USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 623 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 83 ASN : amide:sc= -0.61 K(o=-1.2,f=0.15) USER MOD Set 1.2: A 86 LYS NZ :NH3+ 157:sc= -0.621 (180deg=0) USER MOD Set 2.1: A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0.00854 USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.204 USER MOD Single : A 30 CYS SG : rot 180:sc= -1.66 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= -0.807 K(o=-0.81,f=-0.091) USER MOD Single : A 40 TYR OH : rot 180:sc= -1.36 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= -1.38! C(o=-1.4!,f=-1.5!) USER MOD Single : A 52 THR OG1 : rot -105:sc= 0.0662 USER MOD Single : A 56 ASN : amide:sc= 0.348 K(o=0.35,f=-1.4) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -112:sc= -1.37! (180deg=-5.75!) USER MOD Single : A 71 HIS : no HE2:sc= -9.62! C(o=-9.6!,f=-11!) USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 MET CE :methyl 161:sc= -2.57! (180deg=-2.82!) USER MOD Single : A 79 MET CE :methyl 166:sc= 0 (180deg=-0.325) USER MOD Single : A 80 HIS : no HE2:sc= -11.9! C(o=-12!,f=-16!) USER MOD Single : A 84 THR OG1 : rot 180:sc= -0.112 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 GLN : amide:sc= -0.673 X(o=-0.67,f=-0.4) USER MOD ----------------------------------------------------------------- ATOM 169 N ALA A 15 6.034 7.612 13.891 1.00 0.00 N ATOM 170 CA ALA A 15 4.931 6.741 13.520 1.00 0.00 C ATOM 171 C ALA A 15 4.732 6.796 12.004 1.00 0.00 C ATOM 172 O ALA A 15 4.515 7.868 11.441 1.00 0.00 O ATOM 173 CB ALA A 15 3.674 7.153 14.288 1.00 0.00 C ATOM 0 HA ALA A 15 5.152 5.707 13.787 1.00 0.00 H new ATOM 0 HB1 ALA A 15 2.847 6.500 14.010 1.00 0.00 H new ATOM 0 HB2 ALA A 15 3.858 7.069 15.359 1.00 0.00 H new ATOM 0 HB3 ALA A 15 3.420 8.184 14.043 1.00 0.00 H new ATOM 179 N LEU A 16 4.813 5.626 11.386 1.00 0.00 N ATOM 180 CA LEU A 16 4.645 5.527 9.946 1.00 0.00 C ATOM 181 C LEU A 16 3.180 5.218 9.629 1.00 0.00 C ATOM 182 O LEU A 16 2.458 4.686 10.470 1.00 0.00 O ATOM 183 CB LEU A 16 5.628 4.512 9.360 1.00 0.00 C ATOM 184 CG LEU A 16 7.107 4.756 9.670 1.00 0.00 C ATOM 185 CD1 LEU A 16 7.971 3.600 9.161 1.00 0.00 C ATOM 186 CD2 LEU A 16 7.569 6.104 9.114 1.00 0.00 C ATOM 0 H LEU A 16 4.993 4.739 11.856 1.00 0.00 H new ATOM 0 HA LEU A 16 4.882 6.478 9.468 1.00 0.00 H new ATOM 0 HB2 LEU A 16 5.359 3.521 9.727 1.00 0.00 H new ATOM 0 HB3 LEU A 16 5.502 4.496 8.277 1.00 0.00 H new ATOM 0 HG LEU A 16 7.227 4.796 10.753 1.00 0.00 H new ATOM 0 HD11 LEU A 16 9.017 3.798 9.394 1.00 0.00 H new ATOM 0 HD12 LEU A 16 7.661 2.674 9.644 1.00 0.00 H new ATOM 0 HD13 LEU A 16 7.851 3.504 8.082 1.00 0.00 H new ATOM 0 HD21 LEU A 16 8.623 6.252 9.348 1.00 0.00 H new ATOM 0 HD22 LEU A 16 7.432 6.118 8.033 1.00 0.00 H new ATOM 0 HD23 LEU A 16 6.981 6.904 9.564 1.00 0.00 H new ATOM 198 N PRO A 17 2.776 5.574 8.380 1.00 0.00 N ATOM 199 CA PRO A 17 1.410 5.341 7.941 1.00 0.00 C ATOM 200 C PRO A 17 1.180 3.860 7.631 1.00 0.00 C ATOM 201 O PRO A 17 2.133 3.106 7.443 1.00 0.00 O ATOM 202 CB PRO A 17 1.229 6.237 6.727 1.00 0.00 C ATOM 203 CG PRO A 17 2.630 6.586 6.253 1.00 0.00 C ATOM 204 CD PRO A 17 3.604 6.206 7.357 1.00 0.00 C ATOM 0 HA PRO A 17 0.674 5.580 8.709 1.00 0.00 H new ATOM 0 HB2 PRO A 17 0.668 5.726 5.945 1.00 0.00 H new ATOM 0 HB3 PRO A 17 0.669 7.136 6.985 1.00 0.00 H new ATOM 0 HG2 PRO A 17 2.867 6.050 5.334 1.00 0.00 H new ATOM 0 HG3 PRO A 17 2.703 7.650 6.029 1.00 0.00 H new ATOM 0 HD2 PRO A 17 4.371 5.523 6.991 1.00 0.00 H new ATOM 0 HD3 PRO A 17 4.119 7.083 7.750 1.00 0.00 H new ATOM 212 N VAL A 18 -0.091 3.489 7.587 1.00 0.00 N ATOM 213 CA VAL A 18 -0.459 2.112 7.303 1.00 0.00 C ATOM 214 C VAL A 18 -0.976 2.013 5.866 1.00 0.00 C ATOM 215 O VAL A 18 -1.935 2.690 5.499 1.00 0.00 O ATOM 216 CB VAL A 18 -1.472 1.617 8.338 1.00 0.00 C ATOM 217 CG1 VAL A 18 -1.913 0.185 8.031 1.00 0.00 C ATOM 218 CG2 VAL A 18 -0.905 1.725 9.754 1.00 0.00 C ATOM 0 H VAL A 18 -0.879 4.118 7.743 1.00 0.00 H new ATOM 0 HA VAL A 18 0.411 1.460 7.381 1.00 0.00 H new ATOM 0 HB VAL A 18 -2.352 2.258 8.280 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -2.633 -0.143 8.781 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -2.376 0.150 7.045 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -1.045 -0.474 8.048 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -1.644 1.367 10.470 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -0.002 1.120 9.831 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -0.664 2.766 9.971 1.00 0.00 H new ATOM 228 N LEU A 19 -0.317 1.163 5.092 1.00 0.00 N ATOM 229 CA LEU A 19 -0.698 0.966 3.703 1.00 0.00 C ATOM 230 C LEU A 19 -1.330 -0.418 3.543 1.00 0.00 C ATOM 231 O LEU A 19 -0.661 -1.434 3.726 1.00 0.00 O ATOM 232 CB LEU A 19 0.499 1.206 2.780 1.00 0.00 C ATOM 233 CG LEU A 19 0.231 1.056 1.282 1.00 0.00 C ATOM 234 CD1 LEU A 19 -0.259 2.373 0.677 1.00 0.00 C ATOM 235 CD2 LEU A 19 1.464 0.515 0.556 1.00 0.00 C ATOM 0 H LEU A 19 0.478 0.603 5.400 1.00 0.00 H new ATOM 0 HA LEU A 19 -1.451 1.697 3.407 1.00 0.00 H new ATOM 0 HB2 LEU A 19 0.877 2.212 2.962 1.00 0.00 H new ATOM 0 HB3 LEU A 19 1.292 0.512 3.058 1.00 0.00 H new ATOM 0 HG LEU A 19 -0.567 0.325 1.150 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.442 2.238 -0.389 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.183 2.677 1.168 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.499 3.143 0.820 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.246 0.418 -0.508 1.00 0.00 H new ATOM 0 HD22 LEU A 19 2.299 1.202 0.694 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.727 -0.461 0.963 1.00 0.00 H new ATOM 247 N THR A 20 -2.610 -0.413 3.204 1.00 0.00 N ATOM 248 CA THR A 20 -3.340 -1.655 3.017 1.00 0.00 C ATOM 249 C THR A 20 -3.017 -2.263 1.651 1.00 0.00 C ATOM 250 O THR A 20 -3.141 -1.596 0.625 1.00 0.00 O ATOM 251 CB THR A 20 -4.829 -1.364 3.216 1.00 0.00 C ATOM 252 OG1 THR A 20 -4.856 -0.388 4.254 1.00 0.00 O ATOM 253 CG2 THR A 20 -5.585 -2.556 3.806 1.00 0.00 C ATOM 0 H THR A 20 -3.161 0.432 3.054 1.00 0.00 H new ATOM 0 HA THR A 20 -3.040 -2.404 3.750 1.00 0.00 H new ATOM 0 HB THR A 20 -5.276 -1.088 2.261 1.00 0.00 H new ATOM 0 HG1 THR A 20 -5.785 -0.140 4.446 1.00 0.00 H new ATOM 0 HG21 THR A 20 -6.637 -2.296 3.927 1.00 0.00 H new ATOM 0 HG22 THR A 20 -5.497 -3.411 3.135 1.00 0.00 H new ATOM 0 HG23 THR A 20 -5.161 -2.812 4.777 1.00 0.00 H new ATOM 261 N LEU A 21 -2.609 -3.524 1.681 1.00 0.00 N ATOM 262 CA LEU A 21 -2.268 -4.229 0.458 1.00 0.00 C ATOM 263 C LEU A 21 -3.152 -5.471 0.326 1.00 0.00 C ATOM 264 O LEU A 21 -3.168 -6.322 1.214 1.00 0.00 O ATOM 265 CB LEU A 21 -0.769 -4.534 0.415 1.00 0.00 C ATOM 266 CG LEU A 21 -0.352 -5.729 -0.445 1.00 0.00 C ATOM 267 CD1 LEU A 21 -0.947 -5.627 -1.850 1.00 0.00 C ATOM 268 CD2 LEU A 21 1.171 -5.876 -0.476 1.00 0.00 C ATOM 0 H LEU A 21 -2.507 -4.075 2.533 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.467 -3.602 -0.411 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.249 -3.649 0.049 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -0.424 -4.707 1.434 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.754 -6.635 0.009 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.635 -6.488 -2.441 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.035 -5.607 -1.784 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.596 -4.713 -2.328 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.441 -6.732 -1.094 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.615 -4.973 -0.894 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.543 -6.028 0.537 1.00 0.00 H new ATOM 280 N PHE A 22 -3.866 -5.535 -0.788 1.00 0.00 N ATOM 281 CA PHE A 22 -4.750 -6.658 -1.047 1.00 0.00 C ATOM 282 C PHE A 22 -4.216 -7.525 -2.189 1.00 0.00 C ATOM 283 O PHE A 22 -4.319 -7.152 -3.356 1.00 0.00 O ATOM 284 CB PHE A 22 -6.105 -6.077 -1.455 1.00 0.00 C ATOM 285 CG PHE A 22 -6.864 -5.404 -0.309 1.00 0.00 C ATOM 286 CD1 PHE A 22 -7.542 -6.162 0.594 1.00 0.00 C ATOM 287 CD2 PHE A 22 -6.861 -4.049 -0.194 1.00 0.00 C ATOM 288 CE1 PHE A 22 -8.247 -5.538 1.658 1.00 0.00 C ATOM 289 CE2 PHE A 22 -7.566 -3.425 0.869 1.00 0.00 C ATOM 290 CZ PHE A 22 -8.244 -4.183 1.773 1.00 0.00 C ATOM 0 H PHE A 22 -3.850 -4.827 -1.522 1.00 0.00 H new ATOM 0 HA PHE A 22 -4.827 -7.283 -0.157 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -5.952 -5.350 -2.252 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -6.722 -6.876 -1.866 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -7.544 -7.238 0.502 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -6.322 -3.447 -0.911 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -8.785 -6.140 2.375 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -7.564 -2.349 0.960 1.00 0.00 H new ATOM 0 HZ PHE A 22 -8.780 -3.709 2.582 1.00 0.00 H new ATOM 300 N THR A 23 -3.657 -8.666 -1.812 1.00 0.00 N ATOM 301 CA THR A 23 -3.106 -9.588 -2.790 1.00 0.00 C ATOM 302 C THR A 23 -3.825 -10.937 -2.715 1.00 0.00 C ATOM 303 O THR A 23 -4.317 -11.324 -1.656 1.00 0.00 O ATOM 304 CB THR A 23 -1.599 -9.689 -2.548 1.00 0.00 C ATOM 305 OG1 THR A 23 -1.194 -10.805 -3.337 1.00 0.00 O ATOM 306 CG2 THR A 23 -1.262 -10.105 -1.115 1.00 0.00 C ATOM 0 H THR A 23 -3.574 -8.973 -0.843 1.00 0.00 H new ATOM 0 HA THR A 23 -3.263 -9.227 -3.806 1.00 0.00 H new ATOM 0 HB THR A 23 -1.132 -8.729 -2.767 1.00 0.00 H new ATOM 0 HG1 THR A 23 -0.228 -10.941 -3.240 1.00 0.00 H new ATOM 0 HG21 THR A 23 -0.180 -10.162 -0.997 1.00 0.00 H new ATOM 0 HG22 THR A 23 -1.665 -9.370 -0.418 1.00 0.00 H new ATOM 0 HG23 THR A 23 -1.701 -11.081 -0.907 1.00 0.00 H new ATOM 314 N LYS A 24 -3.863 -11.615 -3.852 1.00 0.00 N ATOM 315 CA LYS A 24 -4.514 -12.912 -3.929 1.00 0.00 C ATOM 316 C LYS A 24 -3.738 -13.811 -4.894 1.00 0.00 C ATOM 317 O LYS A 24 -3.587 -13.480 -6.069 1.00 0.00 O ATOM 318 CB LYS A 24 -5.991 -12.750 -4.292 1.00 0.00 C ATOM 319 CG LYS A 24 -6.150 -12.060 -5.648 1.00 0.00 C ATOM 320 CD LYS A 24 -7.596 -12.145 -6.141 1.00 0.00 C ATOM 321 CE LYS A 24 -7.726 -13.155 -7.284 1.00 0.00 C ATOM 322 NZ LYS A 24 -8.234 -12.491 -8.505 1.00 0.00 N ATOM 0 H LYS A 24 -3.453 -11.291 -4.728 1.00 0.00 H new ATOM 0 HA LYS A 24 -4.501 -13.403 -2.956 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -6.472 -13.728 -4.319 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -6.497 -12.167 -3.522 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -5.851 -11.015 -5.565 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -5.486 -12.525 -6.377 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -8.248 -12.436 -5.318 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -7.927 -11.163 -6.479 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -6.757 -13.611 -7.487 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -8.401 -13.959 -6.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -8.317 -13.189 -9.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -9.168 -12.077 -8.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -7.575 -11.739 -8.791 1.00 0.00 H new ATOM 385 N LEU A 29 0.766 -9.499 -10.510 1.00 0.00 N ATOM 386 CA LEU A 29 0.904 -8.106 -10.121 1.00 0.00 C ATOM 387 C LEU A 29 1.064 -8.018 -8.602 1.00 0.00 C ATOM 388 O LEU A 29 2.132 -7.660 -8.106 1.00 0.00 O ATOM 389 CB LEU A 29 -0.264 -7.279 -10.664 1.00 0.00 C ATOM 390 CG LEU A 29 -0.170 -6.874 -12.137 1.00 0.00 C ATOM 391 CD1 LEU A 29 0.945 -5.849 -12.354 1.00 0.00 C ATOM 392 CD2 LEU A 29 -0.003 -8.102 -13.034 1.00 0.00 C ATOM 0 HA LEU A 29 1.803 -7.675 -10.563 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.183 -7.847 -10.522 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.353 -6.374 -10.063 1.00 0.00 H new ATOM 0 HG LEU A 29 -1.107 -6.394 -12.420 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.990 -5.578 -13.409 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.741 -4.958 -11.759 1.00 0.00 H new ATOM 0 HD13 LEU A 29 1.899 -6.279 -12.049 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.061 -7.786 -14.075 1.00 0.00 H new ATOM 0 HD22 LEU A 29 0.909 -8.632 -12.759 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -0.860 -8.764 -12.908 1.00 0.00 H new ATOM 404 N CYS A 30 -0.012 -8.351 -7.905 1.00 0.00 N ATOM 405 CA CYS A 30 -0.004 -8.315 -6.452 1.00 0.00 C ATOM 406 C CYS A 30 1.335 -8.872 -5.965 1.00 0.00 C ATOM 407 O CYS A 30 1.825 -8.482 -4.907 1.00 0.00 O ATOM 408 CB CYS A 30 -1.189 -9.081 -5.861 1.00 0.00 C ATOM 409 SG CYS A 30 -2.749 -8.515 -6.633 1.00 0.00 S ATOM 0 H CYS A 30 -0.896 -8.647 -8.319 1.00 0.00 H new ATOM 0 HA CYS A 30 -0.114 -7.286 -6.111 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -1.060 -10.151 -6.026 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -1.231 -8.927 -4.783 1.00 0.00 H new ATOM 0 HG CYS A 30 -3.748 -9.174 -6.125 1.00 0.00 H new ATOM 415 N ASP A 31 1.889 -9.774 -6.761 1.00 0.00 N ATOM 416 CA ASP A 31 3.162 -10.388 -6.424 1.00 0.00 C ATOM 417 C ASP A 31 4.286 -9.372 -6.638 1.00 0.00 C ATOM 418 O ASP A 31 5.042 -9.074 -5.715 1.00 0.00 O ATOM 419 CB ASP A 31 3.443 -11.599 -7.317 1.00 0.00 C ATOM 420 CG ASP A 31 4.899 -12.070 -7.328 1.00 0.00 C ATOM 421 OD1 ASP A 31 5.319 -12.641 -6.299 1.00 0.00 O ATOM 422 OD2 ASP A 31 5.559 -11.849 -8.367 1.00 0.00 O ATOM 0 H ASP A 31 1.480 -10.095 -7.639 1.00 0.00 H new ATOM 0 HA ASP A 31 3.116 -10.710 -5.384 1.00 0.00 H new ATOM 0 HB2 ASP A 31 2.812 -12.426 -6.992 1.00 0.00 H new ATOM 0 HB3 ASP A 31 3.148 -11.355 -8.338 1.00 0.00 H new ATOM 427 N GLU A 32 4.360 -8.869 -7.862 1.00 0.00 N ATOM 428 CA GLU A 32 5.379 -7.893 -8.209 1.00 0.00 C ATOM 429 C GLU A 32 5.186 -6.612 -7.394 1.00 0.00 C ATOM 430 O GLU A 32 6.149 -6.057 -6.867 1.00 0.00 O ATOM 431 CB GLU A 32 5.365 -7.595 -9.709 1.00 0.00 C ATOM 432 CG GLU A 32 6.785 -7.585 -10.280 1.00 0.00 C ATOM 433 CD GLU A 32 7.033 -8.816 -11.154 1.00 0.00 C ATOM 434 OE1 GLU A 32 6.888 -9.934 -10.615 1.00 0.00 O ATOM 435 OE2 GLU A 32 7.362 -8.610 -12.343 1.00 0.00 O ATOM 0 H GLU A 32 3.731 -9.119 -8.625 1.00 0.00 H new ATOM 0 HA GLU A 32 6.355 -8.313 -7.965 1.00 0.00 H new ATOM 0 HB2 GLU A 32 4.766 -8.345 -10.227 1.00 0.00 H new ATOM 0 HB3 GLU A 32 4.891 -6.630 -9.887 1.00 0.00 H new ATOM 0 HG2 GLU A 32 6.938 -6.680 -10.868 1.00 0.00 H new ATOM 0 HG3 GLU A 32 7.508 -7.561 -9.465 1.00 0.00 H new ATOM 442 N ALA A 33 3.936 -6.180 -7.317 1.00 0.00 N ATOM 443 CA ALA A 33 3.605 -4.975 -6.576 1.00 0.00 C ATOM 444 C ALA A 33 4.443 -4.922 -5.297 1.00 0.00 C ATOM 445 O ALA A 33 5.206 -3.980 -5.090 1.00 0.00 O ATOM 446 CB ALA A 33 2.102 -4.949 -6.290 1.00 0.00 C ATOM 0 H ALA A 33 3.140 -6.643 -7.756 1.00 0.00 H new ATOM 0 HA ALA A 33 3.841 -4.087 -7.162 1.00 0.00 H new ATOM 0 HB1 ALA A 33 1.853 -4.045 -5.734 1.00 0.00 H new ATOM 0 HB2 ALA A 33 1.552 -4.959 -7.231 1.00 0.00 H new ATOM 0 HB3 ALA A 33 1.829 -5.824 -5.701 1.00 0.00 H new ATOM 452 N LYS A 34 4.271 -5.945 -4.472 1.00 0.00 N ATOM 453 CA LYS A 34 5.002 -6.026 -3.219 1.00 0.00 C ATOM 454 C LYS A 34 6.473 -5.685 -3.469 1.00 0.00 C ATOM 455 O LYS A 34 7.039 -4.830 -2.790 1.00 0.00 O ATOM 456 CB LYS A 34 4.791 -7.392 -2.563 1.00 0.00 C ATOM 457 CG LYS A 34 3.343 -7.557 -2.096 1.00 0.00 C ATOM 458 CD LYS A 34 2.821 -8.960 -2.413 1.00 0.00 C ATOM 459 CE LYS A 34 3.007 -9.897 -1.219 1.00 0.00 C ATOM 460 NZ LYS A 34 3.737 -11.118 -1.627 1.00 0.00 N ATOM 0 H LYS A 34 3.636 -6.724 -4.647 1.00 0.00 H new ATOM 0 HA LYS A 34 4.621 -5.294 -2.507 1.00 0.00 H new ATOM 0 HB2 LYS A 34 5.041 -8.182 -3.271 1.00 0.00 H new ATOM 0 HB3 LYS A 34 5.466 -7.500 -1.714 1.00 0.00 H new ATOM 0 HG2 LYS A 34 3.280 -7.376 -1.023 1.00 0.00 H new ATOM 0 HG3 LYS A 34 2.713 -6.812 -2.583 1.00 0.00 H new ATOM 0 HD2 LYS A 34 1.765 -8.908 -2.678 1.00 0.00 H new ATOM 0 HD3 LYS A 34 3.347 -9.360 -3.279 1.00 0.00 H new ATOM 0 HE2 LYS A 34 3.556 -9.385 -0.429 1.00 0.00 H new ATOM 0 HE3 LYS A 34 2.035 -10.168 -0.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 3.855 -11.743 -0.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 3.198 -11.614 -2.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 4.672 -10.855 -1.999 1.00 0.00 H new ATOM 474 N GLU A 35 7.049 -6.372 -4.444 1.00 0.00 N ATOM 475 CA GLU A 35 8.443 -6.153 -4.792 1.00 0.00 C ATOM 476 C GLU A 35 8.693 -4.670 -5.072 1.00 0.00 C ATOM 477 O GLU A 35 9.802 -4.175 -4.874 1.00 0.00 O ATOM 478 CB GLU A 35 8.852 -7.014 -5.988 1.00 0.00 C ATOM 479 CG GLU A 35 8.297 -8.434 -5.857 1.00 0.00 C ATOM 480 CD GLU A 35 9.110 -9.419 -6.699 1.00 0.00 C ATOM 481 OE1 GLU A 35 10.346 -9.442 -6.511 1.00 0.00 O ATOM 482 OE2 GLU A 35 8.478 -10.128 -7.512 1.00 0.00 O ATOM 0 H GLU A 35 6.576 -7.081 -5.004 1.00 0.00 H new ATOM 0 HA GLU A 35 9.060 -6.452 -3.945 1.00 0.00 H new ATOM 0 HB2 GLU A 35 8.486 -6.560 -6.909 1.00 0.00 H new ATOM 0 HB3 GLU A 35 9.939 -7.050 -6.060 1.00 0.00 H new ATOM 0 HG2 GLU A 35 8.317 -8.741 -4.811 1.00 0.00 H new ATOM 0 HG3 GLU A 35 7.255 -8.452 -6.175 1.00 0.00 H new ATOM 489 N VAL A 36 7.644 -4.001 -5.529 1.00 0.00 N ATOM 490 CA VAL A 36 7.736 -2.585 -5.838 1.00 0.00 C ATOM 491 C VAL A 36 7.661 -1.778 -4.541 1.00 0.00 C ATOM 492 O VAL A 36 8.072 -0.619 -4.501 1.00 0.00 O ATOM 493 CB VAL A 36 6.652 -2.198 -6.847 1.00 0.00 C ATOM 494 CG1 VAL A 36 6.890 -0.789 -7.393 1.00 0.00 C ATOM 495 CG2 VAL A 36 6.570 -3.220 -7.982 1.00 0.00 C ATOM 0 H VAL A 36 6.726 -4.414 -5.693 1.00 0.00 H new ATOM 0 HA VAL A 36 8.694 -2.358 -6.307 1.00 0.00 H new ATOM 0 HB VAL A 36 5.694 -2.198 -6.327 1.00 0.00 H new ATOM 0 HG11 VAL A 36 6.106 -0.538 -8.108 1.00 0.00 H new ATOM 0 HG12 VAL A 36 6.874 -0.073 -6.571 1.00 0.00 H new ATOM 0 HG13 VAL A 36 7.860 -0.750 -7.890 1.00 0.00 H new ATOM 0 HG21 VAL A 36 5.792 -2.921 -8.685 1.00 0.00 H new ATOM 0 HG22 VAL A 36 7.528 -3.267 -8.499 1.00 0.00 H new ATOM 0 HG23 VAL A 36 6.331 -4.201 -7.572 1.00 0.00 H new ATOM 505 N LEU A 37 7.133 -2.422 -3.510 1.00 0.00 N ATOM 506 CA LEU A 37 6.998 -1.778 -2.215 1.00 0.00 C ATOM 507 C LEU A 37 8.153 -2.215 -1.311 1.00 0.00 C ATOM 508 O LEU A 37 8.077 -2.078 -0.091 1.00 0.00 O ATOM 509 CB LEU A 37 5.615 -2.052 -1.621 1.00 0.00 C ATOM 510 CG LEU A 37 4.431 -1.434 -2.368 1.00 0.00 C ATOM 511 CD1 LEU A 37 3.186 -1.388 -1.479 1.00 0.00 C ATOM 512 CD2 LEU A 37 4.791 -0.054 -2.921 1.00 0.00 C ATOM 0 H LEU A 37 6.794 -3.383 -3.546 1.00 0.00 H new ATOM 0 HA LEU A 37 7.065 -0.695 -2.319 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.468 -3.131 -1.576 1.00 0.00 H new ATOM 0 HB3 LEU A 37 5.603 -1.686 -0.594 1.00 0.00 H new ATOM 0 HG LEU A 37 4.195 -2.071 -3.221 1.00 0.00 H new ATOM 0 HD11 LEU A 37 2.359 -0.944 -2.034 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.918 -2.400 -1.176 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.393 -0.787 -0.594 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.932 0.363 -3.447 1.00 0.00 H new ATOM 0 HD22 LEU A 37 5.068 0.606 -2.099 1.00 0.00 H new ATOM 0 HD23 LEU A 37 5.630 -0.146 -3.611 1.00 0.00 H new ATOM 524 N GLN A 38 9.195 -2.733 -1.944 1.00 0.00 N ATOM 525 CA GLN A 38 10.364 -3.192 -1.213 1.00 0.00 C ATOM 526 C GLN A 38 11.084 -2.006 -0.566 1.00 0.00 C ATOM 527 O GLN A 38 11.371 -2.027 0.629 1.00 0.00 O ATOM 528 CB GLN A 38 11.309 -3.976 -2.125 1.00 0.00 C ATOM 529 CG GLN A 38 11.188 -5.481 -1.875 1.00 0.00 C ATOM 530 CD GLN A 38 12.567 -6.121 -1.706 1.00 0.00 C ATOM 531 OE1 GLN A 38 12.768 -7.022 -0.907 1.00 0.00 O ATOM 532 NE2 GLN A 38 13.503 -5.608 -2.499 1.00 0.00 N ATOM 0 H GLN A 38 9.254 -2.845 -2.956 1.00 0.00 H new ATOM 0 HA GLN A 38 10.033 -3.867 -0.423 1.00 0.00 H new ATOM 0 HB2 GLN A 38 11.079 -3.757 -3.168 1.00 0.00 H new ATOM 0 HB3 GLN A 38 12.336 -3.656 -1.951 1.00 0.00 H new ATOM 0 HG2 GLN A 38 10.589 -5.658 -0.982 1.00 0.00 H new ATOM 0 HG3 GLN A 38 10.665 -5.951 -2.708 1.00 0.00 H new ATOM 0 HE21 GLN A 38 13.267 -4.855 -3.145 1.00 0.00 H new ATOM 0 HE22 GLN A 38 14.457 -5.968 -2.461 1.00 0.00 H new ATOM 541 N PRO A 39 11.362 -0.975 -1.408 1.00 0.00 N ATOM 542 CA PRO A 39 12.043 0.217 -0.931 1.00 0.00 C ATOM 543 C PRO A 39 11.099 1.097 -0.109 1.00 0.00 C ATOM 544 O PRO A 39 11.499 2.149 0.387 1.00 0.00 O ATOM 545 CB PRO A 39 12.555 0.906 -2.186 1.00 0.00 C ATOM 546 CG PRO A 39 11.749 0.328 -3.337 1.00 0.00 C ATOM 547 CD PRO A 39 11.037 -0.916 -2.830 1.00 0.00 C ATOM 0 HA PRO A 39 12.866 -0.012 -0.254 1.00 0.00 H new ATOM 0 HB2 PRO A 39 12.423 1.986 -2.120 1.00 0.00 H new ATOM 0 HB3 PRO A 39 13.621 0.723 -2.325 1.00 0.00 H new ATOM 0 HG2 PRO A 39 11.027 1.059 -3.702 1.00 0.00 H new ATOM 0 HG3 PRO A 39 12.402 0.080 -4.173 1.00 0.00 H new ATOM 0 HD2 PRO A 39 9.961 -0.848 -2.988 1.00 0.00 H new ATOM 0 HD3 PRO A 39 11.380 -1.809 -3.352 1.00 0.00 H new ATOM 555 N TYR A 40 9.863 0.633 0.009 1.00 0.00 N ATOM 556 CA TYR A 40 8.858 1.365 0.762 1.00 0.00 C ATOM 557 C TYR A 40 8.313 0.519 1.914 1.00 0.00 C ATOM 558 O TYR A 40 7.363 0.918 2.586 1.00 0.00 O ATOM 559 CB TYR A 40 7.724 1.657 -0.222 1.00 0.00 C ATOM 560 CG TYR A 40 8.161 2.441 -1.461 1.00 0.00 C ATOM 561 CD1 TYR A 40 8.152 3.821 -1.443 1.00 0.00 C ATOM 562 CD2 TYR A 40 8.565 1.768 -2.596 1.00 0.00 C ATOM 563 CE1 TYR A 40 8.564 4.559 -2.610 1.00 0.00 C ATOM 564 CE2 TYR A 40 8.977 2.506 -3.763 1.00 0.00 C ATOM 565 CZ TYR A 40 8.956 3.865 -3.712 1.00 0.00 C ATOM 566 OH TYR A 40 9.345 4.562 -4.813 1.00 0.00 O ATOM 0 H TYR A 40 9.535 -0.240 -0.404 1.00 0.00 H new ATOM 0 HA TYR A 40 9.284 2.273 1.190 1.00 0.00 H new ATOM 0 HB2 TYR A 40 7.281 0.713 -0.540 1.00 0.00 H new ATOM 0 HB3 TYR A 40 6.945 2.218 0.294 1.00 0.00 H new ATOM 0 HD1 TYR A 40 7.836 4.348 -0.555 1.00 0.00 H new ATOM 0 HD2 TYR A 40 8.572 0.688 -2.610 1.00 0.00 H new ATOM 0 HE1 TYR A 40 8.562 5.639 -2.610 1.00 0.00 H new ATOM 0 HE2 TYR A 40 9.295 1.992 -4.658 1.00 0.00 H new ATOM 0 HH TYR A 40 9.599 3.936 -5.523 1.00 0.00 H new ATOM 576 N LYS A 41 8.936 -0.634 2.106 1.00 0.00 N ATOM 577 CA LYS A 41 8.525 -1.540 3.165 1.00 0.00 C ATOM 578 C LYS A 41 8.733 -0.862 4.520 1.00 0.00 C ATOM 579 O LYS A 41 7.956 -1.072 5.450 1.00 0.00 O ATOM 580 CB LYS A 41 9.247 -2.883 3.032 1.00 0.00 C ATOM 581 CG LYS A 41 10.741 -2.733 3.324 1.00 0.00 C ATOM 582 CD LYS A 41 11.093 -3.317 4.694 1.00 0.00 C ATOM 583 CE LYS A 41 12.558 -3.046 5.046 1.00 0.00 C ATOM 584 NZ LYS A 41 13.129 -4.186 5.797 1.00 0.00 N ATOM 0 H LYS A 41 9.723 -0.962 1.546 1.00 0.00 H new ATOM 0 HA LYS A 41 7.462 -1.766 3.081 1.00 0.00 H new ATOM 0 HB2 LYS A 41 8.809 -3.605 3.721 1.00 0.00 H new ATOM 0 HB3 LYS A 41 9.107 -3.277 2.025 1.00 0.00 H new ATOM 0 HG2 LYS A 41 11.319 -3.238 2.550 1.00 0.00 H new ATOM 0 HG3 LYS A 41 11.018 -1.679 3.292 1.00 0.00 H new ATOM 0 HD2 LYS A 41 10.446 -2.882 5.456 1.00 0.00 H new ATOM 0 HD3 LYS A 41 10.908 -4.391 4.694 1.00 0.00 H new ATOM 0 HE2 LYS A 41 13.132 -2.879 4.135 1.00 0.00 H new ATOM 0 HE3 LYS A 41 12.633 -2.136 5.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 14.123 -3.986 6.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 12.591 -4.327 6.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 13.075 -5.047 5.216 1.00 0.00 H new ATOM 598 N ASP A 42 9.787 -0.061 4.589 1.00 0.00 N ATOM 599 CA ASP A 42 10.107 0.650 5.815 1.00 0.00 C ATOM 600 C ASP A 42 9.421 2.018 5.801 1.00 0.00 C ATOM 601 O ASP A 42 9.269 2.651 6.844 1.00 0.00 O ATOM 602 CB ASP A 42 11.614 0.878 5.942 1.00 0.00 C ATOM 603 CG ASP A 42 12.190 0.637 7.339 1.00 0.00 C ATOM 604 OD1 ASP A 42 11.704 1.307 8.276 1.00 0.00 O ATOM 605 OD2 ASP A 42 13.102 -0.211 7.439 1.00 0.00 O ATOM 0 H ASP A 42 10.430 0.111 3.816 1.00 0.00 H new ATOM 0 HA ASP A 42 9.762 0.046 6.654 1.00 0.00 H new ATOM 0 HB2 ASP A 42 12.126 0.223 5.237 1.00 0.00 H new ATOM 0 HB3 ASP A 42 11.837 1.903 5.645 1.00 0.00 H new ATOM 610 N ARG A 43 9.026 2.433 4.606 1.00 0.00 N ATOM 611 CA ARG A 43 8.360 3.714 4.442 1.00 0.00 C ATOM 612 C ARG A 43 6.999 3.699 5.141 1.00 0.00 C ATOM 613 O ARG A 43 6.397 4.749 5.357 1.00 0.00 O ATOM 614 CB ARG A 43 8.162 4.046 2.962 1.00 0.00 C ATOM 615 CG ARG A 43 9.459 4.566 2.338 1.00 0.00 C ATOM 616 CD ARG A 43 9.739 6.006 2.774 1.00 0.00 C ATOM 617 NE ARG A 43 10.472 6.011 4.060 1.00 0.00 N ATOM 618 CZ ARG A 43 11.749 5.631 4.198 1.00 0.00 C ATOM 619 NH1 ARG A 43 12.443 5.212 3.131 1.00 0.00 N ATOM 620 NH2 ARG A 43 12.333 5.669 5.404 1.00 0.00 N ATOM 0 H ARG A 43 9.154 1.905 3.743 1.00 0.00 H new ATOM 0 HA ARG A 43 8.995 4.477 4.892 1.00 0.00 H new ATOM 0 HB2 ARG A 43 7.828 3.156 2.428 1.00 0.00 H new ATOM 0 HB3 ARG A 43 7.377 4.795 2.856 1.00 0.00 H new ATOM 0 HG2 ARG A 43 10.290 3.925 2.632 1.00 0.00 H new ATOM 0 HG3 ARG A 43 9.388 4.519 1.251 1.00 0.00 H new ATOM 0 HD2 ARG A 43 10.324 6.519 2.010 1.00 0.00 H new ATOM 0 HD3 ARG A 43 8.802 6.552 2.878 1.00 0.00 H new ATOM 0 HE ARG A 43 9.973 6.323 4.893 1.00 0.00 H new ATOM 0 HH11 ARG A 43 11.999 5.182 2.213 1.00 0.00 H new ATOM 0 HH12 ARG A 43 13.415 4.923 3.237 1.00 0.00 H new ATOM 0 HH21 ARG A 43 11.805 5.987 6.217 1.00 0.00 H new ATOM 0 HH22 ARG A 43 13.305 5.380 5.509 1.00 0.00 H new ATOM 634 N PHE A 44 6.555 2.496 5.475 1.00 0.00 N ATOM 635 CA PHE A 44 5.276 2.330 6.145 1.00 0.00 C ATOM 636 C PHE A 44 5.007 0.856 6.454 1.00 0.00 C ATOM 637 O PHE A 44 5.788 -0.015 6.073 1.00 0.00 O ATOM 638 CB PHE A 44 4.200 2.843 5.187 1.00 0.00 C ATOM 639 CG PHE A 44 4.318 2.292 3.764 1.00 0.00 C ATOM 640 CD1 PHE A 44 4.192 0.957 3.539 1.00 0.00 C ATOM 641 CD2 PHE A 44 4.550 3.138 2.725 1.00 0.00 C ATOM 642 CE1 PHE A 44 4.302 0.446 2.219 1.00 0.00 C ATOM 643 CE2 PHE A 44 4.661 2.626 1.404 1.00 0.00 C ATOM 644 CZ PHE A 44 4.534 1.291 1.180 1.00 0.00 C ATOM 0 H PHE A 44 7.058 1.627 5.294 1.00 0.00 H new ATOM 0 HA PHE A 44 5.275 2.877 7.088 1.00 0.00 H new ATOM 0 HB2 PHE A 44 3.219 2.583 5.586 1.00 0.00 H new ATOM 0 HB3 PHE A 44 4.251 3.931 5.149 1.00 0.00 H new ATOM 0 HD1 PHE A 44 4.008 0.285 4.364 1.00 0.00 H new ATOM 0 HD2 PHE A 44 4.650 4.198 2.904 1.00 0.00 H new ATOM 0 HE1 PHE A 44 4.201 -0.614 2.040 1.00 0.00 H new ATOM 0 HE2 PHE A 44 4.846 3.297 0.578 1.00 0.00 H new ATOM 0 HZ PHE A 44 4.618 0.902 0.176 1.00 0.00 H new ATOM 654 N ILE A 45 3.898 0.622 7.141 1.00 0.00 N ATOM 655 CA ILE A 45 3.516 -0.732 7.506 1.00 0.00 C ATOM 656 C ILE A 45 2.590 -1.303 6.430 1.00 0.00 C ATOM 657 O ILE A 45 1.396 -1.009 6.414 1.00 0.00 O ATOM 658 CB ILE A 45 2.914 -0.758 8.912 1.00 0.00 C ATOM 659 CG1 ILE A 45 3.980 -0.466 9.970 1.00 0.00 C ATOM 660 CG2 ILE A 45 2.193 -2.081 9.175 1.00 0.00 C ATOM 661 CD1 ILE A 45 3.341 0.024 11.271 1.00 0.00 C ATOM 0 H ILE A 45 3.252 1.347 7.454 1.00 0.00 H new ATOM 0 HA ILE A 45 4.393 -1.377 7.548 1.00 0.00 H new ATOM 0 HB ILE A 45 2.168 0.034 8.979 1.00 0.00 H new ATOM 0 HG12 ILE A 45 4.562 -1.367 10.163 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.673 0.287 9.595 1.00 0.00 H new ATOM 0 HG21 ILE A 45 1.774 -2.073 10.181 1.00 0.00 H new ATOM 0 HG22 ILE A 45 1.390 -2.208 8.449 1.00 0.00 H new ATOM 0 HG23 ILE A 45 2.900 -2.905 9.083 1.00 0.00 H new ATOM 0 HD11 ILE A 45 4.120 0.224 12.006 1.00 0.00 H new ATOM 0 HD12 ILE A 45 2.780 0.938 11.079 1.00 0.00 H new ATOM 0 HD13 ILE A 45 2.667 -0.741 11.656 1.00 0.00 H new ATOM 673 N LEU A 46 3.177 -2.109 5.557 1.00 0.00 N ATOM 674 CA LEU A 46 2.419 -2.724 4.480 1.00 0.00 C ATOM 675 C LEU A 46 1.502 -3.803 5.059 1.00 0.00 C ATOM 676 O LEU A 46 1.976 -4.827 5.550 1.00 0.00 O ATOM 677 CB LEU A 46 3.360 -3.237 3.388 1.00 0.00 C ATOM 678 CG LEU A 46 2.688 -3.841 2.153 1.00 0.00 C ATOM 679 CD1 LEU A 46 1.830 -2.801 1.431 1.00 0.00 C ATOM 680 CD2 LEU A 46 3.723 -4.478 1.223 1.00 0.00 C ATOM 0 H LEU A 46 4.168 -2.350 5.573 1.00 0.00 H new ATOM 0 HA LEU A 46 1.778 -1.987 3.996 1.00 0.00 H new ATOM 0 HB2 LEU A 46 3.994 -2.411 3.065 1.00 0.00 H new ATOM 0 HB3 LEU A 46 4.016 -3.990 3.825 1.00 0.00 H new ATOM 0 HG LEU A 46 2.019 -4.636 2.482 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.364 -3.257 0.557 1.00 0.00 H new ATOM 0 HD12 LEU A 46 1.056 -2.436 2.106 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.458 -1.968 1.114 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.220 -4.900 0.353 1.00 0.00 H new ATOM 0 HD22 LEU A 46 4.435 -3.720 0.898 1.00 0.00 H new ATOM 0 HD23 LEU A 46 4.252 -5.269 1.755 1.00 0.00 H new ATOM 692 N GLN A 47 0.207 -3.538 4.982 1.00 0.00 N ATOM 693 CA GLN A 47 -0.781 -4.474 5.492 1.00 0.00 C ATOM 694 C GLN A 47 -1.240 -5.419 4.380 1.00 0.00 C ATOM 695 O GLN A 47 -2.036 -5.037 3.525 1.00 0.00 O ATOM 696 CB GLN A 47 -1.970 -3.735 6.109 1.00 0.00 C ATOM 697 CG GLN A 47 -2.480 -4.461 7.355 1.00 0.00 C ATOM 698 CD GLN A 47 -2.088 -5.940 7.327 1.00 0.00 C ATOM 699 OE1 GLN A 47 -2.715 -6.763 6.680 1.00 0.00 O ATOM 700 NE2 GLN A 47 -1.018 -6.230 8.062 1.00 0.00 N ATOM 0 H GLN A 47 -0.182 -2.688 4.574 1.00 0.00 H new ATOM 0 HA GLN A 47 -0.317 -5.068 6.279 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -1.675 -2.719 6.371 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -2.773 -3.655 5.376 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -2.070 -3.989 8.248 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -3.564 -4.370 7.415 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -0.540 -5.493 8.579 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -0.676 -7.190 8.108 1.00 0.00 H new ATOM 709 N GLU A 48 -0.718 -6.636 4.429 1.00 0.00 N ATOM 710 CA GLU A 48 -1.065 -7.639 3.436 1.00 0.00 C ATOM 711 C GLU A 48 -2.366 -8.343 3.825 1.00 0.00 C ATOM 712 O GLU A 48 -2.363 -9.244 4.663 1.00 0.00 O ATOM 713 CB GLU A 48 0.072 -8.648 3.256 1.00 0.00 C ATOM 714 CG GLU A 48 0.910 -8.314 2.021 1.00 0.00 C ATOM 715 CD GLU A 48 2.373 -8.716 2.226 1.00 0.00 C ATOM 716 OE1 GLU A 48 2.591 -9.715 2.944 1.00 0.00 O ATOM 717 OE2 GLU A 48 3.238 -8.014 1.660 1.00 0.00 O ATOM 0 H GLU A 48 -0.058 -6.950 5.140 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.218 -7.138 2.480 1.00 0.00 H new ATOM 0 HB2 GLU A 48 0.707 -8.648 4.142 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -0.340 -9.652 3.160 1.00 0.00 H new ATOM 0 HG2 GLU A 48 0.505 -8.832 1.151 1.00 0.00 H new ATOM 0 HG3 GLU A 48 0.848 -7.246 1.813 1.00 0.00 H new ATOM 724 N VAL A 49 -3.448 -7.906 3.198 1.00 0.00 N ATOM 725 CA VAL A 49 -4.754 -8.483 3.468 1.00 0.00 C ATOM 726 C VAL A 49 -5.005 -9.641 2.500 1.00 0.00 C ATOM 727 O VAL A 49 -4.598 -9.584 1.341 1.00 0.00 O ATOM 728 CB VAL A 49 -5.831 -7.398 3.395 1.00 0.00 C ATOM 729 CG1 VAL A 49 -7.222 -7.990 3.632 1.00 0.00 C ATOM 730 CG2 VAL A 49 -5.539 -6.269 4.386 1.00 0.00 C ATOM 0 H VAL A 49 -3.447 -7.159 2.504 1.00 0.00 H new ATOM 0 HA VAL A 49 -4.790 -8.890 4.478 1.00 0.00 H new ATOM 0 HB VAL A 49 -5.814 -6.975 2.391 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -7.969 -7.198 3.575 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -7.432 -8.742 2.872 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -7.258 -8.452 4.619 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -6.319 -5.511 4.314 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -5.516 -6.671 5.399 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -4.574 -5.820 4.152 1.00 0.00 H new ATOM 740 N ASP A 50 -5.675 -10.663 3.011 1.00 0.00 N ATOM 741 CA ASP A 50 -5.986 -11.832 2.206 1.00 0.00 C ATOM 742 C ASP A 50 -7.468 -11.806 1.827 1.00 0.00 C ATOM 743 O ASP A 50 -8.328 -12.122 2.648 1.00 0.00 O ATOM 744 CB ASP A 50 -5.719 -13.123 2.983 1.00 0.00 C ATOM 745 CG ASP A 50 -4.292 -13.661 2.872 1.00 0.00 C ATOM 746 OD1 ASP A 50 -3.362 -12.838 3.014 1.00 0.00 O ATOM 747 OD2 ASP A 50 -4.163 -14.884 2.648 1.00 0.00 O ATOM 0 H ASP A 50 -6.011 -10.706 3.973 1.00 0.00 H new ATOM 0 HA ASP A 50 -5.354 -11.808 1.319 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -5.945 -12.949 4.035 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -6.409 -13.890 2.631 1.00 0.00 H new ATOM 752 N ILE A 51 -7.721 -11.426 0.583 1.00 0.00 N ATOM 753 CA ILE A 51 -9.085 -11.355 0.086 1.00 0.00 C ATOM 754 C ILE A 51 -9.579 -12.766 -0.240 1.00 0.00 C ATOM 755 O ILE A 51 -10.782 -13.022 -0.237 1.00 0.00 O ATOM 756 CB ILE A 51 -9.174 -10.384 -1.094 1.00 0.00 C ATOM 757 CG1 ILE A 51 -8.414 -10.924 -2.307 1.00 0.00 C ATOM 758 CG2 ILE A 51 -8.695 -8.988 -0.693 1.00 0.00 C ATOM 759 CD1 ILE A 51 -8.883 -10.245 -3.595 1.00 0.00 C ATOM 0 H ILE A 51 -7.005 -11.164 -0.095 1.00 0.00 H new ATOM 0 HA ILE A 51 -9.749 -10.954 0.851 1.00 0.00 H new ATOM 0 HB ILE A 51 -10.221 -10.294 -1.384 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -7.345 -10.759 -2.173 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -8.563 -12.001 -2.384 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -8.769 -8.318 -1.550 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -9.316 -8.609 0.118 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.658 -9.040 -0.362 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -8.327 -10.647 -4.442 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -9.947 -10.432 -3.738 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -8.710 -9.171 -3.524 1.00 0.00 H new ATOM 771 N THR A 52 -8.625 -13.644 -0.513 1.00 0.00 N ATOM 772 CA THR A 52 -8.948 -15.022 -0.840 1.00 0.00 C ATOM 773 C THR A 52 -9.685 -15.688 0.324 1.00 0.00 C ATOM 774 O THR A 52 -10.273 -16.756 0.162 1.00 0.00 O ATOM 775 CB THR A 52 -7.650 -15.734 -1.223 1.00 0.00 C ATOM 776 OG1 THR A 52 -6.720 -15.322 -0.225 1.00 0.00 O ATOM 777 CG2 THR A 52 -7.054 -15.203 -2.529 1.00 0.00 C ATOM 0 H THR A 52 -7.628 -13.428 -0.514 1.00 0.00 H new ATOM 0 HA THR A 52 -9.629 -15.077 -1.689 1.00 0.00 H new ATOM 0 HB THR A 52 -7.838 -16.804 -1.318 1.00 0.00 H new ATOM 0 HG1 THR A 52 -6.102 -14.664 -0.606 1.00 0.00 H new ATOM 0 HG21 THR A 52 -6.134 -15.742 -2.755 1.00 0.00 H new ATOM 0 HG22 THR A 52 -7.768 -15.348 -3.340 1.00 0.00 H new ATOM 0 HG23 THR A 52 -6.835 -14.140 -2.424 1.00 0.00 H new ATOM 785 N LEU A 53 -9.629 -15.028 1.472 1.00 0.00 N ATOM 786 CA LEU A 53 -10.284 -15.543 2.663 1.00 0.00 C ATOM 787 C LEU A 53 -11.791 -15.305 2.554 1.00 0.00 C ATOM 788 O LEU A 53 -12.235 -14.450 1.788 1.00 0.00 O ATOM 789 CB LEU A 53 -9.656 -14.941 3.922 1.00 0.00 C ATOM 790 CG LEU A 53 -8.299 -15.515 4.334 1.00 0.00 C ATOM 791 CD1 LEU A 53 -7.676 -14.691 5.463 1.00 0.00 C ATOM 792 CD2 LEU A 53 -8.419 -16.995 4.704 1.00 0.00 C ATOM 0 H LEU A 53 -9.141 -14.142 1.603 1.00 0.00 H new ATOM 0 HA LEU A 53 -10.136 -16.620 2.744 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -9.543 -13.868 3.770 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -10.352 -15.075 4.751 1.00 0.00 H new ATOM 0 HG LEU A 53 -7.627 -15.451 3.479 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -6.712 -15.120 5.737 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -7.534 -13.664 5.128 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -8.338 -14.702 6.329 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -7.440 -17.378 4.993 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -9.113 -17.107 5.537 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -8.789 -17.556 3.846 1.00 0.00 H new ATOM 804 N PRO A 54 -12.558 -16.096 3.351 1.00 0.00 N ATOM 805 CA PRO A 54 -14.006 -15.980 3.352 1.00 0.00 C ATOM 806 C PRO A 54 -14.455 -14.727 4.105 1.00 0.00 C ATOM 807 O PRO A 54 -15.295 -13.972 3.617 1.00 0.00 O ATOM 808 CB PRO A 54 -14.503 -17.267 3.989 1.00 0.00 C ATOM 809 CG PRO A 54 -13.316 -17.846 4.741 1.00 0.00 C ATOM 810 CD PRO A 54 -12.067 -17.119 4.271 1.00 0.00 C ATOM 0 HA PRO A 54 -14.420 -15.862 2.350 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -15.336 -17.072 4.665 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -14.863 -17.964 3.232 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -13.448 -17.722 5.816 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -13.229 -18.916 4.552 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -11.529 -16.674 5.108 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -11.376 -17.800 3.774 1.00 0.00 H new ATOM 818 N GLU A 55 -13.877 -14.544 5.283 1.00 0.00 N ATOM 819 CA GLU A 55 -14.207 -13.395 6.109 1.00 0.00 C ATOM 820 C GLU A 55 -13.896 -12.097 5.361 1.00 0.00 C ATOM 821 O GLU A 55 -14.479 -11.054 5.652 1.00 0.00 O ATOM 822 CB GLU A 55 -13.465 -13.450 7.446 1.00 0.00 C ATOM 823 CG GLU A 55 -11.956 -13.299 7.242 1.00 0.00 C ATOM 824 CD GLU A 55 -11.191 -13.670 8.514 1.00 0.00 C ATOM 825 OE1 GLU A 55 -11.268 -14.858 8.896 1.00 0.00 O ATOM 826 OE2 GLU A 55 -10.547 -12.758 9.076 1.00 0.00 O ATOM 0 H GLU A 55 -13.182 -15.173 5.685 1.00 0.00 H new ATOM 0 HA GLU A 55 -15.275 -13.420 6.323 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -13.828 -12.658 8.100 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -13.675 -14.396 7.944 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -11.631 -13.936 6.419 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -11.724 -12.272 6.961 1.00 0.00 H new ATOM 833 N ASN A 56 -12.977 -12.204 4.412 1.00 0.00 N ATOM 834 CA ASN A 56 -12.582 -11.051 3.621 1.00 0.00 C ATOM 835 C ASN A 56 -13.222 -11.146 2.235 1.00 0.00 C ATOM 836 O ASN A 56 -12.923 -10.343 1.352 1.00 0.00 O ATOM 837 CB ASN A 56 -11.064 -11.004 3.438 1.00 0.00 C ATOM 838 CG ASN A 56 -10.355 -10.812 4.781 1.00 0.00 C ATOM 839 OD1 ASN A 56 -10.813 -10.098 5.657 1.00 0.00 O ATOM 840 ND2 ASN A 56 -9.216 -11.489 4.892 1.00 0.00 N ATOM 0 H ASN A 56 -12.495 -13.071 4.173 1.00 0.00 H new ATOM 0 HA ASN A 56 -12.911 -10.153 4.145 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -10.722 -11.927 2.971 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -10.800 -10.189 2.764 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -8.668 -11.428 5.750 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -8.890 -12.069 4.119 1.00 0.00 H new ATOM 847 N SER A 57 -14.092 -12.134 2.086 1.00 0.00 N ATOM 848 CA SER A 57 -14.778 -12.344 0.822 1.00 0.00 C ATOM 849 C SER A 57 -15.233 -11.002 0.245 1.00 0.00 C ATOM 850 O SER A 57 -15.303 -10.838 -0.972 1.00 0.00 O ATOM 851 CB SER A 57 -15.974 -13.282 0.993 1.00 0.00 C ATOM 852 OG SER A 57 -16.710 -13.435 -0.217 1.00 0.00 O ATOM 0 H SER A 57 -14.338 -12.798 2.820 1.00 0.00 H new ATOM 0 HA SER A 57 -14.081 -12.813 0.128 1.00 0.00 H new ATOM 0 HB2 SER A 57 -15.624 -14.258 1.330 1.00 0.00 H new ATOM 0 HB3 SER A 57 -16.632 -12.893 1.770 1.00 0.00 H new ATOM 0 HG SER A 57 -17.464 -14.042 -0.067 1.00 0.00 H new ATOM 858 N THR A 58 -15.532 -10.077 1.145 1.00 0.00 N ATOM 859 CA THR A 58 -15.979 -8.755 0.741 1.00 0.00 C ATOM 860 C THR A 58 -14.840 -7.992 0.062 1.00 0.00 C ATOM 861 O THR A 58 -15.013 -7.453 -1.030 1.00 0.00 O ATOM 862 CB THR A 58 -16.535 -8.046 1.977 1.00 0.00 C ATOM 863 OG1 THR A 58 -17.678 -8.817 2.335 1.00 0.00 O ATOM 864 CG2 THR A 58 -17.105 -6.663 1.651 1.00 0.00 C ATOM 0 H THR A 58 -15.473 -10.217 2.154 1.00 0.00 H new ATOM 0 HA THR A 58 -16.775 -8.815 -0.001 1.00 0.00 H new ATOM 0 HB THR A 58 -15.748 -7.948 2.724 1.00 0.00 H new ATOM 0 HG1 THR A 58 -18.099 -8.428 3.130 1.00 0.00 H new ATOM 0 HG21 THR A 58 -17.487 -6.203 2.562 1.00 0.00 H new ATOM 0 HG22 THR A 58 -16.320 -6.036 1.229 1.00 0.00 H new ATOM 0 HG23 THR A 58 -17.915 -6.764 0.929 1.00 0.00 H new ATOM 872 N TRP A 59 -13.700 -7.970 0.738 1.00 0.00 N ATOM 873 CA TRP A 59 -12.533 -7.281 0.215 1.00 0.00 C ATOM 874 C TRP A 59 -12.331 -7.728 -1.235 1.00 0.00 C ATOM 875 O TRP A 59 -11.855 -6.956 -2.065 1.00 0.00 O ATOM 876 CB TRP A 59 -11.307 -7.533 1.095 1.00 0.00 C ATOM 877 CG TRP A 59 -11.212 -6.607 2.309 1.00 0.00 C ATOM 878 CD1 TRP A 59 -11.143 -6.948 3.603 1.00 0.00 C ATOM 879 CD2 TRP A 59 -11.177 -5.164 2.289 1.00 0.00 C ATOM 880 NE1 TRP A 59 -11.067 -5.835 4.416 1.00 0.00 N ATOM 881 CE2 TRP A 59 -11.088 -4.716 3.592 1.00 0.00 C ATOM 882 CE3 TRP A 59 -11.218 -4.268 1.207 1.00 0.00 C ATOM 883 CZ2 TRP A 59 -11.034 -3.360 3.934 1.00 0.00 C ATOM 884 CZ3 TRP A 59 -11.163 -2.916 1.566 1.00 0.00 C ATOM 885 CH2 TRP A 59 -11.074 -2.448 2.872 1.00 0.00 C ATOM 0 H TRP A 59 -13.560 -8.418 1.643 1.00 0.00 H new ATOM 0 HA TRP A 59 -12.684 -6.202 0.229 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -11.326 -8.567 1.440 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -10.408 -7.416 0.490 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -11.146 -7.966 3.964 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -11.007 -5.834 5.434 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -11.286 -4.596 0.180 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -10.965 -3.034 4.961 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -11.192 -2.185 0.772 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -11.036 -1.386 3.067 1.00 0.00 H new ATOM 896 N TYR A 60 -12.703 -8.973 -1.494 1.00 0.00 N ATOM 897 CA TYR A 60 -12.568 -9.532 -2.828 1.00 0.00 C ATOM 898 C TYR A 60 -13.751 -9.133 -3.712 1.00 0.00 C ATOM 899 O TYR A 60 -13.562 -8.638 -4.822 1.00 0.00 O ATOM 900 CB TYR A 60 -12.569 -11.052 -2.651 1.00 0.00 C ATOM 901 CG TYR A 60 -12.268 -11.828 -3.934 1.00 0.00 C ATOM 902 CD1 TYR A 60 -13.226 -11.926 -4.922 1.00 0.00 C ATOM 903 CD2 TYR A 60 -11.038 -12.432 -4.103 1.00 0.00 C ATOM 904 CE1 TYR A 60 -12.943 -12.657 -6.130 1.00 0.00 C ATOM 905 CE2 TYR A 60 -10.755 -13.163 -5.311 1.00 0.00 C ATOM 906 CZ TYR A 60 -11.721 -13.239 -6.265 1.00 0.00 C ATOM 907 OH TYR A 60 -11.453 -13.929 -7.406 1.00 0.00 O ATOM 0 H TYR A 60 -13.098 -9.610 -0.802 1.00 0.00 H new ATOM 0 HA TYR A 60 -11.659 -9.167 -3.306 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -11.831 -11.320 -1.895 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -13.542 -11.363 -2.271 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -14.188 -11.454 -4.789 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -10.288 -12.356 -3.329 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -13.684 -12.741 -6.911 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -9.797 -13.640 -5.456 1.00 0.00 H new ATOM 0 HH TYR A 60 -10.543 -14.289 -7.364 1.00 0.00 H new ATOM 917 N GLU A 61 -14.945 -9.362 -3.186 1.00 0.00 N ATOM 918 CA GLU A 61 -16.159 -9.032 -3.913 1.00 0.00 C ATOM 919 C GLU A 61 -16.129 -7.570 -4.361 1.00 0.00 C ATOM 920 O GLU A 61 -16.873 -7.176 -5.258 1.00 0.00 O ATOM 921 CB GLU A 61 -17.401 -9.321 -3.067 1.00 0.00 C ATOM 922 CG GLU A 61 -17.616 -10.827 -2.906 1.00 0.00 C ATOM 923 CD GLU A 61 -19.093 -11.192 -3.074 1.00 0.00 C ATOM 924 OE1 GLU A 61 -19.869 -10.850 -2.156 1.00 0.00 O ATOM 925 OE2 GLU A 61 -19.411 -11.803 -4.117 1.00 0.00 O ATOM 0 H GLU A 61 -15.098 -9.772 -2.265 1.00 0.00 H new ATOM 0 HA GLU A 61 -16.210 -9.662 -4.801 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -17.293 -8.859 -2.086 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -18.277 -8.873 -3.536 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -17.019 -11.364 -3.643 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -17.269 -11.144 -1.923 1.00 0.00 H new ATOM 932 N ARG A 62 -15.261 -6.804 -3.716 1.00 0.00 N ATOM 933 CA ARG A 62 -15.124 -5.394 -4.036 1.00 0.00 C ATOM 934 C ARG A 62 -13.863 -5.159 -4.870 1.00 0.00 C ATOM 935 O ARG A 62 -13.826 -4.258 -5.707 1.00 0.00 O ATOM 936 CB ARG A 62 -15.052 -4.545 -2.766 1.00 0.00 C ATOM 937 CG ARG A 62 -13.692 -4.697 -2.081 1.00 0.00 C ATOM 938 CD ARG A 62 -13.523 -3.665 -0.964 1.00 0.00 C ATOM 939 NE ARG A 62 -14.048 -4.207 0.310 1.00 0.00 N ATOM 940 CZ ARG A 62 -14.133 -3.503 1.447 1.00 0.00 C ATOM 941 NH1 ARG A 62 -13.729 -2.226 1.476 1.00 0.00 N ATOM 942 NH2 ARG A 62 -14.623 -4.076 2.554 1.00 0.00 N ATOM 0 H ARG A 62 -14.645 -7.134 -2.973 1.00 0.00 H new ATOM 0 HA ARG A 62 -16.003 -5.097 -4.608 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -15.223 -3.498 -3.014 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -15.844 -4.843 -2.079 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -13.598 -5.702 -1.670 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -12.895 -4.577 -2.815 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -12.470 -3.407 -0.852 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -14.050 -2.747 -1.223 1.00 0.00 H new ATOM 0 HE ARG A 62 -14.365 -5.177 0.323 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -13.357 -1.790 0.633 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -13.794 -1.690 2.341 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -14.931 -5.048 2.531 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -14.688 -3.540 3.420 1.00 0.00 H new ATOM 956 N TYR A 63 -12.860 -5.986 -4.614 1.00 0.00 N ATOM 957 CA TYR A 63 -11.600 -5.880 -5.330 1.00 0.00 C ATOM 958 C TYR A 63 -11.114 -7.255 -5.791 1.00 0.00 C ATOM 959 O TYR A 63 -10.177 -7.810 -5.218 1.00 0.00 O ATOM 960 CB TYR A 63 -10.594 -5.304 -4.332 1.00 0.00 C ATOM 961 CG TYR A 63 -10.872 -3.853 -3.935 1.00 0.00 C ATOM 962 CD1 TYR A 63 -11.156 -2.914 -4.906 1.00 0.00 C ATOM 963 CD2 TYR A 63 -10.839 -3.482 -2.606 1.00 0.00 C ATOM 964 CE1 TYR A 63 -11.417 -1.548 -4.533 1.00 0.00 C ATOM 965 CE2 TYR A 63 -11.101 -2.116 -2.233 1.00 0.00 C ATOM 966 CZ TYR A 63 -11.377 -1.217 -3.215 1.00 0.00 C ATOM 967 OH TYR A 63 -11.624 0.073 -2.862 1.00 0.00 O ATOM 0 H TYR A 63 -12.894 -6.733 -3.920 1.00 0.00 H new ATOM 0 HA TYR A 63 -11.714 -5.255 -6.216 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -10.594 -5.922 -3.434 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -9.594 -5.367 -4.762 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -11.182 -3.204 -5.946 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -10.617 -4.216 -1.846 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -11.639 -0.803 -5.283 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -11.079 -1.813 -1.197 1.00 0.00 H new ATOM 0 HH TYR A 63 -11.562 0.163 -1.888 1.00 0.00 H new ATOM 977 N LYS A 64 -11.772 -7.766 -6.821 1.00 0.00 N ATOM 978 CA LYS A 64 -11.418 -9.066 -7.365 1.00 0.00 C ATOM 979 C LYS A 64 -10.796 -8.882 -8.751 1.00 0.00 C ATOM 980 O LYS A 64 -10.191 -9.807 -9.291 1.00 0.00 O ATOM 981 CB LYS A 64 -12.630 -9.999 -7.354 1.00 0.00 C ATOM 982 CG LYS A 64 -13.728 -9.482 -8.286 1.00 0.00 C ATOM 983 CD LYS A 64 -15.063 -10.170 -7.994 1.00 0.00 C ATOM 984 CE LYS A 64 -16.201 -9.150 -7.919 1.00 0.00 C ATOM 985 NZ LYS A 64 -17.173 -9.534 -6.871 1.00 0.00 N ATOM 0 H LYS A 64 -12.549 -7.303 -7.293 1.00 0.00 H new ATOM 0 HA LYS A 64 -10.667 -9.549 -6.740 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -12.326 -10.999 -7.663 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -13.019 -10.084 -6.339 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -13.836 -8.404 -8.164 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -13.443 -9.659 -9.323 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -15.277 -10.902 -8.773 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -14.997 -10.716 -7.053 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -15.797 -8.161 -7.704 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -16.704 -9.086 -8.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -18.073 -9.807 -7.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -16.798 -10.337 -6.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -17.332 -8.728 -6.233 1.00 0.00 H new ATOM 999 N PHE A 65 -10.965 -7.682 -9.286 1.00 0.00 N ATOM 1000 CA PHE A 65 -10.428 -7.365 -10.598 1.00 0.00 C ATOM 1001 C PHE A 65 -9.833 -5.956 -10.621 1.00 0.00 C ATOM 1002 O PHE A 65 -9.510 -5.432 -11.686 1.00 0.00 O ATOM 1003 CB PHE A 65 -11.594 -7.430 -11.587 1.00 0.00 C ATOM 1004 CG PHE A 65 -12.883 -6.787 -11.071 1.00 0.00 C ATOM 1005 CD1 PHE A 65 -12.938 -5.443 -10.867 1.00 0.00 C ATOM 1006 CD2 PHE A 65 -13.974 -7.558 -10.818 1.00 0.00 C ATOM 1007 CE1 PHE A 65 -14.134 -4.846 -10.389 1.00 0.00 C ATOM 1008 CE2 PHE A 65 -15.170 -6.961 -10.340 1.00 0.00 C ATOM 1009 CZ PHE A 65 -15.225 -5.618 -10.135 1.00 0.00 C ATOM 0 H PHE A 65 -11.467 -6.917 -8.834 1.00 0.00 H new ATOM 0 HA PHE A 65 -9.637 -8.069 -10.856 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -11.299 -6.937 -12.513 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -11.793 -8.474 -11.831 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -12.072 -4.830 -11.069 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -13.931 -8.625 -10.981 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -14.178 -3.779 -10.227 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -16.036 -7.574 -10.139 1.00 0.00 H new ATOM 0 HZ PHE A 65 -16.135 -5.164 -9.771 1.00 0.00 H new ATOM 1019 N ASP A 66 -9.706 -5.382 -9.434 1.00 0.00 N ATOM 1020 CA ASP A 66 -9.155 -4.044 -9.304 1.00 0.00 C ATOM 1021 C ASP A 66 -7.923 -4.089 -8.398 1.00 0.00 C ATOM 1022 O ASP A 66 -7.634 -3.126 -7.689 1.00 0.00 O ATOM 1023 CB ASP A 66 -10.171 -3.089 -8.674 1.00 0.00 C ATOM 1024 CG ASP A 66 -11.635 -3.409 -8.981 1.00 0.00 C ATOM 1025 OD1 ASP A 66 -12.087 -4.484 -8.533 1.00 0.00 O ATOM 1026 OD2 ASP A 66 -12.270 -2.570 -9.657 1.00 0.00 O ATOM 0 H ASP A 66 -9.975 -5.819 -8.553 1.00 0.00 H new ATOM 0 HA ASP A 66 -8.895 -3.688 -10.301 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -10.032 -3.096 -7.593 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -9.956 -2.077 -9.016 1.00 0.00 H new ATOM 1031 N ILE A 67 -7.231 -5.218 -8.449 1.00 0.00 N ATOM 1032 CA ILE A 67 -6.038 -5.401 -7.642 1.00 0.00 C ATOM 1033 C ILE A 67 -4.805 -5.381 -8.548 1.00 0.00 C ATOM 1034 O ILE A 67 -4.921 -5.541 -9.762 1.00 0.00 O ATOM 1035 CB ILE A 67 -6.155 -6.668 -6.792 1.00 0.00 C ATOM 1036 CG1 ILE A 67 -7.133 -7.662 -7.422 1.00 0.00 C ATOM 1037 CG2 ILE A 67 -6.534 -6.328 -5.349 1.00 0.00 C ATOM 1038 CD1 ILE A 67 -7.346 -8.873 -6.511 1.00 0.00 C ATOM 0 H ILE A 67 -7.474 -6.015 -9.037 1.00 0.00 H new ATOM 0 HA ILE A 67 -5.928 -4.579 -6.935 1.00 0.00 H new ATOM 0 HB ILE A 67 -5.178 -7.151 -6.763 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -8.088 -7.170 -7.608 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -6.750 -7.992 -8.388 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -6.610 -7.246 -4.767 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -5.769 -5.685 -4.914 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -7.493 -5.810 -5.337 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -8.045 -9.564 -6.982 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -6.393 -9.377 -6.346 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -7.751 -8.542 -5.555 1.00 0.00 H new ATOM 1050 N PRO A 68 -3.623 -5.178 -7.907 1.00 0.00 N ATOM 1051 CA PRO A 68 -3.575 -4.998 -6.466 1.00 0.00 C ATOM 1052 C PRO A 68 -4.068 -3.605 -6.071 1.00 0.00 C ATOM 1053 O PRO A 68 -3.922 -2.651 -6.834 1.00 0.00 O ATOM 1054 CB PRO A 68 -2.123 -5.244 -6.088 1.00 0.00 C ATOM 1055 CG PRO A 68 -1.326 -5.094 -7.374 1.00 0.00 C ATOM 1056 CD PRO A 68 -2.307 -5.115 -8.535 1.00 0.00 C ATOM 0 HA PRO A 68 -4.233 -5.684 -5.934 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -1.789 -4.529 -5.336 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -1.994 -6.239 -5.662 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -0.762 -4.161 -7.367 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -0.602 -5.903 -7.471 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -2.206 -4.224 -9.155 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -2.136 -5.975 -9.183 1.00 0.00 H new ATOM 1064 N VAL A 69 -4.641 -3.531 -4.879 1.00 0.00 N ATOM 1065 CA VAL A 69 -5.156 -2.270 -4.373 1.00 0.00 C ATOM 1066 C VAL A 69 -4.252 -1.770 -3.245 1.00 0.00 C ATOM 1067 O VAL A 69 -3.617 -2.566 -2.554 1.00 0.00 O ATOM 1068 CB VAL A 69 -6.614 -2.437 -3.941 1.00 0.00 C ATOM 1069 CG1 VAL A 69 -7.120 -1.184 -3.221 1.00 0.00 C ATOM 1070 CG2 VAL A 69 -7.505 -2.779 -5.136 1.00 0.00 C ATOM 0 H VAL A 69 -4.760 -4.324 -4.249 1.00 0.00 H new ATOM 0 HA VAL A 69 -5.147 -1.512 -5.156 1.00 0.00 H new ATOM 0 HB VAL A 69 -6.661 -3.269 -3.239 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -8.159 -1.329 -2.925 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -6.512 -1.003 -2.335 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -7.050 -0.327 -3.890 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -8.536 -2.892 -4.801 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -7.449 -1.978 -5.873 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -7.166 -3.711 -5.588 1.00 0.00 H new ATOM 1080 N PHE A 70 -4.222 -0.454 -3.092 1.00 0.00 N ATOM 1081 CA PHE A 70 -3.405 0.161 -2.060 1.00 0.00 C ATOM 1082 C PHE A 70 -4.163 1.295 -1.365 1.00 0.00 C ATOM 1083 O PHE A 70 -4.612 2.236 -2.017 1.00 0.00 O ATOM 1084 CB PHE A 70 -2.169 0.738 -2.752 1.00 0.00 C ATOM 1085 CG PHE A 70 -1.271 -0.315 -3.403 1.00 0.00 C ATOM 1086 CD1 PHE A 70 -1.488 -0.690 -4.693 1.00 0.00 C ATOM 1087 CD2 PHE A 70 -0.257 -0.877 -2.693 1.00 0.00 C ATOM 1088 CE1 PHE A 70 -0.655 -1.668 -5.297 1.00 0.00 C ATOM 1089 CE2 PHE A 70 0.576 -1.855 -3.298 1.00 0.00 C ATOM 1090 CZ PHE A 70 0.360 -2.230 -4.587 1.00 0.00 C ATOM 0 H PHE A 70 -4.750 0.203 -3.666 1.00 0.00 H new ATOM 0 HA PHE A 70 -3.139 -0.579 -1.305 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -2.490 1.448 -3.514 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -1.585 1.298 -2.022 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -2.294 -0.244 -5.257 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -0.085 -0.580 -1.669 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -0.827 -1.966 -6.321 1.00 0.00 H new ATOM 0 HE2 PHE A 70 1.382 -2.301 -2.734 1.00 0.00 H new ATOM 0 HZ PHE A 70 0.994 -2.974 -5.047 1.00 0.00 H new ATOM 1100 N HIS A 71 -4.280 1.167 -0.052 1.00 0.00 N ATOM 1101 CA HIS A 71 -4.975 2.169 0.738 1.00 0.00 C ATOM 1102 C HIS A 71 -3.986 2.855 1.682 1.00 0.00 C ATOM 1103 O HIS A 71 -3.338 2.197 2.494 1.00 0.00 O ATOM 1104 CB HIS A 71 -6.166 1.551 1.474 1.00 0.00 C ATOM 1105 CG HIS A 71 -7.143 0.838 0.571 1.00 0.00 C ATOM 1106 ND1 HIS A 71 -8.197 0.082 1.055 1.00 0.00 N ATOM 1107 CD2 HIS A 71 -7.216 0.774 -0.789 1.00 0.00 C ATOM 1108 CE1 HIS A 71 -8.867 -0.411 0.023 1.00 0.00 C ATOM 1109 NE2 HIS A 71 -8.257 0.019 -1.119 1.00 0.00 N ATOM 0 H HIS A 71 -3.905 0.385 0.485 1.00 0.00 H new ATOM 0 HA HIS A 71 -5.386 2.934 0.080 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -5.794 0.847 2.218 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -6.694 2.337 2.014 1.00 0.00 H new ATOM 0 HD1 HIS A 71 -8.420 -0.070 2.039 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -6.541 1.256 -1.481 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -9.742 -1.042 0.077 1.00 0.00 H new ATOM 1117 N LEU A 72 -3.901 4.170 1.544 1.00 0.00 N ATOM 1118 CA LEU A 72 -3.001 4.953 2.375 1.00 0.00 C ATOM 1119 C LEU A 72 -3.818 5.747 3.396 1.00 0.00 C ATOM 1120 O LEU A 72 -4.574 6.646 3.028 1.00 0.00 O ATOM 1121 CB LEU A 72 -2.091 5.823 1.506 1.00 0.00 C ATOM 1122 CG LEU A 72 -0.587 5.650 1.728 1.00 0.00 C ATOM 1123 CD1 LEU A 72 0.196 6.810 1.108 1.00 0.00 C ATOM 1124 CD2 LEU A 72 -0.269 5.475 3.214 1.00 0.00 C ATOM 0 H LEU A 72 -4.440 4.713 0.870 1.00 0.00 H new ATOM 0 HA LEU A 72 -2.336 4.298 2.938 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.310 5.612 0.459 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -2.346 6.868 1.680 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.270 4.739 1.221 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.262 6.662 1.280 1.00 0.00 H new ATOM 0 HD12 LEU A 72 0.003 6.847 0.036 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -0.119 7.748 1.566 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.806 5.354 3.344 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -0.604 6.354 3.764 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -0.782 4.592 3.594 1.00 0.00 H new ATOM 1136 N ASN A 73 -3.639 5.387 4.658 1.00 0.00 N ATOM 1137 CA ASN A 73 -4.350 6.054 5.735 1.00 0.00 C ATOM 1138 C ASN A 73 -5.845 5.752 5.618 1.00 0.00 C ATOM 1139 O ASN A 73 -6.666 6.667 5.573 1.00 0.00 O ATOM 1140 CB ASN A 73 -4.168 7.572 5.658 1.00 0.00 C ATOM 1141 CG ASN A 73 -3.179 8.059 6.719 1.00 0.00 C ATOM 1142 OD1 ASN A 73 -3.507 8.225 7.882 1.00 0.00 O ATOM 1143 ND2 ASN A 73 -1.952 8.279 6.254 1.00 0.00 N ATOM 0 H ASN A 73 -3.011 4.641 4.959 1.00 0.00 H new ATOM 0 HA ASN A 73 -3.948 5.689 6.680 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -3.809 7.849 4.667 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -5.130 8.065 5.798 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -1.219 8.607 6.883 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -1.744 8.120 5.268 1.00 0.00 H new ATOM 1150 N GLY A 74 -6.154 4.464 5.572 1.00 0.00 N ATOM 1151 CA GLY A 74 -7.536 4.029 5.461 1.00 0.00 C ATOM 1152 C GLY A 74 -8.249 4.754 4.318 1.00 0.00 C ATOM 1153 O GLY A 74 -9.403 5.156 4.457 1.00 0.00 O ATOM 0 H GLY A 74 -5.471 3.708 5.610 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -7.570 2.953 5.291 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -8.058 4.220 6.399 1.00 0.00 H new ATOM 1157 N GLN A 75 -7.532 4.899 3.213 1.00 0.00 N ATOM 1158 CA GLN A 75 -8.081 5.569 2.047 1.00 0.00 C ATOM 1159 C GLN A 75 -7.354 5.112 0.781 1.00 0.00 C ATOM 1160 O GLN A 75 -6.137 5.255 0.674 1.00 0.00 O ATOM 1161 CB GLN A 75 -8.008 7.089 2.203 1.00 0.00 C ATOM 1162 CG GLN A 75 -9.385 7.674 2.526 1.00 0.00 C ATOM 1163 CD GLN A 75 -9.408 9.185 2.290 1.00 0.00 C ATOM 1164 OE1 GLN A 75 -9.055 9.979 3.146 1.00 0.00 O ATOM 1165 NE2 GLN A 75 -9.842 9.537 1.083 1.00 0.00 N ATOM 0 H GLN A 75 -6.575 4.564 3.101 1.00 0.00 H new ATOM 0 HA GLN A 75 -9.132 5.296 1.957 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -7.306 7.343 2.997 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -7.626 7.535 1.284 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -10.142 7.194 1.906 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -9.640 7.461 3.564 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -10.122 8.821 0.413 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -9.894 10.523 0.827 1.00 0.00 H new ATOM 1174 N PHE A 76 -8.130 4.571 -0.147 1.00 0.00 N ATOM 1175 CA PHE A 76 -7.575 4.092 -1.401 1.00 0.00 C ATOM 1176 C PHE A 76 -6.568 5.092 -1.972 1.00 0.00 C ATOM 1177 O PHE A 76 -6.911 6.243 -2.236 1.00 0.00 O ATOM 1178 CB PHE A 76 -8.742 3.947 -2.380 1.00 0.00 C ATOM 1179 CG PHE A 76 -8.422 4.411 -3.803 1.00 0.00 C ATOM 1180 CD1 PHE A 76 -7.653 3.636 -4.613 1.00 0.00 C ATOM 1181 CD2 PHE A 76 -8.908 5.597 -4.256 1.00 0.00 C ATOM 1182 CE1 PHE A 76 -7.356 4.066 -5.934 1.00 0.00 C ATOM 1183 CE2 PHE A 76 -8.611 6.028 -5.577 1.00 0.00 C ATOM 1184 CZ PHE A 76 -7.842 5.253 -6.387 1.00 0.00 C ATOM 0 H PHE A 76 -9.139 4.454 -0.055 1.00 0.00 H new ATOM 0 HA PHE A 76 -7.057 3.146 -1.242 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -9.050 2.902 -2.410 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -9.591 4.519 -2.005 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -7.268 2.694 -4.252 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -9.520 6.211 -3.612 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -6.745 3.451 -6.578 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -8.996 6.971 -5.937 1.00 0.00 H new ATOM 0 HZ PHE A 76 -7.617 5.580 -7.391 1.00 0.00 H new ATOM 1194 N LEU A 77 -5.344 4.615 -2.146 1.00 0.00 N ATOM 1195 CA LEU A 77 -4.283 5.453 -2.680 1.00 0.00 C ATOM 1196 C LEU A 77 -4.129 5.179 -4.178 1.00 0.00 C ATOM 1197 O LEU A 77 -3.970 6.107 -4.969 1.00 0.00 O ATOM 1198 CB LEU A 77 -2.992 5.257 -1.883 1.00 0.00 C ATOM 1199 CG LEU A 77 -1.764 4.832 -2.690 1.00 0.00 C ATOM 1200 CD1 LEU A 77 -1.163 6.022 -3.442 1.00 0.00 C ATOM 1201 CD2 LEU A 77 -0.733 4.140 -1.796 1.00 0.00 C ATOM 0 H LEU A 77 -5.063 3.659 -1.927 1.00 0.00 H new ATOM 0 HA LEU A 77 -4.539 6.507 -2.572 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.760 6.190 -1.370 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.174 4.507 -1.113 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.082 4.105 -3.438 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.291 5.692 -4.008 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.906 6.433 -4.126 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.863 6.790 -2.728 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.130 3.848 -2.394 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -0.415 4.825 -1.010 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.179 3.253 -1.346 1.00 0.00 H new ATOM 1213 N MET A 78 -4.182 3.901 -4.522 1.00 0.00 N ATOM 1214 CA MET A 78 -4.050 3.493 -5.910 1.00 0.00 C ATOM 1215 C MET A 78 -4.232 1.981 -6.057 1.00 0.00 C ATOM 1216 O MET A 78 -3.919 1.223 -5.141 1.00 0.00 O ATOM 1217 CB MET A 78 -2.669 3.895 -6.431 1.00 0.00 C ATOM 1218 CG MET A 78 -1.585 2.961 -5.889 1.00 0.00 C ATOM 1219 SD MET A 78 0.021 3.718 -6.071 1.00 0.00 S ATOM 1220 CE MET A 78 0.952 2.758 -4.890 1.00 0.00 C ATOM 0 H MET A 78 -4.315 3.134 -3.863 1.00 0.00 H new ATOM 0 HA MET A 78 -4.826 3.991 -6.491 1.00 0.00 H new ATOM 0 HB2 MET A 78 -2.666 3.868 -7.521 1.00 0.00 H new ATOM 0 HB3 MET A 78 -2.450 4.921 -6.137 1.00 0.00 H new ATOM 0 HG2 MET A 78 -1.775 2.741 -4.839 1.00 0.00 H new ATOM 0 HG3 MET A 78 -1.611 2.011 -6.424 1.00 0.00 H new ATOM 0 HE1 MET A 78 2.017 2.853 -5.103 1.00 0.00 H new ATOM 0 HE2 MET A 78 0.749 3.124 -3.883 1.00 0.00 H new ATOM 0 HE3 MET A 78 0.659 1.710 -4.961 1.00 0.00 H new ATOM 1230 N MET A 79 -4.736 1.588 -7.218 1.00 0.00 N ATOM 1231 CA MET A 79 -4.963 0.180 -7.496 1.00 0.00 C ATOM 1232 C MET A 79 -4.694 -0.137 -8.969 1.00 0.00 C ATOM 1233 O MET A 79 -4.714 0.756 -9.814 1.00 0.00 O ATOM 1234 CB MET A 79 -6.409 -0.182 -7.151 1.00 0.00 C ATOM 1235 CG MET A 79 -7.392 0.762 -7.847 1.00 0.00 C ATOM 1236 SD MET A 79 -9.066 0.206 -7.576 1.00 0.00 S ATOM 1237 CE MET A 79 -9.846 1.760 -7.171 1.00 0.00 C ATOM 0 H MET A 79 -4.993 2.220 -7.976 1.00 0.00 H new ATOM 0 HA MET A 79 -4.277 -0.408 -6.886 1.00 0.00 H new ATOM 0 HB2 MET A 79 -6.612 -1.210 -7.451 1.00 0.00 H new ATOM 0 HB3 MET A 79 -6.553 -0.131 -6.072 1.00 0.00 H new ATOM 0 HG2 MET A 79 -7.270 1.775 -7.464 1.00 0.00 H new ATOM 0 HG3 MET A 79 -7.180 0.798 -8.916 1.00 0.00 H new ATOM 0 HE1 MET A 79 -10.929 1.646 -7.215 1.00 0.00 H new ATOM 0 HE2 MET A 79 -9.553 2.063 -6.166 1.00 0.00 H new ATOM 0 HE3 MET A 79 -9.532 2.522 -7.885 1.00 0.00 H new ATOM 1247 N HIS A 80 -4.449 -1.413 -9.231 1.00 0.00 N ATOM 1248 CA HIS A 80 -4.177 -1.859 -10.587 1.00 0.00 C ATOM 1249 C HIS A 80 -2.679 -1.746 -10.873 1.00 0.00 C ATOM 1250 O HIS A 80 -2.248 -1.902 -12.015 1.00 0.00 O ATOM 1251 CB HIS A 80 -5.033 -1.090 -11.594 1.00 0.00 C ATOM 1252 CG HIS A 80 -6.445 -0.828 -11.127 1.00 0.00 C ATOM 1253 ND1 HIS A 80 -7.235 0.179 -11.655 1.00 0.00 N ATOM 1254 CD2 HIS A 80 -7.200 -1.452 -10.178 1.00 0.00 C ATOM 1255 CE1 HIS A 80 -8.410 0.153 -11.043 1.00 0.00 C ATOM 1256 NE2 HIS A 80 -8.386 -0.858 -10.128 1.00 0.00 N ATOM 0 H HIS A 80 -4.433 -2.151 -8.528 1.00 0.00 H new ATOM 0 HA HIS A 80 -4.453 -2.908 -10.691 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -4.551 -0.137 -11.812 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -5.068 -1.651 -12.528 1.00 0.00 H new ATOM 0 HD1 HIS A 80 -6.959 0.830 -12.390 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -6.886 -2.288 -9.570 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -9.241 0.816 -11.235 1.00 0.00 H new ATOM 1264 N ARG A 81 -1.926 -1.475 -9.817 1.00 0.00 N ATOM 1265 CA ARG A 81 -0.484 -1.338 -9.941 1.00 0.00 C ATOM 1266 C ARG A 81 0.081 -0.572 -8.743 1.00 0.00 C ATOM 1267 O ARG A 81 -0.628 -0.324 -7.770 1.00 0.00 O ATOM 1268 CB ARG A 81 -0.109 -0.605 -11.230 1.00 0.00 C ATOM 1269 CG ARG A 81 0.454 -1.576 -12.269 1.00 0.00 C ATOM 1270 CD ARG A 81 0.098 -1.129 -13.688 1.00 0.00 C ATOM 1271 NE ARG A 81 0.468 -2.182 -14.660 1.00 0.00 N ATOM 1272 CZ ARG A 81 1.697 -2.334 -15.171 1.00 0.00 C ATOM 1273 NH1 ARG A 81 2.682 -1.500 -14.808 1.00 0.00 N ATOM 1274 NH2 ARG A 81 1.942 -3.318 -16.047 1.00 0.00 N ATOM 0 H ARG A 81 -2.287 -1.347 -8.872 1.00 0.00 H new ATOM 0 HA ARG A 81 -0.057 -2.340 -9.970 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -0.987 -0.102 -11.635 1.00 0.00 H new ATOM 0 HB3 ARG A 81 0.628 0.168 -11.012 1.00 0.00 H new ATOM 0 HG2 ARG A 81 1.537 -1.638 -12.165 1.00 0.00 H new ATOM 0 HG3 ARG A 81 0.059 -2.576 -12.089 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -0.970 -0.920 -13.755 1.00 0.00 H new ATOM 0 HD3 ARG A 81 0.620 -0.202 -13.928 1.00 0.00 H new ATOM 0 HE ARG A 81 -0.258 -2.833 -14.960 1.00 0.00 H new ATOM 0 HH11 ARG A 81 2.496 -0.750 -14.143 1.00 0.00 H new ATOM 0 HH12 ARG A 81 3.618 -1.616 -15.197 1.00 0.00 H new ATOM 0 HH21 ARG A 81 1.193 -3.952 -16.325 1.00 0.00 H new ATOM 0 HH22 ARG A 81 2.878 -3.433 -16.436 1.00 0.00 H new ATOM 1288 N VAL A 82 1.353 -0.219 -8.855 1.00 0.00 N ATOM 1289 CA VAL A 82 2.022 0.514 -7.793 1.00 0.00 C ATOM 1290 C VAL A 82 2.674 1.768 -8.378 1.00 0.00 C ATOM 1291 O VAL A 82 3.866 1.768 -8.683 1.00 0.00 O ATOM 1292 CB VAL A 82 3.018 -0.399 -7.075 1.00 0.00 C ATOM 1293 CG1 VAL A 82 3.756 0.358 -5.968 1.00 0.00 C ATOM 1294 CG2 VAL A 82 2.321 -1.642 -6.518 1.00 0.00 C ATOM 0 H VAL A 82 1.938 -0.427 -9.664 1.00 0.00 H new ATOM 0 HA VAL A 82 1.303 0.842 -7.042 1.00 0.00 H new ATOM 0 HB VAL A 82 3.756 -0.729 -7.806 1.00 0.00 H new ATOM 0 HG11 VAL A 82 4.458 -0.314 -5.473 1.00 0.00 H new ATOM 0 HG12 VAL A 82 4.301 1.197 -6.402 1.00 0.00 H new ATOM 0 HG13 VAL A 82 3.036 0.731 -5.240 1.00 0.00 H new ATOM 0 HG21 VAL A 82 3.052 -2.273 -6.013 1.00 0.00 H new ATOM 0 HG22 VAL A 82 1.551 -1.340 -5.809 1.00 0.00 H new ATOM 0 HG23 VAL A 82 1.863 -2.199 -7.335 1.00 0.00 H new ATOM 1304 N ASN A 83 1.864 2.807 -8.516 1.00 0.00 N ATOM 1305 CA ASN A 83 2.348 4.066 -9.059 1.00 0.00 C ATOM 1306 C ASN A 83 3.208 4.772 -8.009 1.00 0.00 C ATOM 1307 O ASN A 83 2.773 5.746 -7.398 1.00 0.00 O ATOM 1308 CB ASN A 83 1.185 4.993 -9.419 1.00 0.00 C ATOM 1309 CG ASN A 83 0.432 4.477 -10.647 1.00 0.00 C ATOM 1310 OD1 ASN A 83 1.001 4.231 -11.698 1.00 0.00 O ATOM 1311 ND2 ASN A 83 -0.876 4.327 -10.456 1.00 0.00 N ATOM 0 H ASN A 83 0.876 2.804 -8.262 1.00 0.00 H new ATOM 0 HA ASN A 83 2.926 3.847 -9.957 1.00 0.00 H new ATOM 0 HB2 ASN A 83 0.501 5.069 -8.574 1.00 0.00 H new ATOM 0 HB3 ASN A 83 1.562 5.997 -9.615 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -1.467 3.987 -11.215 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -1.288 4.552 -9.550 1.00 0.00 H new ATOM 1318 N THR A 84 4.414 4.253 -7.833 1.00 0.00 N ATOM 1319 CA THR A 84 5.340 4.821 -6.868 1.00 0.00 C ATOM 1320 C THR A 84 5.201 6.345 -6.829 1.00 0.00 C ATOM 1321 O THR A 84 4.965 6.923 -5.770 1.00 0.00 O ATOM 1322 CB THR A 84 6.749 4.349 -7.229 1.00 0.00 C ATOM 1323 OG1 THR A 84 6.904 4.730 -8.593 1.00 0.00 O ATOM 1324 CG2 THR A 84 6.867 2.823 -7.253 1.00 0.00 C ATOM 0 H THR A 84 4.772 3.445 -8.343 1.00 0.00 H new ATOM 0 HA THR A 84 5.117 4.479 -5.857 1.00 0.00 H new ATOM 0 HB THR A 84 7.463 4.757 -6.514 1.00 0.00 H new ATOM 0 HG1 THR A 84 7.793 4.463 -8.908 1.00 0.00 H new ATOM 0 HG21 THR A 84 7.887 2.541 -7.515 1.00 0.00 H new ATOM 0 HG22 THR A 84 6.621 2.424 -6.269 1.00 0.00 H new ATOM 0 HG23 THR A 84 6.177 2.416 -7.992 1.00 0.00 H new ATOM 1332 N SER A 85 5.353 6.950 -7.998 1.00 0.00 N ATOM 1333 CA SER A 85 5.247 8.395 -8.111 1.00 0.00 C ATOM 1334 C SER A 85 4.129 8.911 -7.204 1.00 0.00 C ATOM 1335 O SER A 85 4.319 9.874 -6.463 1.00 0.00 O ATOM 1336 CB SER A 85 4.993 8.817 -9.559 1.00 0.00 C ATOM 1337 OG SER A 85 6.035 9.648 -10.064 1.00 0.00 O ATOM 0 H SER A 85 5.549 6.466 -8.875 1.00 0.00 H new ATOM 0 HA SER A 85 6.194 8.833 -7.794 1.00 0.00 H new ATOM 0 HB2 SER A 85 4.902 7.929 -10.185 1.00 0.00 H new ATOM 0 HB3 SER A 85 4.043 9.349 -9.620 1.00 0.00 H new ATOM 0 HG SER A 85 5.836 9.894 -10.991 1.00 0.00 H new ATOM 1343 N LYS A 86 2.986 8.246 -7.291 1.00 0.00 N ATOM 1344 CA LYS A 86 1.836 8.625 -6.487 1.00 0.00 C ATOM 1345 C LYS A 86 2.143 8.365 -5.011 1.00 0.00 C ATOM 1346 O LYS A 86 2.141 9.291 -4.201 1.00 0.00 O ATOM 1347 CB LYS A 86 0.576 7.917 -6.987 1.00 0.00 C ATOM 1348 CG LYS A 86 -0.602 8.890 -7.075 1.00 0.00 C ATOM 1349 CD LYS A 86 -1.319 8.763 -8.421 1.00 0.00 C ATOM 1350 CE LYS A 86 -2.421 7.703 -8.357 1.00 0.00 C ATOM 1351 NZ LYS A 86 -2.263 6.724 -9.455 1.00 0.00 N ATOM 0 H LYS A 86 2.832 7.447 -7.906 1.00 0.00 H new ATOM 0 HA LYS A 86 1.635 9.692 -6.588 1.00 0.00 H new ATOM 0 HB2 LYS A 86 0.765 7.480 -7.967 1.00 0.00 H new ATOM 0 HB3 LYS A 86 0.325 7.096 -6.315 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -1.304 8.691 -6.265 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -0.245 9.912 -6.944 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -1.750 9.725 -8.700 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -0.600 8.499 -9.197 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -2.385 7.190 -7.396 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -3.398 8.181 -8.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -2.734 5.834 -9.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -2.692 7.104 -10.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -1.251 6.546 -9.618 1.00 0.00 H new ATOM 1365 N LEU A 87 2.400 7.102 -4.707 1.00 0.00 N ATOM 1366 CA LEU A 87 2.708 6.708 -3.342 1.00 0.00 C ATOM 1367 C LEU A 87 3.652 7.739 -2.720 1.00 0.00 C ATOM 1368 O LEU A 87 3.280 8.440 -1.781 1.00 0.00 O ATOM 1369 CB LEU A 87 3.249 5.278 -3.307 1.00 0.00 C ATOM 1370 CG LEU A 87 4.061 4.899 -2.066 1.00 0.00 C ATOM 1371 CD1 LEU A 87 3.212 5.015 -0.799 1.00 0.00 C ATOM 1372 CD2 LEU A 87 4.676 3.506 -2.218 1.00 0.00 C ATOM 0 H LEU A 87 2.401 6.337 -5.382 1.00 0.00 H new ATOM 0 HA LEU A 87 1.803 6.696 -2.734 1.00 0.00 H new ATOM 0 HB2 LEU A 87 2.408 4.590 -3.391 1.00 0.00 H new ATOM 0 HB3 LEU A 87 3.874 5.125 -4.187 1.00 0.00 H new ATOM 0 HG LEU A 87 4.885 5.606 -1.968 1.00 0.00 H new ATOM 0 HD11 LEU A 87 3.813 4.740 0.068 1.00 0.00 H new ATOM 0 HD12 LEU A 87 2.863 6.042 -0.688 1.00 0.00 H new ATOM 0 HD13 LEU A 87 2.355 4.346 -0.873 1.00 0.00 H new ATOM 0 HD21 LEU A 87 5.248 3.261 -1.323 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.883 2.771 -2.354 1.00 0.00 H new ATOM 0 HD23 LEU A 87 5.336 3.492 -3.085 1.00 0.00 H new ATOM 1384 N GLU A 88 4.857 7.797 -3.269 1.00 0.00 N ATOM 1385 CA GLU A 88 5.858 8.730 -2.779 1.00 0.00 C ATOM 1386 C GLU A 88 5.232 10.107 -2.549 1.00 0.00 C ATOM 1387 O GLU A 88 5.324 10.659 -1.454 1.00 0.00 O ATOM 1388 CB GLU A 88 7.042 8.820 -3.744 1.00 0.00 C ATOM 1389 CG GLU A 88 7.485 7.429 -4.200 1.00 0.00 C ATOM 1390 CD GLU A 88 9.011 7.334 -4.266 1.00 0.00 C ATOM 1391 OE1 GLU A 88 9.641 7.584 -3.216 1.00 0.00 O ATOM 1392 OE2 GLU A 88 9.512 7.012 -5.365 1.00 0.00 O ATOM 0 H GLU A 88 5.162 7.213 -4.048 1.00 0.00 H new ATOM 0 HA GLU A 88 6.236 8.360 -1.826 1.00 0.00 H new ATOM 0 HB2 GLU A 88 6.764 9.419 -4.611 1.00 0.00 H new ATOM 0 HB3 GLU A 88 7.874 9.329 -3.258 1.00 0.00 H new ATOM 0 HG2 GLU A 88 7.100 6.677 -3.512 1.00 0.00 H new ATOM 0 HG3 GLU A 88 7.061 7.211 -5.180 1.00 0.00 H new ATOM 1399 N LYS A 89 4.610 10.622 -3.599 1.00 0.00 N ATOM 1400 CA LYS A 89 3.969 11.924 -3.525 1.00 0.00 C ATOM 1401 C LYS A 89 3.124 12.000 -2.251 1.00 0.00 C ATOM 1402 O LYS A 89 3.121 13.021 -1.565 1.00 0.00 O ATOM 1403 CB LYS A 89 3.179 12.206 -4.805 1.00 0.00 C ATOM 1404 CG LYS A 89 2.925 13.706 -4.973 1.00 0.00 C ATOM 1405 CD LYS A 89 1.671 14.138 -4.212 1.00 0.00 C ATOM 1406 CE LYS A 89 1.430 15.642 -4.361 1.00 0.00 C ATOM 1407 NZ LYS A 89 1.463 16.305 -3.038 1.00 0.00 N ATOM 0 H LYS A 89 4.536 10.161 -4.506 1.00 0.00 H new ATOM 0 HA LYS A 89 4.717 12.714 -3.459 1.00 0.00 H new ATOM 0 HB2 LYS A 89 3.729 11.828 -5.667 1.00 0.00 H new ATOM 0 HB3 LYS A 89 2.228 11.674 -4.775 1.00 0.00 H new ATOM 0 HG2 LYS A 89 3.786 14.267 -4.610 1.00 0.00 H new ATOM 0 HG3 LYS A 89 2.813 13.943 -6.031 1.00 0.00 H new ATOM 0 HD2 LYS A 89 0.807 13.589 -4.586 1.00 0.00 H new ATOM 0 HD3 LYS A 89 1.777 13.886 -3.157 1.00 0.00 H new ATOM 0 HE2 LYS A 89 2.190 16.076 -5.011 1.00 0.00 H new ATOM 0 HE3 LYS A 89 0.466 15.816 -4.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 1.298 17.325 -3.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 0.722 15.903 -2.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 2.393 16.154 -2.597 1.00 0.00 H new ATOM 1421 N GLN A 90 2.428 10.907 -1.975 1.00 0.00 N ATOM 1422 CA GLN A 90 1.581 10.838 -0.796 1.00 0.00 C ATOM 1423 C GLN A 90 2.437 10.810 0.471 1.00 0.00 C ATOM 1424 O GLN A 90 2.297 11.671 1.338 1.00 0.00 O ATOM 1425 CB GLN A 90 0.654 9.622 -0.858 1.00 0.00 C ATOM 1426 CG GLN A 90 -0.366 9.768 -1.989 1.00 0.00 C ATOM 1427 CD GLN A 90 -1.201 11.039 -1.814 1.00 0.00 C ATOM 1428 OE1 GLN A 90 -2.194 11.068 -1.107 1.00 0.00 O ATOM 1429 NE2 GLN A 90 -0.742 12.085 -2.496 1.00 0.00 N ATOM 0 H GLN A 90 2.433 10.062 -2.547 1.00 0.00 H new ATOM 0 HA GLN A 90 0.955 11.730 -0.769 1.00 0.00 H new ATOM 0 HB2 GLN A 90 1.244 8.718 -1.010 1.00 0.00 H new ATOM 0 HB3 GLN A 90 0.134 9.508 0.093 1.00 0.00 H new ATOM 0 HG2 GLN A 90 0.151 9.797 -2.948 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -1.022 8.897 -2.007 1.00 0.00 H new ATOM 0 HE21 GLN A 90 0.096 11.992 -3.070 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -1.228 12.980 -2.445 1.00 0.00 H new ATOM 1438 N LEU A 91 3.306 9.812 0.539 1.00 0.00 N ATOM 1439 CA LEU A 91 4.184 9.661 1.686 1.00 0.00 C ATOM 1440 C LEU A 91 4.640 11.042 2.159 1.00 0.00 C ATOM 1441 O LEU A 91 4.425 11.409 3.313 1.00 0.00 O ATOM 1442 CB LEU A 91 5.339 8.712 1.356 1.00 0.00 C ATOM 1443 CG LEU A 91 5.007 7.219 1.379 1.00 0.00 C ATOM 1444 CD1 LEU A 91 5.994 6.424 0.522 1.00 0.00 C ATOM 1445 CD2 LEU A 91 4.943 6.693 2.815 1.00 0.00 C ATOM 0 H LEU A 91 3.420 9.100 -0.182 1.00 0.00 H new ATOM 0 HA LEU A 91 3.650 9.199 2.516 1.00 0.00 H new ATOM 0 HB2 LEU A 91 5.719 8.964 0.366 1.00 0.00 H new ATOM 0 HB3 LEU A 91 6.147 8.895 2.064 1.00 0.00 H new ATOM 0 HG LEU A 91 4.018 7.083 0.941 1.00 0.00 H new ATOM 0 HD11 LEU A 91 5.735 5.366 0.556 1.00 0.00 H new ATOM 0 HD12 LEU A 91 5.947 6.776 -0.508 1.00 0.00 H new ATOM 0 HD13 LEU A 91 7.004 6.563 0.907 1.00 0.00 H new ATOM 0 HD21 LEU A 91 4.705 5.629 2.803 1.00 0.00 H new ATOM 0 HD22 LEU A 91 5.907 6.844 3.301 1.00 0.00 H new ATOM 0 HD23 LEU A 91 4.171 7.231 3.365 1.00 0.00 H new