USER MOD reduce.3.24.130724 H: found=0, std=0, add=569, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 570 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 96 ASN : amide:sc= 0.00102 K(o=0.062,f=-0.45!) USER MOD Set 1.2: A 98 SER OG : rot 180:sc= 0.0613 USER MOD Set 2.1: A 79 GLN : amide:sc= -0.291 K(o=-2.9,f=-9.8!) USER MOD Set 2.2: A 80 GLN : amide:sc= -3.27! C(o=-2.9!,f=-5.4!) USER MOD Set 2.3: A 88 GLN : amide:sc= 0.674 K(o=-2.9,f=-5.6) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=-0.062) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.0891 USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=-0.09) USER MOD Single : A 44 SER OG : rot 69:sc= 1.14 USER MOD Single : A 45 LYS NZ :NH3+ 174:sc= 1.16 (180deg=0.686!) USER MOD Single : A 50 MET CE :methyl -171:sc= 0 (180deg=-0.0848) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.0885 USER MOD Single : A 52 GLN : amide:sc= 0.627 K(o=0.63,f=-7.3!) USER MOD Single : A 53 GLN : amide:sc= -0.281 X(o=-0.28,f=-0.26) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 180:sc= -2.2! USER MOD Single : A 64 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= -0.117 USER MOD Single : A 70 THR OG1 : rot 77:sc= 0.789 USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0.016) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.00389 USER MOD Single : A 75 TYR OH : rot 30:sc= -0.136 USER MOD Single : A 83 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 87 THR OG1 : rot -17:sc= -0.114 USER MOD Single : A 89 GLN : amide:sc= -1.14 X(o=-1.1,f=-0.73) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0.0774 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 75:sc= 1.2 USER MOD Single : A 97 SER OG : rot 180:sc= 0.097 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0.0837 USER MOD Single : A 103 ASN : amide:sc= 0 X(o=0,f=-0.065) USER MOD Single : A 106 ASN : amide:sc= 0 X(o=0,f=-0.099) USER MOD Single : A 107 LYS NZ :NH3+ -135:sc= 1.07 (180deg=-1.23!) USER MOD ----------------------------------------------------------------- ATOM 257 N ASN A 36 -6.175 -16.108 14.825 1.00 0.00 N ATOM 258 CA ASN A 36 -6.710 -14.966 14.078 1.00 0.00 C ATOM 259 C ASN A 36 -5.589 -14.072 13.550 1.00 0.00 C ATOM 260 O ASN A 36 -5.218 -14.157 12.378 1.00 0.00 O ATOM 261 CB ASN A 36 -7.690 -14.146 14.929 1.00 0.00 C ATOM 262 CG ASN A 36 -8.293 -12.986 14.155 1.00 0.00 C ATOM 263 OD1 ASN A 36 -8.778 -13.156 13.035 1.00 0.00 O ATOM 264 ND2 ASN A 36 -8.268 -11.799 14.744 1.00 0.00 N ATOM 0 HA ASN A 36 -7.256 -15.370 13.225 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -8.489 -14.796 15.287 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -7.172 -13.763 15.808 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -8.659 -10.986 14.269 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -7.857 -11.699 15.672 1.00 0.00 H new ATOM 271 N TYR A 37 -5.041 -13.239 14.419 1.00 0.00 N ATOM 272 CA TYR A 37 -4.007 -12.294 14.033 1.00 0.00 C ATOM 273 C TYR A 37 -2.793 -12.453 14.935 1.00 0.00 C ATOM 274 O TYR A 37 -2.863 -13.120 15.972 1.00 0.00 O ATOM 275 CB TYR A 37 -4.534 -10.857 14.126 1.00 0.00 C ATOM 276 CG TYR A 37 -4.862 -10.213 12.793 1.00 0.00 C ATOM 277 CD1 TYR A 37 -4.878 -10.951 11.615 1.00 0.00 C ATOM 278 CD2 TYR A 37 -5.159 -8.858 12.719 1.00 0.00 C ATOM 279 CE1 TYR A 37 -5.181 -10.354 10.403 1.00 0.00 C ATOM 280 CE2 TYR A 37 -5.465 -8.256 11.513 1.00 0.00 C ATOM 281 CZ TYR A 37 -5.474 -9.007 10.359 1.00 0.00 C ATOM 282 OH TYR A 37 -5.781 -8.409 9.158 1.00 0.00 O ATOM 0 H TYR A 37 -5.298 -13.199 15.405 1.00 0.00 H new ATOM 0 HA TYR A 37 -3.719 -12.498 13.002 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -5.431 -10.853 14.746 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -3.791 -10.245 14.636 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -4.651 -12.006 11.646 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -5.151 -8.264 13.621 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -5.188 -10.941 9.496 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -5.696 -7.202 11.476 1.00 0.00 H new ATOM 0 HH TYR A 37 -5.963 -7.457 9.304 1.00 0.00 H new ATOM 292 N LEU A 38 -1.687 -11.841 14.543 1.00 0.00 N ATOM 293 CA LEU A 38 -0.480 -11.861 15.355 1.00 0.00 C ATOM 294 C LEU A 38 -0.491 -10.685 16.323 1.00 0.00 C ATOM 295 O LEU A 38 -0.922 -9.586 15.970 1.00 0.00 O ATOM 296 CB LEU A 38 0.768 -11.801 14.465 1.00 0.00 C ATOM 297 CG LEU A 38 1.636 -13.064 14.463 1.00 0.00 C ATOM 298 CD1 LEU A 38 2.211 -13.322 15.846 1.00 0.00 C ATOM 299 CD2 LEU A 38 0.834 -14.264 13.981 1.00 0.00 C ATOM 0 H LEU A 38 -1.600 -11.324 13.668 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.454 -12.791 15.922 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.454 -11.595 13.442 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.382 -10.959 14.786 1.00 0.00 H new ATOM 0 HG LEU A 38 2.466 -12.908 13.773 1.00 0.00 H new ATOM 0 HD11 LEU A 38 2.824 -14.223 15.823 1.00 0.00 H new ATOM 0 HD12 LEU A 38 2.824 -12.473 16.149 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.398 -13.455 16.559 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.467 -15.151 13.987 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -0.018 -14.422 14.643 1.00 0.00 H new ATOM 0 HD23 LEU A 38 0.477 -14.080 12.968 1.00 0.00 H new ATOM 311 N THR A 39 -0.048 -10.919 17.544 1.00 0.00 N ATOM 312 CA THR A 39 0.015 -9.870 18.541 1.00 0.00 C ATOM 313 C THR A 39 1.168 -8.911 18.241 1.00 0.00 C ATOM 314 O THR A 39 2.222 -9.331 17.759 1.00 0.00 O ATOM 315 CB THR A 39 0.191 -10.477 19.941 1.00 0.00 C ATOM 316 OG1 THR A 39 0.371 -11.898 19.825 1.00 0.00 O ATOM 317 CG2 THR A 39 -1.022 -10.187 20.812 1.00 0.00 C ATOM 0 H THR A 39 0.274 -11.830 17.869 1.00 0.00 H new ATOM 0 HA THR A 39 -0.921 -9.312 18.510 1.00 0.00 H new ATOM 0 HB THR A 39 1.067 -10.028 20.408 1.00 0.00 H new ATOM 0 HG1 THR A 39 0.485 -12.287 20.717 1.00 0.00 H new ATOM 0 HG21 THR A 39 -0.875 -10.626 21.799 1.00 0.00 H new ATOM 0 HG22 THR A 39 -1.150 -9.109 20.910 1.00 0.00 H new ATOM 0 HG23 THR A 39 -1.911 -10.618 20.352 1.00 0.00 H new ATOM 325 N ALA A 40 0.970 -7.631 18.534 1.00 0.00 N ATOM 326 CA ALA A 40 1.977 -6.610 18.258 1.00 0.00 C ATOM 327 C ALA A 40 3.239 -6.868 19.067 1.00 0.00 C ATOM 328 O ALA A 40 4.356 -6.759 18.554 1.00 0.00 O ATOM 329 CB ALA A 40 1.425 -5.227 18.565 1.00 0.00 C ATOM 0 H ALA A 40 0.117 -7.273 18.965 1.00 0.00 H new ATOM 0 HA ALA A 40 2.233 -6.657 17.199 1.00 0.00 H new ATOM 0 HB1 ALA A 40 2.187 -4.476 18.355 1.00 0.00 H new ATOM 0 HB2 ALA A 40 0.549 -5.039 17.944 1.00 0.00 H new ATOM 0 HB3 ALA A 40 1.143 -5.173 19.617 1.00 0.00 H new ATOM 335 N ASN A 41 3.049 -7.233 20.328 1.00 0.00 N ATOM 336 CA ASN A 41 4.162 -7.531 21.221 1.00 0.00 C ATOM 337 C ASN A 41 4.912 -8.772 20.751 1.00 0.00 C ATOM 338 O ASN A 41 6.113 -8.911 20.982 1.00 0.00 O ATOM 339 CB ASN A 41 3.652 -7.746 22.646 1.00 0.00 C ATOM 340 CG ASN A 41 4.765 -7.693 23.675 1.00 0.00 C ATOM 341 OD1 ASN A 41 5.535 -6.733 23.725 1.00 0.00 O ATOM 342 ND2 ASN A 41 4.856 -8.724 24.500 1.00 0.00 N ATOM 0 H ASN A 41 2.129 -7.330 20.758 1.00 0.00 H new ATOM 0 HA ASN A 41 4.846 -6.683 21.208 1.00 0.00 H new ATOM 0 HB2 ASN A 41 2.908 -6.985 22.881 1.00 0.00 H new ATOM 0 HB3 ASN A 41 3.151 -8.712 22.707 1.00 0.00 H new ATOM 0 HD21 ASN A 41 5.585 -8.744 25.213 1.00 0.00 H new ATOM 0 HD22 ASN A 41 4.197 -9.498 24.423 1.00 0.00 H new ATOM 349 N ASP A 42 4.199 -9.658 20.068 1.00 0.00 N ATOM 350 CA ASP A 42 4.785 -10.906 19.591 1.00 0.00 C ATOM 351 C ASP A 42 5.736 -10.646 18.433 1.00 0.00 C ATOM 352 O ASP A 42 6.813 -11.234 18.358 1.00 0.00 O ATOM 353 CB ASP A 42 3.698 -11.890 19.158 1.00 0.00 C ATOM 354 CG ASP A 42 4.067 -13.320 19.480 1.00 0.00 C ATOM 355 OD1 ASP A 42 4.280 -13.629 20.671 1.00 0.00 O ATOM 356 OD2 ASP A 42 4.176 -14.141 18.550 1.00 0.00 O ATOM 0 H ASP A 42 3.214 -9.537 19.831 1.00 0.00 H new ATOM 0 HA ASP A 42 5.345 -11.346 20.416 1.00 0.00 H new ATOM 0 HB2 ASP A 42 2.761 -11.637 19.655 1.00 0.00 H new ATOM 0 HB3 ASP A 42 3.527 -11.792 18.086 1.00 0.00 H new ATOM 361 N VAL A 43 5.337 -9.756 17.536 1.00 0.00 N ATOM 362 CA VAL A 43 6.187 -9.368 16.414 1.00 0.00 C ATOM 363 C VAL A 43 7.399 -8.583 16.910 1.00 0.00 C ATOM 364 O VAL A 43 8.446 -8.551 16.266 1.00 0.00 O ATOM 365 CB VAL A 43 5.410 -8.524 15.380 1.00 0.00 C ATOM 366 CG1 VAL A 43 6.205 -8.377 14.091 1.00 0.00 C ATOM 367 CG2 VAL A 43 4.048 -9.142 15.096 1.00 0.00 C ATOM 0 H VAL A 43 4.431 -9.288 17.561 1.00 0.00 H new ATOM 0 HA VAL A 43 6.523 -10.283 15.926 1.00 0.00 H new ATOM 0 HB VAL A 43 5.258 -7.531 15.803 1.00 0.00 H new ATOM 0 HG11 VAL A 43 5.636 -7.779 13.379 1.00 0.00 H new ATOM 0 HG12 VAL A 43 7.154 -7.884 14.303 1.00 0.00 H new ATOM 0 HG13 VAL A 43 6.395 -9.363 13.666 1.00 0.00 H new ATOM 0 HG21 VAL A 43 3.517 -8.532 14.365 1.00 0.00 H new ATOM 0 HG22 VAL A 43 4.181 -10.149 14.700 1.00 0.00 H new ATOM 0 HG23 VAL A 43 3.470 -9.188 16.019 1.00 0.00 H new ATOM 377 N SER A 44 7.255 -7.978 18.079 1.00 0.00 N ATOM 378 CA SER A 44 8.322 -7.190 18.675 1.00 0.00 C ATOM 379 C SER A 44 9.397 -8.085 19.298 1.00 0.00 C ATOM 380 O SER A 44 10.420 -7.594 19.780 1.00 0.00 O ATOM 381 CB SER A 44 7.748 -6.242 19.729 1.00 0.00 C ATOM 382 OG SER A 44 6.716 -5.433 19.182 1.00 0.00 O ATOM 0 H SER A 44 6.402 -8.019 18.637 1.00 0.00 H new ATOM 0 HA SER A 44 8.791 -6.606 17.884 1.00 0.00 H new ATOM 0 HB2 SER A 44 7.356 -6.819 20.567 1.00 0.00 H new ATOM 0 HB3 SER A 44 8.542 -5.607 20.122 1.00 0.00 H new ATOM 0 HG SER A 44 5.936 -5.991 18.979 1.00 0.00 H new ATOM 388 N LYS A 45 9.150 -9.394 19.315 1.00 0.00 N ATOM 389 CA LYS A 45 10.102 -10.347 19.884 1.00 0.00 C ATOM 390 C LYS A 45 11.374 -10.433 19.038 1.00 0.00 C ATOM 391 O LYS A 45 12.475 -10.589 19.570 1.00 0.00 O ATOM 392 CB LYS A 45 9.467 -11.738 19.994 1.00 0.00 C ATOM 393 CG LYS A 45 8.441 -11.861 21.111 1.00 0.00 C ATOM 394 CD LYS A 45 7.975 -13.299 21.291 1.00 0.00 C ATOM 395 CE LYS A 45 7.606 -13.947 19.964 1.00 0.00 C ATOM 396 NZ LYS A 45 6.536 -14.970 20.111 1.00 0.00 N ATOM 0 H LYS A 45 8.301 -9.818 18.942 1.00 0.00 H new ATOM 0 HA LYS A 45 10.369 -9.991 20.879 1.00 0.00 H new ATOM 0 HB2 LYS A 45 8.989 -11.984 19.046 1.00 0.00 H new ATOM 0 HB3 LYS A 45 10.254 -12.474 20.155 1.00 0.00 H new ATOM 0 HG2 LYS A 45 8.873 -11.499 22.044 1.00 0.00 H new ATOM 0 HG3 LYS A 45 7.584 -11.226 20.889 1.00 0.00 H new ATOM 0 HD2 LYS A 45 8.763 -13.879 21.771 1.00 0.00 H new ATOM 0 HD3 LYS A 45 7.113 -13.320 21.958 1.00 0.00 H new ATOM 0 HE2 LYS A 45 7.276 -13.177 19.266 1.00 0.00 H new ATOM 0 HE3 LYS A 45 8.492 -14.411 19.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 6.249 -15.309 19.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 6.894 -15.769 20.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 5.716 -14.548 20.592 1.00 0.00 H new ATOM 410 N ILE A 46 11.217 -10.315 17.724 1.00 0.00 N ATOM 411 CA ILE A 46 12.339 -10.472 16.803 1.00 0.00 C ATOM 412 C ILE A 46 13.115 -9.166 16.642 1.00 0.00 C ATOM 413 O ILE A 46 12.803 -8.165 17.286 1.00 0.00 O ATOM 414 CB ILE A 46 11.869 -10.958 15.415 1.00 0.00 C ATOM 415 CG1 ILE A 46 10.942 -9.928 14.766 1.00 0.00 C ATOM 416 CG2 ILE A 46 11.170 -12.303 15.535 1.00 0.00 C ATOM 417 CD1 ILE A 46 11.514 -9.310 13.509 1.00 0.00 C ATOM 0 H ILE A 46 10.325 -10.111 17.272 1.00 0.00 H new ATOM 0 HA ILE A 46 12.996 -11.225 17.238 1.00 0.00 H new ATOM 0 HB ILE A 46 12.745 -11.077 14.778 1.00 0.00 H new ATOM 0 HG12 ILE A 46 9.992 -10.406 14.527 1.00 0.00 H new ATOM 0 HG13 ILE A 46 10.729 -9.138 15.486 1.00 0.00 H new ATOM 0 HG21 ILE A 46 10.844 -12.633 14.549 1.00 0.00 H new ATOM 0 HG22 ILE A 46 11.860 -13.036 15.953 1.00 0.00 H new ATOM 0 HG23 ILE A 46 10.304 -12.206 16.189 1.00 0.00 H new ATOM 0 HD11 ILE A 46 10.804 -8.590 13.102 1.00 0.00 H new ATOM 0 HD12 ILE A 46 12.450 -8.804 13.746 1.00 0.00 H new ATOM 0 HD13 ILE A 46 11.701 -10.091 12.772 1.00 0.00 H new ATOM 429 N ARG A 47 14.127 -9.183 15.782 1.00 0.00 N ATOM 430 CA ARG A 47 14.952 -8.003 15.551 1.00 0.00 C ATOM 431 C ARG A 47 15.655 -8.079 14.201 1.00 0.00 C ATOM 432 O ARG A 47 15.565 -9.088 13.499 1.00 0.00 O ATOM 433 CB ARG A 47 15.994 -7.858 16.662 1.00 0.00 C ATOM 434 CG ARG A 47 16.999 -8.995 16.707 1.00 0.00 C ATOM 435 CD ARG A 47 18.324 -8.539 17.293 1.00 0.00 C ATOM 436 NE ARG A 47 18.684 -9.315 18.475 1.00 0.00 N ATOM 437 CZ ARG A 47 19.673 -10.207 18.508 1.00 0.00 C ATOM 438 NH1 ARG A 47 20.449 -10.385 17.445 1.00 0.00 N ATOM 439 NH2 ARG A 47 19.900 -10.897 19.616 1.00 0.00 N ATOM 0 H ARG A 47 14.396 -10.000 15.234 1.00 0.00 H new ATOM 0 HA ARG A 47 14.296 -7.133 15.553 1.00 0.00 H new ATOM 0 HB2 ARG A 47 16.528 -6.918 16.527 1.00 0.00 H new ATOM 0 HB3 ARG A 47 15.482 -7.799 17.623 1.00 0.00 H new ATOM 0 HG2 ARG A 47 16.598 -9.814 17.304 1.00 0.00 H new ATOM 0 HG3 ARG A 47 17.158 -9.382 15.701 1.00 0.00 H new ATOM 0 HD2 ARG A 47 19.107 -8.635 16.541 1.00 0.00 H new ATOM 0 HD3 ARG A 47 18.262 -7.483 17.555 1.00 0.00 H new ATOM 0 HE ARG A 47 18.146 -9.165 19.328 1.00 0.00 H new ATOM 0 HH11 ARG A 47 20.289 -9.838 16.599 1.00 0.00 H new ATOM 0 HH12 ARG A 47 21.205 -11.069 17.474 1.00 0.00 H new ATOM 0 HH21 ARG A 47 19.318 -10.744 20.440 1.00 0.00 H new ATOM 0 HH22 ARG A 47 20.656 -11.581 19.645 1.00 0.00 H new ATOM 453 N VAL A 48 16.364 -7.012 13.853 1.00 0.00 N ATOM 454 CA VAL A 48 17.167 -6.983 12.640 1.00 0.00 C ATOM 455 C VAL A 48 18.409 -7.852 12.825 1.00 0.00 C ATOM 456 O VAL A 48 18.969 -7.927 13.919 1.00 0.00 O ATOM 457 CB VAL A 48 17.573 -5.530 12.280 1.00 0.00 C ATOM 458 CG1 VAL A 48 18.854 -5.473 11.451 1.00 0.00 C ATOM 459 CG2 VAL A 48 16.436 -4.831 11.549 1.00 0.00 C ATOM 0 H VAL A 48 16.398 -6.151 14.399 1.00 0.00 H new ATOM 0 HA VAL A 48 16.571 -7.379 11.817 1.00 0.00 H new ATOM 0 HB VAL A 48 17.774 -5.009 13.216 1.00 0.00 H new ATOM 0 HG11 VAL A 48 19.095 -4.434 11.225 1.00 0.00 H new ATOM 0 HG12 VAL A 48 19.672 -5.921 12.014 1.00 0.00 H new ATOM 0 HG13 VAL A 48 18.710 -6.023 10.521 1.00 0.00 H new ATOM 0 HG21 VAL A 48 16.734 -3.812 11.302 1.00 0.00 H new ATOM 0 HG22 VAL A 48 16.205 -5.374 10.632 1.00 0.00 H new ATOM 0 HG23 VAL A 48 15.553 -4.806 12.188 1.00 0.00 H new ATOM 469 N GLY A 49 18.811 -8.526 11.759 1.00 0.00 N ATOM 470 CA GLY A 49 19.950 -9.423 11.817 1.00 0.00 C ATOM 471 C GLY A 49 19.575 -10.795 12.325 1.00 0.00 C ATOM 472 O GLY A 49 20.367 -11.733 12.244 1.00 0.00 O ATOM 0 H GLY A 49 18.364 -8.468 10.844 1.00 0.00 H new ATOM 0 HA2 GLY A 49 20.389 -9.514 10.823 1.00 0.00 H new ATOM 0 HA3 GLY A 49 20.714 -8.994 12.465 1.00 0.00 H new ATOM 476 N MET A 50 18.365 -10.918 12.848 1.00 0.00 N ATOM 477 CA MET A 50 17.848 -12.200 13.265 1.00 0.00 C ATOM 478 C MET A 50 17.577 -13.057 12.036 1.00 0.00 C ATOM 479 O MET A 50 17.010 -12.577 11.047 1.00 0.00 O ATOM 480 CB MET A 50 16.577 -12.001 14.091 1.00 0.00 C ATOM 481 CG MET A 50 16.525 -12.863 15.335 1.00 0.00 C ATOM 482 SD MET A 50 14.840 -13.227 15.862 1.00 0.00 S ATOM 483 CE MET A 50 15.113 -13.657 17.579 1.00 0.00 C ATOM 0 H MET A 50 17.724 -10.138 12.992 1.00 0.00 H new ATOM 0 HA MET A 50 18.580 -12.712 13.890 1.00 0.00 H new ATOM 0 HB2 MET A 50 16.502 -10.953 14.381 1.00 0.00 H new ATOM 0 HB3 MET A 50 15.710 -12.222 13.469 1.00 0.00 H new ATOM 0 HG2 MET A 50 17.052 -13.798 15.146 1.00 0.00 H new ATOM 0 HG3 MET A 50 17.053 -12.358 16.144 1.00 0.00 H new ATOM 0 HE1 MET A 50 14.194 -14.061 18.004 1.00 0.00 H new ATOM 0 HE2 MET A 50 15.903 -14.405 17.646 1.00 0.00 H new ATOM 0 HE3 MET A 50 15.409 -12.767 18.134 1.00 0.00 H new ATOM 493 N THR A 51 18.013 -14.306 12.086 1.00 0.00 N ATOM 494 CA THR A 51 17.903 -15.198 10.950 1.00 0.00 C ATOM 495 C THR A 51 16.483 -15.731 10.798 1.00 0.00 C ATOM 496 O THR A 51 15.717 -15.764 11.766 1.00 0.00 O ATOM 497 CB THR A 51 18.877 -16.381 11.091 1.00 0.00 C ATOM 498 OG1 THR A 51 19.261 -16.539 12.464 1.00 0.00 O ATOM 499 CG2 THR A 51 20.117 -16.166 10.239 1.00 0.00 C ATOM 0 H THR A 51 18.449 -14.724 12.908 1.00 0.00 H new ATOM 0 HA THR A 51 18.158 -14.622 10.061 1.00 0.00 H new ATOM 0 HB THR A 51 18.369 -17.282 10.747 1.00 0.00 H new ATOM 0 HG1 THR A 51 19.879 -17.295 12.546 1.00 0.00 H new ATOM 0 HG21 THR A 51 20.790 -17.015 10.355 1.00 0.00 H new ATOM 0 HG22 THR A 51 19.828 -16.073 9.192 1.00 0.00 H new ATOM 0 HG23 THR A 51 20.624 -15.255 10.557 1.00 0.00 H new ATOM 507 N GLN A 52 16.149 -16.143 9.576 1.00 0.00 N ATOM 508 CA GLN A 52 14.843 -16.718 9.255 1.00 0.00 C ATOM 509 C GLN A 52 14.418 -17.757 10.286 1.00 0.00 C ATOM 510 O GLN A 52 13.274 -17.764 10.729 1.00 0.00 O ATOM 511 CB GLN A 52 14.864 -17.378 7.867 1.00 0.00 C ATOM 512 CG GLN A 52 16.196 -17.268 7.132 1.00 0.00 C ATOM 513 CD GLN A 52 17.177 -18.363 7.519 1.00 0.00 C ATOM 514 OE1 GLN A 52 17.254 -18.768 8.679 1.00 0.00 O ATOM 515 NE2 GLN A 52 17.945 -18.842 6.553 1.00 0.00 N ATOM 0 H GLN A 52 16.780 -16.087 8.776 1.00 0.00 H new ATOM 0 HA GLN A 52 14.126 -15.897 9.263 1.00 0.00 H new ATOM 0 HB2 GLN A 52 14.610 -18.432 7.977 1.00 0.00 H new ATOM 0 HB3 GLN A 52 14.086 -16.925 7.252 1.00 0.00 H new ATOM 0 HG2 GLN A 52 16.017 -17.311 6.058 1.00 0.00 H new ATOM 0 HG3 GLN A 52 16.642 -16.296 7.343 1.00 0.00 H new ATOM 0 HE21 GLN A 52 17.853 -18.482 5.603 1.00 0.00 H new ATOM 0 HE22 GLN A 52 18.628 -19.571 6.759 1.00 0.00 H new ATOM 524 N GLN A 53 15.348 -18.625 10.662 1.00 0.00 N ATOM 525 CA GLN A 53 15.066 -19.702 11.602 1.00 0.00 C ATOM 526 C GLN A 53 14.543 -19.162 12.931 1.00 0.00 C ATOM 527 O GLN A 53 13.534 -19.635 13.446 1.00 0.00 O ATOM 528 CB GLN A 53 16.326 -20.536 11.836 1.00 0.00 C ATOM 529 CG GLN A 53 16.530 -21.635 10.806 1.00 0.00 C ATOM 530 CD GLN A 53 15.395 -22.638 10.798 1.00 0.00 C ATOM 531 OE1 GLN A 53 15.271 -23.459 11.707 1.00 0.00 O ATOM 532 NE2 GLN A 53 14.561 -22.579 9.770 1.00 0.00 N ATOM 0 H GLN A 53 16.311 -18.603 10.327 1.00 0.00 H new ATOM 0 HA GLN A 53 14.290 -20.331 11.167 1.00 0.00 H new ATOM 0 HB2 GLN A 53 17.194 -19.877 11.828 1.00 0.00 H new ATOM 0 HB3 GLN A 53 16.275 -20.985 12.828 1.00 0.00 H new ATOM 0 HG2 GLN A 53 16.623 -21.188 9.816 1.00 0.00 H new ATOM 0 HG3 GLN A 53 17.467 -22.153 11.012 1.00 0.00 H new ATOM 0 HE21 GLN A 53 14.702 -21.882 9.039 1.00 0.00 H new ATOM 0 HE22 GLN A 53 13.778 -23.231 9.710 1.00 0.00 H new ATOM 541 N GLN A 54 15.217 -18.158 13.470 1.00 0.00 N ATOM 542 CA GLN A 54 14.844 -17.602 14.764 1.00 0.00 C ATOM 543 C GLN A 54 13.606 -16.723 14.642 1.00 0.00 C ATOM 544 O GLN A 54 12.749 -16.723 15.525 1.00 0.00 O ATOM 545 CB GLN A 54 16.002 -16.799 15.352 1.00 0.00 C ATOM 546 CG GLN A 54 16.948 -17.632 16.199 1.00 0.00 C ATOM 547 CD GLN A 54 18.126 -18.159 15.405 1.00 0.00 C ATOM 548 OE1 GLN A 54 19.145 -17.488 15.268 1.00 0.00 O ATOM 549 NE2 GLN A 54 18.000 -19.368 14.881 1.00 0.00 N ATOM 0 H GLN A 54 16.024 -17.711 13.034 1.00 0.00 H new ATOM 0 HA GLN A 54 14.612 -18.430 15.434 1.00 0.00 H new ATOM 0 HB2 GLN A 54 16.564 -16.339 14.539 1.00 0.00 H new ATOM 0 HB3 GLN A 54 15.600 -15.989 15.960 1.00 0.00 H new ATOM 0 HG2 GLN A 54 17.314 -17.028 17.029 1.00 0.00 H new ATOM 0 HG3 GLN A 54 16.401 -18.470 16.631 1.00 0.00 H new ATOM 0 HE21 GLN A 54 17.137 -19.895 15.017 1.00 0.00 H new ATOM 0 HE22 GLN A 54 18.766 -19.772 14.342 1.00 0.00 H new ATOM 558 N VAL A 55 13.514 -15.982 13.544 1.00 0.00 N ATOM 559 CA VAL A 55 12.341 -15.159 13.279 1.00 0.00 C ATOM 560 C VAL A 55 11.098 -16.039 13.180 1.00 0.00 C ATOM 561 O VAL A 55 10.071 -15.758 13.801 1.00 0.00 O ATOM 562 CB VAL A 55 12.506 -14.331 11.982 1.00 0.00 C ATOM 563 CG1 VAL A 55 11.210 -13.616 11.620 1.00 0.00 C ATOM 564 CG2 VAL A 55 13.640 -13.330 12.135 1.00 0.00 C ATOM 0 H VAL A 55 14.236 -15.934 12.825 1.00 0.00 H new ATOM 0 HA VAL A 55 12.229 -14.461 14.109 1.00 0.00 H new ATOM 0 HB VAL A 55 12.750 -15.017 11.171 1.00 0.00 H new ATOM 0 HG11 VAL A 55 11.355 -13.042 10.705 1.00 0.00 H new ATOM 0 HG12 VAL A 55 10.420 -14.351 11.466 1.00 0.00 H new ATOM 0 HG13 VAL A 55 10.927 -12.943 12.430 1.00 0.00 H new ATOM 0 HG21 VAL A 55 13.744 -12.755 11.215 1.00 0.00 H new ATOM 0 HG22 VAL A 55 13.420 -12.655 12.962 1.00 0.00 H new ATOM 0 HG23 VAL A 55 14.570 -13.862 12.338 1.00 0.00 H new ATOM 574 N ALA A 56 11.215 -17.123 12.423 1.00 0.00 N ATOM 575 CA ALA A 56 10.120 -18.065 12.256 1.00 0.00 C ATOM 576 C ALA A 56 9.832 -18.794 13.562 1.00 0.00 C ATOM 577 O ALA A 56 8.681 -19.091 13.873 1.00 0.00 O ATOM 578 CB ALA A 56 10.434 -19.057 11.147 1.00 0.00 C ATOM 0 H ALA A 56 12.063 -17.371 11.913 1.00 0.00 H new ATOM 0 HA ALA A 56 9.228 -17.506 11.975 1.00 0.00 H new ATOM 0 HB1 ALA A 56 9.603 -19.754 11.036 1.00 0.00 H new ATOM 0 HB2 ALA A 56 10.584 -18.520 10.210 1.00 0.00 H new ATOM 0 HB3 ALA A 56 11.340 -19.609 11.398 1.00 0.00 H new ATOM 584 N TYR A 57 10.880 -19.069 14.329 1.00 0.00 N ATOM 585 CA TYR A 57 10.734 -19.736 15.617 1.00 0.00 C ATOM 586 C TYR A 57 9.922 -18.882 16.587 1.00 0.00 C ATOM 587 O TYR A 57 9.040 -19.382 17.286 1.00 0.00 O ATOM 588 CB TYR A 57 12.106 -20.044 16.221 1.00 0.00 C ATOM 589 CG TYR A 57 12.376 -21.523 16.356 1.00 0.00 C ATOM 590 CD1 TYR A 57 11.692 -22.286 17.290 1.00 0.00 C ATOM 591 CD2 TYR A 57 13.308 -22.154 15.544 1.00 0.00 C ATOM 592 CE1 TYR A 57 11.929 -23.641 17.414 1.00 0.00 C ATOM 593 CE2 TYR A 57 13.551 -23.508 15.660 1.00 0.00 C ATOM 594 CZ TYR A 57 12.859 -24.246 16.596 1.00 0.00 C ATOM 595 OH TYR A 57 13.093 -25.598 16.709 1.00 0.00 O ATOM 0 H TYR A 57 11.842 -18.840 14.081 1.00 0.00 H new ATOM 0 HA TYR A 57 10.201 -20.672 15.449 1.00 0.00 H new ATOM 0 HB2 TYR A 57 12.880 -19.595 15.598 1.00 0.00 H new ATOM 0 HB3 TYR A 57 12.177 -19.577 17.203 1.00 0.00 H new ATOM 0 HD1 TYR A 57 10.962 -21.813 17.931 1.00 0.00 H new ATOM 0 HD2 TYR A 57 13.851 -21.577 14.810 1.00 0.00 H new ATOM 0 HE1 TYR A 57 11.389 -24.223 18.147 1.00 0.00 H new ATOM 0 HE2 TYR A 57 14.279 -23.986 15.021 1.00 0.00 H new ATOM 0 HH TYR A 57 13.776 -25.867 16.060 1.00 0.00 H new ATOM 605 N ALA A 58 10.218 -17.591 16.614 1.00 0.00 N ATOM 606 CA ALA A 58 9.562 -16.676 17.535 1.00 0.00 C ATOM 607 C ALA A 58 8.166 -16.291 17.053 1.00 0.00 C ATOM 608 O ALA A 58 7.211 -16.318 17.826 1.00 0.00 O ATOM 609 CB ALA A 58 10.417 -15.434 17.736 1.00 0.00 C ATOM 0 H ALA A 58 10.910 -17.153 16.007 1.00 0.00 H new ATOM 0 HA ALA A 58 9.447 -17.190 18.489 1.00 0.00 H new ATOM 0 HB1 ALA A 58 9.917 -14.756 18.427 1.00 0.00 H new ATOM 0 HB2 ALA A 58 11.385 -15.721 18.146 1.00 0.00 H new ATOM 0 HB3 ALA A 58 10.563 -14.934 16.779 1.00 0.00 H new ATOM 615 N LEU A 59 8.046 -15.943 15.779 1.00 0.00 N ATOM 616 CA LEU A 59 6.789 -15.431 15.243 1.00 0.00 C ATOM 617 C LEU A 59 5.836 -16.552 14.844 1.00 0.00 C ATOM 618 O LEU A 59 4.640 -16.321 14.657 1.00 0.00 O ATOM 619 CB LEU A 59 7.062 -14.532 14.038 1.00 0.00 C ATOM 620 CG LEU A 59 7.198 -13.043 14.360 1.00 0.00 C ATOM 621 CD1 LEU A 59 7.873 -12.306 13.213 1.00 0.00 C ATOM 622 CD2 LEU A 59 5.836 -12.435 14.649 1.00 0.00 C ATOM 0 H LEU A 59 8.802 -16.005 15.097 1.00 0.00 H new ATOM 0 HA LEU A 59 6.309 -14.855 16.034 1.00 0.00 H new ATOM 0 HB2 LEU A 59 7.978 -14.869 13.553 1.00 0.00 H new ATOM 0 HB3 LEU A 59 6.254 -14.660 13.318 1.00 0.00 H new ATOM 0 HG LEU A 59 7.820 -12.941 15.249 1.00 0.00 H new ATOM 0 HD11 LEU A 59 7.960 -11.248 13.461 1.00 0.00 H new ATOM 0 HD12 LEU A 59 8.866 -12.723 13.047 1.00 0.00 H new ATOM 0 HD13 LEU A 59 7.277 -12.418 12.308 1.00 0.00 H new ATOM 0 HD21 LEU A 59 5.951 -11.375 14.876 1.00 0.00 H new ATOM 0 HD22 LEU A 59 5.193 -12.551 13.776 1.00 0.00 H new ATOM 0 HD23 LEU A 59 5.385 -12.942 15.502 1.00 0.00 H new ATOM 634 N GLY A 60 6.359 -17.762 14.709 1.00 0.00 N ATOM 635 CA GLY A 60 5.532 -18.877 14.288 1.00 0.00 C ATOM 636 C GLY A 60 5.388 -18.927 12.781 1.00 0.00 C ATOM 637 O GLY A 60 4.484 -19.571 12.249 1.00 0.00 O ATOM 0 H GLY A 60 7.337 -17.992 14.882 1.00 0.00 H new ATOM 0 HA2 GLY A 60 5.970 -19.810 14.643 1.00 0.00 H new ATOM 0 HA3 GLY A 60 4.546 -18.793 14.746 1.00 0.00 H new ATOM 641 N THR A 61 6.285 -18.232 12.098 1.00 0.00 N ATOM 642 CA THR A 61 6.278 -18.160 10.647 1.00 0.00 C ATOM 643 C THR A 61 6.647 -19.503 10.019 1.00 0.00 C ATOM 644 O THR A 61 7.508 -20.221 10.532 1.00 0.00 O ATOM 645 CB THR A 61 7.273 -17.088 10.168 1.00 0.00 C ATOM 646 OG1 THR A 61 7.722 -16.315 11.292 1.00 0.00 O ATOM 647 CG2 THR A 61 6.639 -16.170 9.137 1.00 0.00 C ATOM 0 H THR A 61 7.039 -17.702 12.536 1.00 0.00 H new ATOM 0 HA THR A 61 5.267 -17.897 10.334 1.00 0.00 H new ATOM 0 HB THR A 61 8.120 -17.591 9.700 1.00 0.00 H new ATOM 0 HG1 THR A 61 8.357 -15.633 10.988 1.00 0.00 H new ATOM 0 HG21 THR A 61 7.367 -15.424 8.818 1.00 0.00 H new ATOM 0 HG22 THR A 61 6.319 -16.756 8.276 1.00 0.00 H new ATOM 0 HG23 THR A 61 5.776 -15.670 9.577 1.00 0.00 H new ATOM 655 N PRO A 62 5.979 -19.869 8.915 1.00 0.00 N ATOM 656 CA PRO A 62 6.327 -21.061 8.147 1.00 0.00 C ATOM 657 C PRO A 62 7.642 -20.876 7.397 1.00 0.00 C ATOM 658 O PRO A 62 8.071 -19.745 7.154 1.00 0.00 O ATOM 659 CB PRO A 62 5.164 -21.218 7.152 1.00 0.00 C ATOM 660 CG PRO A 62 4.107 -20.269 7.613 1.00 0.00 C ATOM 661 CD PRO A 62 4.828 -19.167 8.334 1.00 0.00 C ATOM 0 HA PRO A 62 6.465 -21.933 8.786 1.00 0.00 H new ATOM 0 HB2 PRO A 62 5.484 -20.985 6.136 1.00 0.00 H new ATOM 0 HB3 PRO A 62 4.793 -22.243 7.142 1.00 0.00 H new ATOM 0 HG2 PRO A 62 3.539 -19.877 6.769 1.00 0.00 H new ATOM 0 HG3 PRO A 62 3.396 -20.767 8.272 1.00 0.00 H new ATOM 0 HD2 PRO A 62 5.137 -18.372 7.655 1.00 0.00 H new ATOM 0 HD3 PRO A 62 4.204 -18.707 9.100 1.00 0.00 H new ATOM 669 N LEU A 63 8.272 -21.988 7.034 1.00 0.00 N ATOM 670 CA LEU A 63 9.538 -21.956 6.303 1.00 0.00 C ATOM 671 C LEU A 63 9.373 -21.246 4.961 1.00 0.00 C ATOM 672 O LEU A 63 8.405 -21.480 4.235 1.00 0.00 O ATOM 673 CB LEU A 63 10.078 -23.377 6.088 1.00 0.00 C ATOM 674 CG LEU A 63 9.338 -24.219 5.046 1.00 0.00 C ATOM 675 CD1 LEU A 63 10.318 -24.802 4.038 1.00 0.00 C ATOM 676 CD2 LEU A 63 8.549 -25.329 5.721 1.00 0.00 C ATOM 0 H LEU A 63 7.927 -22.927 7.234 1.00 0.00 H new ATOM 0 HA LEU A 63 10.257 -21.398 6.903 1.00 0.00 H new ATOM 0 HB2 LEU A 63 11.125 -23.307 5.794 1.00 0.00 H new ATOM 0 HB3 LEU A 63 10.049 -23.905 7.041 1.00 0.00 H new ATOM 0 HG LEU A 63 8.640 -23.572 4.515 1.00 0.00 H new ATOM 0 HD11 LEU A 63 9.774 -25.398 3.305 1.00 0.00 H new ATOM 0 HD12 LEU A 63 10.843 -23.992 3.531 1.00 0.00 H new ATOM 0 HD13 LEU A 63 11.040 -25.434 4.556 1.00 0.00 H new ATOM 0 HD21 LEU A 63 8.029 -25.918 4.965 1.00 0.00 H new ATOM 0 HD22 LEU A 63 9.230 -25.973 6.277 1.00 0.00 H new ATOM 0 HD23 LEU A 63 7.821 -24.894 6.406 1.00 0.00 H new ATOM 688 N MET A 64 10.319 -20.371 4.644 1.00 0.00 N ATOM 689 CA MET A 64 10.283 -19.621 3.398 1.00 0.00 C ATOM 690 C MET A 64 11.676 -19.531 2.788 1.00 0.00 C ATOM 691 O MET A 64 12.637 -19.165 3.463 1.00 0.00 O ATOM 692 CB MET A 64 9.711 -18.217 3.635 1.00 0.00 C ATOM 693 CG MET A 64 9.967 -17.238 2.496 1.00 0.00 C ATOM 694 SD MET A 64 9.154 -17.726 0.962 1.00 0.00 S ATOM 695 CE MET A 64 8.211 -16.244 0.604 1.00 0.00 C ATOM 0 H MET A 64 11.123 -20.164 5.236 1.00 0.00 H new ATOM 0 HA MET A 64 9.634 -20.147 2.698 1.00 0.00 H new ATOM 0 HB2 MET A 64 8.636 -18.297 3.795 1.00 0.00 H new ATOM 0 HB3 MET A 64 10.141 -17.812 4.551 1.00 0.00 H new ATOM 0 HG2 MET A 64 9.618 -16.248 2.788 1.00 0.00 H new ATOM 0 HG3 MET A 64 11.041 -17.160 2.324 1.00 0.00 H new ATOM 0 HE1 MET A 64 7.649 -16.384 -0.319 1.00 0.00 H new ATOM 0 HE2 MET A 64 7.519 -16.046 1.423 1.00 0.00 H new ATOM 0 HE3 MET A 64 8.890 -15.399 0.491 1.00 0.00 H new ATOM 705 N SER A 65 11.777 -19.892 1.519 1.00 0.00 N ATOM 706 CA SER A 65 13.031 -19.807 0.783 1.00 0.00 C ATOM 707 C SER A 65 12.740 -19.550 -0.694 1.00 0.00 C ATOM 708 O SER A 65 12.918 -20.427 -1.540 1.00 0.00 O ATOM 709 CB SER A 65 13.843 -21.096 0.957 1.00 0.00 C ATOM 710 OG SER A 65 13.865 -21.513 2.317 1.00 0.00 O ATOM 0 H SER A 65 10.996 -20.251 0.970 1.00 0.00 H new ATOM 0 HA SER A 65 13.622 -18.980 1.177 1.00 0.00 H new ATOM 0 HB2 SER A 65 13.414 -21.885 0.339 1.00 0.00 H new ATOM 0 HB3 SER A 65 14.863 -20.936 0.607 1.00 0.00 H new ATOM 0 HG SER A 65 14.388 -22.338 2.398 1.00 0.00 H new ATOM 716 N ASP A 66 12.289 -18.337 -0.989 1.00 0.00 N ATOM 717 CA ASP A 66 11.833 -17.986 -2.320 1.00 0.00 C ATOM 718 C ASP A 66 13.005 -17.847 -3.279 1.00 0.00 C ATOM 719 O ASP A 66 13.906 -17.034 -3.065 1.00 0.00 O ATOM 720 CB ASP A 66 11.036 -16.684 -2.267 1.00 0.00 C ATOM 721 CG ASP A 66 10.609 -16.213 -3.638 1.00 0.00 C ATOM 722 OD1 ASP A 66 9.600 -16.727 -4.161 1.00 0.00 O ATOM 723 OD2 ASP A 66 11.279 -15.325 -4.197 1.00 0.00 O ATOM 0 H ASP A 66 12.231 -17.575 -0.313 1.00 0.00 H new ATOM 0 HA ASP A 66 11.190 -18.786 -2.687 1.00 0.00 H new ATOM 0 HB2 ASP A 66 10.153 -16.827 -1.644 1.00 0.00 H new ATOM 0 HB3 ASP A 66 11.640 -15.911 -1.792 1.00 0.00 H new ATOM 728 N PRO A 67 13.000 -18.643 -4.355 1.00 0.00 N ATOM 729 CA PRO A 67 14.063 -18.635 -5.358 1.00 0.00 C ATOM 730 C PRO A 67 13.941 -17.461 -6.323 1.00 0.00 C ATOM 731 O PRO A 67 14.789 -17.267 -7.193 1.00 0.00 O ATOM 732 CB PRO A 67 13.851 -19.955 -6.092 1.00 0.00 C ATOM 733 CG PRO A 67 12.385 -20.199 -6.000 1.00 0.00 C ATOM 734 CD PRO A 67 11.950 -19.629 -4.675 1.00 0.00 C ATOM 0 HA PRO A 67 15.052 -18.530 -4.911 1.00 0.00 H new ATOM 0 HB2 PRO A 67 14.179 -19.890 -7.130 1.00 0.00 H new ATOM 0 HB3 PRO A 67 14.418 -20.763 -5.629 1.00 0.00 H new ATOM 0 HG2 PRO A 67 11.857 -19.718 -6.824 1.00 0.00 H new ATOM 0 HG3 PRO A 67 12.163 -21.265 -6.058 1.00 0.00 H new ATOM 0 HD2 PRO A 67 10.968 -19.160 -4.744 1.00 0.00 H new ATOM 0 HD3 PRO A 67 11.881 -20.402 -3.910 1.00 0.00 H new ATOM 742 N PHE A 68 12.889 -16.672 -6.163 1.00 0.00 N ATOM 743 CA PHE A 68 12.626 -15.576 -7.087 1.00 0.00 C ATOM 744 C PHE A 68 13.310 -14.301 -6.609 1.00 0.00 C ATOM 745 O PHE A 68 13.542 -13.375 -7.387 1.00 0.00 O ATOM 746 CB PHE A 68 11.121 -15.349 -7.247 1.00 0.00 C ATOM 747 CG PHE A 68 10.477 -16.277 -8.243 1.00 0.00 C ATOM 748 CD1 PHE A 68 10.288 -17.617 -7.944 1.00 0.00 C ATOM 749 CD2 PHE A 68 10.058 -15.805 -9.476 1.00 0.00 C ATOM 750 CE1 PHE A 68 9.695 -18.470 -8.856 1.00 0.00 C ATOM 751 CE2 PHE A 68 9.464 -16.653 -10.393 1.00 0.00 C ATOM 752 CZ PHE A 68 9.282 -17.985 -10.082 1.00 0.00 C ATOM 0 H PHE A 68 12.208 -16.767 -5.409 1.00 0.00 H new ATOM 0 HA PHE A 68 13.035 -15.845 -8.061 1.00 0.00 H new ATOM 0 HB2 PHE A 68 10.637 -15.476 -6.278 1.00 0.00 H new ATOM 0 HB3 PHE A 68 10.948 -14.319 -7.557 1.00 0.00 H new ATOM 0 HD1 PHE A 68 10.608 -18.000 -6.986 1.00 0.00 H new ATOM 0 HD2 PHE A 68 10.197 -14.763 -9.724 1.00 0.00 H new ATOM 0 HE1 PHE A 68 9.555 -19.512 -8.611 1.00 0.00 H new ATOM 0 HE2 PHE A 68 9.143 -16.273 -11.352 1.00 0.00 H new ATOM 0 HZ PHE A 68 8.817 -18.648 -10.797 1.00 0.00 H new ATOM 762 N GLY A 69 13.638 -14.268 -5.326 1.00 0.00 N ATOM 763 CA GLY A 69 14.327 -13.135 -4.760 1.00 0.00 C ATOM 764 C GLY A 69 13.405 -12.336 -3.880 1.00 0.00 C ATOM 765 O GLY A 69 13.771 -11.281 -3.359 1.00 0.00 O ATOM 0 H GLY A 69 13.435 -15.016 -4.663 1.00 0.00 H new ATOM 0 HA2 GLY A 69 15.185 -13.477 -4.181 1.00 0.00 H new ATOM 0 HA3 GLY A 69 14.714 -12.502 -5.559 1.00 0.00 H new ATOM 769 N THR A 70 12.200 -12.852 -3.710 1.00 0.00 N ATOM 770 CA THR A 70 11.213 -12.212 -2.874 1.00 0.00 C ATOM 771 C THR A 70 11.345 -12.700 -1.438 1.00 0.00 C ATOM 772 O THR A 70 10.659 -13.627 -1.012 1.00 0.00 O ATOM 773 CB THR A 70 9.789 -12.483 -3.393 1.00 0.00 C ATOM 774 OG1 THR A 70 9.855 -13.154 -4.662 1.00 0.00 O ATOM 775 CG2 THR A 70 9.009 -11.186 -3.539 1.00 0.00 C ATOM 0 H THR A 70 11.885 -13.719 -4.146 1.00 0.00 H new ATOM 0 HA THR A 70 11.389 -11.137 -2.905 1.00 0.00 H new ATOM 0 HB THR A 70 9.274 -13.116 -2.670 1.00 0.00 H new ATOM 0 HG1 THR A 70 10.081 -14.097 -4.522 1.00 0.00 H new ATOM 0 HG21 THR A 70 8.006 -11.404 -3.907 1.00 0.00 H new ATOM 0 HG22 THR A 70 8.940 -10.692 -2.570 1.00 0.00 H new ATOM 0 HG23 THR A 70 9.520 -10.531 -4.245 1.00 0.00 H new ATOM 783 N ASN A 71 12.233 -12.062 -0.695 1.00 0.00 N ATOM 784 CA ASN A 71 12.508 -12.460 0.675 1.00 0.00 C ATOM 785 C ASN A 71 11.793 -11.532 1.640 1.00 0.00 C ATOM 786 O ASN A 71 12.389 -10.995 2.576 1.00 0.00 O ATOM 787 CB ASN A 71 14.013 -12.447 0.948 1.00 0.00 C ATOM 788 CG ASN A 71 14.772 -13.439 0.089 1.00 0.00 C ATOM 789 OD1 ASN A 71 14.830 -14.631 0.391 1.00 0.00 O ATOM 790 ND2 ASN A 71 15.362 -12.954 -0.994 1.00 0.00 N ATOM 0 H ASN A 71 12.778 -11.263 -1.019 1.00 0.00 H new ATOM 0 HA ASN A 71 12.140 -13.476 0.821 1.00 0.00 H new ATOM 0 HB2 ASN A 71 14.402 -11.445 0.768 1.00 0.00 H new ATOM 0 HB3 ASN A 71 14.189 -12.674 2.000 1.00 0.00 H new ATOM 0 HD21 ASN A 71 15.887 -13.575 -1.610 1.00 0.00 H new ATOM 0 HD22 ASN A 71 15.292 -11.960 -1.211 1.00 0.00 H new ATOM 797 N THR A 72 10.513 -11.334 1.389 1.00 0.00 N ATOM 798 CA THR A 72 9.703 -10.458 2.205 1.00 0.00 C ATOM 799 C THR A 72 8.651 -11.252 2.967 1.00 0.00 C ATOM 800 O THR A 72 7.908 -12.042 2.381 1.00 0.00 O ATOM 801 CB THR A 72 9.009 -9.392 1.341 1.00 0.00 C ATOM 802 OG1 THR A 72 9.132 -9.737 -0.048 1.00 0.00 O ATOM 803 CG2 THR A 72 9.613 -8.016 1.576 1.00 0.00 C ATOM 0 H THR A 72 10.010 -11.774 0.618 1.00 0.00 H new ATOM 0 HA THR A 72 10.365 -9.964 2.917 1.00 0.00 H new ATOM 0 HB THR A 72 7.957 -9.360 1.623 1.00 0.00 H new ATOM 0 HG1 THR A 72 8.687 -9.056 -0.595 1.00 0.00 H new ATOM 0 HG21 THR A 72 9.102 -7.283 0.952 1.00 0.00 H new ATOM 0 HG22 THR A 72 9.498 -7.742 2.625 1.00 0.00 H new ATOM 0 HG23 THR A 72 10.672 -8.035 1.320 1.00 0.00 H new ATOM 811 N TRP A 73 8.597 -11.047 4.271 1.00 0.00 N ATOM 812 CA TRP A 73 7.592 -11.688 5.099 1.00 0.00 C ATOM 813 C TRP A 73 6.514 -10.677 5.453 1.00 0.00 C ATOM 814 O TRP A 73 6.820 -9.551 5.848 1.00 0.00 O ATOM 815 CB TRP A 73 8.222 -12.258 6.370 1.00 0.00 C ATOM 816 CG TRP A 73 8.446 -13.741 6.314 1.00 0.00 C ATOM 817 CD1 TRP A 73 7.694 -14.660 5.638 1.00 0.00 C ATOM 818 CD2 TRP A 73 9.492 -14.476 6.961 1.00 0.00 C ATOM 819 NE1 TRP A 73 8.210 -15.920 5.824 1.00 0.00 N ATOM 820 CE2 TRP A 73 9.314 -15.834 6.631 1.00 0.00 C ATOM 821 CE3 TRP A 73 10.565 -14.120 7.780 1.00 0.00 C ATOM 822 CZ2 TRP A 73 10.163 -16.832 7.099 1.00 0.00 C ATOM 823 CZ3 TRP A 73 11.406 -15.113 8.245 1.00 0.00 C ATOM 824 CH2 TRP A 73 11.203 -16.453 7.899 1.00 0.00 C ATOM 0 H TRP A 73 9.239 -10.440 4.780 1.00 0.00 H new ATOM 0 HA TRP A 73 7.147 -12.514 4.543 1.00 0.00 H new ATOM 0 HB2 TRP A 73 9.176 -11.761 6.548 1.00 0.00 H new ATOM 0 HB3 TRP A 73 7.579 -12.027 7.220 1.00 0.00 H new ATOM 0 HD1 TRP A 73 6.822 -14.430 5.044 1.00 0.00 H new ATOM 0 HE1 TRP A 73 7.832 -16.780 5.426 1.00 0.00 H new ATOM 0 HE3 TRP A 73 10.735 -13.087 8.045 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 10.005 -17.868 6.839 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 12.234 -14.850 8.886 1.00 0.00 H new ATOM 0 HH2 TRP A 73 11.883 -17.204 8.272 1.00 0.00 H new ATOM 835 N PHE A 74 5.261 -11.071 5.292 1.00 0.00 N ATOM 836 CA PHE A 74 4.146 -10.162 5.503 1.00 0.00 C ATOM 837 C PHE A 74 3.390 -10.521 6.775 1.00 0.00 C ATOM 838 O PHE A 74 2.972 -11.664 6.955 1.00 0.00 O ATOM 839 CB PHE A 74 3.193 -10.204 4.307 1.00 0.00 C ATOM 840 CG PHE A 74 3.707 -9.479 3.092 1.00 0.00 C ATOM 841 CD1 PHE A 74 4.656 -10.066 2.267 1.00 0.00 C ATOM 842 CD2 PHE A 74 3.237 -8.216 2.772 1.00 0.00 C ATOM 843 CE1 PHE A 74 5.124 -9.405 1.147 1.00 0.00 C ATOM 844 CE2 PHE A 74 3.702 -7.550 1.654 1.00 0.00 C ATOM 845 CZ PHE A 74 4.646 -8.147 0.840 1.00 0.00 C ATOM 0 H PHE A 74 4.990 -12.015 5.016 1.00 0.00 H new ATOM 0 HA PHE A 74 4.546 -9.153 5.607 1.00 0.00 H new ATOM 0 HB2 PHE A 74 3.002 -11.244 4.044 1.00 0.00 H new ATOM 0 HB3 PHE A 74 2.238 -9.769 4.601 1.00 0.00 H new ATOM 0 HD1 PHE A 74 5.033 -11.050 2.503 1.00 0.00 H new ATOM 0 HD2 PHE A 74 2.498 -7.746 3.404 1.00 0.00 H new ATOM 0 HE1 PHE A 74 5.863 -9.872 0.513 1.00 0.00 H new ATOM 0 HE2 PHE A 74 3.328 -6.565 1.417 1.00 0.00 H new ATOM 0 HZ PHE A 74 5.009 -7.630 -0.036 1.00 0.00 H new ATOM 855 N TYR A 75 3.236 -9.549 7.660 1.00 0.00 N ATOM 856 CA TYR A 75 2.445 -9.730 8.866 1.00 0.00 C ATOM 857 C TYR A 75 1.593 -8.497 9.114 1.00 0.00 C ATOM 858 O TYR A 75 1.929 -7.401 8.666 1.00 0.00 O ATOM 859 CB TYR A 75 3.341 -10.003 10.074 1.00 0.00 C ATOM 860 CG TYR A 75 3.506 -11.478 10.374 1.00 0.00 C ATOM 861 CD1 TYR A 75 2.408 -12.332 10.367 1.00 0.00 C ATOM 862 CD2 TYR A 75 4.754 -12.018 10.657 1.00 0.00 C ATOM 863 CE1 TYR A 75 2.549 -13.680 10.635 1.00 0.00 C ATOM 864 CE2 TYR A 75 4.902 -13.368 10.928 1.00 0.00 C ATOM 865 CZ TYR A 75 3.796 -14.194 10.914 1.00 0.00 C ATOM 866 OH TYR A 75 3.935 -15.537 11.178 1.00 0.00 O ATOM 0 H TYR A 75 3.651 -8.622 7.564 1.00 0.00 H new ATOM 0 HA TYR A 75 1.796 -10.594 8.725 1.00 0.00 H new ATOM 0 HB2 TYR A 75 4.322 -9.563 9.897 1.00 0.00 H new ATOM 0 HB3 TYR A 75 2.922 -9.506 10.949 1.00 0.00 H new ATOM 0 HD1 TYR A 75 1.428 -11.934 10.148 1.00 0.00 H new ATOM 0 HD2 TYR A 75 5.622 -11.375 10.666 1.00 0.00 H new ATOM 0 HE1 TYR A 75 1.685 -14.328 10.626 1.00 0.00 H new ATOM 0 HE2 TYR A 75 5.878 -13.773 11.149 1.00 0.00 H new ATOM 0 HH TYR A 75 3.247 -16.039 10.693 1.00 0.00 H new ATOM 876 N VAL A 76 0.485 -8.677 9.814 1.00 0.00 N ATOM 877 CA VAL A 76 -0.399 -7.569 10.132 1.00 0.00 C ATOM 878 C VAL A 76 -1.032 -7.764 11.497 1.00 0.00 C ATOM 879 O VAL A 76 -1.583 -8.827 11.796 1.00 0.00 O ATOM 880 CB VAL A 76 -1.519 -7.391 9.081 1.00 0.00 C ATOM 881 CG1 VAL A 76 -1.100 -6.381 8.026 1.00 0.00 C ATOM 882 CG2 VAL A 76 -1.888 -8.722 8.439 1.00 0.00 C ATOM 0 H VAL A 76 0.177 -9.581 10.173 1.00 0.00 H new ATOM 0 HA VAL A 76 0.218 -6.670 10.131 1.00 0.00 H new ATOM 0 HB VAL A 76 -2.405 -7.012 9.591 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -1.899 -6.267 7.294 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -0.903 -5.420 8.501 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -0.197 -6.731 7.526 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -2.678 -8.565 7.704 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -1.012 -9.143 7.946 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -2.238 -9.412 9.207 1.00 0.00 H new ATOM 892 N PHE A 77 -0.929 -6.744 12.327 1.00 0.00 N ATOM 893 CA PHE A 77 -1.551 -6.762 13.638 1.00 0.00 C ATOM 894 C PHE A 77 -2.408 -5.519 13.813 1.00 0.00 C ATOM 895 O PHE A 77 -2.396 -4.628 12.964 1.00 0.00 O ATOM 896 CB PHE A 77 -0.503 -6.852 14.757 1.00 0.00 C ATOM 897 CG PHE A 77 0.727 -6.008 14.547 1.00 0.00 C ATOM 898 CD1 PHE A 77 1.814 -6.500 13.839 1.00 0.00 C ATOM 899 CD2 PHE A 77 0.804 -4.729 15.078 1.00 0.00 C ATOM 900 CE1 PHE A 77 2.950 -5.733 13.664 1.00 0.00 C ATOM 901 CE2 PHE A 77 1.936 -3.957 14.903 1.00 0.00 C ATOM 902 CZ PHE A 77 3.011 -4.460 14.196 1.00 0.00 C ATOM 0 H PHE A 77 -0.417 -5.887 12.115 1.00 0.00 H new ATOM 0 HA PHE A 77 -2.180 -7.649 13.707 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -0.971 -6.558 15.697 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -0.197 -7.893 14.865 1.00 0.00 H new ATOM 0 HD1 PHE A 77 1.772 -7.494 13.420 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -0.032 -4.332 15.635 1.00 0.00 H new ATOM 0 HE1 PHE A 77 3.789 -6.129 13.112 1.00 0.00 H new ATOM 0 HE2 PHE A 77 1.981 -2.961 15.318 1.00 0.00 H new ATOM 0 HZ PHE A 77 3.898 -3.859 14.060 1.00 0.00 H new ATOM 912 N ARG A 78 -3.146 -5.460 14.910 1.00 0.00 N ATOM 913 CA ARG A 78 -4.053 -4.347 15.159 1.00 0.00 C ATOM 914 C ARG A 78 -3.383 -3.272 16.001 1.00 0.00 C ATOM 915 O ARG A 78 -2.771 -3.561 17.030 1.00 0.00 O ATOM 916 CB ARG A 78 -5.332 -4.824 15.851 1.00 0.00 C ATOM 917 CG ARG A 78 -5.338 -6.303 16.208 1.00 0.00 C ATOM 918 CD ARG A 78 -6.491 -7.043 15.541 1.00 0.00 C ATOM 919 NE ARG A 78 -7.676 -6.200 15.380 1.00 0.00 N ATOM 920 CZ ARG A 78 -8.635 -6.070 16.297 1.00 0.00 C ATOM 921 NH1 ARG A 78 -8.573 -6.750 17.436 1.00 0.00 N ATOM 922 NH2 ARG A 78 -9.659 -5.261 16.067 1.00 0.00 N ATOM 0 H ARG A 78 -3.136 -6.169 15.643 1.00 0.00 H new ATOM 0 HA ARG A 78 -4.316 -3.920 14.191 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -5.477 -4.242 16.761 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -6.182 -4.616 15.201 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -4.393 -6.754 15.904 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -5.412 -6.415 17.290 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -6.170 -7.405 14.564 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -6.750 -7.919 16.136 1.00 0.00 H new ATOM 0 HE ARG A 78 -7.775 -5.678 14.509 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -7.788 -7.377 17.614 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -9.310 -6.646 18.133 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -9.711 -4.741 15.191 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -10.395 -5.159 16.766 1.00 0.00 H new ATOM 936 N GLN A 79 -3.499 -2.035 15.546 1.00 0.00 N ATOM 937 CA GLN A 79 -2.947 -0.887 16.258 1.00 0.00 C ATOM 938 C GLN A 79 -3.785 0.354 15.969 1.00 0.00 C ATOM 939 O GLN A 79 -3.900 1.249 16.804 1.00 0.00 O ATOM 940 CB GLN A 79 -1.469 -0.655 15.892 1.00 0.00 C ATOM 941 CG GLN A 79 -1.216 -0.216 14.455 1.00 0.00 C ATOM 942 CD GLN A 79 -1.648 -1.250 13.434 1.00 0.00 C ATOM 943 OE1 GLN A 79 -2.667 -1.090 12.757 1.00 0.00 O ATOM 944 NE2 GLN A 79 -0.871 -2.310 13.307 1.00 0.00 N ATOM 0 H GLN A 79 -3.976 -1.796 14.677 1.00 0.00 H new ATOM 0 HA GLN A 79 -2.984 -1.095 17.327 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -1.060 0.100 16.563 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -0.917 -1.577 16.076 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -1.748 0.716 14.267 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -0.154 -0.008 14.326 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -0.037 -2.403 13.887 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -1.105 -3.035 12.629 1.00 0.00 H new ATOM 953 N GLN A 80 -4.363 0.390 14.774 1.00 0.00 N ATOM 954 CA GLN A 80 -5.323 1.420 14.401 1.00 0.00 C ATOM 955 C GLN A 80 -6.602 0.742 13.916 1.00 0.00 C ATOM 956 O GLN A 80 -6.791 0.539 12.714 1.00 0.00 O ATOM 957 CB GLN A 80 -4.751 2.330 13.308 1.00 0.00 C ATOM 958 CG GLN A 80 -3.459 3.034 13.701 1.00 0.00 C ATOM 959 CD GLN A 80 -2.332 2.802 12.707 1.00 0.00 C ATOM 960 OE1 GLN A 80 -1.407 3.605 12.592 1.00 0.00 O ATOM 961 NE2 GLN A 80 -2.397 1.699 11.981 1.00 0.00 N ATOM 0 H GLN A 80 -4.179 -0.293 14.039 1.00 0.00 H new ATOM 0 HA GLN A 80 -5.541 2.044 15.268 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -4.571 1.736 12.412 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -5.497 3.081 13.048 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -3.646 4.104 13.787 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -3.146 2.685 14.685 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -3.178 1.054 12.102 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -1.666 1.493 11.300 1.00 0.00 H new ATOM 970 N PRO A 81 -7.479 0.352 14.856 1.00 0.00 N ATOM 971 CA PRO A 81 -8.666 -0.459 14.554 1.00 0.00 C ATOM 972 C PRO A 81 -9.700 0.271 13.701 1.00 0.00 C ATOM 973 O PRO A 81 -10.270 -0.312 12.776 1.00 0.00 O ATOM 974 CB PRO A 81 -9.243 -0.785 15.934 1.00 0.00 C ATOM 975 CG PRO A 81 -8.723 0.280 16.836 1.00 0.00 C ATOM 976 CD PRO A 81 -7.378 0.672 16.291 1.00 0.00 C ATOM 0 HA PRO A 81 -8.401 -1.337 13.965 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -10.333 -0.787 15.915 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -8.928 -1.773 16.269 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -9.398 1.135 16.858 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -8.637 -0.085 17.860 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -7.173 1.730 16.452 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -6.573 0.115 16.770 1.00 0.00 H new ATOM 984 N GLY A 82 -9.949 1.537 14.010 1.00 0.00 N ATOM 985 CA GLY A 82 -10.943 2.288 13.272 1.00 0.00 C ATOM 986 C GLY A 82 -10.959 3.757 13.634 1.00 0.00 C ATOM 987 O GLY A 82 -10.856 4.120 14.806 1.00 0.00 O ATOM 0 H GLY A 82 -9.482 2.054 14.755 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -10.751 2.184 12.204 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -11.928 1.861 13.461 1.00 0.00 H new ATOM 991 N HIS A 83 -11.094 4.592 12.615 1.00 0.00 N ATOM 992 CA HIS A 83 -11.153 6.041 12.773 1.00 0.00 C ATOM 993 C HIS A 83 -11.430 6.692 11.421 1.00 0.00 C ATOM 994 O HIS A 83 -12.210 7.640 11.317 1.00 0.00 O ATOM 995 CB HIS A 83 -9.844 6.587 13.348 1.00 0.00 C ATOM 996 CG HIS A 83 -10.041 7.724 14.302 1.00 0.00 C ATOM 997 ND1 HIS A 83 -9.971 7.581 15.670 1.00 0.00 N ATOM 998 CD2 HIS A 83 -10.311 9.033 14.077 1.00 0.00 C ATOM 999 CE1 HIS A 83 -10.192 8.747 16.245 1.00 0.00 C ATOM 1000 NE2 HIS A 83 -10.400 9.645 15.303 1.00 0.00 N ATOM 0 H HIS A 83 -11.166 4.282 11.646 1.00 0.00 H new ATOM 0 HA HIS A 83 -11.957 6.277 13.470 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -9.316 5.781 13.859 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -9.206 6.917 12.528 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -10.433 9.506 13.114 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -10.201 8.934 17.309 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -10.595 10.634 15.459 1.00 0.00 H new ATOM 1009 N GLU A 84 -10.779 6.169 10.389 1.00 0.00 N ATOM 1010 CA GLU A 84 -10.955 6.670 9.033 1.00 0.00 C ATOM 1011 C GLU A 84 -11.284 5.526 8.078 1.00 0.00 C ATOM 1012 O GLU A 84 -11.482 5.733 6.881 1.00 0.00 O ATOM 1013 CB GLU A 84 -9.683 7.381 8.572 1.00 0.00 C ATOM 1014 CG GLU A 84 -9.479 8.750 9.203 1.00 0.00 C ATOM 1015 CD GLU A 84 -9.185 9.821 8.175 1.00 0.00 C ATOM 1016 OE1 GLU A 84 -8.890 9.473 7.017 1.00 0.00 O ATOM 1017 OE2 GLU A 84 -9.246 11.020 8.520 1.00 0.00 O ATOM 0 H GLU A 84 -10.121 5.394 10.467 1.00 0.00 H new ATOM 0 HA GLU A 84 -11.785 7.377 9.029 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -8.823 6.753 8.804 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -9.713 7.492 7.488 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -10.372 9.025 9.765 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -8.656 8.699 9.916 1.00 0.00 H new ATOM 1024 N GLY A 85 -11.305 4.313 8.616 1.00 0.00 N ATOM 1025 CA GLY A 85 -11.601 3.129 7.829 1.00 0.00 C ATOM 1026 C GLY A 85 -10.387 2.617 7.070 1.00 0.00 C ATOM 1027 O GLY A 85 -10.175 1.407 6.963 1.00 0.00 O ATOM 0 H GLY A 85 -11.119 4.126 9.601 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -11.973 2.343 8.486 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -12.399 3.357 7.122 1.00 0.00 H new ATOM 1031 N VAL A 86 -9.584 3.537 6.557 1.00 0.00 N ATOM 1032 CA VAL A 86 -8.363 3.188 5.855 1.00 0.00 C ATOM 1033 C VAL A 86 -7.186 3.743 6.629 1.00 0.00 C ATOM 1034 O VAL A 86 -6.737 4.867 6.397 1.00 0.00 O ATOM 1035 CB VAL A 86 -8.350 3.723 4.404 1.00 0.00 C ATOM 1036 CG1 VAL A 86 -7.059 3.344 3.695 1.00 0.00 C ATOM 1037 CG2 VAL A 86 -9.550 3.200 3.631 1.00 0.00 C ATOM 0 H VAL A 86 -9.761 4.540 6.616 1.00 0.00 H new ATOM 0 HA VAL A 86 -8.300 2.102 5.790 1.00 0.00 H new ATOM 0 HB VAL A 86 -8.409 4.811 4.446 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -7.076 3.732 2.677 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -6.211 3.769 4.232 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -6.964 2.258 3.668 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -9.524 3.587 2.612 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -9.520 2.111 3.606 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -10.468 3.527 4.120 1.00 0.00 H new ATOM 1047 N THR A 87 -6.711 2.959 7.570 1.00 0.00 N ATOM 1048 CA THR A 87 -5.686 3.399 8.489 1.00 0.00 C ATOM 1049 C THR A 87 -4.992 2.185 9.102 1.00 0.00 C ATOM 1050 O THR A 87 -5.500 1.573 10.042 1.00 0.00 O ATOM 1051 CB THR A 87 -6.311 4.280 9.596 1.00 0.00 C ATOM 1052 OG1 THR A 87 -6.933 5.436 9.020 1.00 0.00 O ATOM 1053 CG2 THR A 87 -5.271 4.719 10.615 1.00 0.00 C ATOM 0 H THR A 87 -7.024 2.000 7.720 1.00 0.00 H new ATOM 0 HA THR A 87 -4.948 3.993 7.950 1.00 0.00 H new ATOM 0 HB THR A 87 -7.061 3.678 10.109 1.00 0.00 H new ATOM 0 HG1 THR A 87 -6.607 5.561 8.104 1.00 0.00 H new ATOM 0 HG21 THR A 87 -5.746 5.336 11.377 1.00 0.00 H new ATOM 0 HG22 THR A 87 -4.828 3.841 11.084 1.00 0.00 H new ATOM 0 HG23 THR A 87 -4.493 5.295 10.115 1.00 0.00 H new ATOM 1061 N GLN A 88 -3.839 1.825 8.553 1.00 0.00 N ATOM 1062 CA GLN A 88 -3.137 0.626 8.977 1.00 0.00 C ATOM 1063 C GLN A 88 -1.673 0.675 8.562 1.00 0.00 C ATOM 1064 O GLN A 88 -1.315 1.359 7.605 1.00 0.00 O ATOM 1065 CB GLN A 88 -3.802 -0.601 8.366 1.00 0.00 C ATOM 1066 CG GLN A 88 -4.129 -1.681 9.378 1.00 0.00 C ATOM 1067 CD GLN A 88 -3.101 -2.794 9.380 1.00 0.00 C ATOM 1068 OE1 GLN A 88 -2.972 -3.539 8.411 1.00 0.00 O ATOM 1069 NE2 GLN A 88 -2.371 -2.920 10.474 1.00 0.00 N ATOM 0 H GLN A 88 -3.372 2.348 7.813 1.00 0.00 H new ATOM 0 HA GLN A 88 -3.184 0.567 10.064 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -4.720 -0.295 7.865 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -3.145 -1.017 7.602 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -4.185 -1.239 10.373 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -5.112 -2.097 9.158 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -2.510 -2.280 11.256 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -1.669 -3.657 10.536 1.00 0.00 H new ATOM 1078 N GLN A 89 -0.832 -0.049 9.287 1.00 0.00 N ATOM 1079 CA GLN A 89 0.581 -0.133 8.950 1.00 0.00 C ATOM 1080 C GLN A 89 0.915 -1.539 8.471 1.00 0.00 C ATOM 1081 O GLN A 89 0.528 -2.525 9.103 1.00 0.00 O ATOM 1082 CB GLN A 89 1.466 0.230 10.147 1.00 0.00 C ATOM 1083 CG GLN A 89 0.779 0.114 11.491 1.00 0.00 C ATOM 1084 CD GLN A 89 1.685 -0.478 12.552 1.00 0.00 C ATOM 1085 OE1 GLN A 89 1.970 -1.673 12.541 1.00 0.00 O ATOM 1086 NE2 GLN A 89 2.130 0.347 13.487 1.00 0.00 N ATOM 0 H GLN A 89 -1.103 -0.586 10.111 1.00 0.00 H new ATOM 0 HA GLN A 89 0.780 0.584 8.154 1.00 0.00 H new ATOM 0 HB2 GLN A 89 2.343 -0.417 10.144 1.00 0.00 H new ATOM 0 HB3 GLN A 89 1.823 1.252 10.022 1.00 0.00 H new ATOM 0 HG2 GLN A 89 0.444 1.101 11.812 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -0.111 -0.507 11.389 1.00 0.00 H new ATOM 0 HE21 GLN A 89 1.871 1.333 13.462 1.00 0.00 H new ATOM 0 HE22 GLN A 89 2.732 -0.004 14.232 1.00 0.00 H new ATOM 1095 N THR A 90 1.606 -1.633 7.351 1.00 0.00 N ATOM 1096 CA THR A 90 1.972 -2.920 6.787 1.00 0.00 C ATOM 1097 C THR A 90 3.311 -3.394 7.335 1.00 0.00 C ATOM 1098 O THR A 90 4.350 -2.788 7.064 1.00 0.00 O ATOM 1099 CB THR A 90 2.052 -2.843 5.254 1.00 0.00 C ATOM 1100 OG1 THR A 90 1.782 -1.499 4.820 1.00 0.00 O ATOM 1101 CG2 THR A 90 1.057 -3.798 4.610 1.00 0.00 C ATOM 0 H THR A 90 1.927 -0.830 6.811 1.00 0.00 H new ATOM 0 HA THR A 90 1.197 -3.633 7.071 1.00 0.00 H new ATOM 0 HB THR A 90 3.057 -3.132 4.947 1.00 0.00 H new ATOM 0 HG1 THR A 90 1.836 -1.454 3.843 1.00 0.00 H new ATOM 0 HG21 THR A 90 1.133 -3.725 3.525 1.00 0.00 H new ATOM 0 HG22 THR A 90 1.279 -4.819 4.921 1.00 0.00 H new ATOM 0 HG23 THR A 90 0.046 -3.535 4.922 1.00 0.00 H new ATOM 1109 N LEU A 91 3.287 -4.484 8.092 1.00 0.00 N ATOM 1110 CA LEU A 91 4.504 -5.038 8.657 1.00 0.00 C ATOM 1111 C LEU A 91 5.175 -5.943 7.636 1.00 0.00 C ATOM 1112 O LEU A 91 4.712 -7.055 7.368 1.00 0.00 O ATOM 1113 CB LEU A 91 4.197 -5.815 9.942 1.00 0.00 C ATOM 1114 CG LEU A 91 5.355 -5.940 10.941 1.00 0.00 C ATOM 1115 CD1 LEU A 91 6.218 -7.148 10.620 1.00 0.00 C ATOM 1116 CD2 LEU A 91 6.196 -4.670 10.958 1.00 0.00 C ATOM 0 H LEU A 91 2.438 -4.999 8.327 1.00 0.00 H new ATOM 0 HA LEU A 91 5.181 -4.222 8.909 1.00 0.00 H new ATOM 0 HB2 LEU A 91 3.359 -5.332 10.445 1.00 0.00 H new ATOM 0 HB3 LEU A 91 3.869 -6.818 9.668 1.00 0.00 H new ATOM 0 HG LEU A 91 4.928 -6.080 11.934 1.00 0.00 H new ATOM 0 HD11 LEU A 91 7.032 -7.216 11.342 1.00 0.00 H new ATOM 0 HD12 LEU A 91 5.612 -8.052 10.671 1.00 0.00 H new ATOM 0 HD13 LEU A 91 6.630 -7.044 9.616 1.00 0.00 H new ATOM 0 HD21 LEU A 91 7.011 -4.783 11.674 1.00 0.00 H new ATOM 0 HD22 LEU A 91 6.608 -4.493 9.964 1.00 0.00 H new ATOM 0 HD23 LEU A 91 5.572 -3.824 11.248 1.00 0.00 H new ATOM 1128 N THR A 92 6.254 -5.453 7.054 1.00 0.00 N ATOM 1129 CA THR A 92 6.966 -6.192 6.030 1.00 0.00 C ATOM 1130 C THR A 92 8.405 -6.455 6.461 1.00 0.00 C ATOM 1131 O THR A 92 9.137 -5.533 6.806 1.00 0.00 O ATOM 1132 CB THR A 92 6.956 -5.426 4.694 1.00 0.00 C ATOM 1133 OG1 THR A 92 5.925 -4.421 4.716 1.00 0.00 O ATOM 1134 CG2 THR A 92 6.727 -6.376 3.530 1.00 0.00 C ATOM 0 H THR A 92 6.657 -4.542 7.275 1.00 0.00 H new ATOM 0 HA THR A 92 6.457 -7.146 5.891 1.00 0.00 H new ATOM 0 HB THR A 92 7.926 -4.947 4.562 1.00 0.00 H new ATOM 0 HG1 THR A 92 5.924 -3.935 3.865 1.00 0.00 H new ATOM 0 HG21 THR A 92 6.724 -5.813 2.596 1.00 0.00 H new ATOM 0 HG22 THR A 92 7.525 -7.118 3.504 1.00 0.00 H new ATOM 0 HG23 THR A 92 5.768 -6.879 3.654 1.00 0.00 H new ATOM 1142 N LEU A 93 8.794 -7.716 6.471 1.00 0.00 N ATOM 1143 CA LEU A 93 10.144 -8.092 6.850 1.00 0.00 C ATOM 1144 C LEU A 93 10.985 -8.343 5.611 1.00 0.00 C ATOM 1145 O LEU A 93 10.511 -8.938 4.648 1.00 0.00 O ATOM 1146 CB LEU A 93 10.120 -9.341 7.726 1.00 0.00 C ATOM 1147 CG LEU A 93 9.471 -9.154 9.098 1.00 0.00 C ATOM 1148 CD1 LEU A 93 8.141 -9.888 9.170 1.00 0.00 C ATOM 1149 CD2 LEU A 93 10.399 -9.643 10.196 1.00 0.00 C ATOM 0 H LEU A 93 8.192 -8.500 6.220 1.00 0.00 H new ATOM 0 HA LEU A 93 10.586 -7.273 7.418 1.00 0.00 H new ATOM 0 HB2 LEU A 93 9.589 -10.130 7.194 1.00 0.00 H new ATOM 0 HB3 LEU A 93 11.144 -9.686 7.869 1.00 0.00 H new ATOM 0 HG LEU A 93 9.286 -8.090 9.244 1.00 0.00 H new ATOM 0 HD11 LEU A 93 7.697 -9.741 10.155 1.00 0.00 H new ATOM 0 HD12 LEU A 93 7.468 -9.497 8.407 1.00 0.00 H new ATOM 0 HD13 LEU A 93 8.303 -10.952 9.000 1.00 0.00 H new ATOM 0 HD21 LEU A 93 9.921 -9.502 11.166 1.00 0.00 H new ATOM 0 HD22 LEU A 93 10.613 -10.701 10.047 1.00 0.00 H new ATOM 0 HD23 LEU A 93 11.330 -9.077 10.165 1.00 0.00 H new ATOM 1161 N THR A 94 12.228 -7.891 5.639 1.00 0.00 N ATOM 1162 CA THR A 94 13.120 -8.049 4.505 1.00 0.00 C ATOM 1163 C THR A 94 14.443 -8.633 4.962 1.00 0.00 C ATOM 1164 O THR A 94 15.222 -7.964 5.639 1.00 0.00 O ATOM 1165 CB THR A 94 13.364 -6.702 3.791 1.00 0.00 C ATOM 1166 OG1 THR A 94 12.476 -5.702 4.314 1.00 0.00 O ATOM 1167 CG2 THR A 94 13.156 -6.840 2.289 1.00 0.00 C ATOM 0 H THR A 94 12.642 -7.410 6.438 1.00 0.00 H new ATOM 0 HA THR A 94 12.646 -8.729 3.798 1.00 0.00 H new ATOM 0 HB THR A 94 14.396 -6.401 3.972 1.00 0.00 H new ATOM 0 HG1 THR A 94 12.786 -5.420 5.200 1.00 0.00 H new ATOM 0 HG21 THR A 94 13.333 -5.878 1.807 1.00 0.00 H new ATOM 0 HG22 THR A 94 13.852 -7.579 1.892 1.00 0.00 H new ATOM 0 HG23 THR A 94 12.133 -7.162 2.091 1.00 0.00 H new ATOM 1175 N PHE A 95 14.679 -9.888 4.623 1.00 0.00 N ATOM 1176 CA PHE A 95 15.898 -10.564 5.022 1.00 0.00 C ATOM 1177 C PHE A 95 16.723 -10.911 3.797 1.00 0.00 C ATOM 1178 O PHE A 95 16.200 -11.410 2.803 1.00 0.00 O ATOM 1179 CB PHE A 95 15.589 -11.821 5.854 1.00 0.00 C ATOM 1180 CG PHE A 95 14.656 -12.807 5.201 1.00 0.00 C ATOM 1181 CD1 PHE A 95 13.280 -12.651 5.292 1.00 0.00 C ATOM 1182 CD2 PHE A 95 15.157 -13.898 4.507 1.00 0.00 C ATOM 1183 CE1 PHE A 95 12.423 -13.563 4.701 1.00 0.00 C ATOM 1184 CE2 PHE A 95 14.306 -14.814 3.917 1.00 0.00 C ATOM 1185 CZ PHE A 95 12.937 -14.646 4.013 1.00 0.00 C ATOM 0 H PHE A 95 14.040 -10.460 4.071 1.00 0.00 H new ATOM 0 HA PHE A 95 16.477 -9.890 5.653 1.00 0.00 H new ATOM 0 HB2 PHE A 95 16.527 -12.328 6.080 1.00 0.00 H new ATOM 0 HB3 PHE A 95 15.157 -11.511 6.805 1.00 0.00 H new ATOM 0 HD1 PHE A 95 12.873 -11.808 5.830 1.00 0.00 H new ATOM 0 HD2 PHE A 95 16.225 -14.034 4.426 1.00 0.00 H new ATOM 0 HE1 PHE A 95 11.354 -13.429 4.777 1.00 0.00 H new ATOM 0 HE2 PHE A 95 14.710 -15.660 3.381 1.00 0.00 H new ATOM 0 HZ PHE A 95 12.271 -15.360 3.551 1.00 0.00 H new ATOM 1195 N ASN A 96 18.009 -10.618 3.859 1.00 0.00 N ATOM 1196 CA ASN A 96 18.899 -10.915 2.751 1.00 0.00 C ATOM 1197 C ASN A 96 19.171 -12.419 2.688 1.00 0.00 C ATOM 1198 O ASN A 96 18.960 -13.127 3.675 1.00 0.00 O ATOM 1199 CB ASN A 96 20.194 -10.092 2.860 1.00 0.00 C ATOM 1200 CG ASN A 96 21.408 -10.902 3.274 1.00 0.00 C ATOM 1201 OD1 ASN A 96 22.030 -11.575 2.454 1.00 0.00 O ATOM 1202 ND2 ASN A 96 21.762 -10.829 4.549 1.00 0.00 N ATOM 0 H ASN A 96 18.459 -10.177 4.661 1.00 0.00 H new ATOM 0 HA ASN A 96 18.419 -10.628 1.815 1.00 0.00 H new ATOM 0 HB2 ASN A 96 20.395 -9.621 1.898 1.00 0.00 H new ATOM 0 HB3 ASN A 96 20.042 -9.289 3.582 1.00 0.00 H new ATOM 0 HD21 ASN A 96 22.578 -11.343 4.882 1.00 0.00 H new ATOM 0 HD22 ASN A 96 21.219 -10.259 5.197 1.00 0.00 H new ATOM 1209 N SER A 97 19.658 -12.878 1.533 1.00 0.00 N ATOM 1210 CA SER A 97 19.778 -14.302 1.206 1.00 0.00 C ATOM 1211 C SER A 97 20.499 -15.144 2.275 1.00 0.00 C ATOM 1212 O SER A 97 20.313 -16.362 2.327 1.00 0.00 O ATOM 1213 CB SER A 97 20.487 -14.441 -0.140 1.00 0.00 C ATOM 1214 OG SER A 97 20.165 -13.350 -0.993 1.00 0.00 O ATOM 0 H SER A 97 19.985 -12.263 0.788 1.00 0.00 H new ATOM 0 HA SER A 97 18.764 -14.700 1.163 1.00 0.00 H new ATOM 0 HB2 SER A 97 21.565 -14.483 0.014 1.00 0.00 H new ATOM 0 HB3 SER A 97 20.196 -15.378 -0.615 1.00 0.00 H new ATOM 0 HG SER A 97 20.630 -13.456 -1.849 1.00 0.00 H new ATOM 1220 N SER A 98 21.319 -14.523 3.121 1.00 0.00 N ATOM 1221 CA SER A 98 21.985 -15.258 4.199 1.00 0.00 C ATOM 1222 C SER A 98 20.995 -15.618 5.308 1.00 0.00 C ATOM 1223 O SER A 98 21.305 -16.396 6.211 1.00 0.00 O ATOM 1224 CB SER A 98 23.142 -14.441 4.772 1.00 0.00 C ATOM 1225 OG SER A 98 23.552 -13.433 3.864 1.00 0.00 O ATOM 0 H SER A 98 21.537 -13.527 3.084 1.00 0.00 H new ATOM 0 HA SER A 98 22.382 -16.182 3.779 1.00 0.00 H new ATOM 0 HB2 SER A 98 22.838 -13.985 5.714 1.00 0.00 H new ATOM 0 HB3 SER A 98 23.982 -15.099 4.993 1.00 0.00 H new ATOM 0 HG SER A 98 24.292 -12.923 4.254 1.00 0.00 H new ATOM 1231 N GLY A 99 19.801 -15.047 5.226 1.00 0.00 N ATOM 1232 CA GLY A 99 18.764 -15.324 6.194 1.00 0.00 C ATOM 1233 C GLY A 99 18.670 -14.251 7.253 1.00 0.00 C ATOM 1234 O GLY A 99 17.953 -14.402 8.233 1.00 0.00 O ATOM 0 H GLY A 99 19.532 -14.388 4.495 1.00 0.00 H new ATOM 0 HA2 GLY A 99 17.806 -15.412 5.682 1.00 0.00 H new ATOM 0 HA3 GLY A 99 18.961 -16.285 6.669 1.00 0.00 H new ATOM 1238 N VAL A 100 19.371 -13.157 7.034 1.00 0.00 N ATOM 1239 CA VAL A 100 19.484 -12.097 8.019 1.00 0.00 C ATOM 1240 C VAL A 100 18.512 -10.964 7.706 1.00 0.00 C ATOM 1241 O VAL A 100 18.575 -10.373 6.625 1.00 0.00 O ATOM 1242 CB VAL A 100 20.934 -11.556 8.050 1.00 0.00 C ATOM 1243 CG1 VAL A 100 21.017 -10.195 8.722 1.00 0.00 C ATOM 1244 CG2 VAL A 100 21.854 -12.550 8.744 1.00 0.00 C ATOM 0 H VAL A 100 19.879 -12.976 6.168 1.00 0.00 H new ATOM 0 HA VAL A 100 19.233 -12.507 8.997 1.00 0.00 H new ATOM 0 HB VAL A 100 21.260 -11.430 7.018 1.00 0.00 H new ATOM 0 HG11 VAL A 100 22.052 -9.852 8.722 1.00 0.00 H new ATOM 0 HG12 VAL A 100 20.398 -9.482 8.177 1.00 0.00 H new ATOM 0 HG13 VAL A 100 20.660 -10.274 9.749 1.00 0.00 H new ATOM 0 HG21 VAL A 100 22.870 -12.156 8.758 1.00 0.00 H new ATOM 0 HG22 VAL A 100 21.512 -12.710 9.767 1.00 0.00 H new ATOM 0 HG23 VAL A 100 21.839 -13.497 8.205 1.00 0.00 H new ATOM 1254 N LEU A 101 17.599 -10.693 8.639 1.00 0.00 N ATOM 1255 CA LEU A 101 16.684 -9.557 8.529 1.00 0.00 C ATOM 1256 C LEU A 101 17.479 -8.271 8.336 1.00 0.00 C ATOM 1257 O LEU A 101 18.092 -7.771 9.276 1.00 0.00 O ATOM 1258 CB LEU A 101 15.831 -9.456 9.801 1.00 0.00 C ATOM 1259 CG LEU A 101 14.318 -9.563 9.601 1.00 0.00 C ATOM 1260 CD1 LEU A 101 13.812 -8.454 8.691 1.00 0.00 C ATOM 1261 CD2 LEU A 101 13.944 -10.932 9.044 1.00 0.00 C ATOM 0 H LEU A 101 17.473 -11.249 9.485 1.00 0.00 H new ATOM 0 HA LEU A 101 16.030 -9.704 7.669 1.00 0.00 H new ATOM 0 HB2 LEU A 101 16.144 -10.242 10.488 1.00 0.00 H new ATOM 0 HB3 LEU A 101 16.048 -8.504 10.286 1.00 0.00 H new ATOM 0 HG LEU A 101 13.838 -9.447 10.573 1.00 0.00 H new ATOM 0 HD11 LEU A 101 12.734 -8.551 8.564 1.00 0.00 H new ATOM 0 HD12 LEU A 101 14.039 -7.486 9.137 1.00 0.00 H new ATOM 0 HD13 LEU A 101 14.300 -8.529 7.719 1.00 0.00 H new ATOM 0 HD21 LEU A 101 12.864 -10.987 8.909 1.00 0.00 H new ATOM 0 HD22 LEU A 101 14.438 -11.081 8.084 1.00 0.00 H new ATOM 0 HD23 LEU A 101 14.263 -11.708 9.740 1.00 0.00 H new ATOM 1273 N THR A 102 17.481 -7.745 7.124 1.00 0.00 N ATOM 1274 CA THR A 102 18.289 -6.581 6.812 1.00 0.00 C ATOM 1275 C THR A 102 17.504 -5.294 7.027 1.00 0.00 C ATOM 1276 O THR A 102 18.068 -4.266 7.402 1.00 0.00 O ATOM 1277 CB THR A 102 18.803 -6.636 5.365 1.00 0.00 C ATOM 1278 OG1 THR A 102 18.016 -7.561 4.603 1.00 0.00 O ATOM 1279 CG2 THR A 102 20.264 -7.057 5.330 1.00 0.00 C ATOM 0 H THR A 102 16.934 -8.105 6.342 1.00 0.00 H new ATOM 0 HA THR A 102 19.143 -6.589 7.489 1.00 0.00 H new ATOM 0 HB THR A 102 18.716 -5.640 4.930 1.00 0.00 H new ATOM 0 HG1 THR A 102 18.347 -7.590 3.681 1.00 0.00 H new ATOM 0 HG21 THR A 102 20.609 -7.090 4.296 1.00 0.00 H new ATOM 0 HG22 THR A 102 20.863 -6.339 5.890 1.00 0.00 H new ATOM 0 HG23 THR A 102 20.369 -8.045 5.779 1.00 0.00 H new ATOM 1287 N ASN A 103 16.200 -5.355 6.802 1.00 0.00 N ATOM 1288 CA ASN A 103 15.356 -4.179 6.949 1.00 0.00 C ATOM 1289 C ASN A 103 13.945 -4.571 7.359 1.00 0.00 C ATOM 1290 O ASN A 103 13.390 -5.549 6.858 1.00 0.00 O ATOM 1291 CB ASN A 103 15.310 -3.392 5.633 1.00 0.00 C ATOM 1292 CG ASN A 103 15.047 -1.911 5.845 1.00 0.00 C ATOM 1293 OD1 ASN A 103 15.788 -1.233 6.559 1.00 0.00 O ATOM 1294 ND2 ASN A 103 13.997 -1.397 5.223 1.00 0.00 N ATOM 0 H ASN A 103 15.706 -6.201 6.519 1.00 0.00 H new ATOM 0 HA ASN A 103 15.784 -3.552 7.731 1.00 0.00 H new ATOM 0 HB2 ASN A 103 16.256 -3.517 5.106 1.00 0.00 H new ATOM 0 HB3 ASN A 103 14.531 -3.807 4.993 1.00 0.00 H new ATOM 0 HD21 ASN A 103 13.778 -0.406 5.326 1.00 0.00 H new ATOM 0 HD22 ASN A 103 13.408 -1.992 4.640 1.00 0.00 H new ATOM 1301 N ILE A 104 13.373 -3.821 8.284 1.00 0.00 N ATOM 1302 CA ILE A 104 11.988 -4.019 8.666 1.00 0.00 C ATOM 1303 C ILE A 104 11.151 -2.844 8.196 1.00 0.00 C ATOM 1304 O ILE A 104 11.529 -1.688 8.378 1.00 0.00 O ATOM 1305 CB ILE A 104 11.809 -4.180 10.192 1.00 0.00 C ATOM 1306 CG1 ILE A 104 12.093 -5.624 10.608 1.00 0.00 C ATOM 1307 CG2 ILE A 104 10.398 -3.770 10.616 1.00 0.00 C ATOM 1308 CD1 ILE A 104 12.816 -5.742 11.933 1.00 0.00 C ATOM 0 H ILE A 104 13.847 -3.069 8.784 1.00 0.00 H new ATOM 0 HA ILE A 104 11.659 -4.943 8.191 1.00 0.00 H new ATOM 0 HB ILE A 104 12.521 -3.525 10.694 1.00 0.00 H new ATOM 0 HG12 ILE A 104 11.150 -6.168 10.668 1.00 0.00 H new ATOM 0 HG13 ILE A 104 12.690 -6.106 9.834 1.00 0.00 H new ATOM 0 HG21 ILE A 104 10.293 -3.891 11.694 1.00 0.00 H new ATOM 0 HG22 ILE A 104 10.226 -2.727 10.349 1.00 0.00 H new ATOM 0 HG23 ILE A 104 9.668 -4.399 10.107 1.00 0.00 H new ATOM 0 HD11 ILE A 104 12.984 -6.794 12.164 1.00 0.00 H new ATOM 0 HD12 ILE A 104 13.775 -5.227 11.872 1.00 0.00 H new ATOM 0 HD13 ILE A 104 12.211 -5.290 12.719 1.00 0.00 H new ATOM 1320 N ASP A 105 10.027 -3.148 7.586 1.00 0.00 N ATOM 1321 CA ASP A 105 9.078 -2.134 7.186 1.00 0.00 C ATOM 1322 C ASP A 105 8.000 -1.998 8.250 1.00 0.00 C ATOM 1323 O ASP A 105 7.079 -2.811 8.309 1.00 0.00 O ATOM 1324 CB ASP A 105 8.437 -2.538 5.867 1.00 0.00 C ATOM 1325 CG ASP A 105 8.613 -1.505 4.782 1.00 0.00 C ATOM 1326 OD1 ASP A 105 9.756 -1.306 4.324 1.00 0.00 O ATOM 1327 OD2 ASP A 105 7.610 -0.883 4.375 1.00 0.00 O ATOM 0 H ASP A 105 9.746 -4.101 7.354 1.00 0.00 H new ATOM 0 HA ASP A 105 9.593 -1.180 7.067 1.00 0.00 H new ATOM 0 HB2 ASP A 105 8.868 -3.482 5.535 1.00 0.00 H new ATOM 0 HB3 ASP A 105 7.373 -2.712 6.025 1.00 0.00 H new ATOM 1332 N ASN A 106 8.125 -0.989 9.097 1.00 0.00 N ATOM 1333 CA ASN A 106 7.129 -0.734 10.132 1.00 0.00 C ATOM 1334 C ASN A 106 6.961 0.761 10.356 1.00 0.00 C ATOM 1335 O ASN A 106 7.794 1.397 11.003 1.00 0.00 O ATOM 1336 CB ASN A 106 7.527 -1.413 11.446 1.00 0.00 C ATOM 1337 CG ASN A 106 6.573 -1.088 12.585 1.00 0.00 C ATOM 1338 OD1 ASN A 106 5.359 -1.025 12.401 1.00 0.00 O ATOM 1339 ND2 ASN A 106 7.125 -0.877 13.770 1.00 0.00 N ATOM 0 H ASN A 106 8.905 -0.332 9.090 1.00 0.00 H new ATOM 0 HA ASN A 106 6.180 -1.150 9.795 1.00 0.00 H new ATOM 0 HB2 ASN A 106 7.556 -2.493 11.298 1.00 0.00 H new ATOM 0 HB3 ASN A 106 8.535 -1.101 11.721 1.00 0.00 H new ATOM 0 HD21 ASN A 106 6.538 -0.652 14.573 1.00 0.00 H new ATOM 0 HD22 ASN A 106 8.137 -0.939 13.879 1.00 0.00 H new ATOM 1346 N LYS A 107 5.897 1.326 9.809 1.00 0.00 N ATOM 1347 CA LYS A 107 5.599 2.741 9.990 1.00 0.00 C ATOM 1348 C LYS A 107 4.097 2.928 10.124 1.00 0.00 C ATOM 1349 O LYS A 107 3.334 2.371 9.341 1.00 0.00 O ATOM 1350 CB LYS A 107 6.129 3.580 8.819 1.00 0.00 C ATOM 1351 CG LYS A 107 7.585 3.312 8.467 1.00 0.00 C ATOM 1352 CD LYS A 107 7.786 3.168 6.969 1.00 0.00 C ATOM 1353 CE LYS A 107 7.983 1.716 6.567 1.00 0.00 C ATOM 1354 NZ LYS A 107 8.110 1.577 5.095 1.00 0.00 N ATOM 0 H LYS A 107 5.221 0.825 9.233 1.00 0.00 H new ATOM 0 HA LYS A 107 6.097 3.083 10.897 1.00 0.00 H new ATOM 0 HB2 LYS A 107 5.513 3.387 7.941 1.00 0.00 H new ATOM 0 HB3 LYS A 107 6.014 4.636 9.063 1.00 0.00 H new ATOM 0 HG2 LYS A 107 8.205 4.127 8.840 1.00 0.00 H new ATOM 0 HG3 LYS A 107 7.918 2.403 8.967 1.00 0.00 H new ATOM 0 HD2 LYS A 107 6.922 3.577 6.445 1.00 0.00 H new ATOM 0 HD3 LYS A 107 8.653 3.752 6.660 1.00 0.00 H new ATOM 0 HE2 LYS A 107 8.876 1.321 7.050 1.00 0.00 H new ATOM 0 HE3 LYS A 107 7.140 1.121 6.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 7.526 0.780 4.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 7.788 2.452 4.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 9.105 1.401 4.847 1.00 0.00 H new ATOM 1368 N PRO A 108 3.660 3.719 11.112 1.00 0.00 N ATOM 1369 CA PRO A 108 2.238 3.890 11.426 1.00 0.00 C ATOM 1370 C PRO A 108 1.462 4.568 10.301 1.00 0.00 C ATOM 1371 O PRO A 108 2.038 5.263 9.457 1.00 0.00 O ATOM 1372 CB PRO A 108 2.246 4.781 12.675 1.00 0.00 C ATOM 1373 CG PRO A 108 3.558 5.485 12.636 1.00 0.00 C ATOM 1374 CD PRO A 108 4.522 4.530 11.991 1.00 0.00 C ATOM 0 HA PRO A 108 1.745 2.929 11.571 1.00 0.00 H new ATOM 0 HB2 PRO A 108 1.417 5.489 12.660 1.00 0.00 H new ATOM 0 HB3 PRO A 108 2.143 4.188 13.584 1.00 0.00 H new ATOM 0 HG2 PRO A 108 3.487 6.412 12.066 1.00 0.00 H new ATOM 0 HG3 PRO A 108 3.887 5.753 13.640 1.00 0.00 H new ATOM 0 HD2 PRO A 108 5.291 5.056 11.426 1.00 0.00 H new ATOM 0 HD3 PRO A 108 5.034 3.915 12.731 1.00 0.00 H new ATOM 1382 N ALA A 109 0.151 4.368 10.303 1.00 0.00 N ATOM 1383 CA ALA A 109 -0.730 4.989 9.323 1.00 0.00 C ATOM 1384 C ALA A 109 -1.095 6.414 9.739 1.00 0.00 C ATOM 1385 O ALA A 109 -2.248 6.835 9.631 1.00 0.00 O ATOM 1386 CB ALA A 109 -1.984 4.152 9.147 1.00 0.00 C ATOM 0 H ALA A 109 -0.329 3.775 10.979 1.00 0.00 H new ATOM 0 HA ALA A 109 -0.202 5.041 8.371 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -2.636 4.624 8.413 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -1.710 3.155 8.802 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -2.507 4.075 10.100 1.00 0.00 H new ATOM 1392 N LEU A 110 -0.101 7.147 10.217 1.00 0.00 N ATOM 1393 CA LEU A 110 -0.294 8.517 10.661 1.00 0.00 C ATOM 1394 C LEU A 110 0.696 9.428 9.950 1.00 0.00 C ATOM 1395 O LEU A 110 1.526 10.080 10.589 1.00 0.00 O ATOM 1396 CB LEU A 110 -0.111 8.616 12.179 1.00 0.00 C ATOM 1397 CG LEU A 110 -1.306 9.185 12.952 1.00 0.00 C ATOM 1398 CD1 LEU A 110 -1.615 10.604 12.493 1.00 0.00 C ATOM 1399 CD2 LEU A 110 -2.525 8.288 12.788 1.00 0.00 C ATOM 0 H LEU A 110 0.857 6.810 10.307 1.00 0.00 H new ATOM 0 HA LEU A 110 -1.309 8.831 10.416 1.00 0.00 H new ATOM 0 HB2 LEU A 110 0.110 7.621 12.566 1.00 0.00 H new ATOM 0 HB3 LEU A 110 0.761 9.238 12.383 1.00 0.00 H new ATOM 0 HG LEU A 110 -1.047 9.218 14.010 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -2.466 10.990 13.053 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -0.747 11.240 12.667 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -1.853 10.599 11.429 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -3.363 8.708 13.344 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -2.787 8.220 11.732 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -2.298 7.293 13.170 1.00 0.00 H new