ILE A 14 -2.152 -5.689 17.851 1.00 74.22 H new ATOM 0 HB ILE A 14 -2.576 -3.163 16.203 1.00 35.45 H new ATOM 0 HG12 ILE A 14 -0.273 -4.114 16.258 1.00 54.21 H new ATOM 0 HG13 ILE A 14 -0.393 -2.517 16.971 1.00 54.21 H new ATOM 0 HG21 ILE A 14 -2.485 -1.949 18.345 1.00 14.24 H new ATOM 0 HG22 ILE A 14 -3.886 -3.045 18.269 1.00 14.24 H new ATOM 0 HG23 ILE A 14 -2.450 -3.499 19.219 1.00 14.24 H new ATOM 0 HD11 ILE A 14 1.039 -3.972 18.318 1.00 74.11 H new ATOM 0 HD12 ILE A 14 -0.419 -3.512 19.230 1.00 74.11 H new ATOM 0 HD13 ILE A 14 -0.296 -5.134 18.507 1.00 74.11 H new ATOM 234 N ILE A 15 -4.871 -4.737 16.199 1.00 23.52 N ATOM 235 CA ILE A 15 -6.328 -4.759 16.229 1.00 22.44 C ATOM 236 C ILE A 15 -6.851 -6.165 16.507 1.00 42.35 C ATOM 237 O ILE A 15 -7.911 -6.337 17.106 1.00 11.23 O ATOM 238 CB ILE A 15 -6.926 -4.253 14.904 1.00 70.34 C ATOM 239 CG1 ILE A 15 -6.341 -2.886 14.544 1.00 62.13 C ATOM 240 CG2 ILE A 15 -8.442 -4.177 15.002 1.00 73.35 C ATOM 241 CD1 ILE A 15 -6.408 -1.884 15.674 1.00 11.53 C ATOM 0 H ILE A 15 -4.473 -4.316 15.360 1.00 23.52 H new ATOM 0 HA ILE A 15 -6.637 -4.093 17.035 1.00 22.44 H new ATOM 0 HB ILE A 15 -6.667 -4.957 14.113 1.00 70.34 H new ATOM 0 HG12 ILE A 15 -5.301 -3.013 14.243 1.00 62.13 H new ATOM 0 HG13 ILE A 15 -6.876 -2.486 13.683 1.00 62.13 H new ATOM 0 HG21 ILE A 15 -8.850 -3.818 14.057 1.00 73.35 H new ATOM 0 HG22 ILE A 15 -8.843 -5.168 15.217 1.00 73.35 H new ATOM 0 HG23 ILE A 15 -8.721 -3.491 15.802 1.00 73.35 H new ATOM 0 HD11 ILE A 15 -5.976 -0.938 15.348 1.00 11.53 H new ATOM 0 HD12 ILE A 15 -7.448 -1.728 15.961 1.00 11.53 H new ATOM 0 HD13 ILE A 15 -5.849 -2.263 16.530 1.00 11.53 H new ATOM 253 N GLY A 16 -6.098 -7.168 16.066 1.00 24.35 N ATOM 254 CA GLY A 16 -6.500 -8.546 16.278 1.00 75.30 C ATOM 255 C GLY A 16 -6.549 -8.917 17.747 1.00 75.11 C ATOM 256 O GLY A 16 -7.420 -9.676 18.175 1.00 53.02 O ATOM 0 H GLY A 16 -5.217 -7.051 15.566 1.00 24.35 H new ATOM 0 HA2 GLY A 16 -7.482 -8.707 15.833 1.00 75.30 H new ATOM 0 HA3 GLY A 16 -5.804 -9.208 15.763 1.00 75.30 H new ATOM 260 N LEU A 17 -5.612 -8.383 18.522 1.00 40.13 N ATOM 261 CA LEU A 17 -5.550 -8.663 19.952 1.00 33.21 C ATOM 262 C LEU A 17 -6.521 -7.774 20.723 1.00 23.45 C ATOM 263 O LEU A 17 -7.183 -8.225 21.658 1.00 73.31 O ATOM 264 CB LEU A 17 -4.127 -8.455 20.472 1.00 42.33 C ATOM 265 CG LEU A 17 -3.000 -8.895 19.537 1.00 62.22 C ATOM 266 CD1 LEU A 17 -1.644 -8.631 20.174 1.00 72.34 C ATOM 267 CD2 LEU A 17 -3.147 -10.368 19.181 1.00 5.53 C ATOM 0 H LEU A 17 -4.884 -7.753 18.184 1.00 40.13 H new ATOM 0 HA LEU A 17 -5.837 -9.703 20.106 1.00 33.21 H new ATOM 0 HB2 LEU A 17 -3.994 -7.396 20.695 1.00 42.33 H new ATOM 0 HB3 LEU A 17 -4.023 -8.995 21.413 1.00 42.33 H new ATOM 0 HG LEU A 17 -3.067 -8.311 18.619 1.00 62.22 H new ATOM 0 HD11 LEU A 17 -0.854 -8.950 19.494 1.00 72.34 H new ATOM 0 HD12 LEU A 17 -1.539 -7.565 20.377 1.00 72.34 H new ATOM 0 HD13 LEU A 17 -1.566 -9.188 21.108 1.00 72.34 H new ATOM 0 HD21 LEU A 17 -2.337 -10.664 18.515 1.00 5.53 H new ATOM 0 HD22 LEU A 17 -3.107 -10.968 20.090 1.00 5.53 H new ATOM 0 HD23 LEU A 17 -4.103 -10.528 18.683 1.00 5.53 H new ATOM 279 N VAL A 18 -6.601 -6.509 20.325 1.00 41.14 N ATOM 280 CA VAL A 18 -7.493 -5.557 20.976 1.00 61.11 C ATOM 281 C VAL A 18 -8.953 -5.876 20.673 1.00 44.22 C ATOM 282 O VAL A 18 -9.852 -5.489 21.419 1.00 2.33 O ATOM 283 CB VAL A 18 -7.192 -4.113 20.534 1.00 2.30 C ATOM 284 CG1 VAL A 18 -5.692 -3.893 20.413 1.00 65.03 C ATOM 285 CG2 VAL A 18 -7.893 -3.801 19.220 1.00 4.23 C ATOM 0 H VAL A 18 -6.059 -6.119 19.554 1.00 41.14 H new ATOM 0 HA VAL A 18 -7.320 -5.644 22.049 1.00 61.11 H new ATOM 0 HB VAL A 18 -7.574 -3.432 21.294 1.00 2.30 H new ATOM 0 HG11 VAL A 18 -5.499 -2.867 20.100 1.00 65.03 H new ATOM 0 HG12 VAL A 18 -5.219 -4.073 21.378 1.00 65.03 H new ATOM 0 HG13 VAL A 18 -5.282 -4.581 19.674 1.00 65.03 H new ATOM 0 HG21 VAL A 18 -7.669 -2.776 18.923 1.00 4.23 H new ATOM 0 HG22 VAL A 18 -7.543 -4.487 18.449 1.00 4.23 H new ATOM 0 HG23 VAL A 18 -8.970 -3.915 19.346 1.00 4.23 H new ATOM 295 N VAL A 19 -9.182 -6.585 19.572 1.00 4.10 N ATOM 296 CA VAL A 19 -10.533 -6.958 19.170 1.00 4.21 C ATOM 297 C VAL A 19 -10.870 -8.373 19.624 1.00 31.44 C ATOM 298 O VAL A 19 -11.883 -8.600 20.287 1.00 14.42 O ATOM 299 CB VAL A 19 -10.710 -6.865 17.643 1.00 43.41 C ATOM 300 CG1 VAL A 19 -12.036 -7.478 17.221 1.00 60.04 C ATOM 301 CG2 VAL A 19 -10.612 -5.418 17.183 1.00 45.11 C ATOM 0 H VAL A 19 -8.449 -6.913 18.943 1.00 4.10 H new ATOM 0 HA VAL A 19 -11.212 -6.254 19.651 1.00 4.21 H new ATOM 0 HB VAL A 19 -9.908 -7.429 17.167 1.00 43.41 H new ATOM 0 HG11 VAL A 19 -12.143 -7.403 16.139 1.00 60.04 H new ATOM 0 HG12 VAL A 19 -12.062 -8.527 17.517 1.00 60.04 H new ATOM 0 HG13 VAL A 19 -12.854 -6.944 17.705 1.00 60.04 H new ATOM 0 HG21 VAL A 19 -10.739 -5.371 16.101 1.00 45.11 H new ATOM 0 HG22 VAL A 19 -11.391 -4.829 17.666 1.00 45.11 H new ATOM 0 HG23 VAL A 19 -9.635 -5.016 17.451 1.00 45.11 H new ATOM 311 N LEU A 20 -10.015 -9.324 19.264 1.00 3.14 N ATOM 312 CA LEU A 20 -10.221 -10.720 19.635 1.00 12.55 C ATOM 313 C LEU A 20 -9.809 -10.965 21.083 1.00 10.34 C ATOM 314 O LEU A 20 -9.952 -12.071 21.601 1.00 32.34 O ATOM 315 CB LEU A 20 -9.427 -11.638 18.705 1.00 74.02 C ATOM 316 CG LEU A 20 -9.910 -13.086 18.619 1.00 74.31 C ATOM 317 CD1 LEU A 20 -11.430 -13.141 18.591 1.00 61.54 C ATOM 318 CD2 LEU A 20 -9.327 -13.771 17.392 1.00 60.24 C ATOM 0 H LEU A 20 -9.172 -9.154 18.715 1.00 3.14 H new ATOM 0 HA LEU A 20 -11.283 -10.943 19.536 1.00 12.55 H new ATOM 0 HB2 LEU A 20 -9.445 -11.210 17.703 1.00 74.02 H new ATOM 0 HB3 LEU A 20 -8.387 -11.642 19.032 1.00 74.02 H new ATOM 0 HG LEU A 20 -9.564 -13.617 19.506 1.00 74.31 H new ATOM 0 HD11 LEU A 20 -11.755 -14.179 18.530 1.00 61.54 H new ATOM 0 HD12 LEU A 20 -11.827 -12.689 19.500 1.00 61.54 H new ATOM 0 HD13 LEU A 20 -11.798 -12.594 17.723 1.00 61.54 H new ATOM 0 HD21 LEU A 20 -9.682 -14.801 17.347 1.00 60.24 H new ATOM 0 HD22 LEU A 20 -9.642 -13.239 16.494 1.00 60.24 H new ATOM 0 HD23 LEU A 20 -8.239 -13.764 17.454 1.00 60.24 H new ATOM 330 N GLY A 21 -9.298 -9.923 21.733 1.00 51.24 N ATOM 331 CA GLY A 21 -8.875 -10.045 23.115 1.00 31.24 C ATOM 332 C GLY A 21 -7.686 -10.971 23.278 1.00 31.13 C ATOM 333 O GLY A 21 -7.649 -12.071 22.727 1.00 63.23 O ATOM 0 H GLY A 21 -9.170 -8.997 21.326 1.00 51.24 H new ATOM 0 HA2 GLY A 21 -8.619 -9.059 23.502 1.00 31.24 H new ATOM 0 HA3 GLY A 21 -9.706 -10.417 23.715 1.00 31.24 H new ATOM 337 N PRO A 22 -6.685 -10.524 24.051 1.00 63.42 N ATOM 338 CA PRO A 22 -5.470 -11.305 24.302 1.00 64.15 C ATOM 339 C PRO A 22 -5.734 -12.523 25.179 1.00 31.55 C ATOM 340 O PRO A 22 -4.827 -13.308 25.456 1.00 35.23 O ATOM 341 CB PRO A 22 -4.554 -10.314 25.024 1.00 1.12 C ATOM 342 CG PRO A 22 -5.481 -9.338 25.663 1.00 30.53 C ATOM 343 CD PRO A 22 -6.662 -9.223 24.739 1.00 22.05 C ATOM 0 HA PRO A 22 -5.046 -11.705 23.381 1.00 64.15 H new ATOM 0 HB2 PRO A 22 -3.934 -10.816 25.767 1.00 1.12 H new ATOM 0 HB3 PRO A 22 -3.878 -9.820 24.327 1.00 1.12 H new ATOM 0 HG2 PRO A 22 -5.790 -9.682 26.650 1.00 30.53 H new ATOM 0 HG3 PRO A 22 -4.996 -8.371 25.799 1.00 30.53 H new ATOM 0 HD2 PRO A 22 -7.586 -9.043 25.288 1.00 22.05 H new ATOM 0 HD3 PRO A 22 -6.543 -8.399 24.036 1.00 22.05 H new ATOM 351 N GLN A 23 -6.981 -12.675 25.613 1.00 12.25 N ATOM 352 CA GLN A 23 -7.364 -13.798 26.460 1.00 23.35 C ATOM 353 C GLN A 23 -7.212 -15.119 25.714 1.00 63.52 C ATOM 354 O GLN A 23 -6.802 -16.126 26.291 1.00 21.54 O ATOM 355 CB GLN A 23 -8.806 -13.634 26.941 1.00 15.24 C ATOM 356 CG GLN A 23 -9.780 -13.268 25.832 1.00 24.22 C ATOM 357 CD GLN A 23 -10.950 -14.227 25.743 1.00 34.05 C ATOM 358 OE1 GLN A 23 -10.801 -15.430 25.961 1.00 44.23 O ATOM 359 NE2 GLN A 23 -12.126 -13.699 25.423 1.00 43.40 N ATOM 0 H GLN A 23 -7.743 -12.034 25.392 1.00 12.25 H new ATOM 0 HA GLN A 23 -6.700 -13.811 27.324 1.00 23.35 H new ATOM 0 HB2 GLN A 23 -9.132 -14.563 27.408 1.00 15.24 H new ATOM 0 HB3 GLN A 23 -8.838 -12.863 27.710 1.00 15.24 H new ATOM 0 HG2 GLN A 23 -10.155 -12.259 26.001 1.00 24.22 H new ATOM 0 HG3 GLN A 23 -9.252 -13.256 24.879 1.00 24.22 H new ATOM 0 HE21 GLN A 23 -12.205 -12.697 25.251 1.00 43.40 H new ATOM 0 HE22 GLN A 23 -12.950 -14.296 25.350 1.00 43.40 H new ATOM 368 N ARG A 24 -7.545 -15.108 24.427 1.00 21.13 N ATOM 369 CA ARG A 24 -7.447 -16.306 23.602 1.00 2.01 C ATOM 370 C ARG A 24 -6.805 -15.987 22.255 1.00 23.11 C ATOM 371 O ARG A 24 -7.327 -16.357 21.203 1.00 74.21 O ATOM 372 CB ARG A 24 -8.832 -16.917 23.387 1.00 74.54 C ATOM 373 CG ARG A 24 -9.919 -15.887 23.127 1.00 33.04 C ATOM 374 CD ARG A 24 -9.969 -15.487 21.661 1.00 35.01 C ATOM 375 NE ARG A 24 -11.100 -14.609 21.372 1.00 71.13 N ATOM 376 CZ ARG A 24 -12.366 -15.013 21.383 1.00 3.32 C ATOM 377 NH1 ARG A 24 -12.660 -16.273 21.669 1.00 74.42 N ATOM 378 NH2 ARG A 24 -13.340 -14.154 21.109 1.00 24.12 N ATOM 0 H ARG A 24 -7.885 -14.283 23.933 1.00 21.13 H new ATOM 0 HA ARG A 24 -6.817 -17.026 24.124 1.00 2.01 H new ATOM 0 HB2 ARG A 24 -8.788 -17.607 22.544 1.00 74.54 H new ATOM 0 HB3 ARG A 24 -9.101 -17.503 24.266 1.00 74.54 H new ATOM 0 HG2 ARG A 24 -10.885 -16.292 23.428 1.00 33.04 H new ATOM 0 HG3 ARG A 24 -9.739 -15.004 23.740 1.00 33.04 H new ATOM 0 HD2 ARG A 24 -9.041 -14.984 21.391 1.00 35.01 H new ATOM 0 HD3 ARG A 24 -10.038 -16.382 21.043 1.00 35.01 H new ATOM 0 HE ARG A 24 -10.908 -13.632 21.150 1.00 71.13 H new ATOM 0 HH11 ARG A 24 -11.914 -16.935 21.881 1.00 74.42 H new ATOM 0 HH12 ARG A 24 -13.632 -16.581 21.677 1.00 74.42 H new ATOM 0 HH21 ARG A 24 -13.117 -13.183 20.890 1.00 24.12 H new ATOM 0 HH22 ARG A 24 -14.311 -14.465 21.118 1.00 24.12 H new ATOM 392 N LEU A 25 -5.670 -15.298 22.295 1.00 24.31 N ATOM 393 CA LEU A 25 -4.956 -14.929 21.078 1.00 45.22 C ATOM 394 C LEU A 25 -4.292 -16.148 20.444 1.00 14.42 C ATOM 395 O LEU A 25 -4.493 -16.453 19.268 1.00 2.14 O ATOM 396 CB LEU A 25 -3.902 -13.863 21.385 1.00 53.35 C ATOM 397 CG LEU A 25 -2.875 -13.598 20.283 1.00 1.14 C ATOM 398 CD1 LEU A 25 -1.695 -14.549 20.414 1.00 12.32 C ATOM 399 CD2 LEU A 25 -3.518 -13.729 18.911 1.00 75.23 C ATOM 0 H LEU A 25 -5.224 -14.984 23.157 1.00 24.31 H new ATOM 0 HA LEU A 25 -5.680 -14.524 20.371 1.00 45.22 H new ATOM 0 HB2 LEU A 25 -4.415 -12.928 21.609 1.00 53.35 H new ATOM 0 HB3 LEU A 25 -3.368 -14.158 22.288 1.00 53.35 H new ATOM 0 HG LEU A 25 -2.508 -12.578 20.393 1.00 1.14 H new ATOM 0 HD11 LEU A 25 -0.974 -14.346 19.622 1.00 12.32 H new ATOM 0 HD12 LEU A 25 -1.218 -14.406 21.384 1.00 12.32 H new ATOM 0 HD13 LEU A 25 -2.046 -15.578 20.331 1.00 12.32 H new ATOM 0 HD21 LEU A 25 -2.772 -13.537 18.140 1.00 75.23 H new ATOM 0 HD22 LEU A 25 -3.914 -14.737 18.790 1.00 75.23 H new ATOM 0 HD23 LEU A 25 -4.329 -13.007 18.819 1.00 75.23 H new ATOM 411 N PRO A 26 -3.485 -16.863 21.241 1.00 62.22 N ATOM 412 CA PRO A 26 -2.778 -18.062 20.780 1.00 0.02 C ATOM 413 C PRO A 26 -3.724 -19.231 20.525 1.00 2.51 C ATOM 414 O PRO A 26 -3.313 -20.276 20.022 1.00 72.24 O ATOM 415 CB PRO A 26 -1.832 -18.383 21.940 1.00 64.34 C ATOM 416 CG PRO A 26 -2.486 -17.789 23.139 1.00 41.54 C ATOM 417 CD PRO A 26 -3.200 -16.557 22.653 1.00 62.52 C ATOM 0 HA PRO A 26 -2.270 -17.896 19.830 1.00 0.02 H new ATOM 0 HB2 PRO A 26 -1.697 -19.459 22.055 1.00 64.34 H new ATOM 0 HB3 PRO A 26 -0.844 -17.954 21.775 1.00 64.34 H new ATOM 0 HG2 PRO A 26 -3.185 -18.493 23.591 1.00 41.54 H new ATOM 0 HG3 PRO A 26 -1.749 -17.538 23.902 1.00 41.54 H new ATOM 0 HD2 PRO A 26 -4.115 -16.374 23.217 1.00 62.52 H new ATOM 0 HD3 PRO A 26 -2.579 -15.667 22.754 1.00 62.52 H new ATOM 425 N VAL A 27 -4.993 -19.046 20.875 1.00 22.24 N ATOM 426 CA VAL A 27 -5.998 -20.085 20.683 1.00 43.22 C ATOM 427 C VAL A 27 -6.215 -20.371 19.201 1.00 32.13 C ATOM 428 O VAL A 27 -6.214 -21.526 18.775 1.00 10.51 O ATOM 429 CB VAL A 27 -7.343 -19.690 21.321 1.00 42.31 C ATOM 430 CG1 VAL A 27 -8.433 -20.673 20.921 1.00 3.43 C ATOM 431 CG2 VAL A 27 -7.212 -19.613 22.834 1.00 3.55 C ATOM 0 H VAL A 27 -5.349 -18.187 21.293 1.00 22.24 H new ATOM 0 HA VAL A 27 -5.623 -20.984 21.173 1.00 43.22 H new ATOM 0 HB VAL A 27 -7.624 -18.703 20.953 1.00 42.31 H new ATOM 0 HG11 VAL A 27 -9.376 -20.378 21.381 1.00 3.43 H new ATOM 0 HG12 VAL A 27 -8.543 -20.673 19.837 1.00 3.43 H new ATOM 0 HG13 VAL A 27 -8.162 -21.674 21.258 1.00 3.43 H new ATOM 0 HG21 VAL A 27 -8.172 -19.333 23.268 1.00 3.55 H new ATOM 0 HG22 VAL A 27 -6.908 -20.585 23.223 1.00 3.55 H new ATOM 0 HG23 VAL A 27 -6.463 -18.866 23.097 1.00 3.55 H new ATOM 441 N ALA A 28 -6.401 -19.312 18.421 1.00 51.24 N ATOM 442 CA ALA A 28 -6.617 -19.449 16.986 1.00 54.23 C ATOM 443 C ALA A 28 -5.402 -20.067 16.304 1.00 65.11 C ATOM 444 O ALA A 28 -5.520 -21.051 15.574 1.00 72.04 O ATOM 445 CB ALA A 28 -6.940 -18.096 16.369 1.00 45.31 C ATOM 0 H ALA A 28 -6.407 -18.349 18.758 1.00 51.24 H new ATOM 0 HA ALA A 28 -7.465 -20.117 16.834 1.00 54.23 H new ATOM 0 HB1 ALA A 28 -7.099 -18.214 15.297 1.00 45.31 H new ATOM 0 HB2 ALA A 28 -7.843 -17.693 16.828 1.00 45.31 H new ATOM 0 HB3 ALA A 28 -6.110 -17.411 16.540 1.00 45.31 H new ATOM 451 N VAL A 29 -4.232 -19.483 16.546 1.00 31.44 N ATOM 452 CA VAL A 29 -2.994 -19.977 15.956 1.00 60.40 C ATOM 453 C VAL A 29 -2.786 -21.454 16.271 1.00 21.42 C ATOM 454 O VAL A 29 -2.618 -22.276 15.369 1.00 12.24 O ATOM 455 CB VAL A 29 -1.776 -19.180 16.458 1.00 65.11 C ATOM 456 CG1 VAL A 29 -0.519 -19.598 15.710 1.00 42.45 C ATOM 457 CG2 VAL A 29 -2.021 -17.686 16.313 1.00 43.22 C ATOM 0 H VAL A 29 -4.116 -18.667 17.147 1.00 31.44 H new ATOM 0 HA VAL A 29 -3.084 -19.848 14.877 1.00 60.40 H new ATOM 0 HB VAL A 29 -1.630 -19.400 17.516 1.00 65.11 H new ATOM 0 HG11 VAL A 29 0.331 -19.024 16.078 1.00 42.45 H new ATOM 0 HG12 VAL A 29 -0.337 -20.661 15.870 1.00 42.45 H new ATOM 0 HG13 VAL A 29 -0.650 -19.409 14.644 1.00 42.45 H new ATOM 0 HG21 VAL A 29 -1.150 -17.138 16.673 1.00 43.22 H new ATOM 0 HG22 VAL A 29 -2.193 -17.446 15.264 1.00 43.22 H new ATOM 0 HG23 VAL A 29 -2.895 -17.402 16.899 1.00 43.22 H new ATOM 467 N LYS A 30 -2.798 -21.787 17.558 1.00 54.44 N ATOM 468 CA LYS A 30 -2.613 -23.165 17.994 1.00 20.42 C ATOM 469 C LYS A 30 -3.608 -24.093 17.304 1.00 11.03 C ATOM 470 O LYS A 30 -3.237 -25.152 16.797 1.00 34.33 O ATOM 471 CB LYS A 30 -2.773 -23.267 19.513 1.00 61.13 C ATOM 472 CG LYS A 30 -1.637 -22.624 20.288 1.00 4.35 C ATOM 473 CD LYS A 30 -0.664 -23.664 20.819 1.00 71.04 C ATOM 474 CE LYS A 30 0.322 -24.102 19.747 1.00 63.11 C ATOM 475 NZ LYS A 30 1.695 -24.280 20.296 1.00 42.51 N ATOM 0 H LYS A 30 -2.934 -21.120 18.317 1.00 54.44 H new ATOM 0 HA LYS A 30 -1.604 -23.474 17.719 1.00 20.42 H new ATOM 0 HB2 LYS A 30 -3.712 -22.796 19.804 1.00 61.13 H new ATOM 0 HB3 LYS A 30 -2.843 -24.318 19.793 1.00 61.13 H new ATOM 0 HG2 LYS A 30 -1.106 -21.924 19.643 1.00 4.35 H new ATOM 0 HG3 LYS A 30 -2.043 -22.047 21.119 1.00 4.35 H new ATOM 0 HD2 LYS A 30 -0.120 -23.254 21.670 1.00 71.04 H new ATOM 0 HD3 LYS A 30 -1.217 -24.530 21.182 1.00 71.04 H new ATOM 0 HE2 LYS A 30 -0.016 -25.039 19.303 1.00 63.11 H new ATOM 0 HE3 LYS A 30 0.343 -23.360 18.948 1.00 63.11 H new ATOM 0 HZ1 LYS A 30 2.337 -24.579 19.535 1.00 42.51 H new ATOM 0 HZ2 LYS A 30 2.028 -23.380 20.697 1.00 42.51 H new ATOM 0 HZ3 LYS A 30 1.680 -25.006 21.041 1.00 42.51 H new ATOM 489 N THR A 31 -4.874 -23.688 17.287 1.00 13.21 N ATOM 490 CA THR A 31 -5.922 -24.482 16.659 1.00 35.22 C ATOM 491 C THR A 31 -5.616 -24.732 15.187 1.00 23.11 C ATOM 492 O THR A 31 -5.429 -25.874 14.767 1.00 41.15 O ATOM 493 CB THR A 31 -7.295 -23.794 16.776 1.00 14.31 C ATOM 494 OG1 THR A 31 -7.767 -23.868 18.126 1.00 34.00 O ATOM 495 CG2 THR A 31 -8.307 -24.442 15.843 1.00 31.13 C ATOM 0 H THR A 31 -5.198 -22.814 17.701 1.00 13.21 H new ATOM 0 HA THR A 31 -5.955 -25.435 17.187 1.00 35.22 H new ATOM 0 HB THR A 31 -7.178 -22.749 16.489 1.00 14.31 H new ATOM 0 HG1 THR A 31 -7.378 -23.136 18.649 1.00 34.00 H new ATOM 0 HG21 THR A 31 -9.269 -23.939 15.944 1.00 31.13 H new ATOM 0 HG22 THR A 31 -7.959 -24.357 14.813 1.00 31.13 H new ATOM 0 HG23 THR A 31 -8.419 -25.495 16.103 1.00 31.13 H new ATOM 503 N VAL A 32 -5.564 -23.657 14.407 1.00 15.22 N ATOM 504 CA VAL A 32 -5.278 -23.760 12.981 1.00 12.42 C ATOM 505 C VAL A 32 -4.088 -24.677 12.724 1.00 31.13 C ATOM 506 O VAL A 32 -4.226 -25.731 12.105 1.00 74.23 O ATOM 507 CB VAL A 32 -4.989 -22.378 12.366 1.00 53.43 C ATOM 508 CG1 VAL A 32 -4.851 -22.484 10.855 1.00 74.13 C ATOM 509 CG2 VAL A 32 -6.082 -21.389 12.741 1.00 14.52 C ATOM 0 H VAL A 32 -5.716 -22.705 14.739 1.00 15.22 H new ATOM 0 HA VAL A 32 -6.166 -24.181 12.510 1.00 12.42 H new ATOM 0 HB VAL A 32 -4.045 -22.011 12.768 1.00 53.43 H new ATOM 0 HG11 VAL A 32 -4.647 -21.498 10.438 1.00 74.13 H new ATOM 0 HG12 VAL A 32 -4.030 -23.158 10.611 1.00 74.13 H new ATOM 0 HG13 VAL A 32 -5.777 -22.872 10.431 1.00 74.13 H new ATOM 0 HG21 VAL A 32 -5.862 -20.418 12.298 1.00 14.52 H new ATOM 0 HG22 VAL A 32 -7.041 -21.748 12.369 1.00 14.52 H new ATOM 0 HG23 VAL A 32 -6.128 -21.291 13.826 1.00 14.52 H new ATOM 519 N ALA A 33 -2.918 -24.269 13.205 1.00 15.35 N ATOM 520 CA ALA A 33 -1.704 -25.055 13.030 1.00 22.23 C ATOM 521 C ALA A 33 -1.866 -26.453 13.617 1.00 23.32 C ATOM 522 O ALA A 33 -1.142 -27.378 13.251 1.00 72.42 O ATOM 523 CB ALA A 33 -0.519 -24.346 13.670 1.00 72.12 C ATOM 0 H ALA A 33 -2.786 -23.398 13.719 1.00 15.35 H new ATOM 0 HA ALA A 33 -1.518 -25.157 11.961 1.00 22.23 H new ATOM 0 HB1 ALA A 33 0.381 -24.945 13.532 1.00 72.12 H new ATOM 0 HB2 ALA A 33 -0.382 -23.371 13.202 1.00 72.12 H new ATOM 0 HB3 ALA A 33 -0.706 -24.214 14.736 1.00 72.12 H new ATOM 529 N GLY A 34 -2.820 -26.600 14.531 1.00 10.24 N ATOM 530 CA GLY A 34 -3.059 -27.888 15.155 1.00 64.32 C ATOM 531 C GLY A 34 -3.485 -28.946 14.156 1.00 53.41 C ATOM 532 O GLY A 34 -2.743 -29.890 13.886 1.00 1.34 O ATOM 0 H GLY A 34 -3.432 -25.849 14.851 1.00 10.24 H new ATOM 0 HA2 GLY A 34 -2.152 -28.216 15.663 1.00 64.32 H new ATOM 0 HA3 GLY A 34 -3.830 -27.781 15.918 1.00 64.32 H new ATOM 536 N TRP A 35 -4.684 -28.789 13.607 1.00 14.41 N ATOM 537 CA TRP A 35 -5.209 -29.739 12.633 1.00 34.14 C ATOM 538 C TRP A 35 -4.507 -29.585 11.289 1.00 53.12 C ATOM 539 O TRP A 35 -4.527 -30.496 10.460 1.00 10.52 O ATOM 540 CB TRP A 35 -6.717 -29.544 12.461 1.00 44.11 C ATOM 541 CG TRP A 35 -7.107 -28.116 12.224 1.00 35.44 C ATOM 542 CD1 TRP A 35 -7.377 -27.172 13.174 1.00 74.53 C ATOM 543 CD2 TRP A 35 -7.274 -27.472 10.957 1.00 60.44 C ATOM 544 NE1 TRP A 35 -7.702 -25.980 12.572 1.00 24.34 N ATOM 545 CE2 TRP A 35 -7.645 -26.138 11.213 1.00 44.31 C ATOM 546 CE3 TRP A 35 -7.144 -27.892 9.630 1.00 20.31 C ATOM 547 CZ2 TRP A 35 -7.887 -25.224 10.191 1.00 10.51 C ATOM 548 CZ3 TRP A 35 -7.385 -26.984 8.617 1.00 13.12 C ATOM 549 CH2 TRP A 35 -7.753 -25.662 8.902 1.00 45.12 C ATOM 0 H TRP A 35 -5.311 -28.013 13.820 1.00 14.41 H new ATOM 0 HA TRP A 35 -5.020 -30.746 13.006 1.00 34.14 H new ATOM 0 HB2 TRP A 35 -7.062 -30.151 11.624 1.00 44.11 H new ATOM 0 HB3 TRP A 35 -7.228 -29.910 13.352 1.00 44.11 H new ATOM 0 HD1 TRP A 35 -7.340 -27.338 14.241 1.00 74.53 H new ATOM 0 HE1 TRP A 35 -7.946 -25.117 13.059 1.00 24.34 H new ATOM 0 HE3 TRP A 35 -6.860 -28.908 9.401 1.00 20.31 H new ATOM 0 HZ2 TRP A 35 -8.171 -24.205 10.408 1.00 10.51 H new ATOM 0 HZ3 TRP A 35 -7.288 -27.298 7.588 1.00 13.12 H new ATOM 0 HH2 TRP A 35 -7.934 -24.976 8.088 1.00 45.12 H new ATOM 560 N ILE A 36 -3.888 -28.428 11.079 1.00 62.31 N ATOM 561 CA ILE A 36 -3.178 -28.157 9.835 1.00 55.02 C ATOM 562 C ILE A 36 -1.940 -29.037 9.705 1.00 1.00 C ATOM 563 O ILE A 36 -1.745 -29.707 8.690 1.00 13.44 O ATOM 564 CB ILE A 36 -2.757 -26.679 9.738 1.00 3.10 C ATOM 565 CG1 ILE A 36 -3.903 -25.834 9.178 1.00 33.44 C ATOM 566 CG2 ILE A 36 -1.515 -26.538 8.870 1.00 72.10 C ATOM 567 CD1 ILE A 36 -3.492 -24.426 8.810 1.00 14.11 C ATOM 0 H ILE A 36 -3.864 -27.664 11.754 1.00 62.31 H new ATOM 0 HA ILE A 36 -3.868 -28.384 9.022 1.00 55.02 H new ATOM 0 HB ILE A 36 -2.521 -26.318 10.739 1.00 3.10 H new ATOM 0 HG12 ILE A 36 -4.310 -26.327 8.295 1.00 33.44 H new ATOM 0 HG13 ILE A 36 -4.704 -25.789 9.916 1.00 33.44 H new ATOM 0 HG21 ILE A 36 -1.230 -25.488 8.811 1.00 72.10 H new ATOM 0 HG22 ILE A 36 -0.698 -27.112 9.308 1.00 72.10 H new ATOM 0 HG23 ILE A 36 -1.726 -26.913 7.869 1.00 72.10 H new ATOM 0 HD11 ILE A 36 -4.354 -23.885 8.420 1.00 14.11 H new ATOM 0 HD12 ILE A 36 -3.113 -23.915 9.695 1.00 14.11 H new ATOM 0 HD13 ILE A 36 -2.712 -24.462 8.049 1.00 14.11 H new ATOM 579 N ARG A 37 -1.106 -29.032 10.740 1.00 50.11 N ATOM 580 CA ARG A 37 0.114 -29.830 10.742 1.00 31.20 C ATOM 581 C ARG A 37 -0.206 -31.312 10.919 1.00 52.33 C ATOM 582 O ARG A 37 0.467 -32.174 10.355 1.00 51.22 O ATOM 583 CB ARG A 37 1.052 -29.364 11.857 1.00 40.33 C ATOM 584 CG ARG A 37 2.515 -29.678 11.592 1.00 24.14 C ATOM 585 CD ARG A 37 3.048 -28.894 10.403 1.00 12.34 C ATOM 586 NE ARG A 37 4.494 -28.704 10.476 1.00 0.11 N ATOM 587 CZ ARG A 37 5.250 -28.406 9.425 1.00 11.02 C ATOM 588 NH1 ARG A 37 4.699 -28.264 8.227 1.00 24.24 N ATOM 589 NH2 ARG A 37 6.559 -28.249 9.571 1.00 3.34 N ATOM 0 H ARG A 37 -1.253 -28.484 11.588 1.00 50.11 H new ATOM 0 HA ARG A 37 0.608 -29.694 9.780 1.00 31.20 H new ATOM 0 HB2 ARG A 37 0.938 -28.288 11.990 1.00 40.33 H new ATOM 0 HB3 ARG A 37 0.752 -29.835 12.793 1.00 40.33 H new ATOM 0 HG2 ARG A 37 3.105 -29.443 12.478 1.00 24.14 H new ATOM 0 HG3 ARG A 37 2.631 -30.746 11.406 1.00 24.14 H new ATOM 0 HD2 ARG A 37 2.798 -29.419 9.481 1.00 12.34 H new ATOM 0 HD3 ARG A 37 2.556 -27.922 10.360 1.00 12.34 H new ATOM 0 HE ARG A 37 4.948 -28.806 11.384 1.00 0.11 H new ATOM 0 HH11 ARG A 37 3.693 -28.384 8.111 1.00 24.24 H new ATOM 0 HH12 ARG A 37 5.282 -28.035 7.422 1.00 24.24 H new ATOM 0 HH21 ARG A 37 6.986 -28.357 10.491 1.00 3.34 H new ATOM 0 HH22 ARG A 37 7.138 -28.020 8.763 1.00 3.34 H new ATOM 603 N ALA A 38 -1.238 -31.599 11.706 1.00 62.12 N ATOM 604 CA ALA A 38 -1.648 -32.975 11.956 1.00 61.35 C ATOM 605 C ALA A 38 -2.088 -33.660 10.666 1.00 44.22 C ATOM 606 O ALA A 38 -1.631 -34.759 10.347 1.00 15.23 O ATOM 607 CB ALA A 38 -2.768 -33.014 12.984 1.00 14.32 C ATOM 0 H ALA A 38 -1.805 -30.897 12.181 1.00 62.12 H new ATOM 0 HA ALA A 38 -0.789 -33.517 12.350 1.00 61.35 H new ATOM 0 HB1 ALA A 38 -3.064 -34.048 13.161 1.00 14.32 H new ATOM 0 HB2 ALA A 38 -2.421 -32.571 13.918 1.00 14.32 H new ATOM 0 HB3 ALA A 38 -3.623 -32.450 12.612 1.00 14.32 H new ATOM 613 N LEU A 39 -2.976 -33.005 9.927 1.00 14.52 N ATOM 614 CA LEU A 39 -3.479 -33.551 8.671 1.00 3.41 C ATOM 615 C LEU A 39 -2.395 -33.535 7.598 1.00 3.42 C ATOM 616 O LEU A 39 -2.287 -34.463 6.796 1.00 14.35 O ATOM 617 CB LEU A 39 -4.695 -32.753 8.196 1.00 64.42 C ATOM 618 CG LEU A 39 -4.397 -31.411 7.526 1.00 33.15 C ATOM 619 CD1 LEU A 39 -4.157 -31.599 6.037 1.00 61.14 C ATOM 620 CD2 LEU A 39 -5.537 -30.432 7.765 1.00 14.13 C ATOM 0 H LEU A 39 -3.363 -32.095 10.176 1.00 14.52 H new ATOM 0 HA LEU A 39 -3.776 -34.585 8.846 1.00 3.41 H new ATOM 0 HB2 LEU A 39 -5.258 -33.369 7.495 1.00 64.42 H new ATOM 0 HB3 LEU A 39 -5.343 -32.572 9.053 1.00 64.42 H new ATOM 0 HG LEU A 39 -3.491 -30.998 7.969 1.00 33.15 H new ATOM 0 HD11 LEU A 39 -3.947 -30.633 5.578 1.00 61.14 H new ATOM 0 HD12 LEU A 39 -3.307 -32.265 5.887 1.00 61.14 H new ATOM 0 HD13 LEU A 39 -5.045 -32.034 5.577 1.00 61.14 H new ATOM 0 HD21 LEU A 39 -5.308 -29.482 7.281 1.00 14.13 H new ATOM 0 HD22 LEU A 39 -6.459 -30.838 7.349 1.00 14.13 H new ATOM 0 HD23 LEU A 39 -5.662 -30.273 8.836 1.00 14.13 H new ATOM 632 N ARG A 40 -1.592 -32.475 7.591 1.00 72.32 N ATOM 633 CA ARG A 40 -0.516 -32.339 6.617 1.00 24.12 C ATOM 634 C ARG A 40 0.505 -33.462 6.775 1.00 24.01 C ATOM 635 O ARG A 40 0.787 -34.196 5.828 1.00 45.21 O ATOM 636 CB ARG A 40 0.174 -30.983 6.774 1.00 50.40 C ATOM 637 CG ARG A 40 1.168 -30.673 5.666 1.00 14.13 C ATOM 638 CD ARG A 40 0.464 -30.202 4.403 1.00 64.53 C ATOM 639 NE ARG A 40 0.971 -30.878 3.211 1.00 51.42 N ATOM 640 CZ ARG A 40 2.146 -30.604 2.655 1.00 70.51 C ATOM 641 NH1 ARG A 40 2.932 -29.675 3.181 1.00 72.12 N ATOM 642 NH2 ARG A 40 2.537 -31.262 1.571 1.00 63.11 N ATOM 0 H ARG A 40 -1.667 -31.699 8.249 1.00 72.32 H new ATOM 0 HA ARG A 40 -0.952 -32.404 5.620 1.00 24.12 H new ATOM 0 HB2 ARG A 40 -0.584 -30.200 6.800 1.00 50.40 H new ATOM 0 HB3 ARG A 40 0.692 -30.957 7.733 1.00 50.40 H new ATOM 0 HG2 ARG A 40 1.864 -29.905 6.004 1.00 14.13 H new ATOM 0 HG3 ARG A 40 1.758 -31.563 5.445 1.00 14.13 H new ATOM 0 HD2 ARG A 40 -0.607 -30.384 4.495 1.00 64.53 H new ATOM 0 HD3 ARG A 40 0.596 -29.126 4.294 1.00 64.53 H new ATOM 0 HE ARG A 40 0.391 -31.600 2.782 1.00 51.42 H new ATOM 0 HH11 ARG A 40 2.635 -29.168 4.015 1.00 72.12 H new ATOM 0 HH12 ARG A 40 3.834 -29.467 2.752 1.00 72.12 H new ATOM 0 HH21 ARG A 40 1.935 -31.978 1.164 1.00 63.11 H new ATOM 0 HH22 ARG A 40 3.439 -31.051 1.144 1.00 63.11 H new ATOM 656 N SER A 41 1.056 -33.589 7.978 1.00 23.21 N ATOM 657 CA SER A 41 2.049 -34.620 8.259 1.00 2.52 C ATOM 658 C SER A 41 1.454 -36.012 8.076 1.00 73.21 C ATOM 659 O SER A 41 2.110 -36.918 7.561 1.00 63.21 O ATOM 660 CB SER A 41 2.586 -34.465 9.683 1.00 30.35 C ATOM 661 OG SER A 41 1.565 -34.688 10.640 1.00 32.43 O ATOM 0 H SER A 41 0.832 -32.991 8.773 1.00 23.21 H new ATOM 0 HA SER A 41 2.871 -34.500 7.553 1.00 2.52 H new ATOM 0 HB2 SER A 41 3.402 -35.169 9.846 1.00 30.35 H new ATOM 0 HB3 SER A 41 2.998 -33.464 9.813 1.00 30.35 H new ATOM 0 HG SER A 41 1.010 -33.884 10.720 1.00 32.43 H new ATOM 667 N LEU A 42 0.206 -36.176 8.501 1.00 11.42 N ATOM 668 CA LEU A 42 -0.480 -37.458 8.385 1.00 54.42 C ATOM 669 C LEU A 42 -0.659 -37.849 6.921 1.00 2.13 C ATOM 670 O LEU A 42 -0.391 -38.986 6.536 1.00 60.43 O ATOM 671 CB LEU A 42 -1.843 -37.394 9.077 1.00 1.22 C ATOM 672 CG LEU A 42 -2.773 -38.583 8.838 1.00 35.45 C ATOM 673 CD1 LEU A 42 -2.226 -39.833 9.511 1.00 41.22 C ATOM 674 CD2 LEU A 42 -4.175 -38.274 9.344 1.00 20.02 C ATOM 0 H LEU A 42 -0.352 -35.437 8.929 1.00 11.42 H new ATOM 0 HA LEU A 42 0.133 -38.216 8.873 1.00 54.42 H new ATOM 0 HB2 LEU A 42 -1.679 -37.297 10.150 1.00 1.22 H new ATOM 0 HB3 LEU A 42 -2.353 -36.488 8.749 1.00 1.22 H new ATOM 0 HG LEU A 42 -2.827 -38.767 7.765 1.00 35.45 H new ATOM 0 HD11 LEU A 42 -2.902 -40.669 9.330 1.00 41.22 H new ATOM 0 HD12 LEU A 42 -1.243 -40.066 9.102 1.00 41.22 H new ATOM 0 HD13 LEU A 42 -2.141 -39.661 10.584 1.00 41.22 H new ATOM 0 HD21 LEU A 42 -4.823 -39.132 9.166 1.00 20.02 H new ATOM 0 HD22 LEU A 42 -4.138 -38.063 10.413 1.00 20.02 H new ATOM 0 HD23 LEU A 42 -4.569 -37.405 8.816 1.00 20.02 H new ATOM 686 N ALA A 43 -1.111 -36.898 6.111 1.00 42.33 N ATOM 687 CA ALA A 43 -1.321 -37.142 4.689 1.00 3.31 C ATOM 688 C ALA A 43 -0.020 -37.549 4.004 1.00 15.31 C ATOM 689 O ALA A 43 0.051 -38.591 3.352 1.00 32.13 O ATOM 690 CB ALA A 43 -1.906 -35.906 4.022 1.00 13.33 C ATOM 0 H ALA A 43 -1.339 -35.951 6.415 1.00 42.33 H new ATOM 0 HA ALA A 43 -2.028 -37.965 4.587 1.00 3.31 H new ATOM 0 HB1 ALA A 43 -2.057 -36.103 2.961 1.00 13.33 H new ATOM 0 HB2 ALA A 43 -2.861 -35.660 4.486 1.00 13.33 H new ATOM 0 HB3 ALA A 43 -1.219 -35.068 4.141 1.00 13.33 H new ATOM 1082 N GLU A 67 -10.142 -38.382 -12.597 1.00 74.11 N ATOM 1083 CA GLU A 67 -9.618 -37.681 -13.763 1.00 61.12 C ATOM 1084 C GLU A 67 -10.392 -38.063 -15.021 1.00 73.05 C ATOM 1085 O GLU A 67 -10.906 -37.201 -15.735 1.00 4.55 O ATOM 1086 CB GLU A 67 -8.132 -37.996 -13.950 1.00 73.40 C ATOM 1087 CG GLU A 67 -7.221 -37.203 -13.028 1.00 72.23 C ATOM 1088 CD GLU A 67 -6.340 -36.224 -13.780 1.00 32.31 C ATOM 1089 OE1 GLU A 67 -5.442 -36.681 -14.518 1.00 32.10 O ATOM 1090 OE2 GLU A 67 -6.548 -35.002 -13.630 1.00 31.20 O ATOM 0 HA GLU A 67 -9.737 -36.611 -13.595 1.00 61.12 H new ATOM 0 HB2 GLU A 67 -7.971 -39.060 -13.779 1.00 73.40 H new ATOM 0 HB3 GLU A 67 -7.854 -37.793 -14.984 1.00 73.40 H new ATOM 0 HG2 GLU A 67 -7.827 -36.659 -12.304 1.00 72.23 H new ATOM 0 HG3 GLU A 67 -6.593 -37.892 -12.463 1.00 72.23 H new ATOM 1097 N LYS A 68 -10.472 -39.362 -15.288 1.00 62.24 N ATOM 1098 CA LYS A 68 -11.183 -39.861 -16.459 1.00 73.03 C ATOM 1099 C LYS A 68 -12.628 -39.370 -16.468 1.00 65.34 C ATOM 1100 O LYS A 68 -13.158 -38.992 -17.512 1.00 43.24 O ATOM 1101 CB LYS A 68 -11.153 -41.391 -16.487 1.00 11.24 C ATOM 1102 CG LYS A 68 -9.750 -41.972 -16.467 1.00 41.14 C ATOM 1103 CD LYS A 68 -9.221 -42.199 -17.874 1.00 31.13 C ATOM 1104 CE LYS A 68 -8.768 -43.637 -18.073 1.00 73.34 C ATOM 1105 NZ LYS A 68 -8.155 -43.845 -19.414 1.00 42.44 N ATOM 0 H LYS A 68 -10.053 -40.089 -14.708 1.00 62.24 H new ATOM 0 HA LYS A 68 -10.681 -39.478 -17.348 1.00 73.03 H new ATOM 0 HB2 LYS A 68 -11.708 -41.773 -15.630 1.00 11.24 H new ATOM 0 HB3 LYS A 68 -11.669 -41.740 -17.381 1.00 11.24 H new ATOM 0 HG2 LYS A 68 -9.083 -41.297 -15.931 1.00 41.14 H new ATOM 0 HG3 LYS A 68 -9.754 -42.916 -15.922 1.00 41.14 H new ATOM 0 HD2 LYS A 68 -9.998 -41.957 -18.599 1.00 31.13 H new ATOM 0 HD3 LYS A 68 -8.387 -41.524 -18.064 1.00 31.13 H new ATOM 0 HE2 LYS A 68 -8.047 -43.901 -17.299 1.00 73.34 H new ATOM 0 HE3 LYS A 68 -9.621 -44.306 -17.956 1.00 73.34 H new ATOM 0 HZ1 LYS A 68 -7.859 -44.837 -19.510 1.00 42.44 H new ATOM 0 HZ2 LYS A 68 -8.851 -43.618 -20.153 1.00 42.44 H new ATOM 0 HZ3 LYS A 68 -7.326 -43.225 -19.517 1.00 42.44 H new ATOM 1119 N ALA A 69 -13.258 -39.378 -15.298 1.00 62.53 N ATOM 1120 CA ALA A 69 -14.639 -38.931 -15.172 1.00 12.23 C ATOM 1121 C ALA A 69 -14.724 -37.408 -15.156 1.00 63.41 C ATOM 1122 O ALA A 69 -15.806 -36.836 -15.284 1.00 42.15 O ATOM 1123 CB ALA A 69 -15.268 -39.509 -13.913 1.00 30.23 C ATOM 0 H ALA A 69 -12.834 -39.689 -14.424 1.00 62.53 H new ATOM 0 HA ALA A 69 -15.192 -39.291 -16.040 1.00 12.23 H new ATOM 0 HB1 ALA A 69 -16.300 -39.167 -13.832 1.00 30.23 H new ATOM 0 HB2 ALA A 69 -15.250 -40.598 -13.964 1.00 30.23 H new ATOM 0 HB3 ALA A 69 -14.706 -39.177 -13.040 1.00 30.23 H new ATOM 1129 N SER A 70 -13.575 -36.758 -14.997 1.00 73.13 N ATOM 1130 CA SER A 70 -13.521 -35.301 -14.960 1.00 65.43 C ATOM 1131 C SER A 70 -12.722 -34.758 -16.141 1.00 42.31 C ATOM 1132 O SER A 70 -12.441 -33.561 -16.217 1.00 51.24 O ATOM 1133 CB SER A 70 -12.897 -34.827 -13.646 1.00 50.44 C ATOM 1134 OG SER A 70 -13.734 -35.134 -12.545 1.00 3.43 O ATOM 0 H SER A 70 -12.670 -37.217 -14.892 1.00 73.13 H new ATOM 0 HA SER A 70 -14.540 -34.921 -15.028 1.00 65.43 H new ATOM 0 HB2 SER A 70 -11.924 -35.300 -13.510 1.00 50.44 H new ATOM 0 HB3 SER A 70 -12.726 -33.751 -13.688 1.00 50.44 H new ATOM 0 HG SER A 70 -13.313 -34.823 -11.717 1.00 3.43 H new ATOM 1140 N LEU A 71 -12.359 -35.645 -17.060 1.00 64.32 N ATOM 1141 CA LEU A 71 -11.592 -35.256 -18.239 1.00 22.33 C ATOM 1142 C LEU A 71 -12.330 -35.636 -19.518 1.00 51.44 C ATOM 1143 O LEU A 71 -12.223 -34.952 -20.537 1.00 5.42 O ATOM 1144 CB LEU A 71 -10.213 -35.919 -18.216 1.00 53.02 C ATOM 1145 CG LEU A 71 -9.049 -35.031 -17.775 1.00 30.40 C ATOM 1146 CD1 LEU A 71 -9.231 -34.590 -16.331 1.00 74.21 C ATOM 1147 CD2 LEU A 71 -7.726 -35.762 -17.948 1.00 63.51 C ATOM 0 H LEU A 71 -12.583 -36.639 -17.012 1.00 64.32 H new ATOM 0 HA LEU A 71 -11.468 -34.173 -18.221 1.00 22.33 H new ATOM 0 HB2 LEU A 71 -10.258 -36.782 -17.551 1.00 53.02 H new ATOM 0 HB3 LEU A 71 -9.997 -36.297 -19.215 1.00 53.02 H new ATOM 0 HG LEU A 71 -9.036 -34.142 -18.406 1.00 30.40 H new ATOM 0 HD11 LEU A 71 -8.393 -33.959 -16.035 1.00 74.21 H new ATOM 0 HD12 LEU A 71 -10.160 -34.028 -16.237 1.00 74.21 H new ATOM 0 HD13 LEU A 71 -9.271 -35.467 -15.685 1.00 74.21 H new ATOM 0 HD21 LEU A 71 -6.909 -35.115 -17.629 1.00 63.51 H new ATOM 0 HD22 LEU A 71 -7.729 -36.668 -17.342 1.00 63.51 H new ATOM 0 HD23 LEU A 71 -7.591 -36.027 -18.997 1.00 63.51 H new ATOM 1159 N THR A 72 -13.083 -36.730 -19.459 1.00 42.02 N ATOM 1160 CA THR A 72 -13.840 -37.200 -20.612 1.00 71.02 C ATOM 1161 C THR A 72 -14.168 -36.052 -21.560 1.00 12.22 C ATOM 1162 O THR A 72 -13.653 -35.989 -22.675 1.00 3.41 O ATOM 1163 CB THR A 72 -15.151 -37.886 -20.182 1.00 5.10 C ATOM 1164 OG1 THR A 72 -15.726 -37.190 -19.071 1.00 2.14 O ATOM 1165 CG2 THR A 72 -14.902 -39.338 -19.804 1.00 33.32 C ATOM 0 H THR A 72 -13.185 -37.307 -18.624 1.00 42.02 H new ATOM 0 HA THR A 72 -13.211 -37.925 -21.128 1.00 71.02 H new ATOM 0 HB THR A 72 -15.843 -37.860 -21.024 1.00 5.10 H new ATOM 0 HG1 THR A 72 -16.560 -37.631 -18.805 1.00 2.14 H new ATOM 0 HG21 THR A 72 -15.841 -39.802 -19.504 1.00 33.32 H new ATOM 0 HG22 THR A 72 -14.491 -39.872 -20.661 1.00 33.32 H new ATOM 0 HG23 THR A 72 -14.195 -39.382 -18.976 1.00 33.32 H new ATOM 1173 N ASN A 73 -15.029 -35.145 -21.108 1.00 24.31 N ATOM 1174 CA ASN A 73 -15.425 -33.998 -21.917 1.00 33.24 C ATOM 1175 C ASN A 73 -15.275 -32.700 -21.130 1.00 13.25 C ATOM 1176 O ASN A 73 -16.126 -31.812 -21.206 1.00 71.53 O ATOM 1177 CB ASN A 73 -16.872 -34.157 -22.389 1.00 43.13 C ATOM 1178 CG ASN A 73 -17.702 -34.998 -21.439 1.00 2.33 C ATOM 1179 OD1 ASN A 73 -18.181 -36.072 -21.800 1.00 73.51 O ATOM 1180 ND2 ASN A 73 -17.875 -34.510 -20.216 1.00 33.44 N ATOM 0 H ASN A 73 -15.465 -35.182 -20.187 1.00 24.31 H new ATOM 0 HA ASN A 73 -14.769 -33.953 -22.786 1.00 33.24 H new ATOM 0 HB2 ASN A 73 -17.328 -33.172 -22.491 1.00 43.13 H new ATOM 0 HB3 ASN A 73 -16.880 -34.616 -23.378 1.00 43.13 H new ATOM 0 HD21 ASN A 73 -18.424 -35.031 -19.532 1.00 33.44 H new ATOM 0 HD22 ASN A 73 -17.459 -33.614 -19.961 1.00 33.44 H new ATOM 1187 N LEU A 74 -14.188 -32.595 -20.374 1.00 21.14 N ATOM 1188 CA LEU A 74 -13.925 -31.405 -19.572 1.00 41.23 C ATOM 1189 C LEU A 74 -12.703 -30.656 -20.094 1.00 40.03 C ATOM 1190 O LEU A 74 -12.430 -29.527 -19.684 1.00 30.41 O ATOM 1191 CB LEU A 74 -13.714 -31.789 -18.107 1.00 12.13 C ATOM 1192 CG LEU A 74 -14.981 -32.077 -17.299 1.00 45.54 C ATOM 1193 CD1 LEU A 74 -15.066 -31.154 -16.094 1.00 1.34 C ATOM 1194 CD2 LEU A 74 -16.216 -31.929 -18.175 1.00 13.30 C ATOM 0 H LEU A 74 -13.474 -33.320 -20.299 1.00 21.14 H new ATOM 0 HA LEU A 74 -14.791 -30.748 -19.648 1.00 41.23 H new ATOM 0 HB2 LEU A 74 -13.076 -32.672 -18.072 1.00 12.13 H new ATOM 0 HB3 LEU A 74 -13.169 -30.983 -17.616 1.00 12.13 H new ATOM 0 HG LEU A 74 -14.935 -33.105 -16.940 1.00 45.54 H new ATOM 0 HD11 LEU A 74 -15.973 -31.373 -15.531 1.00 1.34 H new ATOM 0 HD12 LEU A 74 -14.196 -31.309 -15.455 1.00 1.34 H new ATOM 0 HD13 LEU A 74 -15.089 -30.118 -16.431 1.00 1.34 H new ATOM 0 HD21 LEU A 74 -17.108 -32.137 -17.584 1.00 13.30 H new ATOM 0 HD22 LEU A 74 -16.267 -30.912 -18.563 1.00 13.30 H new ATOM 0 HD23 LEU A 74 -16.159 -32.632 -19.006 1.00 13.30 H new ATOM 1206 N THR A 75 -11.970 -31.291 -21.004 1.00 54.44 N ATOM 1207 CA THR A 75 -10.778 -30.685 -21.584 1.00 13.31 C ATOM 1208 C THR A 75 -10.599 -31.106 -23.038 1.00 25.43 C ATOM 1209 O THR A 75 -10.981 -32.204 -23.443 1.00 33.33 O ATOM 1210 CB THR A 75 -9.513 -31.064 -20.791 1.00 13.00 C ATOM 1211 OG1 THR A 75 -9.834 -32.043 -19.796 1.00 43.13 O ATOM 1212 CG2 THR A 75 -8.904 -29.839 -20.126 1.00 43.13 C ATOM 0 H THR A 75 -12.181 -32.225 -21.355 1.00 54.44 H new ATOM 0 HA THR A 75 -10.917 -29.605 -21.537 1.00 13.31 H new ATOM 0 HB THR A 75 -8.785 -31.479 -21.488 1.00 13.00 H new ATOM 0 HG1 THR A 75 -9.138 -32.049 -19.106 1.00 43.13 H new ATOM 0 HG21 THR A 75 -8.012 -30.131 -19.572 1.00 43.13 H new ATOM 0 HG22 THR A 75 -8.634 -29.108 -20.888 1.00 43.13 H new ATOM 0 HG23 THR A 75 -9.629 -29.399 -19.441 1.00 43.13 H new ATOM 1220 N PRO A 76 -10.002 -30.216 -23.844 1.00 5.35 N ATOM 1221 CA PRO A 76 -9.756 -30.474 -25.265 1.00 72.54 C ATOM 1222 C PRO A 76 -8.685 -31.538 -25.485 1.00 14.32 C ATOM 1223 O PRO A 76 -8.756 -32.314 -26.437 1.00 24.33 O ATOM 1224 CB PRO A 76 -9.281 -29.119 -25.796 1.00 30.53 C ATOM 1225 CG PRO A 76 -8.707 -28.428 -24.607 1.00 54.35 C ATOM 1226 CD PRO A 76 -9.520 -28.888 -23.428 1.00 45.35 C ATOM 0 HA PRO A 76 -10.644 -30.857 -25.769 1.00 72.54 H new ATOM 0 HB2 PRO A 76 -8.535 -29.241 -26.582 1.00 30.53 H new ATOM 0 HB3 PRO A 76 -10.106 -28.550 -26.225 1.00 30.53 H new ATOM 0 HG2 PRO A 76 -7.655 -28.682 -24.478 1.00 54.35 H new ATOM 0 HG3 PRO A 76 -8.762 -27.345 -24.720 1.00 54.35 H new ATOM 0 HD2 PRO A 76 -8.917 -28.945 -22.522 1.00 45.35 H new ATOM 0 HD3 PRO A 76 -10.346 -28.208 -23.219 1.00 45.35 H new ATOM 1234 N GLU A 77 -7.696 -31.566 -24.598 1.00 23.33 N ATOM 1235 CA GLU A 77 -6.610 -32.535 -24.696 1.00 73.03 C ATOM 1236 C GLU A 77 -7.157 -33.957 -24.785 1.00 24.24 C ATOM 1237 O GLU A 77 -6.606 -34.803 -25.491 1.00 75.10 O ATOM 1238 CB GLU A 77 -5.675 -32.410 -23.492 1.00 23.21 C ATOM 1239 CG GLU A 77 -4.315 -31.826 -23.836 1.00 22.24 C ATOM 1240 CD GLU A 77 -3.180 -32.527 -23.115 1.00 23.40 C ATOM 1241 OE1 GLU A 77 -2.900 -33.699 -23.446 1.00 1.54 O ATOM 1242 OE2 GLU A 77 -2.571 -31.904 -22.220 1.00 50.01 O ATOM 0 H GLU A 77 -7.624 -30.930 -23.804 1.00 23.33 H new ATOM 0 HA GLU A 77 -6.048 -32.323 -25.606 1.00 73.03 H new ATOM 0 HB2 GLU A 77 -6.150 -31.783 -22.737 1.00 23.21 H new ATOM 0 HB3 GLU A 77 -5.536 -33.395 -23.047 1.00 23.21 H new ATOM 0 HG2 GLU A 77 -4.155 -31.896 -24.912 1.00 22.24 H new ATOM 0 HG3 GLU A 77 -4.303 -30.766 -23.580 1.00 22.24 H new ATOM 1249 N LEU A 78 -8.242 -34.214 -24.062 1.00 43.54 N ATOM 1250 CA LEU A 78 -8.863 -35.533 -24.058 1.00 35.23 C ATOM 1251 C LEU A 78 -9.410 -35.882 -25.438 1.00 73.32 C ATOM 1252 O LEU A 78 -9.020 -36.884 -26.038 1.00 21.55 O ATOM 1253 CB LEU A 78 -9.989 -35.585 -23.023 1.00 2.21 C ATOM 1254 CG LEU A 78 -9.571 -35.934 -21.594 1.00 11.31 C ATOM 1255 CD1 LEU A 78 -8.614 -37.116 -21.591 1.00 53.30 C ATOM 1256 CD2 LEU A 78 -8.936 -34.729 -20.915 1.00 24.21 C ATOM 0 H LEU A 78 -8.709 -33.526 -23.471 1.00 43.54 H new ATOM 0 HA LEU A 78 -8.100 -36.265 -23.794 1.00 35.23 H new ATOM 0 HB2 LEU A 78 -10.487 -34.615 -23.008 1.00 2.21 H new ATOM 0 HB3 LEU A 78 -10.726 -36.317 -23.354 1.00 2.21 H new ATOM 0 HG LEU A 78 -10.463 -36.214 -21.033 1.00 11.31 H new ATOM 0 HD11 LEU A 78 -8.328 -37.350 -20.566 1.00 53.30 H new ATOM 0 HD12 LEU A 78 -9.104 -37.982 -22.037 1.00 53.30 H new ATOM 0 HD13 LEU A 78 -7.724 -36.865 -22.168 1.00 53.30 H new ATOM 0 HD21 LEU A 78 -8.645 -34.995 -19.899 1.00 24.21 H new ATOM 0 HD22 LEU A 78 -8.054 -34.418 -21.476 1.00 24.21 H new ATOM 0 HD23 LEU A 78 -9.654 -33.909 -20.883 1.00 24.21 H new ATOM 1268 N LYS A 79 -10.315 -35.048 -25.939 1.00 10.11 N ATOM 1269 CA LYS A 79 -10.914 -35.265 -27.250 1.00 61.14 C ATOM 1270 C LYS A 79 -9.845 -35.589 -28.290 1.00 12.34 C ATOM 1271 O LYS A 79 -10.051 -36.429 -29.164 1.00 74.35 O ATOM 1272 CB LYS A 79 -11.704 -34.028 -27.684 1.00 71.41 C ATOM 1273 CG LYS A 79 -13.024 -33.862 -26.951 1.00 71.22 C ATOM 1274 CD LYS A 79 -13.886 -32.787 -27.592 1.00 72.50 C ATOM 1275 CE LYS A 79 -13.695 -31.440 -26.912 1.00 21.50 C ATOM 1276 NZ LYS A 79 -13.759 -30.314 -27.884 1.00 70.32 N ATOM 0 H LYS A 79 -10.650 -34.214 -25.456 1.00 10.11 H new ATOM 0 HA LYS A 79 -11.593 -36.114 -27.175 1.00 61.14 H new ATOM 0 HB2 LYS A 79 -11.093 -33.141 -27.520 1.00 71.41 H new ATOM 0 HB3 LYS A 79 -11.898 -34.088 -28.755 1.00 71.41 H new ATOM 0 HG2 LYS A 79 -13.563 -34.810 -26.951 1.00 71.22 H new ATOM 0 HG3 LYS A 79 -12.833 -33.604 -25.909 1.00 71.22 H new ATOM 0 HD2 LYS A 79 -13.635 -32.701 -28.649 1.00 72.50 H new ATOM 0 HD3 LYS A 79 -14.935 -33.079 -27.536 1.00 72.50 H new ATOM 0 HE2 LYS A 79 -14.463 -31.306 -26.150 1.00 21.50 H new ATOM 0 HE3 LYS A 79 -12.732 -31.424 -26.401 1.00 21.50 H new ATOM 0 HZ1 LYS A 79 -13.624 -29.413 -27.381 1.00 70.32 H new ATOM 0 HZ2 LYS A 79 -13.010 -30.428 -28.597 1.00 70.32 H new ATOM 0 HZ3 LYS A 79 -14.687 -30.313 -28.353 1.00 70.32 H new ATOM 1290 N ALA A 80 -8.703 -34.917 -28.186 1.00 71.12 N ATOM 1291 CA ALA A 80 -7.601 -35.136 -29.115 1.00 33.20 C ATOM 1292 C ALA A 80 -6.989 -36.520 -28.924 1.00 54.12 C ATOM 1293 O ALA A 80 -6.766 -37.249 -29.891 1.00 2.23 O ATOM 1294 CB ALA A 80 -6.541 -34.059 -28.939 1.00 61.33 C ATOM 0 H ALA A 80 -8.517 -34.217 -27.468 1.00 71.12 H new ATOM 0 HA ALA A 80 -7.996 -35.079 -30.129 1.00 33.20 H new ATOM 0 HB1 ALA A 80 -5.724 -34.235 -29.639 1.00 61.33 H new ATOM 0 HB2 ALA A 80 -6.981 -33.081 -29.133 1.00 61.33 H new ATOM 0 HB3 ALA A 80 -6.158 -34.089 -27.919 1.00 61.33 H new ATOM 1300 N SER A 81 -6.720 -36.875 -27.672 1.00 73.41 N ATOM 1301 CA SER A 81 -6.130 -38.170 -27.355 1.00 63.52 C ATOM 1302 C SER A 81 -7.065 -39.307 -27.756 1.00 53.13 C ATOM 1303 O SER A 81 -6.649 -40.271 -28.398 1.00 51.33 O ATOM 1304 CB SER A 81 -5.813 -38.259 -25.861 1.00 51.51 C ATOM 1305 OG SER A 81 -4.489 -37.829 -25.594 1.00 54.20 O ATOM 0 H SER A 81 -6.901 -36.284 -26.861 1.00 73.41 H new ATOM 0 HA SER A 81 -5.204 -38.267 -27.922 1.00 63.52 H new ATOM 0 HB2 SER A 81 -6.518 -37.646 -25.299 1.00 51.51 H new ATOM 0 HB3 SER A 81 -5.941 -39.286 -25.519 1.00 51.51 H new ATOM 0 HG SER A 81 -4.312 -37.894 -24.632 1.00 54.20 H new ATOM 1311 N MET A 82 -8.332 -39.186 -27.372 1.00 42.53 N ATOM 1312 CA MET A 82 -9.328 -40.202 -27.692 1.00 43.44 C ATOM 1313 C MET A 82 -9.517 -40.321 -29.201 1.00 62.13 C ATOM 1314 O MET A 82 -9.646 -41.423 -29.735 1.00 23.22 O ATOM 1315 CB MET A 82 -10.663 -39.866 -27.024 1.00 64.34 C ATOM 1316 CG MET A 82 -10.530 -39.483 -25.559 1.00 63.44 C ATOM 1317 SD MET A 82 -11.592 -40.467 -24.485 1.00 73.32 S ATOM 1318 CE MET A 82 -10.534 -41.876 -24.161 1.00 15.34 C ATOM 0 H MET A 82 -8.693 -38.395 -26.839 1.00 42.53 H new ATOM 0 HA MET A 82 -8.970 -41.159 -27.312 1.00 43.44 H new ATOM 0 HB2 MET A 82 -11.134 -39.045 -27.564 1.00 64.34 H new ATOM 0 HB3 MET A 82 -11.328 -40.725 -27.107 1.00 64.34 H new ATOM 0 HG2 MET A 82 -9.492 -39.605 -25.248 1.00 63.44 H new ATOM 0 HG3 MET A 82 -10.776 -38.428 -25.439 1.00 63.44 H new ATOM 0 HE1 MET A 82 -11.052 -42.578 -23.508 1.00 15.34 H new ATOM 0 HE2 MET A 82 -10.288 -42.370 -25.101 1.00 15.34 H new ATOM 0 HE3 MET A 82 -9.617 -41.539 -23.677 1.00 15.34 H new ATOM 1328 N ASP A 83 -9.533 -39.181 -29.883 1.00 64.11 N ATOM 1329 CA ASP A 83 -9.705 -39.159 -31.331 1.00 52.50 C ATOM 1330 C ASP A 83 -8.573 -39.910 -32.025 1.00 55.00 C ATOM 1331 O ASP A 83 -8.812 -40.728 -32.913 1.00 13.31 O ATOM 1332 CB ASP A 83 -9.762 -37.716 -31.837 1.00 22.22 C ATOM 1333 CG ASP A 83 -11.138 -37.100 -31.677 1.00 61.33 C ATOM 1334 OD1 ASP A 83 -12.005 -37.742 -31.048 1.00 52.43 O ATOM 1335 OD2 ASP A 83 -11.348 -35.977 -32.182 1.00 60.32 O ATOM 0 H ASP A 83 -9.429 -38.260 -29.457 1.00 64.11 H new ATOM 0 HA ASP A 83 -10.645 -39.657 -31.568 1.00 52.50 H new ATOM 0 HB2 ASP A 83 -9.033 -37.115 -31.294 1.00 22.22 H new ATOM 0 HB3 ASP A 83 -9.476 -37.691 -32.889 1.00 22.22 H new ATOM 1340 N GLU A 84 -7.342 -39.625 -31.614 1.00 64.51 N ATOM 1341 CA GLU A 84 -6.173 -40.274 -32.198 1.00 54.45 C ATOM 1342 C GLU A 84 -6.177 -41.771 -31.903 1.00 10.31 C ATOM 1343 O GLU A 84 -5.804 -42.583 -32.750 1.00 25.31 O ATOM 1344 CB GLU A 84 -4.889 -39.640 -31.661 1.00 43.41 C ATOM 1345 CG GLU A 84 -4.398 -38.464 -32.489 1.00 0.55 C ATOM 1346 CD GLU A 84 -2.918 -38.552 -32.809 1.00 35.42 C ATOM 1347 OE1 GLU A 84 -2.148 -38.994 -31.931 1.00 24.11 O ATOM 1348 OE2 GLU A 84 -2.531 -38.180 -33.936 1.00 74.41 O ATOM 0 H GLU A 84 -7.128 -38.950 -30.880 1.00 64.51 H new ATOM 0 HA GLU A 84 -6.214 -40.135 -33.278 1.00 54.45 H new ATOM 0 HB2 GLU A 84 -5.059 -39.307 -30.637 1.00 43.41 H new ATOM 0 HB3 GLU A 84 -4.107 -40.399 -31.624 1.00 43.41 H new ATOM 0 HG2 GLU A 84 -4.965 -38.418 -33.419 1.00 0.55 H new ATOM 0 HG3 GLU A 84 -4.595 -37.538 -31.949 1.00 0.55 H new ATOM 1355 N LEU A 85 -6.601 -42.128 -30.696 1.00 22.23 N ATOM 1356 CA LEU A 85 -6.653 -43.527 -30.287 1.00 32.55 C ATOM 1357 C LEU A 85 -7.795 -44.257 -30.986 1.00 74.12 C ATOM 1358 O LEU A 85 -7.721 -45.463 -31.225 1.00 13.51 O ATOM 1359 CB LEU A 85 -6.821 -43.630 -28.770 1.00 2.35 C ATOM 1360 CG LEU A 85 -5.535 -43.813 -27.963 1.00 22.31 C ATOM 1361 CD1 LEU A 85 -4.958 -42.464 -27.564 1.00 22.01 C ATOM 1362 CD2 LEU A 85 -5.795 -44.669 -26.732 1.00 21.40 C ATOM 0 H LEU A 85 -6.914 -41.468 -29.984 1.00 22.23 H new ATOM 0 HA LEU A 85 -5.714 -43.999 -30.576 1.00 32.55 H new ATOM 0 HB2 LEU A 85 -7.322 -42.728 -28.418 1.00 2.35 H new ATOM 0 HB3 LEU A 85 -7.484 -44.468 -28.554 1.00 2.35 H new ATOM 0 HG LEU A 85 -4.806 -44.326 -28.590 1.00 22.31 H new ATOM 0 HD11 LEU A 85 -4.043 -42.615 -26.991 1.00 22.01 H new ATOM 0 HD12 LEU A 85 -4.733 -41.885 -28.460 1.00 22.01 H new ATOM 0 HD13 LEU A 85 -5.683 -41.924 -26.955 1.00 22.01 H new ATOM 0 HD21 LEU A 85 -4.869 -44.789 -26.170 1.00 21.40 H new ATOM 0 HD22 LEU A 85 -6.541 -44.184 -26.103 1.00 21.40 H new ATOM 0 HD23 LEU A 85 -6.161 -45.648 -27.040 1.00 21.40 H new ATOM 1374 N ARG A 86 -8.850 -43.518 -31.314 1.00 50.21 N ATOM 1375 CA ARG A 86 -10.007 -44.094 -31.988 1.00 35.25 C ATOM 1376 C ARG A 86 -9.679 -44.434 -33.438 1.00 62.43 C ATOM 1377 O ARG A 86 -9.872 -45.567 -33.879 1.00 32.13 O ATOM 1378 CB ARG A 86 -11.190 -43.125 -31.935 1.00 41.11 C ATOM 1379 CG ARG A 86 -12.543 -43.808 -32.046 1.00 20.33 C ATOM 1380 CD ARG A 86 -13.549 -43.213 -31.072 1.00 63.45 C ATOM 1381 NE ARG A 86 -14.454 -42.273 -31.728 1.00 30.14 N ATOM 1382 CZ ARG A 86 -14.178 -40.985 -31.898 1.00 14.12 C ATOM 1383 NH1 ARG A 86 -13.029 -40.486 -31.464 1.00 20.51 N ATOM 1384 NH2 ARG A 86 -15.053 -40.192 -32.504 1.00 33.42 N ATOM 0 H ARG A 86 -8.927 -42.519 -31.124 1.00 50.21 H new ATOM 0 HA ARG A 86 -10.276 -45.014 -31.470 1.00 35.25 H new ATOM 0 HB2 ARG A 86 -11.150 -42.567 -30.999 1.00 41.11 H new ATOM 0 HB3 ARG A 86 -11.091 -42.400 -32.743 1.00 41.11 H new ATOM 0 HG2 ARG A 86 -12.919 -43.710 -33.064 1.00 20.33 H new ATOM 0 HG3 ARG A 86 -12.431 -44.874 -31.849 1.00 20.33 H new ATOM 0 HD2 ARG A 86 -14.128 -44.015 -30.614 1.00 63.45 H new ATOM 0 HD3 ARG A 86 -13.018 -42.704 -30.268 1.00 63.45 H new ATOM 0 HE ARG A 86 -15.347 -42.625 -32.074 1.00 30.14 H new ATOM 0 HH11 ARG A 86 -12.354 -41.092 -30.998 1.00 20.51 H new ATOM 0 HH12 ARG A 86 -12.820 -39.496 -31.596 1.00 20.51 H new ATOM 0 HH21 ARG A 86 -15.938 -40.572 -32.840 1.00 33.42 H new ATOM 0 HH22 ARG A 86 -14.840 -39.203 -32.634 1.00 33.42 H new ATOM 1398 N GLN A 87 -9.182 -43.446 -34.175 1.00 1.35 N ATOM 1399 CA GLN A 87 -8.828 -43.641 -35.576 1.00 1.45 C ATOM 1400 C GLN A 87 -7.699 -44.656 -35.715 1.00 64.14 C ATOM 1401 O GLN A 87 -7.718 -45.501 -36.609 1.00 73.54 O ATOM 1402 CB GLN A 87 -8.415 -42.311 -36.209 1.00 14.20 C ATOM 1403 CG GLN A 87 -9.433 -41.199 -36.007 1.00 64.32 C ATOM 1404 CD GLN A 87 -9.742 -40.451 -37.289 1.00 62.41 C ATOM 1405 OE1 GLN A 87 -10.752 -40.710 -37.944 1.00 64.54 O ATOM 1406 NE2 GLN A 87 -8.872 -39.517 -37.654 1.00 41.21 N ATOM 0 H GLN A 87 -9.015 -42.502 -33.825 1.00 1.35 H new ATOM 0 HA GLN A 87 -9.705 -44.026 -36.097 1.00 1.45 H new ATOM 0 HB2 GLN A 87 -7.460 -41.999 -35.787 1.00 14.20 H new ATOM 0 HB3 GLN A 87 -8.259 -42.460 -37.277 1.00 14.20 H new ATOM 0 HG2 GLN A 87 -10.354 -41.623 -35.607 1.00 64.32 H new ATOM 0 HG3 GLN A 87 -9.056 -40.497 -35.263 1.00 64.32 H new ATOM 0 HE21 GLN A 87 -8.048 -39.336 -37.081 1.00 41.21 H new ATOM 0 HE22 GLN A 87 -9.027 -38.981 -38.508 1.00 41.21 H new ATOM 1415 N ALA A 88 -6.715 -44.566 -34.826 1.00 71.22 N ATOM 1416 CA ALA A 88 -5.578 -45.478 -34.850 1.00 32.13 C ATOM 1417 C ALA A 88 -6.012 -46.905 -34.532 1.00 53.03 C ATOM 1418 O ALA A 88 -5.611 -47.851 -35.210 1.00 14.13 O ATOM 1419 CB ALA A 88 -4.512 -45.018 -33.867 1.00 1.33 C ATOM 0 H ALA A 88 -6.682 -43.871 -34.080 1.00 71.22 H new ATOM 0 HA ALA A 88 -5.158 -45.469 -35.856 1.00 32.13 H new ATOM 0 HB1 ALA A 88 -3.669 -45.708 -33.895 1.00 1.33 H new ATOM 0 HB2 ALA A 88 -4.172 -44.019 -34.140 1.00 1.33 H new ATOM 0 HB3 ALA A 88 -4.930 -44.997 -32.861 1.00 1.33 H new ATOM 1425 N ALA A 89 -6.833 -47.052 -33.498 1.00 34.53 N ATOM 1426 CA ALA A 89 -7.323 -48.364 -33.092 1.00 23.12 C ATOM 1427 C ALA A 89 -8.283 -48.937 -34.128 1.00 52.25 C ATOM 1428 O ALA A 89 -8.211 -50.117 -34.469 1.00 1.00 O ATOM 1429 CB ALA A 89 -8.001 -48.277 -31.732 1.00 43.05 C ATOM 0 H ALA A 89 -7.173 -46.279 -32.926 1.00 34.53 H new ATOM 0 HA ALA A 89 -6.468 -49.036 -33.017 1.00 23.12 H new ATOM 0 HB1 ALA A 89 -8.362 -49.264 -31.442 1.00 43.05 H new ATOM 0 HB2 ALA A 89 -7.286 -47.920 -30.991 1.00 43.05 H new ATOM 0 HB3 ALA A 89 -8.842 -47.585 -31.788 1.00 43.05 H new ATOM 1435 N GLU A 90 -9.182 -48.093 -34.626 1.00 11.15 N ATOM 1436 CA GLU A 90 -10.158 -48.517 -35.623 1.00 21.45 C ATOM 1437 C GLU A 90 -9.472 -48.872 -36.939 1.00 20.03 C ATOM 1438 O GLU A 90 -9.685 -49.951 -37.491 1.00 74.12 O ATOM 1439 CB GLU A 90 -11.194 -47.416 -35.855 1.00 52.15 C ATOM 1440 CG GLU A 90 -12.340 -47.437 -34.858 1.00 21.24 C ATOM 1441 CD GLU A 90 -13.185 -46.179 -34.912 1.00 63.24 C ATOM 1442 OE1 GLU A 90 -13.022 -45.396 -35.871 1.00 52.02 O ATOM 1443 OE2 GLU A 90 -14.009 -45.978 -33.996 1.00 21.53 O ATOM 0 H GLU A 90 -9.254 -47.112 -34.355 1.00 11.15 H new ATOM 0 HA GLU A 90 -10.663 -49.406 -35.245 1.00 21.45 H new ATOM 0 HB2 GLU A 90 -10.698 -46.446 -35.805 1.00 52.15 H new ATOM 0 HB3 GLU A 90 -11.598 -47.516 -36.862 1.00 52.15 H new ATOM 0 HG2 GLU A 90 -12.972 -48.303 -35.055 1.00 21.24 H new ATOM 0 HG3 GLU A 90 -11.939 -47.557 -33.852 1.00 21.24 H new ATOM 1450 N SER A 91 -8.648 -47.955 -37.435 1.00 65.34 N ATOM 1451 CA SER A 91 -7.933 -48.168 -38.689 1.00 32.44 C ATOM 1452 C SER A 91 -7.116 -49.455 -38.636 1.00 24.42 C ATOM 1453 O SER A 91 -7.232 -50.314 -39.510 1.00 42.52 O ATOM 1454 CB SER A 91 -7.016 -46.980 -38.986 1.00 34.21 C ATOM 1455 OG SER A 91 -5.981 -46.882 -38.024 1.00 25.11 O ATOM 0 H SER A 91 -8.459 -47.058 -36.988 1.00 65.34 H new ATOM 0 HA SER A 91 -8.669 -48.258 -39.488 1.00 32.44 H new ATOM 0 HB2 SER A 91 -6.583 -47.090 -39.980 1.00 34.21 H new ATOM 0 HB3 SER A 91 -7.599 -46.059 -38.992 1.00 34.21 H new ATOM 0 HG SER A 91 -6.327 -46.451 -37.214 1.00 25.11 H new ATOM 1461 N MET A 92 -6.288 -49.582 -37.603 1.00 54.53 N ATOM 1462 CA MET A 92 -5.452 -50.764 -37.435 1.00 23.00 C ATOM 1463 C MET A 92 -6.306 -52.022 -37.317 1.00 31.21 C ATOM 1464 O MET A 92 -5.979 -53.063 -37.888 1.00 32.04 O ATOM 1465 CB MET A 92 -4.566 -50.616 -36.196 1.00 35.51 C ATOM 1466 CG MET A 92 -3.266 -49.877 -36.463 1.00 44.01 C ATOM 1467 SD MET A 92 -2.673 -48.971 -35.021 1.00 40.23 S ATOM 1468 CE MET A 92 -2.907 -50.193 -33.733 1.00 70.44 C ATOM 0 H MET A 92 -6.179 -48.881 -36.871 1.00 54.53 H new ATOM 0 HA MET A 92 -4.818 -50.859 -38.317 1.00 23.00 H new ATOM 0 HB2 MET A 92 -5.123 -50.087 -35.423 1.00 35.51 H new ATOM 0 HB3 MET A 92 -4.337 -51.607 -35.803 1.00 35.51 H new ATOM 0 HG2 MET A 92 -2.505 -50.591 -36.777 1.00 44.01 H new ATOM 0 HG3 MET A 92 -3.411 -49.182 -37.290 1.00 44.01 H new ATOM 0 HE1 MET A 92 -2.256 -49.962 -32.890 1.00 70.44 H new ATOM 0 HE2 MET A 92 -3.946 -50.180 -33.403 1.00 70.44 H new ATOM 0 HE3 MET A 92 -2.662 -51.182 -34.121 1.00 70.44 H new ATOM 1478 N LYS A 93 -7.402 -51.920 -36.573 1.00 20.14 N ATOM 1479 CA LYS A 93 -8.305 -53.049 -36.380 1.00 5.11 C ATOM 1480 C LYS A 93 -8.964 -53.449 -37.696 1.00 23.31 C ATOM 1481 O LYS A 93 -9.320 -54.611 -37.894 1.00 64.04 O ATOM 1482 CB LYS A 93 -9.377 -52.700 -35.345 1.00 60.14 C ATOM 1483 CG LYS A 93 -10.648 -53.519 -35.487 1.00 71.32 C ATOM 1484 CD LYS A 93 -11.669 -52.817 -36.366 1.00 51.33 C ATOM 1485 CE LYS A 93 -12.980 -52.591 -35.628 1.00 25.43 C ATOM 1486 NZ LYS A 93 -12.809 -51.684 -34.459 1.00 42.14 N ATOM 0 H LYS A 93 -7.687 -51.066 -36.093 1.00 20.14 H new ATOM 0 HA LYS A 93 -7.719 -53.893 -36.016 1.00 5.11 H new ATOM 0 HB2 LYS A 93 -8.968 -52.850 -34.346 1.00 60.14 H new ATOM 0 HB3 LYS A 93 -9.625 -51.642 -35.433 1.00 60.14 H new ATOM 0 HG2 LYS A 93 -10.408 -54.493 -35.913 1.00 71.32 H new ATOM 0 HG3 LYS A 93 -11.078 -53.699 -34.502 1.00 71.32 H new ATOM 0 HD2 LYS A 93 -11.268 -51.859 -36.698 1.00 51.33 H new ATOM 0 HD3 LYS A 93 -11.852 -53.413 -37.260 1.00 51.33 H new ATOM 0 HE2 LYS A 93 -13.714 -52.166 -36.313 1.00 25.43 H new ATOM 0 HE3 LYS A 93 -13.376 -53.548 -35.290 1.00 25.43 H new ATOM 0 HZ1 LYS A 93 -13.734 -51.299 -34.180 1.00 42.14 H new ATOM 0 HZ2 LYS A 93 -12.401 -52.216 -33.664 1.00 42.14 H new ATOM 0 HZ3 LYS A 93 -12.172 -50.903 -34.716 1.00 42.14 H new ATOM 1500 N ARG A 94 -9.122 -52.481 -38.592 1.00 0.41 N ATOM 1501 CA ARG A 94 -9.738 -52.733 -39.889 1.00 10.10 C ATOM 1502 C ARG A 94 -8.741 -53.375 -40.849 1.00 44.40 C ATOM 1503 O ARG A 94 -9.113 -54.187 -41.695 1.00 51.05 O ATOM 1504 CB ARG A 94 -10.271 -51.429 -40.486 1.00 70.45 C ATOM 1505 CG ARG A 94 -11.053 -51.625 -41.775 1.00 11.00 C ATOM 1506 CD ARG A 94 -12.358 -50.845 -41.758 1.00 53.23 C ATOM 1507 NE ARG A 94 -12.884 -50.629 -43.104 1.00 11.14 N ATOM 1508 CZ ARG A 94 -13.782 -49.696 -43.401 1.00 30.23 C ATOM 1509 NH1 ARG A 94 -14.251 -48.897 -42.453 1.00 12.14 N ATOM 1510 NH2 ARG A 94 -14.212 -49.561 -44.649 1.00 31.12 N ATOM 0 H ARG A 94 -8.832 -51.514 -38.444 1.00 0.41 H new ATOM 0 HA ARG A 94 -10.569 -53.423 -39.741 1.00 10.10 H new ATOM 0 HB2 ARG A 94 -10.912 -50.939 -39.753 1.00 70.45 H new ATOM 0 HB3 ARG A 94 -9.434 -50.758 -40.677 1.00 70.45 H new ATOM 0 HG2 ARG A 94 -10.447 -51.304 -42.622 1.00 11.00 H new ATOM 0 HG3 ARG A 94 -11.263 -52.685 -41.917 1.00 11.00 H new ATOM 0 HD2 ARG A 94 -13.095 -51.384 -41.163 1.00 53.23 H new ATOM 0 HD3 ARG A 94 -12.199 -49.882 -41.272 1.00 53.23 H new ATOM 0 HE ARG A 94 -12.543 -51.227 -43.857 1.00 11.14 H new ATOM 0 HH11 ARG A 94 -13.922 -48.998 -41.493 1.00 12.14 H new ATOM 0 HH12 ARG A 94 -14.940 -48.182 -42.684 1.00 12.14 H new ATOM 0 HH21 ARG A 94 -13.853 -50.174 -45.381 1.00 31.12 H new ATOM 0 HH22 ARG A 94 -14.901 -48.844 -44.876 1.00 31.12 H new ATOM 1524 N SER A 95 -7.472 -53.004 -40.711 1.00 43.51 N ATOM 1525 CA SER A 95 -6.421 -53.539 -41.569 1.00 31.32 C ATOM 1526 C SER A 95 -5.779 -54.770 -40.937 1.00 22.34 C ATOM 1527 O SER A 95 -4.948 -55.437 -41.554 1.00 75.52 O ATOM 1528 CB SER A 95 -5.356 -52.473 -41.833 1.00 71.30 C ATOM 1529 OG SER A 95 -5.824 -51.185 -41.475 1.00 13.34 O ATOM 0 H SER A 95 -7.147 -52.335 -40.013 1.00 43.51 H new ATOM 0 HA SER A 95 -6.873 -53.832 -42.516 1.00 31.32 H new ATOM 0 HB2 SER A 95 -4.455 -52.707 -41.266 1.00 71.30 H new ATOM 0 HB3 SER A 95 -5.080 -52.483 -42.888 1.00 71.30 H new ATOM 0 HG SER A 95 -5.977 -51.150 -40.508 1.00 13.34 H new ATOM 1535 N TYR A 96 -6.169 -55.065 -39.702 1.00 13.04 N ATOM 1536 CA TYR A 96 -5.631 -56.214 -38.983 1.00 43.14 C ATOM 1537 C TYR A 96 -6.700 -57.284 -38.787 1.00 54.11 C ATOM 1538 O TYR A 96 -6.495 -58.452 -39.118 1.00 53.33 O ATOM 1539 CB TYR A 96 -5.074 -55.779 -37.627 1.00 1.31 C ATOM 1540 CG TYR A 96 -4.665 -56.934 -36.741 1.00 43.14 C ATOM 1541 CD1 TYR A 96 -4.146 -58.103 -37.286 1.00 55.52 C ATOM 1542 CD2 TYR A 96 -4.797 -56.858 -35.361 1.00 10.45 C ATOM 1543 CE1 TYR A 96 -3.772 -59.161 -36.481 1.00 42.03 C ATOM 1544 CE2 TYR A 96 -4.424 -57.910 -34.548 1.00 24.41 C ATOM 1545 CZ TYR A 96 -3.912 -59.060 -35.113 1.00 2.11 C ATOM 1546 OH TYR A 96 -3.540 -60.111 -34.307 1.00 31.42 O ATOM 0 H TYR A 96 -6.856 -54.524 -39.177 1.00 13.04 H new ATOM 0 HA TYR A 96 -4.824 -56.638 -39.580 1.00 43.14 H new ATOM 0 HB2 TYR A 96 -4.211 -55.133 -37.789 1.00 1.31 H new ATOM 0 HB3 TYR A 96 -5.826 -55.183 -37.109 1.00 1.31 H new ATOM 0 HD1 TYR A 96 -4.033 -58.185 -38.357 1.00 55.52 H new ATOM 0 HD2 TYR A 96 -5.199 -55.960 -34.915 1.00 10.45 H new ATOM 0 HE1 TYR A 96 -3.372 -60.063 -36.921 1.00 42.03 H new ATOM 0 HE2 TYR A 96 -4.532 -57.833 -33.476 1.00 24.41 H new ATOM 0 HH TYR A 96 -3.702 -59.877 -33.369 1.00 31.42 H new