USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 590 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 67 ASN : amide:sc= -0.613 K(o=-0.61,f=-5.8!) USER MOD Set 1.2: A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.0998 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= -0.0545 X(o=-0.054,f=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 CYS SG : rot 34:sc= -1.6 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot -119:sc= 0.0763 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -0.412 X(o=-0.41,f=-0.77) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= -0.407 X(o=-0.41,f=0) USER MOD Single : A 74 GLN : amide:sc= -1.58 K(o=-1.6,f=-2.1) USER MOD Single : A 75 TYR OH : rot 96:sc= 1.37 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 CYS SG : rot -130:sc= 0.526 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 TYR OH : rot 165:sc= -1.37 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00612) USER MOD ----------------------------------------------------------------- ATOM 228 N MET A 19 12.682 -7.634 4.312 1.00 0.00 N ATOM 229 CA MET A 19 12.665 -6.797 3.118 1.00 0.00 C ATOM 230 C MET A 19 12.723 -5.319 3.489 1.00 0.00 C ATOM 231 O MET A 19 13.578 -4.578 3.002 1.00 0.00 O ATOM 232 CB MET A 19 11.411 -7.080 2.289 1.00 0.00 C ATOM 233 CG MET A 19 11.617 -8.136 1.215 1.00 0.00 C ATOM 234 SD MET A 19 10.468 -7.956 -0.163 1.00 0.00 S ATOM 235 CE MET A 19 10.509 -9.608 -0.855 1.00 0.00 C ATOM 0 HA MET A 19 13.546 -7.038 2.523 1.00 0.00 H new ATOM 0 HB2 MET A 19 10.611 -7.402 2.955 1.00 0.00 H new ATOM 0 HB3 MET A 19 11.080 -6.154 1.818 1.00 0.00 H new ATOM 0 HG2 MET A 19 12.639 -8.075 0.841 1.00 0.00 H new ATOM 0 HG3 MET A 19 11.498 -9.126 1.656 1.00 0.00 H new ATOM 0 HE1 MET A 19 9.846 -9.657 -1.719 1.00 0.00 H new ATOM 0 HE2 MET A 19 11.526 -9.848 -1.164 1.00 0.00 H new ATOM 0 HE3 MET A 19 10.179 -10.326 -0.104 1.00 0.00 H new ATOM 245 N LEU A 20 11.806 -4.895 4.353 1.00 0.00 N ATOM 246 CA LEU A 20 11.752 -3.505 4.789 1.00 0.00 C ATOM 247 C LEU A 20 13.032 -3.112 5.520 1.00 0.00 C ATOM 248 O LEU A 20 13.461 -1.959 5.466 1.00 0.00 O ATOM 249 CB LEU A 20 10.542 -3.280 5.699 1.00 0.00 C ATOM 250 CG LEU A 20 9.189 -3.263 4.984 1.00 0.00 C ATOM 251 CD1 LEU A 20 8.122 -3.924 5.843 1.00 0.00 C ATOM 252 CD2 LEU A 20 8.790 -1.837 4.636 1.00 0.00 C ATOM 0 H LEU A 20 11.091 -5.494 4.765 1.00 0.00 H new ATOM 0 HA LEU A 20 11.654 -2.877 3.903 1.00 0.00 H new ATOM 0 HB2 LEU A 20 10.526 -4.063 6.457 1.00 0.00 H new ATOM 0 HB3 LEU A 20 10.671 -2.333 6.222 1.00 0.00 H new ATOM 0 HG LEU A 20 9.281 -3.830 4.058 1.00 0.00 H new ATOM 0 HD11 LEU A 20 7.167 -3.902 5.318 1.00 0.00 H new ATOM 0 HD12 LEU A 20 8.404 -4.958 6.041 1.00 0.00 H new ATOM 0 HD13 LEU A 20 8.030 -3.386 6.786 1.00 0.00 H new ATOM 0 HD21 LEU A 20 7.826 -1.843 4.128 1.00 0.00 H new ATOM 0 HD22 LEU A 20 8.716 -1.247 5.549 1.00 0.00 H new ATOM 0 HD23 LEU A 20 9.543 -1.398 3.981 1.00 0.00 H new ATOM 264 N THR A 21 13.637 -4.078 6.205 1.00 0.00 N ATOM 265 CA THR A 21 14.867 -3.832 6.947 1.00 0.00 C ATOM 266 C THR A 21 16.087 -3.976 6.042 1.00 0.00 C ATOM 267 O THR A 21 17.098 -3.300 6.235 1.00 0.00 O ATOM 268 CB THR A 21 14.974 -4.798 8.129 1.00 0.00 C ATOM 269 OG1 THR A 21 14.151 -5.933 7.926 1.00 0.00 O ATOM 270 CG2 THR A 21 14.578 -4.173 9.450 1.00 0.00 C ATOM 0 H THR A 21 13.295 -5.037 6.261 1.00 0.00 H new ATOM 0 HA THR A 21 14.838 -2.810 7.324 1.00 0.00 H new ATOM 0 HB THR A 21 16.026 -5.078 8.179 1.00 0.00 H new ATOM 0 HG1 THR A 21 14.235 -6.539 8.692 1.00 0.00 H new ATOM 0 HG21 THR A 21 14.677 -4.911 10.246 1.00 0.00 H new ATOM 0 HG22 THR A 21 15.228 -3.324 9.660 1.00 0.00 H new ATOM 0 HG23 THR A 21 13.544 -3.833 9.396 1.00 0.00 H new ATOM 278 N SER A 22 15.985 -4.859 5.055 1.00 0.00 N ATOM 279 CA SER A 22 17.080 -5.090 4.121 1.00 0.00 C ATOM 280 C SER A 22 17.251 -3.901 3.180 1.00 0.00 C ATOM 281 O SER A 22 18.361 -3.598 2.742 1.00 0.00 O ATOM 282 CB SER A 22 16.829 -6.363 3.311 1.00 0.00 C ATOM 283 OG SER A 22 18.034 -7.076 3.094 1.00 0.00 O ATOM 0 H SER A 22 15.155 -5.426 4.881 1.00 0.00 H new ATOM 0 HA SER A 22 17.997 -5.210 4.698 1.00 0.00 H new ATOM 0 HB2 SER A 22 16.117 -6.998 3.838 1.00 0.00 H new ATOM 0 HB3 SER A 22 16.378 -6.105 2.353 1.00 0.00 H new ATOM 0 HG SER A 22 17.846 -7.886 2.576 1.00 0.00 H new ATOM 289 N LEU A 23 16.144 -3.232 2.873 1.00 0.00 N ATOM 290 CA LEU A 23 16.171 -2.076 1.984 1.00 0.00 C ATOM 291 C LEU A 23 16.340 -0.784 2.778 1.00 0.00 C ATOM 292 O LEU A 23 17.157 0.068 2.429 1.00 0.00 O ATOM 293 CB LEU A 23 14.888 -2.015 1.155 1.00 0.00 C ATOM 294 CG LEU A 23 14.727 -3.137 0.128 1.00 0.00 C ATOM 295 CD1 LEU A 23 13.259 -3.496 -0.044 1.00 0.00 C ATOM 296 CD2 LEU A 23 15.339 -2.731 -1.205 1.00 0.00 C ATOM 0 H LEU A 23 15.217 -3.471 3.227 1.00 0.00 H new ATOM 0 HA LEU A 23 17.024 -2.183 1.313 1.00 0.00 H new ATOM 0 HB2 LEU A 23 14.034 -2.038 1.832 1.00 0.00 H new ATOM 0 HB3 LEU A 23 14.856 -1.058 0.634 1.00 0.00 H new ATOM 0 HG LEU A 23 15.255 -4.018 0.494 1.00 0.00 H new ATOM 0 HD11 LEU A 23 13.164 -4.296 -0.778 1.00 0.00 H new ATOM 0 HD12 LEU A 23 12.852 -3.829 0.911 1.00 0.00 H new ATOM 0 HD13 LEU A 23 12.708 -2.620 -0.388 1.00 0.00 H new ATOM 0 HD21 LEU A 23 15.215 -3.541 -1.924 1.00 0.00 H new ATOM 0 HD22 LEU A 23 14.840 -1.836 -1.577 1.00 0.00 H new ATOM 0 HD23 LEU A 23 16.401 -2.524 -1.070 1.00 0.00 H new ATOM 308 N GLY A 24 15.562 -0.646 3.846 1.00 0.00 N ATOM 309 CA GLY A 24 15.640 0.545 4.673 1.00 0.00 C ATOM 310 C GLY A 24 14.339 1.323 4.694 1.00 0.00 C ATOM 311 O GLY A 24 14.339 2.548 4.562 1.00 0.00 O ATOM 0 H GLY A 24 14.878 -1.337 4.154 1.00 0.00 H new ATOM 0 HA2 GLY A 24 15.906 0.260 5.691 1.00 0.00 H new ATOM 0 HA3 GLY A 24 16.439 1.188 4.304 1.00 0.00 H new ATOM 315 N LEU A 25 13.228 0.613 4.861 1.00 0.00 N ATOM 316 CA LEU A 25 11.915 1.246 4.899 1.00 0.00 C ATOM 317 C LEU A 25 11.160 0.859 6.168 1.00 0.00 C ATOM 318 O LEU A 25 11.463 -0.154 6.797 1.00 0.00 O ATOM 319 CB LEU A 25 11.099 0.851 3.667 1.00 0.00 C ATOM 320 CG LEU A 25 11.724 1.239 2.325 1.00 0.00 C ATOM 321 CD1 LEU A 25 10.981 0.574 1.178 1.00 0.00 C ATOM 322 CD2 LEU A 25 11.726 2.751 2.157 1.00 0.00 C ATOM 0 H LEU A 25 13.211 -0.401 4.972 1.00 0.00 H new ATOM 0 HA LEU A 25 12.061 2.326 4.899 1.00 0.00 H new ATOM 0 HB2 LEU A 25 10.947 -0.228 3.681 1.00 0.00 H new ATOM 0 HB3 LEU A 25 10.114 1.313 3.739 1.00 0.00 H new ATOM 0 HG LEU A 25 12.757 0.890 2.311 1.00 0.00 H new ATOM 0 HD11 LEU A 25 11.440 0.862 0.232 1.00 0.00 H new ATOM 0 HD12 LEU A 25 11.031 -0.509 1.291 1.00 0.00 H new ATOM 0 HD13 LEU A 25 9.938 0.892 1.187 1.00 0.00 H new ATOM 0 HD21 LEU A 25 12.174 3.010 1.198 1.00 0.00 H new ATOM 0 HD22 LEU A 25 10.702 3.122 2.191 1.00 0.00 H new ATOM 0 HD23 LEU A 25 12.304 3.206 2.962 1.00 0.00 H new ATOM 334 N LYS A 26 10.176 1.674 6.535 1.00 0.00 N ATOM 335 CA LYS A 26 9.378 1.417 7.728 1.00 0.00 C ATOM 336 C LYS A 26 8.018 2.101 7.628 1.00 0.00 C ATOM 337 O LYS A 26 7.877 3.131 6.968 1.00 0.00 O ATOM 338 CB LYS A 26 10.118 1.902 8.977 1.00 0.00 C ATOM 339 CG LYS A 26 10.869 0.798 9.706 1.00 0.00 C ATOM 340 CD LYS A 26 10.182 0.421 11.011 1.00 0.00 C ATOM 341 CE LYS A 26 10.944 0.952 12.216 1.00 0.00 C ATOM 342 NZ LYS A 26 10.800 2.427 12.360 1.00 0.00 N ATOM 0 H LYS A 26 9.913 2.517 6.024 1.00 0.00 H new ATOM 0 HA LYS A 26 9.219 0.341 7.805 1.00 0.00 H new ATOM 0 HB2 LYS A 26 10.823 2.683 8.691 1.00 0.00 H new ATOM 0 HB3 LYS A 26 9.401 2.355 9.661 1.00 0.00 H new ATOM 0 HG2 LYS A 26 10.939 -0.080 9.064 1.00 0.00 H new ATOM 0 HG3 LYS A 26 11.888 1.125 9.912 1.00 0.00 H new ATOM 0 HD2 LYS A 26 9.167 0.818 11.017 1.00 0.00 H new ATOM 0 HD3 LYS A 26 10.100 -0.664 11.080 1.00 0.00 H new ATOM 0 HE2 LYS A 26 10.581 0.462 13.119 1.00 0.00 H new ATOM 0 HE3 LYS A 26 12.000 0.698 12.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 11.334 2.748 13.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 11.170 2.897 11.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 9.795 2.668 12.479 1.00 0.00 H new ATOM 356 N LEU A 27 7.019 1.523 8.287 1.00 0.00 N ATOM 357 CA LEU A 27 5.671 2.076 8.273 1.00 0.00 C ATOM 358 C LEU A 27 5.655 3.487 8.853 1.00 0.00 C ATOM 359 O LEU A 27 6.008 3.695 10.014 1.00 0.00 O ATOM 360 CB LEU A 27 4.718 1.176 9.062 1.00 0.00 C ATOM 361 CG LEU A 27 4.433 -0.183 8.422 1.00 0.00 C ATOM 362 CD1 LEU A 27 4.122 -1.220 9.490 1.00 0.00 C ATOM 363 CD2 LEU A 27 3.283 -0.074 7.432 1.00 0.00 C ATOM 0 H LEU A 27 7.119 0.670 8.838 1.00 0.00 H new ATOM 0 HA LEU A 27 5.337 2.125 7.237 1.00 0.00 H new ATOM 0 HB2 LEU A 27 5.136 1.012 10.055 1.00 0.00 H new ATOM 0 HB3 LEU A 27 3.773 1.703 9.197 1.00 0.00 H new ATOM 0 HG LEU A 27 5.323 -0.503 7.881 1.00 0.00 H new ATOM 0 HD11 LEU A 27 3.922 -2.181 9.017 1.00 0.00 H new ATOM 0 HD12 LEU A 27 4.975 -1.317 10.162 1.00 0.00 H new ATOM 0 HD13 LEU A 27 3.246 -0.906 10.058 1.00 0.00 H new ATOM 0 HD21 LEU A 27 3.093 -1.050 6.986 1.00 0.00 H new ATOM 0 HD22 LEU A 27 2.387 0.268 7.951 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.543 0.639 6.649 1.00 0.00 H new ATOM 375 N GLY A 28 5.245 4.452 8.036 1.00 0.00 N ATOM 376 CA GLY A 28 5.190 5.831 8.486 1.00 0.00 C ATOM 377 C GLY A 28 6.033 6.754 7.627 1.00 0.00 C ATOM 378 O GLY A 28 5.647 7.893 7.363 1.00 0.00 O ATOM 0 H GLY A 28 4.950 4.304 7.071 1.00 0.00 H new ATOM 0 HA2 GLY A 28 4.155 6.173 8.474 1.00 0.00 H new ATOM 0 HA3 GLY A 28 5.533 5.887 9.519 1.00 0.00 H new ATOM 382 N ASP A 29 7.187 6.262 7.190 1.00 0.00 N ATOM 383 CA ASP A 29 8.087 7.049 6.355 1.00 0.00 C ATOM 384 C ASP A 29 7.512 7.230 4.954 1.00 0.00 C ATOM 385 O ASP A 29 6.528 6.586 4.589 1.00 0.00 O ATOM 386 CB ASP A 29 9.459 6.377 6.273 1.00 0.00 C ATOM 387 CG ASP A 29 10.209 6.432 7.589 1.00 0.00 C ATOM 388 OD1 ASP A 29 10.320 7.535 8.165 1.00 0.00 O ATOM 389 OD2 ASP A 29 10.688 5.372 8.044 1.00 0.00 O ATOM 0 H ASP A 29 7.521 5.322 7.400 1.00 0.00 H new ATOM 0 HA ASP A 29 8.198 8.032 6.812 1.00 0.00 H new ATOM 0 HB2 ASP A 29 9.334 5.337 5.973 1.00 0.00 H new ATOM 0 HB3 ASP A 29 10.053 6.863 5.499 1.00 0.00 H new ATOM 394 N ARG A 30 8.131 8.109 4.174 1.00 0.00 N ATOM 395 CA ARG A 30 7.682 8.374 2.812 1.00 0.00 C ATOM 396 C ARG A 30 8.347 7.420 1.825 1.00 0.00 C ATOM 397 O ARG A 30 9.574 7.327 1.767 1.00 0.00 O ATOM 398 CB ARG A 30 7.986 9.822 2.425 1.00 0.00 C ATOM 399 CG ARG A 30 6.856 10.788 2.745 1.00 0.00 C ATOM 400 CD ARG A 30 6.070 11.164 1.498 1.00 0.00 C ATOM 401 NE ARG A 30 6.341 12.537 1.074 1.00 0.00 N ATOM 402 CZ ARG A 30 5.793 13.609 1.642 1.00 0.00 C ATOM 403 NH1 ARG A 30 4.946 13.474 2.655 1.00 0.00 N ATOM 404 NH2 ARG A 30 6.093 14.821 1.195 1.00 0.00 N ATOM 0 H ARG A 30 8.946 8.651 4.462 1.00 0.00 H new ATOM 0 HA ARG A 30 6.604 8.214 2.773 1.00 0.00 H new ATOM 0 HB2 ARG A 30 8.888 10.146 2.944 1.00 0.00 H new ATOM 0 HB3 ARG A 30 8.199 9.867 1.357 1.00 0.00 H new ATOM 0 HG2 ARG A 30 6.186 10.335 3.475 1.00 0.00 H new ATOM 0 HG3 ARG A 30 7.265 11.688 3.203 1.00 0.00 H new ATOM 0 HD2 ARG A 30 6.323 10.478 0.689 1.00 0.00 H new ATOM 0 HD3 ARG A 30 5.004 11.048 1.693 1.00 0.00 H new ATOM 0 HE ARG A 30 6.987 12.682 0.298 1.00 0.00 H new ATOM 0 HH11 ARG A 30 4.711 12.544 3.003 1.00 0.00 H new ATOM 0 HH12 ARG A 30 4.530 14.300 3.085 1.00 0.00 H new ATOM 0 HH21 ARG A 30 6.743 14.931 0.417 1.00 0.00 H new ATOM 0 HH22 ARG A 30 5.674 15.643 1.629 1.00 0.00 H new ATOM 418 N VAL A 31 7.531 6.713 1.051 1.00 0.00 N ATOM 419 CA VAL A 31 8.041 5.766 0.067 1.00 0.00 C ATOM 420 C VAL A 31 7.633 6.168 -1.347 1.00 0.00 C ATOM 421 O VAL A 31 6.957 7.177 -1.545 1.00 0.00 O ATOM 422 CB VAL A 31 7.534 4.338 0.347 1.00 0.00 C ATOM 423 CG1 VAL A 31 8.103 3.817 1.657 1.00 0.00 C ATOM 424 CG2 VAL A 31 6.014 4.305 0.365 1.00 0.00 C ATOM 0 H VAL A 31 6.514 6.778 1.086 1.00 0.00 H new ATOM 0 HA VAL A 31 9.128 5.782 0.148 1.00 0.00 H new ATOM 0 HB VAL A 31 7.878 3.686 -0.456 1.00 0.00 H new ATOM 0 HG11 VAL A 31 7.734 2.807 1.838 1.00 0.00 H new ATOM 0 HG12 VAL A 31 9.191 3.801 1.600 1.00 0.00 H new ATOM 0 HG13 VAL A 31 7.792 4.469 2.473 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.674 3.289 0.564 1.00 0.00 H new ATOM 0 HG22 VAL A 31 5.645 4.970 1.145 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.631 4.632 -0.602 1.00 0.00 H new ATOM 434 N VAL A 32 8.050 5.371 -2.326 1.00 0.00 N ATOM 435 CA VAL A 32 7.729 5.645 -3.722 1.00 0.00 C ATOM 436 C VAL A 32 7.417 4.355 -4.476 1.00 0.00 C ATOM 437 O VAL A 32 8.104 3.347 -4.312 1.00 0.00 O ATOM 438 CB VAL A 32 8.885 6.380 -4.430 1.00 0.00 C ATOM 439 CG1 VAL A 32 10.144 5.527 -4.431 1.00 0.00 C ATOM 440 CG2 VAL A 32 8.488 6.761 -5.849 1.00 0.00 C ATOM 0 H VAL A 32 8.610 4.531 -2.178 1.00 0.00 H new ATOM 0 HA VAL A 32 6.847 6.286 -3.727 1.00 0.00 H new ATOM 0 HB VAL A 32 9.098 7.296 -3.879 1.00 0.00 H new ATOM 0 HG11 VAL A 32 10.947 6.064 -4.935 1.00 0.00 H new ATOM 0 HG12 VAL A 32 10.440 5.313 -3.404 1.00 0.00 H new ATOM 0 HG13 VAL A 32 9.949 4.591 -4.955 1.00 0.00 H new ATOM 0 HG21 VAL A 32 9.317 7.279 -6.332 1.00 0.00 H new ATOM 0 HG22 VAL A 32 8.244 5.861 -6.413 1.00 0.00 H new ATOM 0 HG23 VAL A 32 7.618 7.417 -5.820 1.00 0.00 H new ATOM 450 N ILE A 33 6.377 4.396 -5.303 1.00 0.00 N ATOM 451 CA ILE A 33 5.976 3.232 -6.082 1.00 0.00 C ATOM 452 C ILE A 33 6.739 3.164 -7.401 1.00 0.00 C ATOM 453 O ILE A 33 6.514 3.974 -8.300 1.00 0.00 O ATOM 454 CB ILE A 33 4.463 3.248 -6.377 1.00 0.00 C ATOM 455 CG1 ILE A 33 3.674 3.510 -5.094 1.00 0.00 C ATOM 456 CG2 ILE A 33 4.031 1.934 -7.015 1.00 0.00 C ATOM 457 CD1 ILE A 33 2.226 3.871 -5.338 1.00 0.00 C ATOM 0 H ILE A 33 5.798 5.223 -5.450 1.00 0.00 H new ATOM 0 HA ILE A 33 6.213 2.353 -5.483 1.00 0.00 H new ATOM 0 HB ILE A 33 4.254 4.054 -7.080 1.00 0.00 H new ATOM 0 HG12 ILE A 33 3.717 2.622 -4.463 1.00 0.00 H new ATOM 0 HG13 ILE A 33 4.153 4.318 -4.541 1.00 0.00 H new ATOM 0 HG21 ILE A 33 2.960 1.962 -7.217 1.00 0.00 H new ATOM 0 HG22 ILE A 33 4.573 1.788 -7.950 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.251 1.110 -6.336 1.00 0.00 H new ATOM 0 HD11 ILE A 33 1.728 4.043 -4.384 1.00 0.00 H new ATOM 0 HD12 ILE A 33 2.174 4.776 -5.943 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.731 3.054 -5.863 1.00 0.00 H new ATOM 469 N ALA A 34 7.641 2.194 -7.509 1.00 0.00 N ATOM 470 CA ALA A 34 8.437 2.021 -8.718 1.00 0.00 C ATOM 471 C ALA A 34 9.235 3.282 -9.036 1.00 0.00 C ATOM 472 O ALA A 34 9.519 3.571 -10.199 1.00 0.00 O ATOM 473 CB ALA A 34 7.541 1.651 -9.890 1.00 0.00 C ATOM 0 H ALA A 34 7.839 1.516 -6.773 1.00 0.00 H new ATOM 0 HA ALA A 34 9.144 1.210 -8.545 1.00 0.00 H new ATOM 0 HB1 ALA A 34 8.148 1.525 -10.786 1.00 0.00 H new ATOM 0 HB2 ALA A 34 7.021 0.719 -9.670 1.00 0.00 H new ATOM 0 HB3 ALA A 34 6.811 2.444 -10.055 1.00 0.00 H new ATOM 479 N GLY A 35 9.593 4.029 -7.997 1.00 0.00 N ATOM 480 CA GLY A 35 10.354 5.250 -8.189 1.00 0.00 C ATOM 481 C GLY A 35 9.640 6.246 -9.081 1.00 0.00 C ATOM 482 O GLY A 35 10.278 6.990 -9.826 1.00 0.00 O ATOM 0 H GLY A 35 9.370 3.811 -7.026 1.00 0.00 H new ATOM 0 HA2 GLY A 35 10.548 5.709 -7.220 1.00 0.00 H new ATOM 0 HA3 GLY A 35 11.322 5.006 -8.625 1.00 0.00 H new ATOM 486 N GLN A 36 8.313 6.259 -9.007 1.00 0.00 N ATOM 487 CA GLN A 36 7.512 7.169 -9.815 1.00 0.00 C ATOM 488 C GLN A 36 6.450 7.861 -8.965 1.00 0.00 C ATOM 489 O GLN A 36 6.515 9.069 -8.734 1.00 0.00 O ATOM 490 CB GLN A 36 6.847 6.412 -10.966 1.00 0.00 C ATOM 491 CG GLN A 36 7.829 5.654 -11.843 1.00 0.00 C ATOM 492 CD GLN A 36 8.233 6.437 -13.077 1.00 0.00 C ATOM 493 OE1 GLN A 36 9.390 6.831 -13.225 1.00 0.00 O ATOM 494 NE2 GLN A 36 7.278 6.668 -13.970 1.00 0.00 N ATOM 0 H GLN A 36 7.770 5.649 -8.395 1.00 0.00 H new ATOM 0 HA GLN A 36 8.176 7.930 -10.225 1.00 0.00 H new ATOM 0 HB2 GLN A 36 6.121 5.709 -10.556 1.00 0.00 H new ATOM 0 HB3 GLN A 36 6.293 7.119 -11.583 1.00 0.00 H new ATOM 0 HG2 GLN A 36 8.719 5.414 -11.262 1.00 0.00 H new ATOM 0 HG3 GLN A 36 7.383 4.707 -12.148 1.00 0.00 H new ATOM 0 HE21 GLN A 36 6.332 6.323 -13.806 1.00 0.00 H new ATOM 0 HE22 GLN A 36 7.490 7.191 -14.820 1.00 0.00 H new ATOM 503 N LYS A 37 5.473 7.088 -8.501 1.00 0.00 N ATOM 504 CA LYS A 37 4.398 7.627 -7.676 1.00 0.00 C ATOM 505 C LYS A 37 4.848 7.777 -6.226 1.00 0.00 C ATOM 506 O LYS A 37 5.318 6.821 -5.610 1.00 0.00 O ATOM 507 CB LYS A 37 3.166 6.722 -7.750 1.00 0.00 C ATOM 508 CG LYS A 37 2.204 7.096 -8.866 1.00 0.00 C ATOM 509 CD LYS A 37 0.755 6.973 -8.419 1.00 0.00 C ATOM 510 CE LYS A 37 -0.198 6.999 -9.603 1.00 0.00 C ATOM 511 NZ LYS A 37 -0.646 5.632 -9.986 1.00 0.00 N ATOM 0 H LYS A 37 5.404 6.087 -8.682 1.00 0.00 H new ATOM 0 HA LYS A 37 4.138 8.613 -8.061 1.00 0.00 H new ATOM 0 HB2 LYS A 37 3.490 5.691 -7.891 1.00 0.00 H new ATOM 0 HB3 LYS A 37 2.638 6.762 -6.797 1.00 0.00 H new ATOM 0 HG2 LYS A 37 2.400 8.118 -9.189 1.00 0.00 H new ATOM 0 HG3 LYS A 37 2.376 6.451 -9.727 1.00 0.00 H new ATOM 0 HD2 LYS A 37 0.622 6.044 -7.864 1.00 0.00 H new ATOM 0 HD3 LYS A 37 0.513 7.789 -7.738 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -1.067 7.610 -9.356 1.00 0.00 H new ATOM 0 HE3 LYS A 37 0.293 7.472 -10.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -1.294 5.694 -10.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 0.180 5.056 -10.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -1.137 5.190 -9.183 1.00 0.00 H new ATOM 525 N VAL A 38 4.701 8.984 -5.689 1.00 0.00 N ATOM 526 CA VAL A 38 5.092 9.259 -4.312 1.00 0.00 C ATOM 527 C VAL A 38 3.915 9.075 -3.359 1.00 0.00 C ATOM 528 O VAL A 38 2.782 9.431 -3.682 1.00 0.00 O ATOM 529 CB VAL A 38 5.642 10.690 -4.159 1.00 0.00 C ATOM 530 CG1 VAL A 38 6.228 10.893 -2.770 1.00 0.00 C ATOM 531 CG2 VAL A 38 6.682 10.978 -5.232 1.00 0.00 C ATOM 0 H VAL A 38 4.314 9.786 -6.186 1.00 0.00 H new ATOM 0 HA VAL A 38 5.877 8.547 -4.058 1.00 0.00 H new ATOM 0 HB VAL A 38 4.818 11.392 -4.285 1.00 0.00 H new ATOM 0 HG11 VAL A 38 6.611 11.910 -2.682 1.00 0.00 H new ATOM 0 HG12 VAL A 38 5.453 10.731 -2.021 1.00 0.00 H new ATOM 0 HG13 VAL A 38 7.040 10.184 -2.611 1.00 0.00 H new ATOM 0 HG21 VAL A 38 7.060 11.993 -5.109 1.00 0.00 H new ATOM 0 HG22 VAL A 38 7.506 10.270 -5.140 1.00 0.00 H new ATOM 0 HG23 VAL A 38 6.226 10.877 -6.217 1.00 0.00 H new ATOM 541 N GLY A 39 4.192 8.520 -2.184 1.00 0.00 N ATOM 542 CA GLY A 39 3.146 8.300 -1.203 1.00 0.00 C ATOM 543 C GLY A 39 3.695 7.894 0.150 1.00 0.00 C ATOM 544 O GLY A 39 4.870 7.549 0.272 1.00 0.00 O ATOM 0 H GLY A 39 5.122 8.219 -1.894 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.557 9.211 -1.094 1.00 0.00 H new ATOM 0 HA3 GLY A 39 2.470 7.525 -1.565 1.00 0.00 H new ATOM 548 N THR A 40 2.844 7.935 1.169 1.00 0.00 N ATOM 549 CA THR A 40 3.251 7.569 2.521 1.00 0.00 C ATOM 550 C THR A 40 2.896 6.116 2.822 1.00 0.00 C ATOM 551 O THR A 40 1.736 5.718 2.729 1.00 0.00 O ATOM 552 CB THR A 40 2.584 8.490 3.543 1.00 0.00 C ATOM 553 OG1 THR A 40 2.230 9.726 2.950 1.00 0.00 O ATOM 554 CG2 THR A 40 3.461 8.789 4.741 1.00 0.00 C ATOM 0 H THR A 40 1.868 8.218 1.085 1.00 0.00 H new ATOM 0 HA THR A 40 4.333 7.682 2.591 1.00 0.00 H new ATOM 0 HB THR A 40 1.701 7.950 3.885 1.00 0.00 H new ATOM 0 HG1 THR A 40 1.803 10.300 3.620 1.00 0.00 H new ATOM 0 HG21 THR A 40 2.928 9.447 5.427 1.00 0.00 H new ATOM 0 HG22 THR A 40 3.710 7.858 5.251 1.00 0.00 H new ATOM 0 HG23 THR A 40 4.377 9.277 4.408 1.00 0.00 H new ATOM 562 N LEU A 41 3.905 5.330 3.182 1.00 0.00 N ATOM 563 CA LEU A 41 3.700 3.920 3.496 1.00 0.00 C ATOM 564 C LEU A 41 2.878 3.761 4.771 1.00 0.00 C ATOM 565 O LEU A 41 3.277 4.222 5.841 1.00 0.00 O ATOM 566 CB LEU A 41 5.046 3.209 3.654 1.00 0.00 C ATOM 567 CG LEU A 41 4.960 1.692 3.833 1.00 0.00 C ATOM 568 CD1 LEU A 41 4.683 1.011 2.502 1.00 0.00 C ATOM 569 CD2 LEU A 41 6.243 1.157 4.452 1.00 0.00 C ATOM 0 H LEU A 41 4.872 5.645 3.264 1.00 0.00 H new ATOM 0 HA LEU A 41 3.151 3.467 2.670 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.657 3.422 2.777 1.00 0.00 H new ATOM 0 HB3 LEU A 41 5.564 3.632 4.514 1.00 0.00 H new ATOM 0 HG LEU A 41 4.133 1.471 4.508 1.00 0.00 H new ATOM 0 HD11 LEU A 41 4.625 -0.067 2.650 1.00 0.00 H new ATOM 0 HD12 LEU A 41 3.738 1.373 2.098 1.00 0.00 H new ATOM 0 HD13 LEU A 41 5.487 1.239 1.802 1.00 0.00 H new ATOM 0 HD21 LEU A 41 6.166 0.076 4.573 1.00 0.00 H new ATOM 0 HD22 LEU A 41 7.086 1.390 3.801 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.398 1.621 5.426 1.00 0.00 H new ATOM 581 N ARG A 42 1.727 3.107 4.648 1.00 0.00 N ATOM 582 CA ARG A 42 0.847 2.886 5.790 1.00 0.00 C ATOM 583 C ARG A 42 0.786 1.407 6.154 1.00 0.00 C ATOM 584 O ARG A 42 0.739 1.048 7.330 1.00 0.00 O ATOM 585 CB ARG A 42 -0.559 3.405 5.484 1.00 0.00 C ATOM 586 CG ARG A 42 -0.571 4.785 4.845 1.00 0.00 C ATOM 587 CD ARG A 42 -0.261 5.873 5.861 1.00 0.00 C ATOM 588 NE ARG A 42 -1.066 7.071 5.642 1.00 0.00 N ATOM 589 CZ ARG A 42 -1.052 8.132 6.446 1.00 0.00 C ATOM 590 NH1 ARG A 42 -0.274 8.147 7.522 1.00 0.00 N ATOM 591 NH2 ARG A 42 -1.815 9.181 6.172 1.00 0.00 N ATOM 0 H ARG A 42 1.382 2.721 3.769 1.00 0.00 H new ATOM 0 HA ARG A 42 1.254 3.434 6.640 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -1.061 2.701 4.820 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -1.135 3.437 6.409 1.00 0.00 H new ATOM 0 HG2 ARG A 42 0.161 4.820 4.038 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -1.547 4.971 4.397 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -0.443 5.493 6.866 1.00 0.00 H new ATOM 0 HD3 ARG A 42 0.796 6.131 5.804 1.00 0.00 H new ATOM 0 HE ARG A 42 -1.675 7.097 4.824 1.00 0.00 H new ATOM 0 HH11 ARG A 42 0.316 7.343 7.736 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -0.267 8.962 8.135 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -2.413 9.175 5.345 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -1.804 9.994 6.788 1.00 0.00 H new ATOM 605 N PHE A 43 0.788 0.551 5.137 1.00 0.00 N ATOM 606 CA PHE A 43 0.735 -0.890 5.350 1.00 0.00 C ATOM 607 C PHE A 43 1.786 -1.605 4.507 1.00 0.00 C ATOM 608 O PHE A 43 2.262 -1.069 3.507 1.00 0.00 O ATOM 609 CB PHE A 43 -0.658 -1.426 5.010 1.00 0.00 C ATOM 610 CG PHE A 43 -0.847 -2.874 5.363 1.00 0.00 C ATOM 611 CD1 PHE A 43 -0.470 -3.870 4.478 1.00 0.00 C ATOM 612 CD2 PHE A 43 -1.401 -3.238 6.580 1.00 0.00 C ATOM 613 CE1 PHE A 43 -0.641 -5.203 4.799 1.00 0.00 C ATOM 614 CE2 PHE A 43 -1.576 -4.569 6.907 1.00 0.00 C ATOM 615 CZ PHE A 43 -1.195 -5.554 6.015 1.00 0.00 C ATOM 0 H PHE A 43 0.826 0.831 4.157 1.00 0.00 H new ATOM 0 HA PHE A 43 0.946 -1.084 6.402 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -1.405 -0.832 5.536 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -0.839 -1.294 3.943 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -0.037 -3.602 3.526 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -1.699 -2.472 7.281 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -0.342 -5.970 4.100 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -2.010 -4.840 7.858 1.00 0.00 H new ATOM 0 HZ PHE A 43 -1.330 -6.595 6.268 1.00 0.00 H new ATOM 625 N CYS A 44 2.143 -2.817 4.919 1.00 0.00 N ATOM 626 CA CYS A 44 3.139 -3.604 4.201 1.00 0.00 C ATOM 627 C CYS A 44 3.006 -5.086 4.536 1.00 0.00 C ATOM 628 O CYS A 44 2.872 -5.459 5.703 1.00 0.00 O ATOM 629 CB CYS A 44 4.548 -3.118 4.542 1.00 0.00 C ATOM 630 SG CYS A 44 4.873 -2.985 6.317 1.00 0.00 S ATOM 0 H CYS A 44 1.758 -3.275 5.745 1.00 0.00 H new ATOM 0 HA CYS A 44 2.966 -3.474 3.133 1.00 0.00 H new ATOM 0 HB2 CYS A 44 5.273 -3.802 4.101 1.00 0.00 H new ATOM 0 HB3 CYS A 44 4.706 -2.143 4.080 1.00 0.00 H new ATOM 0 HG CYS A 44 4.223 -3.918 6.948 1.00 0.00 H new ATOM 636 N GLY A 45 3.042 -5.926 3.509 1.00 0.00 N ATOM 637 CA GLY A 45 2.925 -7.358 3.715 1.00 0.00 C ATOM 638 C GLY A 45 1.969 -8.010 2.735 1.00 0.00 C ATOM 639 O GLY A 45 1.714 -7.474 1.657 1.00 0.00 O ATOM 0 H GLY A 45 3.150 -5.641 2.536 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.909 -7.817 3.618 1.00 0.00 H new ATOM 0 HA3 GLY A 45 2.583 -7.549 4.732 1.00 0.00 H new ATOM 643 N THR A 46 1.440 -9.169 3.111 1.00 0.00 N ATOM 644 CA THR A 46 0.507 -9.896 2.259 1.00 0.00 C ATOM 645 C THR A 46 -0.830 -9.167 2.170 1.00 0.00 C ATOM 646 O THR A 46 -1.076 -8.207 2.901 1.00 0.00 O ATOM 647 CB THR A 46 0.293 -11.313 2.791 1.00 0.00 C ATOM 648 OG1 THR A 46 -0.218 -11.282 4.112 1.00 0.00 O ATOM 649 CG2 THR A 46 1.560 -12.143 2.808 1.00 0.00 C ATOM 0 H THR A 46 1.642 -9.625 4.001 1.00 0.00 H new ATOM 0 HA THR A 46 0.938 -9.953 1.259 1.00 0.00 H new ATOM 0 HB THR A 46 -0.417 -11.775 2.105 1.00 0.00 H new ATOM 0 HG1 THR A 46 -0.350 -12.198 4.433 1.00 0.00 H new ATOM 0 HG21 THR A 46 1.339 -13.137 3.196 1.00 0.00 H new ATOM 0 HG22 THR A 46 1.953 -12.228 1.795 1.00 0.00 H new ATOM 0 HG23 THR A 46 2.302 -11.662 3.445 1.00 0.00 H new ATOM 657 N THR A 47 -1.691 -9.629 1.268 1.00 0.00 N ATOM 658 CA THR A 47 -3.003 -9.021 1.083 1.00 0.00 C ATOM 659 C THR A 47 -4.093 -10.085 1.019 1.00 0.00 C ATOM 660 O THR A 47 -3.820 -11.278 1.152 1.00 0.00 O ATOM 661 CB THR A 47 -3.022 -8.180 -0.194 1.00 0.00 C ATOM 662 OG1 THR A 47 -2.477 -8.906 -1.281 1.00 0.00 O ATOM 663 CG2 THR A 47 -2.247 -6.886 -0.070 1.00 0.00 C ATOM 0 H THR A 47 -1.503 -10.422 0.655 1.00 0.00 H new ATOM 0 HA THR A 47 -3.200 -8.376 1.939 1.00 0.00 H new ATOM 0 HB THR A 47 -4.071 -7.940 -0.366 1.00 0.00 H new ATOM 0 HG1 THR A 47 -1.690 -8.436 -1.627 1.00 0.00 H new ATOM 0 HG21 THR A 47 -2.301 -6.338 -1.011 1.00 0.00 H new ATOM 0 HG22 THR A 47 -2.676 -6.280 0.728 1.00 0.00 H new ATOM 0 HG23 THR A 47 -1.205 -7.107 0.162 1.00 0.00 H new ATOM 671 N GLU A 48 -5.331 -9.645 0.816 1.00 0.00 N ATOM 672 CA GLU A 48 -6.464 -10.560 0.734 1.00 0.00 C ATOM 673 C GLU A 48 -7.134 -10.474 -0.633 1.00 0.00 C ATOM 674 O GLU A 48 -8.340 -10.687 -0.758 1.00 0.00 O ATOM 675 CB GLU A 48 -7.479 -10.246 1.834 1.00 0.00 C ATOM 676 CG GLU A 48 -6.966 -10.532 3.235 1.00 0.00 C ATOM 677 CD GLU A 48 -7.510 -11.829 3.803 1.00 0.00 C ATOM 678 OE1 GLU A 48 -6.939 -12.896 3.497 1.00 0.00 O ATOM 679 OE2 GLU A 48 -8.509 -11.777 4.552 1.00 0.00 O ATOM 0 H GLU A 48 -5.575 -8.661 0.705 1.00 0.00 H new ATOM 0 HA GLU A 48 -6.091 -11.575 0.872 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -7.761 -9.195 1.767 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -8.383 -10.831 1.661 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -5.877 -10.576 3.217 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -7.241 -9.708 3.894 1.00 0.00 H new ATOM 686 N PHE A 49 -6.345 -10.163 -1.657 1.00 0.00 N ATOM 687 CA PHE A 49 -6.864 -10.050 -3.015 1.00 0.00 C ATOM 688 C PHE A 49 -5.826 -10.508 -4.034 1.00 0.00 C ATOM 689 O PHE A 49 -6.136 -11.268 -4.951 1.00 0.00 O ATOM 690 CB PHE A 49 -7.283 -8.607 -3.308 1.00 0.00 C ATOM 691 CG PHE A 49 -6.177 -7.607 -3.121 1.00 0.00 C ATOM 692 CD1 PHE A 49 -5.310 -7.311 -4.162 1.00 0.00 C ATOM 693 CD2 PHE A 49 -6.005 -6.961 -1.908 1.00 0.00 C ATOM 694 CE1 PHE A 49 -4.292 -6.391 -3.994 1.00 0.00 C ATOM 695 CE2 PHE A 49 -4.990 -6.041 -1.734 1.00 0.00 C ATOM 696 CZ PHE A 49 -4.132 -5.755 -2.779 1.00 0.00 C ATOM 0 H PHE A 49 -5.344 -9.985 -1.572 1.00 0.00 H new ATOM 0 HA PHE A 49 -7.738 -10.697 -3.097 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -7.647 -8.545 -4.333 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -8.116 -8.341 -2.657 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -5.431 -7.805 -5.115 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -6.673 -7.180 -1.088 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -3.623 -6.170 -4.812 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -4.867 -5.546 -0.782 1.00 0.00 H new ATOM 0 HZ PHE A 49 -3.338 -5.035 -2.645 1.00 0.00 H new ATOM 706 N ALA A 50 -4.592 -10.042 -3.868 1.00 0.00 N ATOM 707 CA ALA A 50 -3.509 -10.404 -4.773 1.00 0.00 C ATOM 708 C ALA A 50 -2.584 -11.436 -4.137 1.00 0.00 C ATOM 709 O ALA A 50 -2.717 -11.759 -2.956 1.00 0.00 O ATOM 710 CB ALA A 50 -2.724 -9.166 -5.179 1.00 0.00 C ATOM 0 H ALA A 50 -4.318 -9.412 -3.114 1.00 0.00 H new ATOM 0 HA ALA A 50 -3.948 -10.850 -5.665 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.918 -9.452 -5.855 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -3.388 -8.463 -5.682 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.303 -8.695 -4.291 1.00 0.00 H new ATOM 716 N SER A 51 -1.646 -11.949 -4.926 1.00 0.00 N ATOM 717 CA SER A 51 -0.699 -12.944 -4.438 1.00 0.00 C ATOM 718 C SER A 51 0.726 -12.401 -4.471 1.00 0.00 C ATOM 719 O SER A 51 1.286 -12.161 -5.541 1.00 0.00 O ATOM 720 CB SER A 51 -0.789 -14.219 -5.280 1.00 0.00 C ATOM 721 OG SER A 51 -1.821 -15.068 -4.809 1.00 0.00 O ATOM 0 H SER A 51 -1.522 -11.692 -5.905 1.00 0.00 H new ATOM 0 HA SER A 51 -0.956 -13.178 -3.405 1.00 0.00 H new ATOM 0 HB2 SER A 51 -0.975 -13.958 -6.322 1.00 0.00 H new ATOM 0 HB3 SER A 51 0.164 -14.747 -5.249 1.00 0.00 H new ATOM 0 HG SER A 51 -1.860 -15.875 -5.364 1.00 0.00 H new ATOM 727 N GLY A 52 1.308 -12.209 -3.291 1.00 0.00 N ATOM 728 CA GLY A 52 2.662 -11.695 -3.206 1.00 0.00 C ATOM 729 C GLY A 52 2.808 -10.615 -2.153 1.00 0.00 C ATOM 730 O GLY A 52 1.917 -10.422 -1.325 1.00 0.00 O ATOM 0 H GLY A 52 0.865 -12.400 -2.392 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.344 -12.514 -2.979 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.957 -11.294 -4.176 1.00 0.00 H new ATOM 734 N GLN A 53 3.934 -9.910 -2.182 1.00 0.00 N ATOM 735 CA GLN A 53 4.194 -8.844 -1.223 1.00 0.00 C ATOM 736 C GLN A 53 3.760 -7.492 -1.781 1.00 0.00 C ATOM 737 O GLN A 53 4.325 -7.003 -2.758 1.00 0.00 O ATOM 738 CB GLN A 53 5.680 -8.808 -0.860 1.00 0.00 C ATOM 739 CG GLN A 53 5.939 -8.679 0.633 1.00 0.00 C ATOM 740 CD GLN A 53 6.029 -10.024 1.326 1.00 0.00 C ATOM 741 OE1 GLN A 53 6.619 -10.968 0.802 1.00 0.00 O ATOM 742 NE2 GLN A 53 5.441 -10.117 2.514 1.00 0.00 N ATOM 0 H GLN A 53 4.681 -10.058 -2.860 1.00 0.00 H new ATOM 0 HA GLN A 53 3.613 -9.048 -0.324 1.00 0.00 H new ATOM 0 HB2 GLN A 53 6.157 -9.717 -1.226 1.00 0.00 H new ATOM 0 HB3 GLN A 53 6.151 -7.971 -1.376 1.00 0.00 H new ATOM 0 HG2 GLN A 53 6.867 -8.130 0.791 1.00 0.00 H new ATOM 0 HG3 GLN A 53 5.140 -8.093 1.087 1.00 0.00 H new ATOM 0 HE21 GLN A 53 4.963 -9.308 2.911 1.00 0.00 H new ATOM 0 HE22 GLN A 53 5.468 -10.997 3.029 1.00 0.00 H new ATOM 751 N TRP A 54 2.751 -6.895 -1.153 1.00 0.00 N ATOM 752 CA TRP A 54 2.241 -5.599 -1.586 1.00 0.00 C ATOM 753 C TRP A 54 2.407 -4.553 -0.489 1.00 0.00 C ATOM 754 O TRP A 54 2.915 -4.849 0.593 1.00 0.00 O ATOM 755 CB TRP A 54 0.767 -5.714 -1.977 1.00 0.00 C ATOM 756 CG TRP A 54 0.528 -6.646 -3.126 1.00 0.00 C ATOM 757 CD1 TRP A 54 0.435 -8.007 -3.071 1.00 0.00 C ATOM 758 CD2 TRP A 54 0.353 -6.286 -4.501 1.00 0.00 C ATOM 759 NE1 TRP A 54 0.212 -8.515 -4.327 1.00 0.00 N ATOM 760 CE2 TRP A 54 0.157 -7.479 -5.222 1.00 0.00 C ATOM 761 CE3 TRP A 54 0.341 -5.071 -5.192 1.00 0.00 C ATOM 762 CZ2 TRP A 54 -0.047 -7.491 -6.600 1.00 0.00 C ATOM 763 CZ3 TRP A 54 0.138 -5.084 -6.559 1.00 0.00 C ATOM 764 CH2 TRP A 54 -0.054 -6.287 -7.251 1.00 0.00 C ATOM 0 H TRP A 54 2.271 -7.288 -0.343 1.00 0.00 H new ATOM 0 HA TRP A 54 2.818 -5.282 -2.455 1.00 0.00 H new ATOM 0 HB2 TRP A 54 0.196 -6.058 -1.115 1.00 0.00 H new ATOM 0 HB3 TRP A 54 0.389 -4.725 -2.236 1.00 0.00 H new ATOM 0 HD1 TRP A 54 0.524 -8.598 -2.171 1.00 0.00 H new ATOM 0 HE1 TRP A 54 0.105 -9.503 -4.556 1.00 0.00 H new ATOM 0 HE3 TRP A 54 0.488 -4.139 -4.667 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -0.194 -8.417 -7.136 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 0.127 -4.151 -7.103 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -0.211 -6.264 -8.319 1.00 0.00 H new ATOM 775 N ALA A 55 1.976 -3.329 -0.775 1.00 0.00 N ATOM 776 CA ALA A 55 2.077 -2.239 0.188 1.00 0.00 C ATOM 777 C ALA A 55 0.919 -1.260 0.031 1.00 0.00 C ATOM 778 O ALA A 55 0.581 -0.854 -1.081 1.00 0.00 O ATOM 779 CB ALA A 55 3.406 -1.516 0.028 1.00 0.00 C ATOM 0 H ALA A 55 1.554 -3.067 -1.666 1.00 0.00 H new ATOM 0 HA ALA A 55 2.025 -2.665 1.190 1.00 0.00 H new ATOM 0 HB1 ALA A 55 3.468 -0.705 0.753 1.00 0.00 H new ATOM 0 HB2 ALA A 55 4.224 -2.217 0.196 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.479 -1.108 -0.980 1.00 0.00 H new ATOM 785 N GLY A 56 0.314 -0.883 1.153 1.00 0.00 N ATOM 786 CA GLY A 56 -0.800 0.046 1.119 1.00 0.00 C ATOM 787 C GLY A 56 -0.366 1.482 1.335 1.00 0.00 C ATOM 788 O GLY A 56 -0.398 1.984 2.458 1.00 0.00 O ATOM 0 H GLY A 56 0.576 -1.204 2.085 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -1.308 -0.036 0.158 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -1.523 -0.231 1.886 1.00 0.00 H new ATOM 792 N ILE A 57 0.042 2.143 0.257 1.00 0.00 N ATOM 793 CA ILE A 57 0.486 3.530 0.334 1.00 0.00 C ATOM 794 C ILE A 57 -0.681 4.491 0.135 1.00 0.00 C ATOM 795 O ILE A 57 -1.678 4.150 -0.504 1.00 0.00 O ATOM 796 CB ILE A 57 1.571 3.834 -0.719 1.00 0.00 C ATOM 797 CG1 ILE A 57 2.694 2.797 -0.641 1.00 0.00 C ATOM 798 CG2 ILE A 57 2.126 5.237 -0.521 1.00 0.00 C ATOM 799 CD1 ILE A 57 3.271 2.431 -1.991 1.00 0.00 C ATOM 0 H ILE A 57 0.074 1.741 -0.680 1.00 0.00 H new ATOM 0 HA ILE A 57 0.907 3.672 1.329 1.00 0.00 H new ATOM 0 HB ILE A 57 1.118 3.780 -1.709 1.00 0.00 H new ATOM 0 HG12 ILE A 57 3.491 3.183 -0.006 1.00 0.00 H new ATOM 0 HG13 ILE A 57 2.313 1.896 -0.161 1.00 0.00 H new ATOM 0 HG21 ILE A 57 2.890 5.435 -1.272 1.00 0.00 H new ATOM 0 HG22 ILE A 57 1.321 5.964 -0.622 1.00 0.00 H new ATOM 0 HG23 ILE A 57 2.565 5.318 0.473 1.00 0.00 H new ATOM 0 HD11 ILE A 57 4.062 1.692 -1.861 1.00 0.00 H new ATOM 0 HD12 ILE A 57 2.485 2.015 -2.622 1.00 0.00 H new ATOM 0 HD13 ILE A 57 3.682 3.322 -2.465 1.00 0.00 H new ATOM 811 N GLU A 58 -0.552 5.693 0.686 1.00 0.00 N ATOM 812 CA GLU A 58 -1.596 6.705 0.569 1.00 0.00 C ATOM 813 C GLU A 58 -1.051 7.978 -0.068 1.00 0.00 C ATOM 814 O GLU A 58 -0.359 8.762 0.581 1.00 0.00 O ATOM 815 CB GLU A 58 -2.186 7.022 1.946 1.00 0.00 C ATOM 816 CG GLU A 58 -3.686 7.265 1.925 1.00 0.00 C ATOM 817 CD GLU A 58 -4.042 8.728 2.092 1.00 0.00 C ATOM 818 OE1 GLU A 58 -3.468 9.566 1.365 1.00 0.00 O ATOM 819 OE2 GLU A 58 -4.895 9.037 2.949 1.00 0.00 O ATOM 0 H GLU A 58 0.266 5.991 1.218 1.00 0.00 H new ATOM 0 HA GLU A 58 -2.382 6.307 -0.073 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -1.970 6.196 2.623 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -1.689 7.904 2.350 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -4.096 6.900 0.983 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -4.155 6.688 2.722 1.00 0.00 H new ATOM 826 N LEU A 59 -1.366 8.178 -1.344 1.00 0.00 N ATOM 827 CA LEU A 59 -0.907 9.355 -2.071 1.00 0.00 C ATOM 828 C LEU A 59 -1.414 10.634 -1.412 1.00 0.00 C ATOM 829 O LEU A 59 -2.454 10.635 -0.753 1.00 0.00 O ATOM 830 CB LEU A 59 -1.374 9.297 -3.526 1.00 0.00 C ATOM 831 CG LEU A 59 -0.998 8.017 -4.276 1.00 0.00 C ATOM 832 CD1 LEU A 59 -2.006 7.728 -5.376 1.00 0.00 C ATOM 833 CD2 LEU A 59 0.405 8.130 -4.851 1.00 0.00 C ATOM 0 H LEU A 59 -1.938 7.539 -1.896 1.00 0.00 H new ATOM 0 HA LEU A 59 0.183 9.363 -2.047 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -2.458 9.408 -3.548 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -0.955 10.150 -4.060 1.00 0.00 H new ATOM 0 HG LEU A 59 -1.014 7.186 -3.570 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -1.722 6.814 -5.898 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -2.996 7.603 -4.938 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -2.023 8.559 -6.081 1.00 0.00 H new ATOM 0 HD21 LEU A 59 0.656 7.211 -5.381 1.00 0.00 H new ATOM 0 HD22 LEU A 59 0.448 8.971 -5.543 1.00 0.00 H new ATOM 0 HD23 LEU A 59 1.118 8.289 -4.042 1.00 0.00 H new ATOM 845 N ASP A 60 -0.671 11.721 -1.594 1.00 0.00 N ATOM 846 CA ASP A 60 -1.044 13.008 -1.017 1.00 0.00 C ATOM 847 C ASP A 60 -2.235 13.611 -1.754 1.00 0.00 C ATOM 848 O ASP A 60 -3.041 14.332 -1.165 1.00 0.00 O ATOM 849 CB ASP A 60 0.144 13.972 -1.062 1.00 0.00 C ATOM 850 CG ASP A 60 0.341 14.708 0.249 1.00 0.00 C ATOM 851 OD1 ASP A 60 -0.455 15.625 0.541 1.00 0.00 O ATOM 852 OD2 ASP A 60 1.293 14.367 0.982 1.00 0.00 O ATOM 0 H ASP A 60 0.193 11.736 -2.136 1.00 0.00 H new ATOM 0 HA ASP A 60 -1.331 12.844 0.022 1.00 0.00 H new ATOM 0 HB2 ASP A 60 1.050 13.417 -1.303 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -0.009 14.696 -1.862 1.00 0.00 H new ATOM 857 N GLU A 61 -2.342 13.313 -3.044 1.00 0.00 N ATOM 858 CA GLU A 61 -3.435 13.826 -3.860 1.00 0.00 C ATOM 859 C GLU A 61 -4.238 12.684 -4.480 1.00 0.00 C ATOM 860 O GLU A 61 -3.793 11.536 -4.491 1.00 0.00 O ATOM 861 CB GLU A 61 -2.892 14.738 -4.962 1.00 0.00 C ATOM 862 CG GLU A 61 -2.732 16.187 -4.529 1.00 0.00 C ATOM 863 CD GLU A 61 -4.046 16.943 -4.525 1.00 0.00 C ATOM 864 OE1 GLU A 61 -4.724 16.962 -5.575 1.00 0.00 O ATOM 865 OE2 GLU A 61 -4.398 17.517 -3.473 1.00 0.00 O ATOM 0 H GLU A 61 -1.684 12.718 -3.547 1.00 0.00 H new ATOM 0 HA GLU A 61 -4.097 14.401 -3.213 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -1.926 14.358 -5.294 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -3.563 14.696 -5.820 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -2.296 16.218 -3.530 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -2.032 16.687 -5.198 1.00 0.00 H new ATOM 872 N PRO A 62 -5.437 12.987 -5.006 1.00 0.00 N ATOM 873 CA PRO A 62 -6.306 11.982 -5.629 1.00 0.00 C ATOM 874 C PRO A 62 -5.642 11.308 -6.826 1.00 0.00 C ATOM 875 O PRO A 62 -5.886 11.678 -7.975 1.00 0.00 O ATOM 876 CB PRO A 62 -7.533 12.786 -6.081 1.00 0.00 C ATOM 877 CG PRO A 62 -7.496 14.037 -5.272 1.00 0.00 C ATOM 878 CD PRO A 62 -6.043 14.329 -5.034 1.00 0.00 C ATOM 0 HA PRO A 62 -6.546 11.173 -4.939 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -7.490 13.005 -7.148 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -8.455 12.231 -5.907 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -7.978 14.859 -5.801 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -8.028 13.909 -4.330 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -5.620 14.947 -5.826 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -5.887 14.862 -4.096 1.00 0.00 H new ATOM 886 N GLU A 63 -4.799 10.319 -6.550 1.00 0.00 N ATOM 887 CA GLU A 63 -4.099 9.595 -7.606 1.00 0.00 C ATOM 888 C GLU A 63 -4.192 8.088 -7.388 1.00 0.00 C ATOM 889 O GLU A 63 -3.292 7.340 -7.768 1.00 0.00 O ATOM 890 CB GLU A 63 -2.632 10.024 -7.662 1.00 0.00 C ATOM 891 CG GLU A 63 -2.396 11.278 -8.490 1.00 0.00 C ATOM 892 CD GLU A 63 -1.385 11.065 -9.600 1.00 0.00 C ATOM 893 OE1 GLU A 63 -1.471 10.027 -10.289 1.00 0.00 O ATOM 894 OE2 GLU A 63 -0.508 11.935 -9.779 1.00 0.00 O ATOM 0 H GLU A 63 -4.584 10.000 -5.605 1.00 0.00 H new ATOM 0 HA GLU A 63 -4.578 9.837 -8.555 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -2.273 10.196 -6.647 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -2.039 9.208 -8.076 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -3.341 11.606 -8.923 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -2.050 12.079 -7.837 1.00 0.00 H new ATOM 901 N GLY A 64 -5.287 7.650 -6.773 1.00 0.00 N ATOM 902 CA GLY A 64 -5.476 6.235 -6.516 1.00 0.00 C ATOM 903 C GLY A 64 -6.861 5.755 -6.906 1.00 0.00 C ATOM 904 O GLY A 64 -7.711 6.553 -7.303 1.00 0.00 O ATOM 0 H GLY A 64 -6.046 8.250 -6.449 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -4.728 5.665 -7.068 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -5.310 6.036 -5.457 1.00 0.00 H new ATOM 908 N LYS A 65 -7.086 4.450 -6.796 1.00 0.00 N ATOM 909 CA LYS A 65 -8.377 3.866 -7.141 1.00 0.00 C ATOM 910 C LYS A 65 -9.054 3.265 -5.911 1.00 0.00 C ATOM 911 O LYS A 65 -10.281 3.233 -5.820 1.00 0.00 O ATOM 912 CB LYS A 65 -8.202 2.795 -8.222 1.00 0.00 C ATOM 913 CG LYS A 65 -9.026 3.054 -9.473 1.00 0.00 C ATOM 914 CD LYS A 65 -8.245 2.722 -10.735 1.00 0.00 C ATOM 915 CE LYS A 65 -8.798 3.462 -11.943 1.00 0.00 C ATOM 916 NZ LYS A 65 -8.066 4.733 -12.198 1.00 0.00 N ATOM 0 H LYS A 65 -6.392 3.777 -6.471 1.00 0.00 H new ATOM 0 HA LYS A 65 -9.015 4.661 -7.527 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -7.149 2.736 -8.496 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -8.479 1.825 -7.809 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -9.937 2.456 -9.440 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -9.332 4.100 -9.498 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -7.196 2.984 -10.595 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -8.283 1.648 -10.916 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -8.731 2.822 -12.823 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -9.855 3.677 -11.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -8.473 5.207 -13.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -8.151 5.355 -11.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -7.062 4.526 -12.375 1.00 0.00 H new ATOM 930 N ASN A 66 -8.247 2.789 -4.968 1.00 0.00 N ATOM 931 CA ASN A 66 -8.770 2.189 -3.747 1.00 0.00 C ATOM 932 C ASN A 66 -9.136 3.262 -2.727 1.00 0.00 C ATOM 933 O ASN A 66 -8.693 4.406 -2.827 1.00 0.00 O ATOM 934 CB ASN A 66 -7.744 1.226 -3.146 1.00 0.00 C ATOM 935 CG ASN A 66 -7.296 0.169 -4.135 1.00 0.00 C ATOM 936 OD1 ASN A 66 -8.114 -0.561 -4.695 1.00 0.00 O ATOM 937 ND2 ASN A 66 -5.989 0.078 -4.353 1.00 0.00 N ATOM 0 H ASN A 66 -7.229 2.807 -5.027 1.00 0.00 H new ATOM 0 HA ASN A 66 -9.672 1.634 -4.003 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -6.877 1.791 -2.804 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -8.174 0.741 -2.270 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -5.628 -0.617 -5.006 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -5.346 0.703 -3.867 1.00 0.00 H new ATOM 944 N ASN A 67 -9.950 2.886 -1.746 1.00 0.00 N ATOM 945 CA ASN A 67 -10.377 3.816 -0.707 1.00 0.00 C ATOM 946 C ASN A 67 -9.877 3.368 0.663 1.00 0.00 C ATOM 947 O ASN A 67 -10.518 3.623 1.682 1.00 0.00 O ATOM 948 CB ASN A 67 -11.902 3.932 -0.692 1.00 0.00 C ATOM 949 CG ASN A 67 -12.582 2.593 -0.485 1.00 0.00 C ATOM 950 OD1 ASN A 67 -11.988 1.659 0.053 1.00 0.00 O ATOM 951 ND2 ASN A 67 -13.835 2.493 -0.913 1.00 0.00 N ATOM 0 H ASN A 67 -10.327 1.943 -1.649 1.00 0.00 H new ATOM 0 HA ASN A 67 -9.947 4.793 -0.930 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -12.204 4.616 0.101 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -12.240 4.366 -1.633 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -14.344 1.616 -0.801 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -14.289 3.293 -1.354 1.00 0.00 H new ATOM 958 N GLY A 68 -8.729 2.700 0.679 1.00 0.00 N ATOM 959 CA GLY A 68 -8.163 2.227 1.929 1.00 0.00 C ATOM 960 C GLY A 68 -8.417 0.750 2.159 1.00 0.00 C ATOM 961 O GLY A 68 -7.517 0.016 2.568 1.00 0.00 O ATOM 0 H GLY A 68 -8.180 2.477 -0.151 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -7.089 2.412 1.931 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -8.586 2.798 2.755 1.00 0.00 H new ATOM 965 N SER A 69 -9.644 0.315 1.896 1.00 0.00 N ATOM 966 CA SER A 69 -10.014 -1.084 2.077 1.00 0.00 C ATOM 967 C SER A 69 -10.344 -1.735 0.737 1.00 0.00 C ATOM 968 O SER A 69 -11.018 -1.140 -0.103 1.00 0.00 O ATOM 969 CB SER A 69 -11.211 -1.199 3.023 1.00 0.00 C ATOM 970 OG SER A 69 -12.367 -0.607 2.456 1.00 0.00 O ATOM 0 H SER A 69 -10.399 0.911 1.557 1.00 0.00 H new ATOM 0 HA SER A 69 -9.164 -1.606 2.515 1.00 0.00 H new ATOM 0 HB2 SER A 69 -11.406 -2.249 3.242 1.00 0.00 H new ATOM 0 HB3 SER A 69 -10.978 -0.714 3.971 1.00 0.00 H new ATOM 0 HG SER A 69 -13.118 -0.695 3.079 1.00 0.00 H new ATOM 976 N VAL A 70 -9.868 -2.960 0.546 1.00 0.00 N ATOM 977 CA VAL A 70 -10.112 -3.693 -0.691 1.00 0.00 C ATOM 978 C VAL A 70 -11.065 -4.861 -0.457 1.00 0.00 C ATOM 979 O VAL A 70 -10.659 -5.918 0.024 1.00 0.00 O ATOM 980 CB VAL A 70 -8.801 -4.227 -1.297 1.00 0.00 C ATOM 981 CG1 VAL A 70 -9.057 -4.851 -2.661 1.00 0.00 C ATOM 982 CG2 VAL A 70 -7.766 -3.117 -1.398 1.00 0.00 C ATOM 0 H VAL A 70 -9.310 -3.467 1.233 1.00 0.00 H new ATOM 0 HA VAL A 70 -10.565 -2.991 -1.391 1.00 0.00 H new ATOM 0 HB VAL A 70 -8.408 -5.000 -0.637 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -8.119 -5.222 -3.073 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -9.760 -5.677 -2.557 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -9.476 -4.101 -3.332 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -6.847 -3.515 -1.829 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -8.149 -2.319 -2.034 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -7.559 -2.721 -0.404 1.00 0.00 H new ATOM 992 N GLY A 71 -12.333 -4.661 -0.800 1.00 0.00 N ATOM 993 CA GLY A 71 -13.324 -5.706 -0.620 1.00 0.00 C ATOM 994 C GLY A 71 -13.796 -5.815 0.816 1.00 0.00 C ATOM 995 O GLY A 71 -14.310 -4.849 1.382 1.00 0.00 O ATOM 0 H GLY A 71 -12.692 -3.794 -1.199 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -14.179 -5.507 -1.266 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -12.902 -6.661 -0.934 1.00 0.00 H new ATOM 999 N ARG A 72 -13.622 -6.992 1.408 1.00 0.00 N ATOM 1000 CA ARG A 72 -14.035 -7.224 2.787 1.00 0.00 C ATOM 1001 C ARG A 72 -12.833 -7.202 3.727 1.00 0.00 C ATOM 1002 O ARG A 72 -12.826 -7.874 4.758 1.00 0.00 O ATOM 1003 CB ARG A 72 -14.766 -8.562 2.905 1.00 0.00 C ATOM 1004 CG ARG A 72 -16.278 -8.441 2.789 1.00 0.00 C ATOM 1005 CD ARG A 72 -16.831 -9.342 1.697 1.00 0.00 C ATOM 1006 NE ARG A 72 -17.949 -8.722 0.991 1.00 0.00 N ATOM 1007 CZ ARG A 72 -19.163 -8.566 1.514 1.00 0.00 C ATOM 1008 NH1 ARG A 72 -19.420 -8.982 2.748 1.00 0.00 N ATOM 1009 NH2 ARG A 72 -20.123 -7.991 0.803 1.00 0.00 N ATOM 0 H ARG A 72 -13.197 -7.801 0.954 1.00 0.00 H new ATOM 0 HA ARG A 72 -14.713 -6.421 3.076 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -14.403 -9.235 2.128 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -14.519 -9.019 3.863 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -16.738 -8.700 3.743 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -16.545 -7.406 2.577 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -16.039 -9.578 0.986 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -17.157 -10.285 2.136 1.00 0.00 H new ATOM 0 HE ARG A 72 -17.790 -8.389 0.040 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -18.685 -9.424 3.301 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -20.352 -8.860 3.144 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -19.931 -7.668 -0.145 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -21.053 -7.872 1.204 1.00 0.00 H new ATOM 1023 N VAL A 73 -11.817 -6.426 3.363 1.00 0.00 N ATOM 1024 CA VAL A 73 -10.610 -6.317 4.173 1.00 0.00 C ATOM 1025 C VAL A 73 -10.141 -4.869 4.267 1.00 0.00 C ATOM 1026 O VAL A 73 -10.153 -4.137 3.277 1.00 0.00 O ATOM 1027 CB VAL A 73 -9.469 -7.178 3.601 1.00 0.00 C ATOM 1028 CG1 VAL A 73 -8.290 -7.210 4.560 1.00 0.00 C ATOM 1029 CG2 VAL A 73 -9.962 -8.585 3.300 1.00 0.00 C ATOM 0 H VAL A 73 -11.806 -5.864 2.512 1.00 0.00 H new ATOM 0 HA VAL A 73 -10.864 -6.680 5.169 1.00 0.00 H new ATOM 0 HB VAL A 73 -9.133 -6.729 2.667 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -7.494 -7.823 4.138 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -7.922 -6.196 4.718 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -8.608 -7.633 5.513 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -9.142 -9.179 2.896 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -10.327 -9.047 4.217 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -10.770 -8.539 2.570 1.00 0.00 H new ATOM 1039 N GLN A 74 -9.728 -4.462 5.462 1.00 0.00 N ATOM 1040 CA GLN A 74 -9.255 -3.101 5.685 1.00 0.00 C ATOM 1041 C GLN A 74 -7.744 -3.077 5.888 1.00 0.00 C ATOM 1042 O GLN A 74 -7.186 -3.930 6.578 1.00 0.00 O ATOM 1043 CB GLN A 74 -9.955 -2.488 6.900 1.00 0.00 C ATOM 1044 CG GLN A 74 -9.539 -1.053 7.179 1.00 0.00 C ATOM 1045 CD GLN A 74 -10.194 -0.063 6.237 1.00 0.00 C ATOM 1046 OE1 GLN A 74 -11.419 0.018 6.155 1.00 0.00 O ATOM 1047 NE2 GLN A 74 -9.376 0.697 5.517 1.00 0.00 N ATOM 0 H GLN A 74 -9.711 -5.055 6.291 1.00 0.00 H new ATOM 0 HA GLN A 74 -9.494 -2.510 4.801 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -11.033 -2.522 6.743 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -9.741 -3.097 7.778 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -9.797 -0.797 8.206 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -8.456 -0.969 7.092 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -8.366 0.596 5.617 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -9.758 1.381 4.864 1.00 0.00 H new ATOM 1056 N TYR A 75 -7.086 -2.092 5.284 1.00 0.00 N ATOM 1057 CA TYR A 75 -5.640 -1.955 5.398 1.00 0.00 C ATOM 1058 C TYR A 75 -5.269 -0.637 6.071 1.00 0.00 C ATOM 1059 O TYR A 75 -4.604 -0.622 7.106 1.00 0.00 O ATOM 1060 CB TYR A 75 -4.987 -2.038 4.017 1.00 0.00 C ATOM 1061 CG TYR A 75 -5.336 -3.297 3.256 1.00 0.00 C ATOM 1062 CD1 TYR A 75 -6.496 -3.374 2.497 1.00 0.00 C ATOM 1063 CD2 TYR A 75 -4.504 -4.409 3.298 1.00 0.00 C ATOM 1064 CE1 TYR A 75 -6.817 -4.523 1.799 1.00 0.00 C ATOM 1065 CE2 TYR A 75 -4.818 -5.561 2.603 1.00 0.00 C ATOM 1066 CZ TYR A 75 -5.976 -5.613 1.856 1.00 0.00 C ATOM 1067 OH TYR A 75 -6.293 -6.760 1.163 1.00 0.00 O ATOM 0 H TYR A 75 -7.533 -1.377 4.710 1.00 0.00 H new ATOM 0 HA TYR A 75 -5.271 -2.774 6.016 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -5.290 -1.172 3.428 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -3.905 -1.982 4.132 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -7.158 -2.522 2.451 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -3.597 -4.372 3.883 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -7.722 -4.566 1.212 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -4.160 -6.416 2.645 1.00 0.00 H new ATOM 0 HH TYR A 75 -5.825 -6.762 0.302 1.00 0.00 H new ATOM 1077 N PHE A 76 -5.704 0.468 5.474 1.00 0.00 N ATOM 1078 CA PHE A 76 -5.418 1.792 6.015 1.00 0.00 C ATOM 1079 C PHE A 76 -6.535 2.773 5.675 1.00 0.00 C ATOM 1080 O PHE A 76 -7.055 2.773 4.559 1.00 0.00 O ATOM 1081 CB PHE A 76 -4.085 2.310 5.472 1.00 0.00 C ATOM 1082 CG PHE A 76 -4.064 2.462 3.978 1.00 0.00 C ATOM 1083 CD1 PHE A 76 -3.855 1.363 3.161 1.00 0.00 C ATOM 1084 CD2 PHE A 76 -4.252 3.704 3.391 1.00 0.00 C ATOM 1085 CE1 PHE A 76 -3.835 1.499 1.784 1.00 0.00 C ATOM 1086 CE2 PHE A 76 -4.233 3.845 2.017 1.00 0.00 C ATOM 1087 CZ PHE A 76 -4.023 2.742 1.213 1.00 0.00 C ATOM 0 H PHE A 76 -6.256 0.473 4.616 1.00 0.00 H new ATOM 0 HA PHE A 76 -5.353 1.707 7.100 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -3.865 3.274 5.930 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -3.290 1.627 5.771 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -3.706 0.389 3.604 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -4.415 4.570 4.015 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -3.673 0.635 1.157 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -4.382 4.818 1.572 1.00 0.00 H new ATOM 0 HZ PHE A 76 -4.006 2.852 0.139 1.00 0.00 H new ATOM 1097 N LYS A 77 -6.899 3.607 6.643 1.00 0.00 N ATOM 1098 CA LYS A 77 -7.954 4.594 6.445 1.00 0.00 C ATOM 1099 C LYS A 77 -7.482 5.720 5.532 1.00 0.00 C ATOM 1100 O LYS A 77 -6.338 6.167 5.623 1.00 0.00 O ATOM 1101 CB LYS A 77 -8.402 5.168 7.791 1.00 0.00 C ATOM 1102 CG LYS A 77 -9.370 4.268 8.543 1.00 0.00 C ATOM 1103 CD LYS A 77 -8.989 4.141 10.010 1.00 0.00 C ATOM 1104 CE LYS A 77 -9.280 5.422 10.775 1.00 0.00 C ATOM 1105 NZ LYS A 77 -10.548 5.330 11.551 1.00 0.00 N ATOM 0 H LYS A 77 -6.479 3.619 7.572 1.00 0.00 H new ATOM 0 HA LYS A 77 -8.799 4.096 5.970 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -7.524 5.343 8.413 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -8.873 6.137 7.625 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -10.380 4.670 8.462 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -9.382 3.280 8.082 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -9.540 3.315 10.460 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -7.929 3.900 10.092 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -8.454 5.635 11.453 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -9.342 6.256 10.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -10.710 6.223 12.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -11.340 5.152 10.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -10.480 4.550 12.236 1.00 0.00 H new ATOM 1119 N CYS A 78 -8.368 6.175 4.653 1.00 0.00 N ATOM 1120 CA CYS A 78 -8.040 7.249 3.723 1.00 0.00 C ATOM 1121 C CYS A 78 -9.255 7.631 2.883 1.00 0.00 C ATOM 1122 O CYS A 78 -10.330 7.051 3.029 1.00 0.00 O ATOM 1123 CB CYS A 78 -6.887 6.830 2.811 1.00 0.00 C ATOM 1124 SG CYS A 78 -7.222 5.346 1.833 1.00 0.00 S ATOM 0 H CYS A 78 -9.319 5.817 4.565 1.00 0.00 H new ATOM 0 HA CYS A 78 -7.735 8.118 4.305 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -6.655 7.653 2.135 1.00 0.00 H new ATOM 0 HB3 CYS A 78 -6.000 6.658 3.420 1.00 0.00 H new ATOM 0 HG CYS A 78 -6.231 4.513 1.955 1.00 0.00 H new ATOM 1130 N ALA A 79 -9.075 8.613 2.005 1.00 0.00 N ATOM 1131 CA ALA A 79 -10.155 9.072 1.141 1.00 0.00 C ATOM 1132 C ALA A 79 -10.271 8.199 -0.107 1.00 0.00 C ATOM 1133 O ALA A 79 -9.386 7.392 -0.392 1.00 0.00 O ATOM 1134 CB ALA A 79 -9.936 10.527 0.753 1.00 0.00 C ATOM 0 H ALA A 79 -8.191 9.105 1.874 1.00 0.00 H new ATOM 0 HA ALA A 79 -11.090 8.991 1.695 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -10.750 10.858 0.108 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -9.912 11.144 1.652 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -8.989 10.623 0.222 1.00 0.00 H new ATOM 1140 N PRO A 80 -11.369 8.348 -0.868 1.00 0.00 N ATOM 1141 CA PRO A 80 -11.594 7.567 -2.089 1.00 0.00 C ATOM 1142 C PRO A 80 -10.654 7.972 -3.219 1.00 0.00 C ATOM 1143 O PRO A 80 -10.404 9.157 -3.439 1.00 0.00 O ATOM 1144 CB PRO A 80 -13.043 7.891 -2.456 1.00 0.00 C ATOM 1145 CG PRO A 80 -13.292 9.234 -1.862 1.00 0.00 C ATOM 1146 CD PRO A 80 -12.475 9.287 -0.600 1.00 0.00 C ATOM 0 HA PRO A 80 -11.407 6.505 -1.933 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -13.184 7.904 -3.537 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -13.730 7.146 -2.053 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -12.998 10.026 -2.551 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -14.351 9.375 -1.647 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -12.108 10.294 -0.401 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -13.058 8.983 0.269 1.00 0.00 H new ATOM 1154 N LYS A 81 -10.137 6.977 -3.935 1.00 0.00 N ATOM 1155 CA LYS A 81 -9.224 7.227 -5.046 1.00 0.00 C ATOM 1156 C LYS A 81 -7.942 7.900 -4.563 1.00 0.00 C ATOM 1157 O LYS A 81 -7.309 8.653 -5.304 1.00 0.00 O ATOM 1158 CB LYS A 81 -9.903 8.098 -6.105 1.00 0.00 C ATOM 1159 CG LYS A 81 -11.220 7.529 -6.608 1.00 0.00 C ATOM 1160 CD LYS A 81 -11.065 6.887 -7.977 1.00 0.00 C ATOM 1161 CE LYS A 81 -10.715 7.917 -9.039 1.00 0.00 C ATOM 1162 NZ LYS A 81 -11.915 8.360 -9.800 1.00 0.00 N ATOM 0 H LYS A 81 -10.335 5.991 -3.766 1.00 0.00 H new ATOM 0 HA LYS A 81 -8.961 6.266 -5.488 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -10.081 9.089 -5.688 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -9.225 8.224 -6.949 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -11.592 6.790 -5.899 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -11.964 8.324 -6.660 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -10.286 6.125 -7.937 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -11.991 6.382 -8.250 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -10.246 8.780 -8.567 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -9.984 7.494 -9.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -11.634 9.062 -10.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -12.349 7.541 -10.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -12.602 8.787 -9.147 1.00 0.00 H new ATOM 1176 N TYR A 82 -7.566 7.625 -3.319 1.00 0.00 N ATOM 1177 CA TYR A 82 -6.358 8.206 -2.739 1.00 0.00 C ATOM 1178 C TYR A 82 -5.328 7.125 -2.420 1.00 0.00 C ATOM 1179 O TYR A 82 -4.123 7.363 -2.497 1.00 0.00 O ATOM 1180 CB TYR A 82 -6.703 8.988 -1.469 1.00 0.00 C ATOM 1181 CG TYR A 82 -6.844 10.476 -1.694 1.00 0.00 C ATOM 1182 CD1 TYR A 82 -8.042 11.021 -2.139 1.00 0.00 C ATOM 1183 CD2 TYR A 82 -5.779 11.337 -1.459 1.00 0.00 C ATOM 1184 CE1 TYR A 82 -8.175 12.381 -2.343 1.00 0.00 C ATOM 1185 CE2 TYR A 82 -5.905 12.699 -1.660 1.00 0.00 C ATOM 1186 CZ TYR A 82 -7.105 13.216 -2.103 1.00 0.00 C ATOM 1187 OH TYR A 82 -7.239 14.572 -2.304 1.00 0.00 O ATOM 0 H TYR A 82 -8.079 7.004 -2.692 1.00 0.00 H new ATOM 0 HA TYR A 82 -5.926 8.886 -3.473 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -7.635 8.602 -1.056 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -5.928 8.814 -0.723 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -8.883 10.371 -2.329 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -4.838 10.936 -1.114 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -9.114 12.788 -2.689 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -5.068 13.355 -1.471 1.00 0.00 H new ATOM 0 HH TYR A 82 -6.496 15.042 -1.871 1.00 0.00 H new ATOM 1197 N GLY A 83 -5.810 5.939 -2.060 1.00 0.00 N ATOM 1198 CA GLY A 83 -4.914 4.846 -1.733 1.00 0.00 C ATOM 1199 C GLY A 83 -4.563 4.000 -2.940 1.00 0.00 C ATOM 1200 O GLY A 83 -5.249 4.048 -3.962 1.00 0.00 O ATOM 0 H GLY A 83 -6.803 5.716 -1.989 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -3.999 5.249 -1.298 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -5.378 4.215 -0.974 1.00 0.00 H new ATOM 1204 N ILE A 84 -3.490 3.225 -2.823 1.00 0.00 N ATOM 1205 CA ILE A 84 -3.046 2.364 -3.912 1.00 0.00 C ATOM 1206 C ILE A 84 -2.171 1.228 -3.389 1.00 0.00 C ATOM 1207 O ILE A 84 -1.428 1.398 -2.423 1.00 0.00 O ATOM 1208 CB ILE A 84 -2.262 3.162 -4.976 1.00 0.00 C ATOM 1209 CG1 ILE A 84 -1.867 2.256 -6.144 1.00 0.00 C ATOM 1210 CG2 ILE A 84 -1.031 3.808 -4.357 1.00 0.00 C ATOM 1211 CD1 ILE A 84 -1.948 2.937 -7.493 1.00 0.00 C ATOM 0 H ILE A 84 -2.912 3.176 -1.984 1.00 0.00 H new ATOM 0 HA ILE A 84 -3.940 1.945 -4.373 1.00 0.00 H new ATOM 0 HB ILE A 84 -2.907 3.952 -5.360 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -0.849 1.898 -5.987 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -2.516 1.380 -6.149 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -0.490 4.366 -5.121 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -1.338 4.486 -3.561 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -0.382 3.035 -3.945 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -1.654 2.235 -8.273 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -2.970 3.271 -7.671 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -1.278 3.797 -7.507 1.00 0.00 H new ATOM 1223 N PHE A 85 -2.266 0.069 -4.034 1.00 0.00 N ATOM 1224 CA PHE A 85 -1.483 -1.095 -3.633 1.00 0.00 C ATOM 1225 C PHE A 85 -0.494 -1.489 -4.725 1.00 0.00 C ATOM 1226 O PHE A 85 -0.870 -1.659 -5.884 1.00 0.00 O ATOM 1227 CB PHE A 85 -2.408 -2.271 -3.317 1.00 0.00 C ATOM 1228 CG PHE A 85 -3.179 -2.102 -2.040 1.00 0.00 C ATOM 1229 CD1 PHE A 85 -4.034 -1.024 -1.868 1.00 0.00 C ATOM 1230 CD2 PHE A 85 -3.050 -3.021 -1.010 1.00 0.00 C ATOM 1231 CE1 PHE A 85 -4.745 -0.866 -0.692 1.00 0.00 C ATOM 1232 CE2 PHE A 85 -3.758 -2.867 0.167 1.00 0.00 C ATOM 1233 CZ PHE A 85 -4.606 -1.789 0.325 1.00 0.00 C ATOM 0 H PHE A 85 -2.877 -0.089 -4.836 1.00 0.00 H new ATOM 0 HA PHE A 85 -0.920 -0.833 -2.737 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -3.110 -2.402 -4.141 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -1.814 -3.183 -3.255 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -4.146 -0.300 -2.661 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -2.389 -3.867 -1.129 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -5.408 -0.022 -0.570 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -3.648 -3.589 0.962 1.00 0.00 H new ATOM 0 HZ PHE A 85 -5.160 -1.668 1.244 1.00 0.00 H new ATOM 1243 N ALA A 86 0.772 -1.632 -4.345 1.00 0.00 N ATOM 1244 CA ALA A 86 1.815 -2.006 -5.292 1.00 0.00 C ATOM 1245 C ALA A 86 2.793 -2.999 -4.668 1.00 0.00 C ATOM 1246 O ALA A 86 2.972 -3.025 -3.450 1.00 0.00 O ATOM 1247 CB ALA A 86 2.554 -0.769 -5.779 1.00 0.00 C ATOM 0 H ALA A 86 1.099 -1.495 -3.389 1.00 0.00 H new ATOM 0 HA ALA A 86 1.340 -2.491 -6.145 1.00 0.00 H new ATOM 0 HB1 ALA A 86 3.330 -1.063 -6.486 1.00 0.00 H new ATOM 0 HB2 ALA A 86 1.852 -0.096 -6.271 1.00 0.00 H new ATOM 0 HB3 ALA A 86 3.010 -0.260 -4.930 1.00 0.00 H new ATOM 1253 N PRO A 87 3.443 -3.832 -5.499 1.00 0.00 N ATOM 1254 CA PRO A 87 4.406 -4.830 -5.023 1.00 0.00 C ATOM 1255 C PRO A 87 5.489 -4.216 -4.142 1.00 0.00 C ATOM 1256 O PRO A 87 6.195 -3.302 -4.558 1.00 0.00 O ATOM 1257 CB PRO A 87 5.017 -5.382 -6.315 1.00 0.00 C ATOM 1258 CG PRO A 87 3.981 -5.142 -7.356 1.00 0.00 C ATOM 1259 CD PRO A 87 3.288 -3.867 -6.966 1.00 0.00 C ATOM 0 HA PRO A 87 3.931 -5.590 -4.403 1.00 0.00 H new ATOM 0 HB2 PRO A 87 5.950 -4.874 -6.560 1.00 0.00 H new ATOM 0 HB3 PRO A 87 5.247 -6.443 -6.222 1.00 0.00 H new ATOM 0 HG2 PRO A 87 4.434 -5.053 -8.344 1.00 0.00 H new ATOM 0 HG3 PRO A 87 3.275 -5.971 -7.402 1.00 0.00 H new ATOM 0 HD2 PRO A 87 3.746 -2.999 -7.440 1.00 0.00 H new ATOM 0 HD3 PRO A 87 2.238 -3.873 -7.260 1.00 0.00 H new ATOM 1267 N LEU A 88 5.611 -4.727 -2.917 1.00 0.00 N ATOM 1268 CA LEU A 88 6.610 -4.228 -1.979 1.00 0.00 C ATOM 1269 C LEU A 88 7.966 -4.137 -2.659 1.00 0.00 C ATOM 1270 O LEU A 88 8.657 -3.122 -2.572 1.00 0.00 O ATOM 1271 CB LEU A 88 6.697 -5.141 -0.753 1.00 0.00 C ATOM 1272 CG LEU A 88 7.358 -4.513 0.475 1.00 0.00 C ATOM 1273 CD1 LEU A 88 6.473 -3.423 1.059 1.00 0.00 C ATOM 1274 CD2 LEU A 88 7.657 -5.577 1.521 1.00 0.00 C ATOM 0 H LEU A 88 5.031 -5.484 -2.554 1.00 0.00 H new ATOM 0 HA LEU A 88 6.311 -3.233 -1.651 1.00 0.00 H new ATOM 0 HB2 LEU A 88 5.690 -5.458 -0.483 1.00 0.00 H new ATOM 0 HB3 LEU A 88 7.251 -6.039 -1.026 1.00 0.00 H new ATOM 0 HG LEU A 88 8.300 -4.060 0.166 1.00 0.00 H new ATOM 0 HD11 LEU A 88 6.960 -2.988 1.932 1.00 0.00 H new ATOM 0 HD12 LEU A 88 6.309 -2.648 0.311 1.00 0.00 H new ATOM 0 HD13 LEU A 88 5.515 -3.851 1.354 1.00 0.00 H new ATOM 0 HD21 LEU A 88 8.127 -5.113 2.388 1.00 0.00 H new ATOM 0 HD22 LEU A 88 6.728 -6.058 1.826 1.00 0.00 H new ATOM 0 HD23 LEU A 88 8.330 -6.323 1.099 1.00 0.00 H new ATOM 1286 N SER A 89 8.325 -5.206 -3.360 1.00 0.00 N ATOM 1287 CA SER A 89 9.584 -5.254 -4.087 1.00 0.00 C ATOM 1288 C SER A 89 9.668 -4.078 -5.052 1.00 0.00 C ATOM 1289 O SER A 89 10.756 -3.631 -5.412 1.00 0.00 O ATOM 1290 CB SER A 89 9.713 -6.574 -4.850 1.00 0.00 C ATOM 1291 OG SER A 89 11.064 -6.998 -4.911 1.00 0.00 O ATOM 0 H SER A 89 7.760 -6.051 -3.439 1.00 0.00 H new ATOM 0 HA SER A 89 10.405 -5.189 -3.372 1.00 0.00 H new ATOM 0 HB2 SER A 89 9.110 -7.340 -4.362 1.00 0.00 H new ATOM 0 HB3 SER A 89 9.320 -6.454 -5.860 1.00 0.00 H new ATOM 0 HG SER A 89 11.119 -7.844 -5.402 1.00 0.00 H new ATOM 1297 N LYS A 90 8.502 -3.570 -5.453 1.00 0.00 N ATOM 1298 CA LYS A 90 8.443 -2.433 -6.359 1.00 0.00 C ATOM 1299 C LYS A 90 8.411 -1.124 -5.574 1.00 0.00 C ATOM 1300 O LYS A 90 8.616 -0.049 -6.137 1.00 0.00 O ATOM 1301 CB LYS A 90 7.213 -2.530 -7.265 1.00 0.00 C ATOM 1302 CG LYS A 90 7.413 -3.437 -8.469 1.00 0.00 C ATOM 1303 CD LYS A 90 6.841 -2.820 -9.736 1.00 0.00 C ATOM 1304 CE LYS A 90 6.976 -3.758 -10.924 1.00 0.00 C ATOM 1305 NZ LYS A 90 5.766 -3.732 -11.793 1.00 0.00 N ATOM 0 H LYS A 90 7.592 -3.929 -5.164 1.00 0.00 H new ATOM 0 HA LYS A 90 9.338 -2.447 -6.981 1.00 0.00 H new ATOM 0 HB2 LYS A 90 6.370 -2.897 -6.680 1.00 0.00 H new ATOM 0 HB3 LYS A 90 6.949 -1.531 -7.613 1.00 0.00 H new ATOM 0 HG2 LYS A 90 8.477 -3.631 -8.606 1.00 0.00 H new ATOM 0 HG3 LYS A 90 6.935 -4.399 -8.284 1.00 0.00 H new ATOM 0 HD2 LYS A 90 5.790 -2.577 -9.581 1.00 0.00 H new ATOM 0 HD3 LYS A 90 7.356 -1.884 -9.950 1.00 0.00 H new ATOM 0 HE2 LYS A 90 7.850 -3.477 -11.511 1.00 0.00 H new ATOM 0 HE3 LYS A 90 7.145 -4.774 -10.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 5.898 -4.385 -12.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 4.935 -4.025 -11.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 5.619 -2.768 -12.155 1.00 0.00 H new ATOM 1319 N ILE A 91 8.157 -1.221 -4.268 1.00 0.00 N ATOM 1320 CA ILE A 91 8.105 -0.040 -3.414 1.00 0.00 C ATOM 1321 C ILE A 91 9.470 0.245 -2.795 1.00 0.00 C ATOM 1322 O ILE A 91 10.008 -0.574 -2.050 1.00 0.00 O ATOM 1323 CB ILE A 91 7.062 -0.203 -2.289 1.00 0.00 C ATOM 1324 CG1 ILE A 91 5.690 -0.535 -2.878 1.00 0.00 C ATOM 1325 CG2 ILE A 91 6.988 1.060 -1.442 1.00 0.00 C ATOM 1326 CD1 ILE A 91 5.106 0.580 -3.718 1.00 0.00 C ATOM 0 H ILE A 91 7.985 -2.102 -3.783 1.00 0.00 H new ATOM 0 HA ILE A 91 7.812 0.798 -4.046 1.00 0.00 H new ATOM 0 HB ILE A 91 7.372 -1.028 -1.648 1.00 0.00 H new ATOM 0 HG12 ILE A 91 5.774 -1.433 -3.489 1.00 0.00 H new ATOM 0 HG13 ILE A 91 5.001 -0.766 -2.065 1.00 0.00 H new ATOM 0 HG21 ILE A 91 6.247 0.927 -0.654 1.00 0.00 H new ATOM 0 HG22 ILE A 91 7.963 1.256 -0.995 1.00 0.00 H new ATOM 0 HG23 ILE A 91 6.701 1.903 -2.070 1.00 0.00 H new ATOM 0 HD11 ILE A 91 4.133 0.274 -4.103 1.00 0.00 H new ATOM 0 HD12 ILE A 91 4.989 1.474 -3.106 1.00 0.00 H new ATOM 0 HD13 ILE A 91 5.774 0.796 -4.552 1.00 0.00 H new ATOM 1338 N SER A 92 10.024 1.412 -3.109 1.00 0.00 N ATOM 1339 CA SER A 92 11.327 1.806 -2.585 1.00 0.00 C ATOM 1340 C SER A 92 11.239 3.140 -1.851 1.00 0.00 C ATOM 1341 O SER A 92 10.184 3.773 -1.818 1.00 0.00 O ATOM 1342 CB SER A 92 12.348 1.900 -3.720 1.00 0.00 C ATOM 1343 OG SER A 92 12.740 0.614 -4.164 1.00 0.00 O ATOM 0 H SER A 92 9.591 2.101 -3.724 1.00 0.00 H new ATOM 0 HA SER A 92 11.651 1.044 -1.876 1.00 0.00 H new ATOM 0 HB2 SER A 92 11.921 2.460 -4.552 1.00 0.00 H new ATOM 0 HB3 SER A 92 13.224 2.453 -3.380 1.00 0.00 H new ATOM 0 HG SER A 92 13.391 0.703 -4.891 1.00 0.00 H new ATOM 1349 N LYS A 93 12.354 3.561 -1.266 1.00 0.00 N ATOM 1350 CA LYS A 93 12.404 4.821 -0.532 1.00 0.00 C ATOM 1351 C LYS A 93 12.349 6.009 -1.487 1.00 0.00 C ATOM 1352 O LYS A 93 12.725 5.898 -2.654 1.00 0.00 O ATOM 1353 CB LYS A 93 13.675 4.891 0.316 1.00 0.00 C ATOM 1354 CG LYS A 93 13.603 5.916 1.437 1.00 0.00 C ATOM 1355 CD LYS A 93 14.445 7.144 1.129 1.00 0.00 C ATOM 1356 CE LYS A 93 14.427 8.135 2.280 1.00 0.00 C ATOM 1357 NZ LYS A 93 13.108 8.817 2.404 1.00 0.00 N ATOM 0 H LYS A 93 13.236 3.049 -1.285 1.00 0.00 H new ATOM 0 HA LYS A 93 11.535 4.865 0.125 1.00 0.00 H new ATOM 0 HB2 LYS A 93 13.870 3.908 0.745 1.00 0.00 H new ATOM 0 HB3 LYS A 93 14.520 5.130 -0.330 1.00 0.00 H new ATOM 0 HG2 LYS A 93 12.566 6.215 1.591 1.00 0.00 H new ATOM 0 HG3 LYS A 93 13.946 5.463 2.367 1.00 0.00 H new ATOM 0 HD2 LYS A 93 15.472 6.840 0.925 1.00 0.00 H new ATOM 0 HD3 LYS A 93 14.070 7.626 0.226 1.00 0.00 H new ATOM 0 HE2 LYS A 93 14.656 7.615 3.210 1.00 0.00 H new ATOM 0 HE3 LYS A 93 15.208 8.880 2.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 13.152 9.521 3.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 12.877 9.292 1.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 12.373 8.114 2.623 1.00 0.00 H new ATOM 1371 N LEU A 94 11.879 7.146 -0.983 1.00 0.00 N ATOM 1372 CA LEU A 94 11.775 8.355 -1.792 1.00 0.00 C ATOM 1373 C LEU A 94 13.145 8.992 -1.998 1.00 0.00 C ATOM 1374 O LEU A 94 13.782 9.439 -1.044 1.00 0.00 O ATOM 1375 CB LEU A 94 10.828 9.357 -1.129 1.00 0.00 C ATOM 1376 CG LEU A 94 10.306 10.461 -2.050 1.00 0.00 C ATOM 1377 CD1 LEU A 94 9.490 9.866 -3.186 1.00 0.00 C ATOM 1378 CD2 LEU A 94 9.476 11.462 -1.262 1.00 0.00 C ATOM 0 H LEU A 94 11.564 7.255 -0.019 1.00 0.00 H new ATOM 0 HA LEU A 94 11.374 8.076 -2.767 1.00 0.00 H new ATOM 0 HB2 LEU A 94 9.976 8.813 -0.720 1.00 0.00 H new ATOM 0 HB3 LEU A 94 11.344 9.820 -0.288 1.00 0.00 H new ATOM 0 HG LEU A 94 11.160 10.985 -2.480 1.00 0.00 H new ATOM 0 HD11 LEU A 94 9.127 10.666 -3.831 1.00 0.00 H new ATOM 0 HD12 LEU A 94 10.115 9.187 -3.766 1.00 0.00 H new ATOM 0 HD13 LEU A 94 8.642 9.317 -2.776 1.00 0.00 H new ATOM 0 HD21 LEU A 94 9.112 12.241 -1.932 1.00 0.00 H new ATOM 0 HD22 LEU A 94 8.628 10.952 -0.805 1.00 0.00 H new ATOM 0 HD23 LEU A 94 10.092 11.912 -0.483 1.00 0.00 H new