USER MOD reduce.3.24.130724 H: found=0, std=0, add=524, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 443 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 32 THR OG1 : rot 139:sc= -2.26 USER MOD Set 1.2: A 44 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 22 SER OG : rot 43:sc= -1.79! USER MOD Set 2.2: A 48 MET CE :methyl 177:sc= -4.39! (180deg=-4.41!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.0352 USER MOD Single : A 30 GLN : amide:sc= -0.0864 K(o=-0.086,f=-1.7!) USER MOD Single : A 31 TYR OH : rot -55:sc= 0.439 USER MOD Single : A 38 HIS : no HD1:sc= -0.574 X(o=-0.57,f=-0.26) USER MOD Single : A 43 SER OG : rot -170:sc= -0.149 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot -52:sc= 0.272 USER MOD Single : A 58 ASN : amide:sc= -0.138 K(o=-0.14,f=-1.8!) USER MOD Single : A 60 GLN : amide:sc= -0.0605 K(o=-0.061,f=-1.8!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 214 N VAL A 19 -6.171 5.094 1.236 1.00 0.00 N ATOM 215 CA VAL A 19 -6.620 3.774 0.828 1.00 0.00 C ATOM 216 C VAL A 19 -5.789 3.304 -0.368 1.00 0.00 C ATOM 217 O VAL A 19 -5.890 3.865 -1.458 1.00 0.00 O ATOM 218 CB VAL A 19 -8.122 3.798 0.539 1.00 0.00 C ATOM 219 CG1 VAL A 19 -8.449 4.790 -0.581 1.00 0.00 C ATOM 220 CG2 VAL A 19 -8.638 2.398 0.202 1.00 0.00 C ATOM 0 HA VAL A 19 -6.469 3.054 1.632 1.00 0.00 H new ATOM 0 HB VAL A 19 -8.632 4.133 1.442 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -9.523 4.788 -0.767 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -8.134 5.790 -0.284 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -7.923 4.499 -1.490 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -9.708 2.443 0.001 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -8.119 2.021 -0.679 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -8.455 1.730 1.044 1.00 0.00 H new ATOM 230 N LEU A 20 -4.986 2.279 -0.123 1.00 0.00 N ATOM 231 CA LEU A 20 -4.138 1.726 -1.166 1.00 0.00 C ATOM 232 C LEU A 20 -4.977 0.826 -2.075 1.00 0.00 C ATOM 233 O LEU A 20 -5.099 -0.372 -1.825 1.00 0.00 O ATOM 234 CB LEU A 20 -2.924 1.025 -0.554 1.00 0.00 C ATOM 235 CG LEU A 20 -2.016 1.893 0.319 1.00 0.00 C ATOM 236 CD1 LEU A 20 -1.130 1.028 1.219 1.00 0.00 C ATOM 237 CD2 LEU A 20 -1.194 2.859 -0.536 1.00 0.00 C ATOM 0 H LEU A 20 -4.905 1.817 0.783 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.734 2.522 -1.791 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.278 0.187 0.046 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.325 0.607 -1.363 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.646 2.497 0.972 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.494 1.670 1.829 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.757 0.416 1.868 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.507 0.381 0.602 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.557 3.464 0.109 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.573 2.293 -1.230 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.865 3.510 -1.097 1.00 0.00 H new ATOM 248 N ARG A 21 -5.532 1.438 -3.111 1.00 0.00 N ATOM 249 CA ARG A 21 -6.355 0.706 -4.059 1.00 0.00 C ATOM 250 C ARG A 21 -5.473 -0.036 -5.065 1.00 0.00 C ATOM 251 O ARG A 21 -4.299 0.294 -5.230 1.00 0.00 O ATOM 252 CB ARG A 21 -7.296 1.647 -4.813 1.00 0.00 C ATOM 253 CG ARG A 21 -8.615 1.822 -4.057 1.00 0.00 C ATOM 254 CD ARG A 21 -9.434 2.973 -4.645 1.00 0.00 C ATOM 255 NE ARG A 21 -10.377 3.494 -3.630 1.00 0.00 N ATOM 256 CZ ARG A 21 -11.590 2.976 -3.397 1.00 0.00 C ATOM 257 NH1 ARG A 21 -12.016 1.921 -4.103 1.00 0.00 N ATOM 258 NH2 ARG A 21 -12.378 3.512 -2.455 1.00 0.00 N ATOM 0 H ARG A 21 -5.428 2.432 -3.315 1.00 0.00 H new ATOM 0 HA ARG A 21 -6.952 -0.011 -3.495 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -6.817 2.617 -4.946 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -7.493 1.250 -5.809 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -9.192 0.898 -4.106 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -8.412 2.016 -3.004 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -8.769 3.770 -4.979 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -9.984 2.629 -5.521 1.00 0.00 H new ATOM 0 HE ARG A 21 -10.085 4.297 -3.073 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -11.417 1.511 -4.819 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -12.940 1.527 -3.925 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -12.054 4.315 -1.915 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -13.302 3.117 -2.278 1.00 0.00 H new ATOM 269 N SER A 22 -6.072 -1.023 -5.714 1.00 0.00 N ATOM 270 CA SER A 22 -5.356 -1.815 -6.700 1.00 0.00 C ATOM 271 C SER A 22 -5.295 -1.062 -8.031 1.00 0.00 C ATOM 272 O SER A 22 -6.329 -0.755 -8.623 1.00 0.00 O ATOM 273 CB SER A 22 -6.015 -3.182 -6.894 1.00 0.00 C ATOM 274 OG SER A 22 -5.549 -3.838 -8.071 1.00 0.00 O ATOM 0 H SER A 22 -7.046 -1.293 -5.576 1.00 0.00 H new ATOM 0 HA SER A 22 -4.342 -1.980 -6.335 1.00 0.00 H new ATOM 0 HB2 SER A 22 -5.812 -3.809 -6.025 1.00 0.00 H new ATOM 0 HB3 SER A 22 -7.096 -3.058 -6.952 1.00 0.00 H new ATOM 0 HG SER A 22 -4.577 -3.731 -8.142 1.00 0.00 H new ATOM 279 N PRO A 23 -4.041 -0.778 -8.475 1.00 0.00 N ATOM 280 CA PRO A 23 -3.832 -0.068 -9.725 1.00 0.00 C ATOM 281 C PRO A 23 -4.087 -0.981 -10.924 1.00 0.00 C ATOM 282 O PRO A 23 -4.249 -0.507 -12.047 1.00 0.00 O ATOM 283 CB PRO A 23 -2.400 0.436 -9.655 1.00 0.00 C ATOM 284 CG PRO A 23 -1.715 -0.401 -8.587 1.00 0.00 C ATOM 285 CD PRO A 23 -2.794 -1.127 -7.800 1.00 0.00 C ATOM 0 HA PRO A 23 -4.526 0.761 -9.859 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -1.900 0.326 -10.617 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -2.371 1.495 -9.399 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -1.030 -1.115 -9.043 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -1.122 0.233 -7.927 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -2.630 -2.205 -7.803 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -2.805 -0.810 -6.757 1.00 0.00 H new ATOM 290 N SER A 24 -4.115 -2.276 -10.646 1.00 0.00 N ATOM 291 CA SER A 24 -4.348 -3.261 -11.689 1.00 0.00 C ATOM 292 C SER A 24 -4.742 -4.602 -11.065 1.00 0.00 C ATOM 293 O SER A 24 -4.414 -4.872 -9.911 1.00 0.00 O ATOM 294 CB SER A 24 -3.111 -3.431 -12.573 1.00 0.00 C ATOM 295 OG SER A 24 -3.455 -3.702 -13.928 1.00 0.00 O ATOM 0 H SER A 24 -3.980 -2.666 -9.713 1.00 0.00 H new ATOM 0 HA SER A 24 -5.165 -2.906 -12.317 1.00 0.00 H new ATOM 0 HB2 SER A 24 -2.506 -2.526 -12.527 1.00 0.00 H new ATOM 0 HB3 SER A 24 -2.498 -4.244 -12.185 1.00 0.00 H new ATOM 0 HG SER A 24 -2.638 -3.802 -14.459 1.00 0.00 H new ATOM 300 N ALA A 25 -5.439 -5.404 -11.855 1.00 0.00 N ATOM 301 CA ALA A 25 -5.881 -6.709 -11.395 1.00 0.00 C ATOM 302 C ALA A 25 -4.661 -7.565 -11.052 1.00 0.00 C ATOM 303 O ALA A 25 -3.534 -7.215 -11.404 1.00 0.00 O ATOM 304 CB ALA A 25 -6.765 -7.356 -12.463 1.00 0.00 C ATOM 0 H ALA A 25 -5.709 -5.175 -12.812 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.481 -6.613 -10.490 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -7.096 -8.335 -12.117 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -7.633 -6.724 -12.648 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -6.196 -7.471 -13.386 1.00 0.00 H new ATOM 310 N GLY A 26 -4.924 -8.670 -10.369 1.00 0.00 N ATOM 311 CA GLY A 26 -3.860 -9.578 -9.975 1.00 0.00 C ATOM 312 C GLY A 26 -4.359 -10.591 -8.943 1.00 0.00 C ATOM 313 O GLY A 26 -5.545 -10.917 -8.911 1.00 0.00 O ATOM 0 H GLY A 26 -5.859 -8.957 -10.078 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -3.482 -10.103 -10.852 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -3.027 -9.010 -9.560 1.00 0.00 H new ATOM 317 N LYS A 27 -3.429 -11.062 -8.126 1.00 0.00 N ATOM 318 CA LYS A 27 -3.760 -12.032 -7.095 1.00 0.00 C ATOM 319 C LYS A 27 -2.843 -11.820 -5.889 1.00 0.00 C ATOM 320 O LYS A 27 -1.650 -12.113 -5.952 1.00 0.00 O ATOM 321 CB LYS A 27 -3.712 -13.453 -7.662 1.00 0.00 C ATOM 322 CG LYS A 27 -4.299 -14.459 -6.670 1.00 0.00 C ATOM 323 CD LYS A 27 -4.579 -15.799 -7.351 1.00 0.00 C ATOM 324 CE LYS A 27 -5.897 -16.401 -6.856 1.00 0.00 C ATOM 325 NZ LYS A 27 -5.761 -17.863 -6.669 1.00 0.00 N ATOM 0 H LYS A 27 -2.446 -10.790 -8.157 1.00 0.00 H new ATOM 0 HA LYS A 27 -4.783 -11.886 -6.748 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -4.268 -13.494 -8.599 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -2.681 -13.722 -7.891 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.606 -14.606 -5.842 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -5.222 -14.062 -6.247 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -4.621 -15.660 -8.431 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.761 -16.491 -7.150 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -6.186 -15.933 -5.915 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -6.691 -16.192 -7.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -6.664 -18.255 -6.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -5.506 -18.307 -7.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -5.017 -18.056 -5.968 1.00 0.00 H new ATOM 335 N LEU A 28 -3.435 -11.313 -4.818 1.00 0.00 N ATOM 336 CA LEU A 28 -2.687 -11.058 -3.599 1.00 0.00 C ATOM 337 C LEU A 28 -1.923 -12.323 -3.202 1.00 0.00 C ATOM 338 O LEU A 28 -2.368 -13.435 -3.480 1.00 0.00 O ATOM 339 CB LEU A 28 -3.614 -10.531 -2.502 1.00 0.00 C ATOM 340 CG LEU A 28 -2.945 -9.714 -1.394 1.00 0.00 C ATOM 341 CD1 LEU A 28 -2.210 -8.504 -1.973 1.00 0.00 C ATOM 342 CD2 LEU A 28 -3.959 -9.310 -0.322 1.00 0.00 C ATOM 0 H LEU A 28 -4.425 -11.072 -4.769 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.947 -10.275 -3.763 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.382 -9.914 -2.968 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.122 -11.380 -2.044 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.198 -10.343 -0.909 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.744 -7.941 -1.165 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.443 -8.843 -2.669 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.919 -7.865 -2.499 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.458 -8.731 0.453 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -4.746 -8.706 -0.774 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -4.397 -10.205 0.120 1.00 0.00 H new ATOM 353 N THR A 29 -0.785 -12.110 -2.557 1.00 0.00 N ATOM 354 CA THR A 29 0.046 -13.219 -2.119 1.00 0.00 C ATOM 355 C THR A 29 0.428 -13.049 -0.647 1.00 0.00 C ATOM 356 O THR A 29 0.062 -13.871 0.191 1.00 0.00 O ATOM 357 CB THR A 29 1.254 -13.303 -3.055 1.00 0.00 C ATOM 358 OG1 THR A 29 1.772 -11.976 -3.074 1.00 0.00 O ATOM 359 CG2 THR A 29 0.851 -13.567 -4.508 1.00 0.00 C ATOM 0 H THR A 29 -0.419 -11.186 -2.327 1.00 0.00 H new ATOM 0 HA THR A 29 -0.493 -14.165 -2.176 1.00 0.00 H new ATOM 0 HB THR A 29 1.923 -14.093 -2.714 1.00 0.00 H new ATOM 0 HG1 THR A 29 2.559 -11.940 -3.656 1.00 0.00 H new ATOM 0 HG21 THR A 29 1.745 -13.617 -5.130 1.00 0.00 H new ATOM 0 HG22 THR A 29 0.312 -14.512 -4.570 1.00 0.00 H new ATOM 0 HG23 THR A 29 0.209 -12.759 -4.860 1.00 0.00 H new ATOM 367 N GLN A 30 1.161 -11.979 -0.379 1.00 0.00 N ATOM 368 CA GLN A 30 1.597 -11.691 0.977 1.00 0.00 C ATOM 369 C GLN A 30 2.290 -10.328 1.034 1.00 0.00 C ATOM 370 O GLN A 30 2.731 -9.808 0.009 1.00 0.00 O ATOM 371 CB GLN A 30 2.515 -12.796 1.504 1.00 0.00 C ATOM 372 CG GLN A 30 3.805 -12.875 0.683 1.00 0.00 C ATOM 373 CD GLN A 30 4.912 -13.583 1.467 1.00 0.00 C ATOM 374 OE1 GLN A 30 4.761 -13.931 2.626 1.00 0.00 O ATOM 375 NE2 GLN A 30 6.028 -13.777 0.771 1.00 0.00 N ATOM 0 H GLN A 30 1.464 -11.301 -1.078 1.00 0.00 H new ATOM 0 HA GLN A 30 0.718 -11.657 1.621 1.00 0.00 H new ATOM 0 HB2 GLN A 30 2.756 -12.605 2.550 1.00 0.00 H new ATOM 0 HB3 GLN A 30 1.996 -13.754 1.466 1.00 0.00 H new ATOM 0 HG2 GLN A 30 3.615 -13.409 -0.248 1.00 0.00 H new ATOM 0 HG3 GLN A 30 4.131 -11.870 0.414 1.00 0.00 H new ATOM 0 HE21 GLN A 30 6.087 -13.460 -0.197 1.00 0.00 H new ATOM 0 HE22 GLN A 30 6.825 -14.243 1.205 1.00 0.00 H new ATOM 382 N TYR A 31 2.367 -9.790 2.242 1.00 0.00 N ATOM 383 CA TYR A 31 3.000 -8.497 2.446 1.00 0.00 C ATOM 384 C TYR A 31 4.515 -8.645 2.591 1.00 0.00 C ATOM 385 O TYR A 31 5.026 -9.759 2.708 1.00 0.00 O ATOM 386 CB TYR A 31 2.425 -7.948 3.752 1.00 0.00 C ATOM 387 CG TYR A 31 0.897 -7.874 3.778 1.00 0.00 C ATOM 388 CD1 TYR A 31 0.160 -8.962 4.202 1.00 0.00 C ATOM 389 CD2 TYR A 31 0.255 -6.720 3.377 1.00 0.00 C ATOM 390 CE1 TYR A 31 -1.278 -8.892 4.225 1.00 0.00 C ATOM 391 CE2 TYR A 31 -1.184 -6.651 3.401 1.00 0.00 C ATOM 392 CZ TYR A 31 -1.878 -7.741 3.824 1.00 0.00 C ATOM 393 OH TYR A 31 -3.236 -7.676 3.846 1.00 0.00 O ATOM 0 H TYR A 31 2.002 -10.225 3.089 1.00 0.00 H new ATOM 0 HA TYR A 31 2.812 -7.839 1.597 1.00 0.00 H new ATOM 0 HB2 TYR A 31 2.762 -8.575 4.577 1.00 0.00 H new ATOM 0 HB3 TYR A 31 2.830 -6.951 3.924 1.00 0.00 H new ATOM 0 HD1 TYR A 31 0.662 -9.865 4.516 1.00 0.00 H new ATOM 0 HD2 TYR A 31 0.831 -5.869 3.045 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -1.867 -9.736 4.554 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -1.699 -5.754 3.090 1.00 0.00 H new ATOM 0 HH TYR A 31 -3.608 -8.420 3.328 1.00 0.00 H new ATOM 402 N THR A 32 5.193 -7.507 2.581 1.00 0.00 N ATOM 403 CA THR A 32 6.641 -7.497 2.711 1.00 0.00 C ATOM 404 C THR A 32 7.060 -6.699 3.948 1.00 0.00 C ATOM 405 O THR A 32 8.247 -6.580 4.241 1.00 0.00 O ATOM 406 CB THR A 32 7.229 -6.951 1.408 1.00 0.00 C ATOM 407 OG1 THR A 32 6.728 -5.618 1.334 1.00 0.00 O ATOM 408 CG2 THR A 32 6.647 -7.636 0.170 1.00 0.00 C ATOM 0 H THR A 32 4.767 -6.585 2.485 1.00 0.00 H new ATOM 0 HA THR A 32 7.031 -8.503 2.864 1.00 0.00 H new ATOM 0 HB THR A 32 8.312 -7.077 1.417 1.00 0.00 H new ATOM 0 HG1 THR A 32 7.435 -5.020 1.014 1.00 0.00 H new ATOM 0 HG21 THR A 32 7.098 -7.211 -0.727 1.00 0.00 H new ATOM 0 HG22 THR A 32 6.859 -8.704 0.212 1.00 0.00 H new ATOM 0 HG23 THR A 32 5.568 -7.481 0.142 1.00 0.00 H new ATOM 416 N VAL A 33 6.059 -6.172 4.638 1.00 0.00 N ATOM 417 CA VAL A 33 6.309 -5.389 5.837 1.00 0.00 C ATOM 418 C VAL A 33 5.589 -6.035 7.023 1.00 0.00 C ATOM 419 O VAL A 33 4.659 -6.818 6.837 1.00 0.00 O ATOM 420 CB VAL A 33 5.894 -3.934 5.607 1.00 0.00 C ATOM 421 CG1 VAL A 33 6.400 -3.428 4.254 1.00 0.00 C ATOM 422 CG2 VAL A 33 4.378 -3.771 5.721 1.00 0.00 C ATOM 0 H VAL A 33 5.075 -6.271 4.390 1.00 0.00 H new ATOM 0 HA VAL A 33 7.374 -5.377 6.070 1.00 0.00 H new ATOM 0 HB VAL A 33 6.355 -3.327 6.386 1.00 0.00 H new ATOM 0 HG11 VAL A 33 6.092 -2.392 4.115 1.00 0.00 H new ATOM 0 HG12 VAL A 33 7.488 -3.490 4.226 1.00 0.00 H new ATOM 0 HG13 VAL A 33 5.981 -4.041 3.456 1.00 0.00 H new ATOM 0 HG21 VAL A 33 4.111 -2.728 5.553 1.00 0.00 H new ATOM 0 HG22 VAL A 33 3.888 -4.396 4.974 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.053 -4.073 6.717 1.00 0.00 H new ATOM 432 N GLU A 34 6.046 -5.683 8.215 1.00 0.00 N ATOM 433 CA GLU A 34 5.457 -6.218 9.430 1.00 0.00 C ATOM 434 C GLU A 34 4.221 -5.407 9.824 1.00 0.00 C ATOM 435 O GLU A 34 3.862 -4.447 9.144 1.00 0.00 O ATOM 436 CB GLU A 34 6.479 -6.247 10.568 1.00 0.00 C ATOM 437 CG GLU A 34 7.154 -4.883 10.734 1.00 0.00 C ATOM 438 CD GLU A 34 7.083 -4.408 12.186 1.00 0.00 C ATOM 439 OE1 GLU A 34 7.437 -5.222 13.067 1.00 0.00 O ATOM 440 OE2 GLU A 34 6.679 -3.243 12.384 1.00 0.00 O ATOM 0 H GLU A 34 6.818 -5.033 8.365 1.00 0.00 H new ATOM 0 HA GLU A 34 5.147 -7.245 9.238 1.00 0.00 H new ATOM 0 HB2 GLU A 34 5.985 -6.528 11.498 1.00 0.00 H new ATOM 0 HB3 GLU A 34 7.233 -7.008 10.365 1.00 0.00 H new ATOM 0 HG2 GLU A 34 8.196 -4.948 10.420 1.00 0.00 H new ATOM 0 HG3 GLU A 34 6.671 -4.153 10.085 1.00 0.00 H new ATOM 445 N ASP A 35 3.604 -5.823 10.921 1.00 0.00 N ATOM 446 CA ASP A 35 2.416 -5.147 11.412 1.00 0.00 C ATOM 447 C ASP A 35 2.675 -3.640 11.463 1.00 0.00 C ATOM 448 O ASP A 35 3.679 -3.197 12.019 1.00 0.00 O ATOM 449 CB ASP A 35 2.062 -5.613 12.826 1.00 0.00 C ATOM 450 CG ASP A 35 2.332 -7.092 13.105 1.00 0.00 C ATOM 451 OD1 ASP A 35 3.504 -7.409 13.407 1.00 0.00 O ATOM 452 OD2 ASP A 35 1.362 -7.874 13.011 1.00 0.00 O ATOM 0 H ASP A 35 3.905 -6.619 11.483 1.00 0.00 H new ATOM 0 HA ASP A 35 1.593 -5.381 10.737 1.00 0.00 H new ATOM 0 HB2 ASP A 35 2.626 -5.015 13.541 1.00 0.00 H new ATOM 0 HB3 ASP A 35 1.006 -5.412 13.005 1.00 0.00 H new ATOM 456 N GLY A 36 1.752 -2.893 10.874 1.00 0.00 N ATOM 457 CA GLY A 36 1.869 -1.445 10.845 1.00 0.00 C ATOM 458 C GLY A 36 3.232 -1.015 10.298 1.00 0.00 C ATOM 459 O GLY A 36 3.785 -0.003 10.726 1.00 0.00 O ATOM 0 H GLY A 36 0.921 -3.263 10.414 1.00 0.00 H new ATOM 0 HA2 GLY A 36 1.076 -1.025 10.226 1.00 0.00 H new ATOM 0 HA3 GLY A 36 1.734 -1.046 11.850 1.00 0.00 H new ATOM 463 N GLY A 37 3.734 -1.807 9.361 1.00 0.00 N ATOM 464 CA GLY A 37 5.022 -1.521 8.751 1.00 0.00 C ATOM 465 C GLY A 37 5.015 -0.149 8.073 1.00 0.00 C ATOM 466 O GLY A 37 4.120 0.154 7.286 1.00 0.00 O ATOM 0 H GLY A 37 3.272 -2.646 9.010 1.00 0.00 H new ATOM 0 HA2 GLY A 37 5.803 -1.551 9.511 1.00 0.00 H new ATOM 0 HA3 GLY A 37 5.260 -2.292 8.018 1.00 0.00 H new ATOM 470 N HIS A 38 6.024 0.644 8.404 1.00 0.00 N ATOM 471 CA HIS A 38 6.146 1.976 7.837 1.00 0.00 C ATOM 472 C HIS A 38 7.077 1.934 6.624 1.00 0.00 C ATOM 473 O HIS A 38 8.236 1.538 6.739 1.00 0.00 O ATOM 474 CB HIS A 38 6.601 2.979 8.899 1.00 0.00 C ATOM 475 CG HIS A 38 7.464 2.378 9.982 1.00 0.00 C ATOM 476 ND1 HIS A 38 7.153 2.471 11.327 1.00 0.00 N ATOM 477 CD2 HIS A 38 8.631 1.675 9.903 1.00 0.00 C ATOM 478 CE1 HIS A 38 8.096 1.850 12.018 1.00 0.00 C ATOM 479 NE2 HIS A 38 9.012 1.357 11.135 1.00 0.00 N ATOM 0 H HIS A 38 6.764 0.389 9.058 1.00 0.00 H new ATOM 0 HA HIS A 38 5.171 2.319 7.491 1.00 0.00 H new ATOM 0 HB2 HIS A 38 7.154 3.782 8.412 1.00 0.00 H new ATOM 0 HB3 HIS A 38 5.721 3.430 9.358 1.00 0.00 H new ATOM 0 HD2 HIS A 38 9.155 1.421 8.994 1.00 0.00 H new ATOM 0 HE1 HIS A 38 8.134 1.751 13.093 1.00 0.00 H new ATOM 0 HE2 HIS A 38 9.851 0.831 11.380 1.00 0.00 H new ATOM 486 N VAL A 39 6.535 2.348 5.487 1.00 0.00 N ATOM 487 CA VAL A 39 7.303 2.362 4.254 1.00 0.00 C ATOM 488 C VAL A 39 7.277 3.772 3.659 1.00 0.00 C ATOM 489 O VAL A 39 6.546 4.638 4.137 1.00 0.00 O ATOM 490 CB VAL A 39 6.769 1.299 3.293 1.00 0.00 C ATOM 491 CG1 VAL A 39 7.088 -0.109 3.801 1.00 0.00 C ATOM 492 CG2 VAL A 39 5.266 1.472 3.063 1.00 0.00 C ATOM 0 H VAL A 39 5.574 2.676 5.395 1.00 0.00 H new ATOM 0 HA VAL A 39 8.345 2.110 4.450 1.00 0.00 H new ATOM 0 HB VAL A 39 7.271 1.431 2.335 1.00 0.00 H new ATOM 0 HG11 VAL A 39 6.697 -0.846 3.099 1.00 0.00 H new ATOM 0 HG12 VAL A 39 8.168 -0.228 3.889 1.00 0.00 H new ATOM 0 HG13 VAL A 39 6.626 -0.257 4.777 1.00 0.00 H new ATOM 0 HG21 VAL A 39 4.912 0.703 2.376 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.740 1.380 4.013 1.00 0.00 H new ATOM 0 HG23 VAL A 39 5.074 2.456 2.636 1.00 0.00 H new ATOM 502 N GLU A 40 8.085 3.959 2.626 1.00 0.00 N ATOM 503 CA GLU A 40 8.164 5.248 1.960 1.00 0.00 C ATOM 504 C GLU A 40 7.584 5.153 0.547 1.00 0.00 C ATOM 505 O GLU A 40 7.585 4.082 -0.056 1.00 0.00 O ATOM 506 CB GLU A 40 9.606 5.761 1.928 1.00 0.00 C ATOM 507 CG GLU A 40 10.502 4.826 1.114 1.00 0.00 C ATOM 508 CD GLU A 40 11.922 5.386 1.004 1.00 0.00 C ATOM 509 OE1 GLU A 40 12.437 5.833 2.051 1.00 0.00 O ATOM 510 OE2 GLU A 40 12.460 5.353 -0.124 1.00 0.00 O ATOM 0 H GLU A 40 8.691 3.239 2.234 1.00 0.00 H new ATOM 0 HA GLU A 40 7.570 5.965 2.527 1.00 0.00 H new ATOM 0 HB2 GLU A 40 9.630 6.761 1.496 1.00 0.00 H new ATOM 0 HB3 GLU A 40 9.989 5.844 2.945 1.00 0.00 H new ATOM 0 HG2 GLU A 40 10.530 3.843 1.584 1.00 0.00 H new ATOM 0 HG3 GLU A 40 10.082 4.691 0.117 1.00 0.00 H new ATOM 515 N ALA A 41 7.104 6.288 0.062 1.00 0.00 N ATOM 516 CA ALA A 41 6.522 6.347 -1.267 1.00 0.00 C ATOM 517 C ALA A 41 7.550 5.860 -2.291 1.00 0.00 C ATOM 518 O ALA A 41 8.546 6.536 -2.545 1.00 0.00 O ATOM 519 CB ALA A 41 6.045 7.773 -1.553 1.00 0.00 C ATOM 0 H ALA A 41 7.106 7.175 0.566 1.00 0.00 H new ATOM 0 HA ALA A 41 5.653 5.693 -1.335 1.00 0.00 H new ATOM 0 HB1 ALA A 41 5.608 7.817 -2.551 1.00 0.00 H new ATOM 0 HB2 ALA A 41 5.296 8.061 -0.816 1.00 0.00 H new ATOM 0 HB3 ALA A 41 6.891 8.458 -1.497 1.00 0.00 H new ATOM 525 N GLY A 42 7.273 4.692 -2.850 1.00 0.00 N ATOM 526 CA GLY A 42 8.161 4.105 -3.840 1.00 0.00 C ATOM 527 C GLY A 42 8.602 2.703 -3.419 1.00 0.00 C ATOM 528 O GLY A 42 8.975 1.887 -4.260 1.00 0.00 O ATOM 0 H GLY A 42 6.446 4.135 -2.636 1.00 0.00 H new ATOM 0 HA2 GLY A 42 7.655 4.057 -4.804 1.00 0.00 H new ATOM 0 HA3 GLY A 42 9.036 4.741 -3.971 1.00 0.00 H new ATOM 532 N SER A 43 8.545 2.465 -2.116 1.00 0.00 N ATOM 533 CA SER A 43 8.934 1.175 -1.574 1.00 0.00 C ATOM 534 C SER A 43 7.852 0.133 -1.872 1.00 0.00 C ATOM 535 O SER A 43 6.842 0.446 -2.499 1.00 0.00 O ATOM 536 CB SER A 43 9.183 1.264 -0.067 1.00 0.00 C ATOM 537 OG SER A 43 10.461 1.818 0.231 1.00 0.00 O ATOM 0 H SER A 43 8.235 3.144 -1.421 1.00 0.00 H new ATOM 0 HA SER A 43 9.865 0.870 -2.052 1.00 0.00 H new ATOM 0 HB2 SER A 43 8.407 1.875 0.393 1.00 0.00 H new ATOM 0 HB3 SER A 43 9.108 0.269 0.372 1.00 0.00 H new ATOM 0 HG SER A 43 10.648 1.714 1.187 1.00 0.00 H new ATOM 542 N SER A 44 8.102 -1.082 -1.408 1.00 0.00 N ATOM 543 CA SER A 44 7.163 -2.170 -1.616 1.00 0.00 C ATOM 544 C SER A 44 6.737 -2.759 -0.271 1.00 0.00 C ATOM 545 O SER A 44 7.575 -3.018 0.591 1.00 0.00 O ATOM 546 CB SER A 44 7.771 -3.259 -2.504 1.00 0.00 C ATOM 547 OG SER A 44 8.225 -4.376 -1.742 1.00 0.00 O ATOM 0 H SER A 44 8.942 -1.337 -0.888 1.00 0.00 H new ATOM 0 HA SER A 44 6.285 -1.771 -2.124 1.00 0.00 H new ATOM 0 HB2 SER A 44 7.029 -3.592 -3.229 1.00 0.00 H new ATOM 0 HB3 SER A 44 8.605 -2.843 -3.069 1.00 0.00 H new ATOM 0 HG SER A 44 8.605 -5.050 -2.344 1.00 0.00 H new ATOM 552 N TYR A 45 5.433 -2.953 -0.132 1.00 0.00 N ATOM 553 CA TYR A 45 4.884 -3.506 1.094 1.00 0.00 C ATOM 554 C TYR A 45 4.137 -4.812 0.820 1.00 0.00 C ATOM 555 O TYR A 45 3.724 -5.502 1.751 1.00 0.00 O ATOM 556 CB TYR A 45 3.894 -2.466 1.620 1.00 0.00 C ATOM 557 CG TYR A 45 2.534 -2.490 0.917 1.00 0.00 C ATOM 558 CD1 TYR A 45 1.634 -3.499 1.193 1.00 0.00 C ATOM 559 CD2 TYR A 45 2.208 -1.503 0.009 1.00 0.00 C ATOM 560 CE1 TYR A 45 0.355 -3.523 0.532 1.00 0.00 C ATOM 561 CE2 TYR A 45 0.929 -1.527 -0.651 1.00 0.00 C ATOM 562 CZ TYR A 45 0.065 -2.536 -0.358 1.00 0.00 C ATOM 563 OH TYR A 45 -1.142 -2.557 -0.982 1.00 0.00 O ATOM 0 H TYR A 45 4.741 -2.737 -0.849 1.00 0.00 H new ATOM 0 HA TYR A 45 5.680 -3.723 1.807 1.00 0.00 H new ATOM 0 HB2 TYR A 45 3.743 -2.630 2.687 1.00 0.00 H new ATOM 0 HB3 TYR A 45 4.332 -1.474 1.509 1.00 0.00 H new ATOM 0 HD1 TYR A 45 1.889 -4.270 1.905 1.00 0.00 H new ATOM 0 HD2 TYR A 45 2.912 -0.713 -0.206 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -0.358 -4.307 0.738 1.00 0.00 H new ATOM 0 HE2 TYR A 45 0.661 -0.761 -1.363 1.00 0.00 H new ATOM 0 HH TYR A 45 -1.210 -1.790 -1.588 1.00 0.00 H new ATOM 572 N ALA A 46 3.985 -5.112 -0.461 1.00 0.00 N ATOM 573 CA ALA A 46 3.294 -6.324 -0.870 1.00 0.00 C ATOM 574 C ALA A 46 3.445 -6.507 -2.381 1.00 0.00 C ATOM 575 O ALA A 46 4.025 -5.659 -3.058 1.00 0.00 O ATOM 576 CB ALA A 46 1.829 -6.247 -0.435 1.00 0.00 C ATOM 0 H ALA A 46 4.328 -4.537 -1.230 1.00 0.00 H new ATOM 0 HA ALA A 46 3.732 -7.198 -0.387 1.00 0.00 H new ATOM 0 HB1 ALA A 46 1.310 -7.155 -0.741 1.00 0.00 H new ATOM 0 HB2 ALA A 46 1.776 -6.147 0.649 1.00 0.00 H new ATOM 0 HB3 ALA A 46 1.356 -5.384 -0.902 1.00 0.00 H new ATOM 582 N GLU A 47 2.913 -7.618 -2.866 1.00 0.00 N ATOM 583 CA GLU A 47 2.981 -7.925 -4.285 1.00 0.00 C ATOM 584 C GLU A 47 1.654 -8.516 -4.765 1.00 0.00 C ATOM 585 O GLU A 47 0.720 -8.672 -3.980 1.00 0.00 O ATOM 586 CB GLU A 47 4.144 -8.872 -4.587 1.00 0.00 C ATOM 587 CG GLU A 47 5.481 -8.243 -4.187 1.00 0.00 C ATOM 588 CD GLU A 47 6.535 -8.456 -5.275 1.00 0.00 C ATOM 589 OE1 GLU A 47 6.148 -8.376 -6.462 1.00 0.00 O ATOM 590 OE2 GLU A 47 7.702 -8.693 -4.897 1.00 0.00 O ATOM 0 H GLU A 47 2.432 -8.318 -2.301 1.00 0.00 H new ATOM 0 HA GLU A 47 3.161 -6.997 -4.828 1.00 0.00 H new ATOM 0 HB2 GLU A 47 4.004 -9.809 -4.049 1.00 0.00 H new ATOM 0 HB3 GLU A 47 4.155 -9.113 -5.650 1.00 0.00 H new ATOM 0 HG2 GLU A 47 5.346 -7.176 -4.010 1.00 0.00 H new ATOM 0 HG3 GLU A 47 5.827 -8.680 -3.250 1.00 0.00 H new ATOM 595 N MET A 48 1.614 -8.827 -6.052 1.00 0.00 N ATOM 596 CA MET A 48 0.416 -9.398 -6.647 1.00 0.00 C ATOM 597 C MET A 48 0.750 -10.151 -7.935 1.00 0.00 C ATOM 598 O MET A 48 1.630 -9.740 -8.689 1.00 0.00 O ATOM 599 CB MET A 48 -0.584 -8.281 -6.952 1.00 0.00 C ATOM 600 CG MET A 48 0.028 -7.239 -7.890 1.00 0.00 C ATOM 601 SD MET A 48 -0.883 -5.708 -7.780 1.00 0.00 S ATOM 602 CE MET A 48 -2.484 -6.257 -8.348 1.00 0.00 C ATOM 0 H MET A 48 2.391 -8.695 -6.700 1.00 0.00 H new ATOM 0 HA MET A 48 -0.019 -10.103 -5.939 1.00 0.00 H new ATOM 0 HB2 MET A 48 -1.480 -8.704 -7.407 1.00 0.00 H new ATOM 0 HB3 MET A 48 -0.894 -7.802 -6.023 1.00 0.00 H new ATOM 0 HG2 MET A 48 1.072 -7.070 -7.627 1.00 0.00 H new ATOM 0 HG3 MET A 48 0.013 -7.608 -8.916 1.00 0.00 H new ATOM 0 HE1 MET A 48 -3.193 -5.431 -8.291 1.00 0.00 H new ATOM 0 HE2 MET A 48 -2.406 -6.598 -9.380 1.00 0.00 H new ATOM 0 HE3 MET A 48 -2.831 -7.077 -7.720 1.00 0.00 H new ATOM 610 N GLU A 49 0.027 -11.243 -8.149 1.00 0.00 N ATOM 611 CA GLU A 49 0.236 -12.057 -9.334 1.00 0.00 C ATOM 612 C GLU A 49 -0.789 -11.698 -10.411 1.00 0.00 C ATOM 613 O GLU A 49 -1.951 -12.094 -10.325 1.00 0.00 O ATOM 614 CB GLU A 49 0.173 -13.548 -8.992 1.00 0.00 C ATOM 615 CG GLU A 49 0.562 -14.404 -10.198 1.00 0.00 C ATOM 616 CD GLU A 49 0.080 -15.846 -10.026 1.00 0.00 C ATOM 617 OE1 GLU A 49 -1.026 -16.011 -9.469 1.00 0.00 O ATOM 618 OE2 GLU A 49 0.828 -16.749 -10.455 1.00 0.00 O ATOM 0 H GLU A 49 -0.703 -11.581 -7.522 1.00 0.00 H new ATOM 0 HA GLU A 49 1.232 -11.849 -9.724 1.00 0.00 H new ATOM 0 HB2 GLU A 49 0.842 -13.762 -8.159 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -0.834 -13.808 -8.667 1.00 0.00 H new ATOM 0 HG2 GLU A 49 0.131 -13.979 -11.104 1.00 0.00 H new ATOM 0 HG3 GLU A 49 1.645 -14.391 -10.323 1.00 0.00 H new ATOM 623 N VAL A 50 -0.321 -10.954 -11.402 1.00 0.00 N ATOM 624 CA VAL A 50 -1.183 -10.538 -12.496 1.00 0.00 C ATOM 625 C VAL A 50 -0.560 -10.972 -13.824 1.00 0.00 C ATOM 626 O VAL A 50 0.650 -10.859 -14.013 1.00 0.00 O ATOM 627 CB VAL A 50 -1.435 -9.031 -12.419 1.00 0.00 C ATOM 628 CG1 VAL A 50 -0.118 -8.260 -12.297 1.00 0.00 C ATOM 629 CG2 VAL A 50 -2.244 -8.548 -13.625 1.00 0.00 C ATOM 0 H VAL A 50 0.643 -10.628 -11.471 1.00 0.00 H new ATOM 0 HA VAL A 50 -2.157 -11.022 -12.420 1.00 0.00 H new ATOM 0 HB VAL A 50 -2.022 -8.835 -11.522 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.326 -7.191 -12.244 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.405 -8.573 -11.393 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.506 -8.466 -13.167 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.409 -7.474 -13.546 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -1.695 -8.764 -14.542 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -3.205 -9.062 -13.648 1.00 0.00 H new ATOM 639 N MET A 51 -1.415 -11.461 -14.710 1.00 0.00 N ATOM 640 CA MET A 51 -0.964 -11.913 -16.015 1.00 0.00 C ATOM 641 C MET A 51 0.158 -12.946 -15.880 1.00 0.00 C ATOM 642 O MET A 51 1.164 -12.869 -16.583 1.00 0.00 O ATOM 643 CB MET A 51 -0.462 -10.716 -16.826 1.00 0.00 C ATOM 644 CG MET A 51 -1.632 -9.894 -17.371 1.00 0.00 C ATOM 645 SD MET A 51 -1.894 -10.274 -19.095 1.00 0.00 S ATOM 646 CE MET A 51 -3.590 -10.826 -19.037 1.00 0.00 C ATOM 0 H MET A 51 -2.418 -11.554 -14.550 1.00 0.00 H new ATOM 0 HA MET A 51 -1.805 -12.382 -16.526 1.00 0.00 H new ATOM 0 HB2 MET A 51 0.169 -10.086 -16.199 1.00 0.00 H new ATOM 0 HB3 MET A 51 0.157 -11.066 -17.652 1.00 0.00 H new ATOM 0 HG2 MET A 51 -2.536 -10.110 -16.801 1.00 0.00 H new ATOM 0 HG3 MET A 51 -1.427 -8.830 -17.252 1.00 0.00 H new ATOM 0 HE1 MET A 51 -3.916 -11.105 -20.039 1.00 0.00 H new ATOM 0 HE2 MET A 51 -3.669 -11.689 -18.376 1.00 0.00 H new ATOM 0 HE3 MET A 51 -4.222 -10.022 -18.660 1.00 0.00 H new ATOM 654 N LYS A 52 -0.053 -13.885 -14.970 1.00 0.00 N ATOM 655 CA LYS A 52 0.929 -14.930 -14.734 1.00 0.00 C ATOM 656 C LYS A 52 2.272 -14.292 -14.378 1.00 0.00 C ATOM 657 O LYS A 52 3.324 -14.899 -14.577 1.00 0.00 O ATOM 658 CB LYS A 52 0.998 -15.881 -15.931 1.00 0.00 C ATOM 659 CG LYS A 52 0.051 -17.068 -15.744 1.00 0.00 C ATOM 660 CD LYS A 52 0.549 -18.293 -16.513 1.00 0.00 C ATOM 661 CE LYS A 52 -0.217 -19.551 -16.097 1.00 0.00 C ATOM 662 NZ LYS A 52 0.723 -20.653 -15.791 1.00 0.00 N ATOM 0 H LYS A 52 -0.888 -13.944 -14.388 1.00 0.00 H new ATOM 0 HA LYS A 52 0.633 -15.545 -13.884 1.00 0.00 H new ATOM 0 HB2 LYS A 52 0.737 -15.343 -16.843 1.00 0.00 H new ATOM 0 HB3 LYS A 52 2.019 -16.242 -16.055 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -0.032 -17.308 -14.684 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -0.947 -16.799 -16.089 1.00 0.00 H new ATOM 0 HD2 LYS A 52 0.430 -18.128 -17.584 1.00 0.00 H new ATOM 0 HD3 LYS A 52 1.614 -18.434 -16.329 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -0.832 -19.337 -15.223 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -0.893 -19.853 -16.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 0.187 -21.499 -15.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 1.292 -20.868 -16.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 1.351 -20.368 -15.013 1.00 0.00 H new ATOM 672 N MET A 53 2.195 -13.076 -13.858 1.00 0.00 N ATOM 673 CA MET A 53 3.391 -12.348 -13.472 1.00 0.00 C ATOM 674 C MET A 53 3.250 -11.767 -12.065 1.00 0.00 C ATOM 675 O MET A 53 2.160 -11.358 -11.664 1.00 0.00 O ATOM 676 CB MET A 53 3.644 -11.216 -14.470 1.00 0.00 C ATOM 677 CG MET A 53 3.879 -11.767 -15.877 1.00 0.00 C ATOM 678 SD MET A 53 5.381 -11.084 -16.558 1.00 0.00 S ATOM 679 CE MET A 53 5.943 -12.474 -17.526 1.00 0.00 C ATOM 0 H MET A 53 1.321 -12.576 -13.695 1.00 0.00 H new ATOM 0 HA MET A 53 4.232 -13.041 -13.475 1.00 0.00 H new ATOM 0 HB2 MET A 53 2.791 -10.537 -14.479 1.00 0.00 H new ATOM 0 HB3 MET A 53 4.510 -10.635 -14.154 1.00 0.00 H new ATOM 0 HG2 MET A 53 3.947 -12.854 -15.844 1.00 0.00 H new ATOM 0 HG3 MET A 53 3.034 -11.520 -16.519 1.00 0.00 H new ATOM 0 HE1 MET A 53 6.878 -12.217 -18.023 1.00 0.00 H new ATOM 0 HE2 MET A 53 6.103 -13.332 -16.872 1.00 0.00 H new ATOM 0 HE3 MET A 53 5.191 -12.724 -18.275 1.00 0.00 H new ATOM 687 N ILE A 54 4.366 -11.748 -11.351 1.00 0.00 N ATOM 688 CA ILE A 54 4.380 -11.224 -9.997 1.00 0.00 C ATOM 689 C ILE A 54 4.747 -9.739 -10.033 1.00 0.00 C ATOM 690 O ILE A 54 5.856 -9.379 -10.424 1.00 0.00 O ATOM 691 CB ILE A 54 5.299 -12.063 -9.106 1.00 0.00 C ATOM 692 CG1 ILE A 54 4.847 -13.524 -9.075 1.00 0.00 C ATOM 693 CG2 ILE A 54 5.399 -11.464 -7.702 1.00 0.00 C ATOM 694 CD1 ILE A 54 3.462 -13.657 -8.436 1.00 0.00 C ATOM 0 H ILE A 54 5.268 -12.088 -11.686 1.00 0.00 H new ATOM 0 HA ILE A 54 3.388 -11.297 -9.551 1.00 0.00 H new ATOM 0 HB ILE A 54 6.301 -12.044 -9.535 1.00 0.00 H new ATOM 0 HG12 ILE A 54 4.823 -13.922 -10.089 1.00 0.00 H new ATOM 0 HG13 ILE A 54 5.568 -14.120 -8.515 1.00 0.00 H new ATOM 0 HG21 ILE A 54 6.058 -12.080 -7.090 1.00 0.00 H new ATOM 0 HG22 ILE A 54 5.802 -10.453 -7.766 1.00 0.00 H new ATOM 0 HG23 ILE A 54 4.408 -11.432 -7.249 1.00 0.00 H new ATOM 0 HD11 ILE A 54 3.165 -14.706 -8.427 1.00 0.00 H new ATOM 0 HD12 ILE A 54 3.495 -13.280 -7.414 1.00 0.00 H new ATOM 0 HD13 ILE A 54 2.739 -13.080 -9.012 1.00 0.00 H new ATOM 705 N MET A 55 3.794 -8.916 -9.619 1.00 0.00 N ATOM 706 CA MET A 55 4.004 -7.479 -9.600 1.00 0.00 C ATOM 707 C MET A 55 4.147 -6.965 -8.165 1.00 0.00 C ATOM 708 O MET A 55 3.448 -7.425 -7.265 1.00 0.00 O ATOM 709 CB MET A 55 2.822 -6.781 -10.276 1.00 0.00 C ATOM 710 CG MET A 55 3.004 -5.262 -10.267 1.00 0.00 C ATOM 711 SD MET A 55 2.074 -4.528 -11.602 1.00 0.00 S ATOM 712 CE MET A 55 1.699 -2.938 -10.881 1.00 0.00 C ATOM 0 H MET A 55 2.875 -9.217 -9.294 1.00 0.00 H new ATOM 0 HA MET A 55 4.925 -7.258 -10.139 1.00 0.00 H new ATOM 0 HB2 MET A 55 2.726 -7.133 -11.303 1.00 0.00 H new ATOM 0 HB3 MET A 55 1.898 -7.043 -9.761 1.00 0.00 H new ATOM 0 HG2 MET A 55 2.671 -4.853 -9.313 1.00 0.00 H new ATOM 0 HG3 MET A 55 4.060 -5.013 -10.369 1.00 0.00 H new ATOM 0 HE1 MET A 55 1.117 -2.346 -11.588 1.00 0.00 H new ATOM 0 HE2 MET A 55 1.124 -3.080 -9.966 1.00 0.00 H new ATOM 0 HE3 MET A 55 2.627 -2.416 -10.649 1.00 0.00 H new ATOM 720 N THR A 56 5.059 -6.018 -7.998 1.00 0.00 N ATOM 721 CA THR A 56 5.303 -5.437 -6.689 1.00 0.00 C ATOM 722 C THR A 56 4.282 -4.336 -6.396 1.00 0.00 C ATOM 723 O THR A 56 3.884 -3.598 -7.296 1.00 0.00 O ATOM 724 CB THR A 56 6.753 -4.948 -6.652 1.00 0.00 C ATOM 725 OG1 THR A 56 7.440 -5.831 -7.533 1.00 0.00 O ATOM 726 CG2 THR A 56 7.416 -5.185 -5.294 1.00 0.00 C ATOM 0 H THR A 56 5.638 -5.639 -8.748 1.00 0.00 H new ATOM 0 HA THR A 56 5.174 -6.175 -5.898 1.00 0.00 H new ATOM 0 HB THR A 56 6.784 -3.885 -6.890 1.00 0.00 H new ATOM 0 HG1 THR A 56 7.249 -6.759 -7.281 1.00 0.00 H new ATOM 0 HG21 THR A 56 8.443 -4.820 -5.322 1.00 0.00 H new ATOM 0 HG22 THR A 56 6.862 -4.652 -4.521 1.00 0.00 H new ATOM 0 HG23 THR A 56 7.416 -6.252 -5.070 1.00 0.00 H new ATOM 734 N LEU A 57 3.889 -4.259 -5.133 1.00 0.00 N ATOM 735 CA LEU A 57 2.922 -3.261 -4.710 1.00 0.00 C ATOM 736 C LEU A 57 3.620 -2.223 -3.827 1.00 0.00 C ATOM 737 O LEU A 57 4.109 -2.551 -2.747 1.00 0.00 O ATOM 738 CB LEU A 57 1.720 -3.929 -4.040 1.00 0.00 C ATOM 739 CG LEU A 57 0.474 -4.096 -4.911 1.00 0.00 C ATOM 740 CD1 LEU A 57 -0.588 -4.935 -4.197 1.00 0.00 C ATOM 741 CD2 LEU A 57 -0.072 -2.736 -5.355 1.00 0.00 C ATOM 0 H LEU A 57 4.223 -4.872 -4.389 1.00 0.00 H new ATOM 0 HA LEU A 57 2.521 -2.729 -5.573 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.027 -4.914 -3.687 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.449 -3.345 -3.160 1.00 0.00 H new ATOM 0 HG LEU A 57 0.759 -4.638 -5.812 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.463 -5.038 -4.839 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.183 -5.922 -3.975 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.876 -4.443 -3.268 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.958 -2.884 -5.973 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.336 -2.146 -4.477 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.689 -2.209 -5.931 1.00 0.00 H new ATOM 752 N ASN A 58 3.644 -0.994 -4.320 1.00 0.00 N ATOM 753 CA ASN A 58 4.273 0.093 -3.590 1.00 0.00 C ATOM 754 C ASN A 58 3.194 1.043 -3.067 1.00 0.00 C ATOM 755 O ASN A 58 2.056 1.013 -3.535 1.00 0.00 O ATOM 756 CB ASN A 58 5.211 0.895 -4.495 1.00 0.00 C ATOM 757 CG ASN A 58 4.591 1.107 -5.877 1.00 0.00 C ATOM 758 OD1 ASN A 58 3.393 1.277 -6.028 1.00 0.00 O ATOM 759 ND2 ASN A 58 5.471 1.086 -6.874 1.00 0.00 N ATOM 0 H ASN A 58 3.238 -0.727 -5.217 1.00 0.00 H new ATOM 0 HA ASN A 58 4.846 -0.340 -2.770 1.00 0.00 H new ATOM 0 HB2 ASN A 58 5.426 1.860 -4.037 1.00 0.00 H new ATOM 0 HB3 ASN A 58 6.161 0.371 -4.595 1.00 0.00 H new ATOM 0 HD21 ASN A 58 5.156 1.217 -7.835 1.00 0.00 H new ATOM 0 HD22 ASN A 58 6.461 0.939 -6.677 1.00 0.00 H new ATOM 765 N VAL A 59 3.589 1.865 -2.106 1.00 0.00 N ATOM 766 CA VAL A 59 2.669 2.822 -1.515 1.00 0.00 C ATOM 767 C VAL A 59 2.706 4.122 -2.322 1.00 0.00 C ATOM 768 O VAL A 59 3.780 4.603 -2.683 1.00 0.00 O ATOM 769 CB VAL A 59 3.004 3.027 -0.037 1.00 0.00 C ATOM 770 CG1 VAL A 59 3.005 1.693 0.714 1.00 0.00 C ATOM 771 CG2 VAL A 59 4.343 3.750 0.128 1.00 0.00 C ATOM 0 H VAL A 59 4.534 1.888 -1.722 1.00 0.00 H new ATOM 0 HA VAL A 59 1.648 2.443 -1.553 1.00 0.00 H new ATOM 0 HB VAL A 59 2.228 3.657 0.398 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.246 1.866 1.763 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.020 1.233 0.639 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.750 1.029 0.275 1.00 0.00 H new ATOM 0 HG21 VAL A 59 4.557 3.883 1.189 1.00 0.00 H new ATOM 0 HG22 VAL A 59 5.135 3.158 -0.330 1.00 0.00 H new ATOM 0 HG23 VAL A 59 4.292 4.725 -0.357 1.00 0.00 H new ATOM 781 N GLN A 60 1.521 4.655 -2.580 1.00 0.00 N ATOM 782 CA GLN A 60 1.404 5.890 -3.336 1.00 0.00 C ATOM 783 C GLN A 60 2.037 7.049 -2.562 1.00 0.00 C ATOM 784 O GLN A 60 2.544 7.996 -3.161 1.00 0.00 O ATOM 785 CB GLN A 60 -0.057 6.190 -3.675 1.00 0.00 C ATOM 786 CG GLN A 60 -0.214 6.549 -5.154 1.00 0.00 C ATOM 787 CD GLN A 60 -1.646 6.295 -5.630 1.00 0.00 C ATOM 788 OE1 GLN A 60 -2.492 5.804 -4.902 1.00 0.00 O ATOM 789 NE2 GLN A 60 -1.869 6.655 -6.892 1.00 0.00 N ATOM 0 H GLN A 60 0.633 4.254 -2.279 1.00 0.00 H new ATOM 0 HA GLN A 60 1.943 5.769 -4.276 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -0.674 5.323 -3.440 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -0.416 7.013 -3.057 1.00 0.00 H new ATOM 0 HG2 GLN A 60 0.044 7.597 -5.307 1.00 0.00 H new ATOM 0 HG3 GLN A 60 0.482 5.959 -5.751 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -1.116 7.061 -7.447 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -2.793 6.525 -7.304 1.00 0.00 H new ATOM 796 N GLU A 61 1.986 6.935 -1.243 1.00 0.00 N ATOM 797 CA GLU A 61 2.548 7.961 -0.381 1.00 0.00 C ATOM 798 C GLU A 61 2.986 7.352 0.952 1.00 0.00 C ATOM 799 O GLU A 61 2.235 6.601 1.573 1.00 0.00 O ATOM 800 CB GLU A 61 1.549 9.099 -0.163 1.00 0.00 C ATOM 801 CG GLU A 61 1.153 9.745 -1.492 1.00 0.00 C ATOM 802 CD GLU A 61 2.366 10.382 -2.174 1.00 0.00 C ATOM 803 OE1 GLU A 61 3.371 10.596 -1.462 1.00 0.00 O ATOM 804 OE2 GLU A 61 2.261 10.641 -3.392 1.00 0.00 O ATOM 0 H GLU A 61 1.564 6.148 -0.750 1.00 0.00 H new ATOM 0 HA GLU A 61 3.426 8.381 -0.871 1.00 0.00 H new ATOM 0 HB2 GLU A 61 0.660 8.716 0.338 1.00 0.00 H new ATOM 0 HB3 GLU A 61 1.986 9.850 0.494 1.00 0.00 H new ATOM 0 HG2 GLU A 61 0.714 8.994 -2.149 1.00 0.00 H new ATOM 0 HG3 GLU A 61 0.389 10.503 -1.319 1.00 0.00 H new ATOM 809 N ARG A 62 4.200 7.699 1.354 1.00 0.00 N ATOM 810 CA ARG A 62 4.747 7.196 2.602 1.00 0.00 C ATOM 811 C ARG A 62 3.648 7.098 3.663 1.00 0.00 C ATOM 812 O ARG A 62 2.647 7.808 3.592 1.00 0.00 O ATOM 813 CB ARG A 62 5.865 8.105 3.119 1.00 0.00 C ATOM 814 CG ARG A 62 5.307 9.454 3.576 1.00 0.00 C ATOM 815 CD ARG A 62 6.165 10.607 3.054 1.00 0.00 C ATOM 816 NE ARG A 62 5.979 11.803 3.905 1.00 0.00 N ATOM 817 CZ ARG A 62 6.763 12.889 3.857 1.00 0.00 C ATOM 818 NH1 ARG A 62 7.791 12.936 2.999 1.00 0.00 N ATOM 819 NH2 ARG A 62 6.520 13.928 4.668 1.00 0.00 N ATOM 0 H ARG A 62 4.820 8.323 0.837 1.00 0.00 H new ATOM 0 HA ARG A 62 5.159 6.206 2.408 1.00 0.00 H new ATOM 0 HB2 ARG A 62 6.379 7.620 3.949 1.00 0.00 H new ATOM 0 HB3 ARG A 62 6.605 8.261 2.334 1.00 0.00 H new ATOM 0 HG2 ARG A 62 4.283 9.568 3.220 1.00 0.00 H new ATOM 0 HG3 ARG A 62 5.271 9.487 4.665 1.00 0.00 H new ATOM 0 HD2 ARG A 62 7.215 10.315 3.047 1.00 0.00 H new ATOM 0 HD3 ARG A 62 5.892 10.837 2.024 1.00 0.00 H new ATOM 0 HE ARG A 62 5.206 11.801 4.570 1.00 0.00 H new ATOM 0 HH11 ARG A 62 7.977 12.145 2.382 1.00 0.00 H new ATOM 0 HH12 ARG A 62 8.388 13.763 2.963 1.00 0.00 H new ATOM 0 HH21 ARG A 62 5.738 13.892 5.322 1.00 0.00 H new ATOM 0 HH22 ARG A 62 7.117 14.754 4.631 1.00 0.00 H new ATOM 830 N GLY A 63 3.872 6.210 4.620 1.00 0.00 N ATOM 831 CA GLY A 63 2.913 6.009 5.694 1.00 0.00 C ATOM 832 C GLY A 63 3.115 4.647 6.361 1.00 0.00 C ATOM 833 O GLY A 63 4.247 4.193 6.525 1.00 0.00 O ATOM 0 H GLY A 63 4.703 5.621 4.675 1.00 0.00 H new ATOM 0 HA2 GLY A 63 3.021 6.801 6.435 1.00 0.00 H new ATOM 0 HA3 GLY A 63 1.899 6.078 5.299 1.00 0.00 H new ATOM 837 N ARG A 64 2.000 4.033 6.727 1.00 0.00 N ATOM 838 CA ARG A 64 2.039 2.732 7.373 1.00 0.00 C ATOM 839 C ARG A 64 1.065 1.770 6.691 1.00 0.00 C ATOM 840 O ARG A 64 -0.119 2.072 6.557 1.00 0.00 O ATOM 841 CB ARG A 64 1.681 2.842 8.857 1.00 0.00 C ATOM 842 CG ARG A 64 2.908 3.215 9.691 1.00 0.00 C ATOM 843 CD ARG A 64 2.761 2.724 11.133 1.00 0.00 C ATOM 844 NE ARG A 64 2.197 3.800 11.979 1.00 0.00 N ATOM 845 CZ ARG A 64 2.866 4.905 12.334 1.00 0.00 C ATOM 846 NH1 ARG A 64 4.127 5.087 11.918 1.00 0.00 N ATOM 847 NH2 ARG A 64 2.274 5.828 13.104 1.00 0.00 N ATOM 0 H ARG A 64 1.063 4.412 6.589 1.00 0.00 H new ATOM 0 HA ARG A 64 3.056 2.349 7.283 1.00 0.00 H new ATOM 0 HB2 ARG A 64 0.903 3.593 8.992 1.00 0.00 H new ATOM 0 HB3 ARG A 64 1.273 1.894 9.208 1.00 0.00 H new ATOM 0 HG2 ARG A 64 3.802 2.780 9.244 1.00 0.00 H new ATOM 0 HG3 ARG A 64 3.042 4.297 9.683 1.00 0.00 H new ATOM 0 HD2 ARG A 64 2.112 1.848 11.163 1.00 0.00 H new ATOM 0 HD3 ARG A 64 3.732 2.415 11.522 1.00 0.00 H new ATOM 0 HE ARG A 64 1.239 3.693 12.312 1.00 0.00 H new ATOM 0 HH11 ARG A 64 4.577 4.384 11.331 1.00 0.00 H new ATOM 0 HH12 ARG A 64 4.637 5.928 12.188 1.00 0.00 H new ATOM 0 HH21 ARG A 64 1.314 5.689 13.420 1.00 0.00 H new ATOM 0 HH22 ARG A 64 2.783 6.669 13.374 1.00 0.00 H new ATOM 858 N VAL A 65 1.601 0.631 6.276 1.00 0.00 N ATOM 859 CA VAL A 65 0.793 -0.377 5.610 1.00 0.00 C ATOM 860 C VAL A 65 0.103 -1.248 6.663 1.00 0.00 C ATOM 861 O VAL A 65 0.752 -1.754 7.576 1.00 0.00 O ATOM 862 CB VAL A 65 1.658 -1.184 4.640 1.00 0.00 C ATOM 863 CG1 VAL A 65 0.881 -2.372 4.071 1.00 0.00 C ATOM 864 CG2 VAL A 65 2.200 -0.294 3.518 1.00 0.00 C ATOM 0 H VAL A 65 2.584 0.384 6.388 1.00 0.00 H new ATOM 0 HA VAL A 65 0.011 0.093 5.013 1.00 0.00 H new ATOM 0 HB VAL A 65 2.509 -1.577 5.197 1.00 0.00 H new ATOM 0 HG11 VAL A 65 1.519 -2.929 3.385 1.00 0.00 H new ATOM 0 HG12 VAL A 65 0.567 -3.025 4.885 1.00 0.00 H new ATOM 0 HG13 VAL A 65 0.002 -2.010 3.537 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.812 -0.892 2.842 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.368 0.141 2.965 1.00 0.00 H new ATOM 0 HG23 VAL A 65 2.807 0.503 3.947 1.00 0.00 H new ATOM 874 N LYS A 66 -1.203 -1.395 6.497 1.00 0.00 N ATOM 875 CA LYS A 66 -1.988 -2.197 7.422 1.00 0.00 C ATOM 876 C LYS A 66 -2.700 -3.309 6.648 1.00 0.00 C ATOM 877 O LYS A 66 -2.853 -3.223 5.431 1.00 0.00 O ATOM 878 CB LYS A 66 -2.934 -1.308 8.231 1.00 0.00 C ATOM 879 CG LYS A 66 -3.293 -1.962 9.566 1.00 0.00 C ATOM 880 CD LYS A 66 -3.004 -1.018 10.735 1.00 0.00 C ATOM 881 CE LYS A 66 -3.811 -1.414 11.973 1.00 0.00 C ATOM 882 NZ LYS A 66 -4.903 -0.444 12.212 1.00 0.00 N ATOM 0 H LYS A 66 -1.737 -0.973 5.737 1.00 0.00 H new ATOM 0 HA LYS A 66 -1.340 -2.681 8.152 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -2.465 -0.340 8.410 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -3.842 -1.121 7.658 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -4.348 -2.237 9.568 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -2.723 -2.883 9.688 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -1.940 -1.038 10.969 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -3.248 0.005 10.450 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -4.227 -2.413 11.839 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -3.156 -1.455 12.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -5.441 -0.728 13.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -4.500 0.503 12.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -5.537 -0.425 11.388 1.00 0.00 H new ATOM 892 N TYR A 67 -3.116 -4.327 7.387 1.00 0.00 N ATOM 893 CA TYR A 67 -3.807 -5.454 6.786 1.00 0.00 C ATOM 894 C TYR A 67 -5.299 -5.158 6.621 1.00 0.00 C ATOM 895 O TYR A 67 -5.998 -4.905 7.601 1.00 0.00 O ATOM 896 CB TYR A 67 -3.637 -6.622 7.761 1.00 0.00 C ATOM 897 CG TYR A 67 -4.809 -7.605 7.764 1.00 0.00 C ATOM 898 CD1 TYR A 67 -4.959 -8.503 6.727 1.00 0.00 C ATOM 899 CD2 TYR A 67 -5.715 -7.595 8.804 1.00 0.00 C ATOM 900 CE1 TYR A 67 -6.062 -9.429 6.731 1.00 0.00 C ATOM 901 CE2 TYR A 67 -6.818 -8.520 8.808 1.00 0.00 C ATOM 902 CZ TYR A 67 -6.937 -9.392 7.771 1.00 0.00 C ATOM 903 OH TYR A 67 -7.978 -10.266 7.775 1.00 0.00 O ATOM 0 H TYR A 67 -2.988 -4.394 8.397 1.00 0.00 H new ATOM 0 HA TYR A 67 -3.400 -5.670 5.798 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -2.724 -7.162 7.510 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -3.506 -6.225 8.768 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -4.250 -8.511 5.913 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -5.597 -6.893 9.616 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -6.191 -10.137 5.926 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -7.535 -8.522 9.616 1.00 0.00 H new ATOM 0 HH TYR A 67 -8.520 -10.126 8.579 1.00 0.00 H new ATOM 912 N ILE A 68 -5.742 -5.197 5.373 1.00 0.00 N ATOM 913 CA ILE A 68 -7.139 -4.936 5.067 1.00 0.00 C ATOM 914 C ILE A 68 -7.776 -6.202 4.492 1.00 0.00 C ATOM 915 O ILE A 68 -8.725 -6.738 5.061 1.00 0.00 O ATOM 916 CB ILE A 68 -7.267 -3.714 4.154 1.00 0.00 C ATOM 917 CG1 ILE A 68 -6.720 -2.460 4.838 1.00 0.00 C ATOM 918 CG2 ILE A 68 -8.712 -3.529 3.687 1.00 0.00 C ATOM 919 CD1 ILE A 68 -7.238 -2.348 6.273 1.00 0.00 C ATOM 0 H ILE A 68 -5.159 -5.405 4.562 1.00 0.00 H new ATOM 0 HA ILE A 68 -7.688 -4.687 5.975 1.00 0.00 H new ATOM 0 HB ILE A 68 -6.661 -3.886 3.265 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -5.630 -2.490 4.842 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -7.013 -1.576 4.272 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -8.776 -2.654 3.040 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -9.032 -4.413 3.135 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -9.359 -3.388 4.553 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -6.834 -1.448 6.736 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -8.327 -2.294 6.264 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -6.923 -3.222 6.843 1.00 0.00 H new ATOM 930 N LYS A 69 -7.228 -6.645 3.369 1.00 0.00 N ATOM 931 CA LYS A 69 -7.731 -7.838 2.710 1.00 0.00 C ATOM 932 C LYS A 69 -6.797 -9.012 3.009 1.00 0.00 C ATOM 933 O LYS A 69 -5.592 -8.826 3.171 1.00 0.00 O ATOM 934 CB LYS A 69 -7.936 -7.580 1.216 1.00 0.00 C ATOM 935 CG LYS A 69 -8.683 -6.264 0.985 1.00 0.00 C ATOM 936 CD LYS A 69 -10.175 -6.420 1.283 1.00 0.00 C ATOM 937 CE LYS A 69 -10.871 -7.234 0.191 1.00 0.00 C ATOM 938 NZ LYS A 69 -12.337 -7.222 0.390 1.00 0.00 N ATOM 0 H LYS A 69 -6.440 -6.198 2.899 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.713 -8.103 3.101 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -6.970 -7.547 0.713 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -8.497 -8.403 0.775 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -8.261 -5.486 1.621 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -8.547 -5.941 -0.047 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -10.307 -6.911 2.247 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -10.639 -5.437 1.360 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -10.628 -6.822 -0.788 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -10.505 -8.260 0.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -12.794 -7.779 -0.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -12.565 -7.636 1.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -12.684 -6.242 0.354 1.00 0.00 H new ATOM 948 N ARG A 70 -7.388 -10.196 3.072 1.00 0.00 N ATOM 949 CA ARG A 70 -6.623 -11.401 3.348 1.00 0.00 C ATOM 950 C ARG A 70 -5.776 -11.782 2.132 1.00 0.00 C ATOM 951 O ARG A 70 -6.157 -11.508 0.995 1.00 0.00 O ATOM 952 CB ARG A 70 -7.545 -12.569 3.706 1.00 0.00 C ATOM 953 CG ARG A 70 -7.800 -12.625 5.212 1.00 0.00 C ATOM 954 CD ARG A 70 -7.193 -13.887 5.825 1.00 0.00 C ATOM 955 NE ARG A 70 -7.898 -14.231 7.080 1.00 0.00 N ATOM 956 CZ ARG A 70 -7.925 -15.459 7.615 1.00 0.00 C ATOM 957 NH1 ARG A 70 -7.287 -16.469 7.007 1.00 0.00 N ATOM 958 NH2 ARG A 70 -8.590 -15.677 8.758 1.00 0.00 N ATOM 0 H ARG A 70 -8.388 -10.347 2.937 1.00 0.00 H new ATOM 0 HA ARG A 70 -5.972 -11.194 4.197 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -8.492 -12.464 3.177 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -7.097 -13.506 3.375 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -7.373 -11.743 5.690 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -8.873 -12.603 5.404 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -7.265 -14.715 5.119 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -6.133 -13.730 6.025 1.00 0.00 H new ATOM 0 HE ARG A 70 -8.395 -13.486 7.569 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -6.781 -16.303 6.137 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -7.307 -17.404 7.414 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -9.075 -14.908 9.220 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -8.611 -16.612 9.166 1.00 0.00 H new ATOM 969 N PRO A 71 -4.614 -12.425 2.420 1.00 0.00 N ATOM 970 CA PRO A 71 -3.709 -12.848 1.364 1.00 0.00 C ATOM 971 C PRO A 71 -4.252 -14.080 0.638 1.00 0.00 C ATOM 972 O PRO A 71 -4.630 -15.063 1.273 1.00 0.00 O ATOM 973 CB PRO A 71 -2.383 -13.104 2.060 1.00 0.00 C ATOM 974 CG PRO A 71 -2.711 -13.266 3.536 1.00 0.00 C ATOM 975 CD PRO A 71 -4.130 -12.768 3.755 1.00 0.00 C ATOM 0 HA PRO A 71 -3.594 -12.097 0.583 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -1.902 -13.999 1.666 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -1.693 -12.275 1.902 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -2.623 -14.311 3.834 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -2.009 -12.699 4.148 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -4.752 -13.535 4.216 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -4.148 -11.902 4.417 1.00 0.00 H new ATOM 980 N GLY A 72 -4.272 -13.987 -0.683 1.00 0.00 N ATOM 981 CA GLY A 72 -4.763 -15.083 -1.503 1.00 0.00 C ATOM 982 C GLY A 72 -6.098 -14.724 -2.157 1.00 0.00 C ATOM 983 O GLY A 72 -6.755 -15.581 -2.746 1.00 0.00 O ATOM 0 H GLY A 72 -3.956 -13.170 -1.207 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -4.030 -15.322 -2.273 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -4.883 -15.976 -0.889 1.00 0.00 H new ATOM 987 N ALA A 73 -6.460 -13.456 -2.031 1.00 0.00 N ATOM 988 CA ALA A 73 -7.707 -12.973 -2.602 1.00 0.00 C ATOM 989 C ALA A 73 -7.507 -12.703 -4.095 1.00 0.00 C ATOM 990 O ALA A 73 -6.378 -12.707 -4.585 1.00 0.00 O ATOM 991 CB ALA A 73 -8.169 -11.729 -1.841 1.00 0.00 C ATOM 0 H ALA A 73 -5.912 -12.748 -1.542 1.00 0.00 H new ATOM 0 HA ALA A 73 -8.491 -13.724 -2.504 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -9.104 -11.367 -2.269 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -8.324 -11.981 -0.792 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -7.409 -10.952 -1.919 1.00 0.00 H new ATOM 997 N VAL A 74 -8.620 -12.473 -4.776 1.00 0.00 N ATOM 998 CA VAL A 74 -8.582 -12.201 -6.203 1.00 0.00 C ATOM 999 C VAL A 74 -8.477 -10.691 -6.427 1.00 0.00 C ATOM 1000 O VAL A 74 -9.470 -9.974 -6.319 1.00 0.00 O ATOM 1001 CB VAL A 74 -9.800 -12.824 -6.887 1.00 0.00 C ATOM 1002 CG1 VAL A 74 -11.089 -12.122 -6.457 1.00 0.00 C ATOM 1003 CG2 VAL A 74 -9.644 -12.802 -8.409 1.00 0.00 C ATOM 0 H VAL A 74 -9.554 -12.469 -4.366 1.00 0.00 H new ATOM 0 HA VAL A 74 -7.703 -12.659 -6.656 1.00 0.00 H new ATOM 0 HB VAL A 74 -9.866 -13.865 -6.572 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -11.940 -12.584 -6.958 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -11.210 -12.213 -5.378 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -11.037 -11.068 -6.729 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -10.523 -13.251 -8.871 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -9.541 -11.772 -8.749 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -8.757 -13.368 -8.692 1.00 0.00 H new ATOM 1013 N LEU A 75 -7.264 -10.253 -6.735 1.00 0.00 N ATOM 1014 CA LEU A 75 -7.018 -8.842 -6.975 1.00 0.00 C ATOM 1015 C LEU A 75 -7.725 -8.416 -8.264 1.00 0.00 C ATOM 1016 O LEU A 75 -7.667 -9.122 -9.270 1.00 0.00 O ATOM 1017 CB LEU A 75 -5.515 -8.553 -6.975 1.00 0.00 C ATOM 1018 CG LEU A 75 -5.019 -7.584 -5.900 1.00 0.00 C ATOM 1019 CD1 LEU A 75 -5.271 -6.132 -6.312 1.00 0.00 C ATOM 1020 CD2 LEU A 75 -5.638 -7.909 -4.540 1.00 0.00 C ATOM 0 H LEU A 75 -6.442 -10.851 -6.824 1.00 0.00 H new ATOM 0 HA LEU A 75 -7.436 -8.240 -6.168 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -4.983 -9.497 -6.858 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -5.242 -8.152 -7.951 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.941 -7.708 -5.800 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -4.909 -5.464 -5.530 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -4.744 -5.921 -7.242 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -6.340 -5.975 -6.457 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -5.268 -7.205 -3.794 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -6.723 -7.831 -4.606 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -5.364 -8.923 -4.249 1.00 0.00 H new ATOM 1031 N GLU A 76 -8.378 -7.266 -8.190 1.00 0.00 N ATOM 1032 CA GLU A 76 -9.097 -6.739 -9.338 1.00 0.00 C ATOM 1033 C GLU A 76 -8.839 -5.237 -9.482 1.00 0.00 C ATOM 1034 O GLU A 76 -8.562 -4.555 -8.496 1.00 0.00 O ATOM 1035 CB GLU A 76 -10.595 -7.031 -9.229 1.00 0.00 C ATOM 1036 CG GLU A 76 -11.041 -8.014 -10.313 1.00 0.00 C ATOM 1037 CD GLU A 76 -12.542 -7.887 -10.584 1.00 0.00 C ATOM 1038 OE1 GLU A 76 -13.306 -7.975 -9.598 1.00 0.00 O ATOM 1039 OE2 GLU A 76 -12.891 -7.704 -11.769 1.00 0.00 O ATOM 0 H GLU A 76 -8.425 -6.684 -7.353 1.00 0.00 H new ATOM 0 HA GLU A 76 -8.728 -7.239 -10.234 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -10.818 -7.443 -8.245 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -11.158 -6.102 -9.321 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -10.485 -7.825 -11.231 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -10.809 -9.033 -10.003 1.00 0.00 H new ATOM 1044 N ALA A 77 -8.941 -4.768 -10.716 1.00 0.00 N ATOM 1045 CA ALA A 77 -8.723 -3.359 -11.001 1.00 0.00 C ATOM 1046 C ALA A 77 -9.756 -2.523 -10.242 1.00 0.00 C ATOM 1047 O ALA A 77 -10.954 -2.794 -10.317 1.00 0.00 O ATOM 1048 CB ALA A 77 -8.783 -3.128 -12.512 1.00 0.00 C ATOM 0 H ALA A 77 -9.172 -5.337 -11.530 1.00 0.00 H new ATOM 0 HA ALA A 77 -7.735 -3.048 -10.663 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -8.620 -2.072 -12.725 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -8.010 -3.721 -13.002 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -9.762 -3.427 -12.887 1.00 0.00 H new ATOM 1054 N GLY A 78 -9.254 -1.527 -9.527 1.00 0.00 N ATOM 1055 CA GLY A 78 -10.119 -0.651 -8.756 1.00 0.00 C ATOM 1056 C GLY A 78 -10.679 -1.374 -7.529 1.00 0.00 C ATOM 1057 O GLY A 78 -11.893 -1.486 -7.370 1.00 0.00 O ATOM 0 H GLY A 78 -8.260 -1.307 -9.465 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -9.561 0.230 -8.440 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -10.940 -0.301 -9.382 1.00 0.00 H new ATOM 1061 N CYS A 79 -9.766 -1.845 -6.693 1.00 0.00 N ATOM 1062 CA CYS A 79 -10.153 -2.555 -5.485 1.00 0.00 C ATOM 1063 C CYS A 79 -9.238 -2.099 -4.346 1.00 0.00 C ATOM 1064 O CYS A 79 -8.311 -1.320 -4.564 1.00 0.00 O ATOM 1065 CB CYS A 79 -10.108 -4.072 -5.681 1.00 0.00 C ATOM 1066 SG CYS A 79 -11.768 -4.695 -6.130 1.00 0.00 S ATOM 0 H CYS A 79 -8.759 -1.749 -6.828 1.00 0.00 H new ATOM 0 HA CYS A 79 -11.187 -2.318 -5.236 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -9.392 -4.325 -6.463 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -9.765 -4.555 -4.766 1.00 0.00 H new ATOM 0 HG CYS A 79 -11.718 -5.983 -6.296 1.00 0.00 H new ATOM 1071 N VAL A 80 -9.532 -2.603 -3.156 1.00 0.00 N ATOM 1072 CA VAL A 80 -8.747 -2.257 -1.983 1.00 0.00 C ATOM 1073 C VAL A 80 -7.834 -3.429 -1.622 1.00 0.00 C ATOM 1074 O VAL A 80 -8.207 -4.588 -1.795 1.00 0.00 O ATOM 1075 CB VAL A 80 -9.675 -1.846 -0.837 1.00 0.00 C ATOM 1076 CG1 VAL A 80 -10.571 -3.011 -0.413 1.00 0.00 C ATOM 1077 CG2 VAL A 80 -8.873 -1.310 0.351 1.00 0.00 C ATOM 0 H VAL A 80 -10.302 -3.248 -2.979 1.00 0.00 H new ATOM 0 HA VAL A 80 -8.107 -1.399 -2.190 1.00 0.00 H new ATOM 0 HB VAL A 80 -10.318 -1.043 -1.197 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -11.220 -2.693 0.402 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -11.180 -3.328 -1.259 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -9.952 -3.844 -0.080 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -9.555 -1.025 1.152 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -8.195 -2.084 0.711 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -8.297 -0.439 0.038 1.00 0.00 H new ATOM 1087 N VAL A 81 -6.653 -3.088 -1.127 1.00 0.00 N ATOM 1088 CA VAL A 81 -5.683 -4.097 -0.740 1.00 0.00 C ATOM 1089 C VAL A 81 -5.274 -3.874 0.717 1.00 0.00 C ATOM 1090 O VAL A 81 -5.413 -4.770 1.549 1.00 0.00 O ATOM 1091 CB VAL A 81 -4.495 -4.079 -1.704 1.00 0.00 C ATOM 1092 CG1 VAL A 81 -3.447 -5.117 -1.302 1.00 0.00 C ATOM 1093 CG2 VAL A 81 -4.956 -4.294 -3.146 1.00 0.00 C ATOM 0 H VAL A 81 -6.346 -2.126 -0.985 1.00 0.00 H new ATOM 0 HA VAL A 81 -6.122 -5.093 -0.805 1.00 0.00 H new ATOM 0 HB VAL A 81 -4.030 -3.095 -1.645 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -2.614 -5.083 -2.004 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -3.085 -4.898 -0.297 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -3.894 -6.111 -1.318 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -4.092 -4.277 -3.811 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -5.457 -5.258 -3.228 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -5.647 -3.500 -3.429 1.00 0.00 H new ATOM 1103 N ALA A 82 -4.779 -2.674 0.982 1.00 0.00 N ATOM 1104 CA ALA A 82 -4.348 -2.321 2.324 1.00 0.00 C ATOM 1105 C ALA A 82 -4.637 -0.840 2.575 1.00 0.00 C ATOM 1106 O ALA A 82 -5.122 -0.140 1.687 1.00 0.00 O ATOM 1107 CB ALA A 82 -2.867 -2.663 2.492 1.00 0.00 C ATOM 0 H ALA A 82 -4.667 -1.933 0.290 1.00 0.00 H new ATOM 0 HA ALA A 82 -4.901 -2.895 3.068 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -2.544 -2.398 3.499 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -2.720 -3.731 2.333 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -2.280 -2.104 1.764 1.00 0.00 H new ATOM 1113 N ARG A 83 -4.326 -0.407 3.788 1.00 0.00 N ATOM 1114 CA ARG A 83 -4.546 0.980 4.166 1.00 0.00 C ATOM 1115 C ARG A 83 -3.209 1.706 4.320 1.00 0.00 C ATOM 1116 O ARG A 83 -2.152 1.077 4.307 1.00 0.00 O ATOM 1117 CB ARG A 83 -5.325 1.075 5.480 1.00 0.00 C ATOM 1118 CG ARG A 83 -6.766 1.522 5.232 1.00 0.00 C ATOM 1119 CD ARG A 83 -6.874 3.048 5.233 1.00 0.00 C ATOM 1120 NE ARG A 83 -7.921 3.481 6.187 1.00 0.00 N ATOM 1121 CZ ARG A 83 -9.219 3.165 6.072 1.00 0.00 C ATOM 1122 NH1 ARG A 83 -9.637 2.413 5.043 1.00 0.00 N ATOM 1123 NH2 ARG A 83 -10.098 3.601 6.984 1.00 0.00 N ATOM 0 H ARG A 83 -3.924 -0.991 4.521 1.00 0.00 H new ATOM 0 HA ARG A 83 -5.130 1.451 3.375 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -5.322 0.106 5.979 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -4.832 1.780 6.149 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -7.113 1.130 4.276 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -7.417 1.107 6.002 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -5.916 3.488 5.508 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -7.113 3.405 4.231 1.00 0.00 H new ATOM 0 HE ARG A 83 -7.637 4.055 6.981 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -8.968 2.082 4.348 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -10.624 2.172 4.955 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -9.780 4.173 7.766 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -11.085 3.361 6.896 1.00 0.00 H new ATOM 1134 N LEU A 84 -3.298 3.021 4.461 1.00 0.00 N ATOM 1135 CA LEU A 84 -2.108 3.839 4.617 1.00 0.00 C ATOM 1136 C LEU A 84 -2.328 4.840 5.754 1.00 0.00 C ATOM 1137 O LEU A 84 -3.203 5.699 5.668 1.00 0.00 O ATOM 1138 CB LEU A 84 -1.731 4.494 3.286 1.00 0.00 C ATOM 1139 CG LEU A 84 -0.325 5.095 3.209 1.00 0.00 C ATOM 1140 CD1 LEU A 84 -0.234 6.384 4.028 1.00 0.00 C ATOM 1141 CD2 LEU A 84 0.731 4.072 3.632 1.00 0.00 C ATOM 0 H LEU A 84 -4.176 3.540 4.470 1.00 0.00 H new ATOM 0 HA LEU A 84 -1.254 3.221 4.896 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -1.830 3.749 2.496 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -2.454 5.282 3.074 1.00 0.00 H new ATOM 0 HG LEU A 84 -0.122 5.358 2.171 1.00 0.00 H new ATOM 0 HD11 LEU A 84 0.775 6.790 3.956 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.947 7.112 3.641 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.465 6.169 5.071 1.00 0.00 H new ATOM 0 HD21 LEU A 84 1.721 4.524 3.568 1.00 0.00 H new ATOM 0 HD22 LEU A 84 0.541 3.756 4.658 1.00 0.00 H new ATOM 0 HD23 LEU A 84 0.684 3.206 2.971 1.00 0.00 H new ATOM 1152 N GLU A 85 -1.518 4.694 6.792 1.00 0.00 N ATOM 1153 CA GLU A 85 -1.613 5.574 7.944 1.00 0.00 C ATOM 1154 C GLU A 85 -0.569 6.688 7.848 1.00 0.00 C ATOM 1155 O GLU A 85 0.573 6.512 8.269 1.00 0.00 O ATOM 1156 CB GLU A 85 -1.459 4.788 9.248 1.00 0.00 C ATOM 1157 CG GLU A 85 -2.614 5.082 10.206 1.00 0.00 C ATOM 1158 CD GLU A 85 -3.028 3.822 10.969 1.00 0.00 C ATOM 1159 OE1 GLU A 85 -2.961 2.738 10.352 1.00 0.00 O ATOM 1160 OE2 GLU A 85 -3.404 3.972 12.152 1.00 0.00 O ATOM 0 H GLU A 85 -0.793 3.980 6.859 1.00 0.00 H new ATOM 0 HA GLU A 85 -2.603 6.030 7.948 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -1.425 3.720 9.031 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -0.513 5.047 9.723 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -2.317 5.858 10.912 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -3.466 5.469 9.647 1.00 0.00 H new