USER MOD reduce.3.24.130724 H: found=0, std=0, add=524, rem=0, adj=13 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 Single : A 22 SER OG : rot 61:sc= -0.115 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= 0.00375 USER MOD Single : A 30 GLN : amide:sc= 0 K(o=0,f=-0.5) USER MOD Single : A 31 TYR OH : rot 161:sc= 0.432 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HD1:sc= -0.215 X(o=-0.22,f=-0.25) USER MOD Single : A 43 SER OG : rot 180:sc= -0.846 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl -173:sc= -2.38 (180deg=-2.63) USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 154:sc= -0.0582 (180deg=-0.472) 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 180:sc= 0.00741 USER MOD Single : A 58 ASN : amide:sc= -0.0922 X(o=-0.092,f=-0.59) USER MOD Single : A 60 GLN : amide:sc= -0.116 K(o=-0.12,f=-1.5!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 180:sc= -1.14 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 CYS SG : rot 20:sc= -0.196 USER MOD ----------------------------------------------------------------- ATOM 214 N VAL A 19 -5.912 4.996 1.372 1.00 0.00 N ATOM 215 CA VAL A 19 -6.353 3.670 0.974 1.00 0.00 C ATOM 216 C VAL A 19 -5.543 3.211 -0.240 1.00 0.00 C ATOM 217 O VAL A 19 -5.551 3.867 -1.281 1.00 0.00 O ATOM 218 CB VAL A 19 -7.862 3.676 0.717 1.00 0.00 C ATOM 219 CG1 VAL A 19 -8.243 4.763 -0.289 1.00 0.00 C ATOM 220 CG2 VAL A 19 -8.344 2.302 0.248 1.00 0.00 C ATOM 0 HA VAL A 19 -6.175 2.952 1.775 1.00 0.00 H new ATOM 0 HB VAL A 19 -8.361 3.902 1.659 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -9.320 4.745 -0.453 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -7.952 5.738 0.101 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -7.729 4.582 -1.233 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -9.419 2.334 0.073 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -7.833 2.033 -0.677 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -8.123 1.558 1.014 1.00 0.00 H new ATOM 230 N LEU A 20 -4.861 2.088 -0.066 1.00 0.00 N ATOM 231 CA LEU A 20 -4.047 1.533 -1.134 1.00 0.00 C ATOM 232 C LEU A 20 -4.915 0.638 -2.019 1.00 0.00 C ATOM 233 O LEU A 20 -5.035 -0.561 -1.769 1.00 0.00 O ATOM 234 CB LEU A 20 -2.819 0.824 -0.558 1.00 0.00 C ATOM 235 CG LEU A 20 -1.734 1.730 0.026 1.00 0.00 C ATOM 236 CD1 LEU A 20 -1.075 1.080 1.245 1.00 0.00 C ATOM 237 CD2 LEU A 20 -0.708 2.116 -1.042 1.00 0.00 C ATOM 0 H LEU A 20 -4.856 1.547 0.799 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.658 2.329 -1.770 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.152 0.140 0.222 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.372 0.217 -1.345 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.206 2.651 0.367 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.307 1.745 1.641 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.828 0.898 2.012 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.620 0.134 0.951 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.052 2.760 -0.600 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.236 1.216 -1.436 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.208 2.647 -1.852 1.00 0.00 H new ATOM 248 N ARG A 21 -5.499 1.254 -3.038 1.00 0.00 N ATOM 249 CA ARG A 21 -6.353 0.528 -3.961 1.00 0.00 C ATOM 250 C ARG A 21 -5.506 -0.198 -5.008 1.00 0.00 C ATOM 251 O ARG A 21 -4.317 0.082 -5.153 1.00 0.00 O ATOM 252 CB ARG A 21 -7.327 1.472 -4.669 1.00 0.00 C ATOM 253 CG ARG A 21 -8.506 1.826 -3.759 1.00 0.00 C ATOM 254 CD ARG A 21 -9.696 2.332 -4.577 1.00 0.00 C ATOM 255 NE ARG A 21 -10.927 2.293 -3.756 1.00 0.00 N ATOM 256 CZ ARG A 21 -12.161 2.489 -4.242 1.00 0.00 C ATOM 257 NH1 ARG A 21 -12.335 2.740 -5.546 1.00 0.00 N ATOM 258 NH2 ARG A 21 -13.219 2.434 -3.422 1.00 0.00 N ATOM 0 H ARG A 21 -5.397 2.248 -3.244 1.00 0.00 H new ATOM 0 HA ARG A 21 -6.924 -0.198 -3.383 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -6.806 2.382 -4.966 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -7.695 1.003 -5.582 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -8.802 0.949 -3.183 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -8.201 2.589 -3.043 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -9.508 3.350 -4.917 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -9.823 1.717 -5.468 1.00 0.00 H new ATOM 0 HE ARG A 21 -10.830 2.105 -2.758 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -11.529 2.782 -6.169 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -13.274 2.889 -5.916 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -13.085 2.243 -2.429 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -14.158 2.583 -3.791 1.00 0.00 H new ATOM 269 N SER A 22 -6.151 -1.116 -5.712 1.00 0.00 N ATOM 270 CA SER A 22 -5.472 -1.884 -6.741 1.00 0.00 C ATOM 271 C SER A 22 -5.451 -1.097 -8.053 1.00 0.00 C ATOM 272 O SER A 22 -6.497 -0.853 -8.651 1.00 0.00 O ATOM 273 CB SER A 22 -6.144 -3.243 -6.949 1.00 0.00 C ATOM 274 OG SER A 22 -5.892 -3.770 -8.249 1.00 0.00 O ATOM 0 H SER A 22 -7.137 -1.345 -5.590 1.00 0.00 H new ATOM 0 HA SER A 22 -4.448 -2.062 -6.414 1.00 0.00 H new ATOM 0 HB2 SER A 22 -5.783 -3.945 -6.197 1.00 0.00 H new ATOM 0 HB3 SER A 22 -7.219 -3.142 -6.801 1.00 0.00 H new ATOM 0 HG SER A 22 -4.928 -3.895 -8.370 1.00 0.00 H new ATOM 279 N PRO A 23 -4.215 -0.712 -8.472 1.00 0.00 N ATOM 280 CA PRO A 23 -4.044 0.042 -9.703 1.00 0.00 C ATOM 281 C PRO A 23 -4.217 -0.859 -10.927 1.00 0.00 C ATOM 282 O PRO A 23 -4.234 -0.378 -12.058 1.00 0.00 O ATOM 283 CB PRO A 23 -2.653 0.647 -9.602 1.00 0.00 C ATOM 284 CG PRO A 23 -1.922 -0.162 -8.544 1.00 0.00 C ATOM 285 CD PRO A 23 -2.953 -0.984 -7.790 1.00 0.00 C ATOM 0 HA PRO A 23 -4.796 0.822 -9.827 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -2.135 0.596 -10.560 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -2.704 1.699 -9.323 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -1.180 -0.812 -9.006 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -1.387 0.498 -7.861 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -2.709 -2.046 -7.817 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -3.000 -0.694 -6.740 1.00 0.00 H new ATOM 290 N SER A 24 -4.340 -2.150 -10.658 1.00 0.00 N ATOM 291 CA SER A 24 -4.512 -3.123 -11.724 1.00 0.00 C ATOM 292 C SER A 24 -4.890 -4.484 -11.136 1.00 0.00 C ATOM 293 O SER A 24 -4.573 -4.775 -9.984 1.00 0.00 O ATOM 294 CB SER A 24 -3.240 -3.245 -12.568 1.00 0.00 C ATOM 295 OG SER A 24 -3.533 -3.409 -13.953 1.00 0.00 O ATOM 0 H SER A 24 -4.324 -2.545 -9.718 1.00 0.00 H new ATOM 0 HA SER A 24 -5.317 -2.779 -12.374 1.00 0.00 H new ATOM 0 HB2 SER A 24 -2.626 -2.355 -12.430 1.00 0.00 H new ATOM 0 HB3 SER A 24 -2.653 -4.094 -12.218 1.00 0.00 H new ATOM 0 HG SER A 24 -2.696 -3.481 -14.458 1.00 0.00 H new ATOM 300 N ALA A 25 -5.563 -5.279 -11.954 1.00 0.00 N ATOM 301 CA ALA A 25 -5.989 -6.602 -11.528 1.00 0.00 C ATOM 302 C ALA A 25 -4.756 -7.463 -11.246 1.00 0.00 C ATOM 303 O ALA A 25 -3.632 -7.059 -11.538 1.00 0.00 O ATOM 304 CB ALA A 25 -6.896 -7.215 -12.597 1.00 0.00 C ATOM 0 H ALA A 25 -5.824 -5.033 -12.909 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.567 -6.541 -10.606 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -7.216 -8.207 -12.278 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -7.771 -6.580 -12.740 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -6.349 -7.295 -13.536 1.00 0.00 H new ATOM 310 N GLY A 26 -5.009 -8.636 -10.682 1.00 0.00 N ATOM 311 CA GLY A 26 -3.934 -9.557 -10.358 1.00 0.00 C ATOM 312 C GLY A 26 -4.386 -10.582 -9.315 1.00 0.00 C ATOM 313 O GLY A 26 -5.516 -11.067 -9.365 1.00 0.00 O ATOM 0 H GLY A 26 -5.943 -8.969 -10.442 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -3.607 -10.072 -11.261 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -3.076 -9.001 -9.979 1.00 0.00 H new ATOM 317 N LYS A 27 -3.481 -10.881 -8.395 1.00 0.00 N ATOM 318 CA LYS A 27 -3.773 -11.840 -7.342 1.00 0.00 C ATOM 319 C LYS A 27 -2.830 -11.597 -6.162 1.00 0.00 C ATOM 320 O LYS A 27 -1.610 -11.651 -6.317 1.00 0.00 O ATOM 321 CB LYS A 27 -3.720 -13.268 -7.889 1.00 0.00 C ATOM 322 CG LYS A 27 -4.969 -14.056 -7.486 1.00 0.00 C ATOM 323 CD LYS A 27 -5.355 -15.064 -8.571 1.00 0.00 C ATOM 324 CE LYS A 27 -6.662 -15.776 -8.217 1.00 0.00 C ATOM 325 NZ LYS A 27 -7.293 -16.336 -9.433 1.00 0.00 N ATOM 0 H LYS A 27 -2.545 -10.477 -8.356 1.00 0.00 H new ATOM 0 HA LYS A 27 -4.789 -11.703 -6.972 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -3.637 -13.242 -8.976 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -2.830 -13.773 -7.513 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -4.786 -14.579 -6.547 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -5.797 -13.369 -7.312 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -5.463 -14.551 -9.527 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -4.558 -15.798 -8.691 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -6.466 -16.574 -7.501 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -7.345 -15.077 -7.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -8.179 -16.816 -9.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -7.498 -15.568 -10.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -6.646 -17.019 -9.877 1.00 0.00 H new ATOM 335 N LEU A 28 -3.430 -11.336 -5.011 1.00 0.00 N ATOM 336 CA LEU A 28 -2.659 -11.085 -3.804 1.00 0.00 C ATOM 337 C LEU A 28 -1.893 -12.353 -3.422 1.00 0.00 C ATOM 338 O LEU A 28 -2.313 -13.461 -3.752 1.00 0.00 O ATOM 339 CB LEU A 28 -3.563 -10.554 -2.691 1.00 0.00 C ATOM 340 CG LEU A 28 -2.855 -9.861 -1.525 1.00 0.00 C ATOM 341 CD1 LEU A 28 -1.999 -8.694 -2.019 1.00 0.00 C ATOM 342 CD2 LEU A 28 -3.859 -9.422 -0.456 1.00 0.00 C ATOM 0 H LEU A 28 -4.442 -11.293 -4.887 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.919 -10.305 -3.980 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.271 -9.851 -3.130 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.144 -11.386 -2.294 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.182 -10.580 -1.059 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.507 -8.219 -1.170 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.246 -9.064 -2.715 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.633 -7.966 -2.525 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.329 -8.932 0.361 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -4.575 -8.726 -0.893 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -4.389 -10.295 -0.074 1.00 0.00 H new ATOM 353 N THR A 29 -0.782 -12.148 -2.729 1.00 0.00 N ATOM 354 CA THR A 29 0.048 -13.260 -2.298 1.00 0.00 C ATOM 355 C THR A 29 0.370 -13.138 -0.807 1.00 0.00 C ATOM 356 O THR A 29 -0.116 -13.926 0.003 1.00 0.00 O ATOM 357 CB THR A 29 1.291 -13.297 -3.188 1.00 0.00 C ATOM 358 OG1 THR A 29 1.905 -12.027 -2.978 1.00 0.00 O ATOM 359 CG2 THR A 29 0.945 -13.302 -4.678 1.00 0.00 C ATOM 0 H THR A 29 -0.437 -11.228 -2.455 1.00 0.00 H new ATOM 0 HA THR A 29 -0.475 -14.210 -2.409 1.00 0.00 H new ATOM 0 HB THR A 29 1.882 -14.182 -2.950 1.00 0.00 H new ATOM 0 HG1 THR A 29 2.721 -11.965 -3.517 1.00 0.00 H new ATOM 0 HG21 THR A 29 1.863 -13.329 -5.265 1.00 0.00 H new ATOM 0 HG22 THR A 29 0.342 -14.180 -4.908 1.00 0.00 H new ATOM 0 HG23 THR A 29 0.383 -12.401 -4.924 1.00 0.00 H new ATOM 367 N GLN A 30 1.187 -12.145 -0.491 1.00 0.00 N ATOM 368 CA GLN A 30 1.581 -11.910 0.888 1.00 0.00 C ATOM 369 C GLN A 30 2.229 -10.531 1.027 1.00 0.00 C ATOM 370 O GLN A 30 2.519 -9.874 0.029 1.00 0.00 O ATOM 371 CB GLN A 30 2.520 -13.010 1.386 1.00 0.00 C ATOM 372 CG GLN A 30 3.828 -13.015 0.592 1.00 0.00 C ATOM 373 CD GLN A 30 4.937 -13.731 1.366 1.00 0.00 C ATOM 374 OE1 GLN A 30 4.692 -14.524 2.261 1.00 0.00 O ATOM 375 NE2 GLN A 30 6.166 -13.408 0.974 1.00 0.00 N ATOM 0 H GLN A 30 1.587 -11.493 -1.166 1.00 0.00 H new ATOM 0 HA GLN A 30 0.686 -11.934 1.510 1.00 0.00 H new ATOM 0 HB2 GLN A 30 2.733 -12.859 2.444 1.00 0.00 H new ATOM 0 HB3 GLN A 30 2.031 -13.980 1.294 1.00 0.00 H new ATOM 0 HG2 GLN A 30 3.673 -13.508 -0.368 1.00 0.00 H new ATOM 0 HG3 GLN A 30 4.132 -11.990 0.379 1.00 0.00 H new ATOM 0 HE21 GLN A 30 6.300 -12.737 0.218 1.00 0.00 H new ATOM 0 HE22 GLN A 30 6.974 -13.832 1.429 1.00 0.00 H new ATOM 382 N TYR A 31 2.437 -10.133 2.274 1.00 0.00 N ATOM 383 CA TYR A 31 3.046 -8.845 2.556 1.00 0.00 C ATOM 384 C TYR A 31 4.529 -9.003 2.899 1.00 0.00 C ATOM 385 O TYR A 31 4.989 -10.106 3.189 1.00 0.00 O ATOM 386 CB TYR A 31 2.309 -8.289 3.776 1.00 0.00 C ATOM 387 CG TYR A 31 0.809 -8.083 3.556 1.00 0.00 C ATOM 388 CD1 TYR A 31 0.356 -6.960 2.894 1.00 0.00 C ATOM 389 CD2 TYR A 31 -0.091 -9.021 4.020 1.00 0.00 C ATOM 390 CE1 TYR A 31 -1.057 -6.766 2.687 1.00 0.00 C ATOM 391 CE2 TYR A 31 -1.503 -8.827 3.813 1.00 0.00 C ATOM 392 CZ TYR A 31 -1.916 -7.709 3.156 1.00 0.00 C ATOM 393 OH TYR A 31 -3.249 -7.527 2.961 1.00 0.00 O ATOM 0 H TYR A 31 2.194 -10.680 3.100 1.00 0.00 H new ATOM 0 HA TYR A 31 2.975 -8.188 1.689 1.00 0.00 H new ATOM 0 HB2 TYR A 31 2.453 -8.969 4.616 1.00 0.00 H new ATOM 0 HB3 TYR A 31 2.759 -7.337 4.057 1.00 0.00 H new ATOM 0 HD1 TYR A 31 1.061 -6.226 2.531 1.00 0.00 H new ATOM 0 HD2 TYR A 31 0.263 -9.900 4.538 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -1.425 -5.891 2.171 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -2.218 -9.553 4.171 1.00 0.00 H new ATOM 0 HH TYR A 31 -3.714 -8.383 3.063 1.00 0.00 H new ATOM 402 N THR A 32 5.235 -7.882 2.857 1.00 0.00 N ATOM 403 CA THR A 32 6.656 -7.882 3.159 1.00 0.00 C ATOM 404 C THR A 32 6.950 -6.960 4.344 1.00 0.00 C ATOM 405 O THR A 32 8.107 -6.754 4.705 1.00 0.00 O ATOM 406 CB THR A 32 7.411 -7.493 1.886 1.00 0.00 C ATOM 407 OG1 THR A 32 7.135 -6.105 1.729 1.00 0.00 O ATOM 408 CG2 THR A 32 6.814 -8.136 0.633 1.00 0.00 C ATOM 0 H THR A 32 4.849 -6.968 2.619 1.00 0.00 H new ATOM 0 HA THR A 32 6.994 -8.872 3.465 1.00 0.00 H new ATOM 0 HB THR A 32 8.457 -7.784 1.981 1.00 0.00 H new ATOM 0 HG1 THR A 32 7.588 -5.770 0.927 1.00 0.00 H new ATOM 0 HG21 THR A 32 7.386 -7.828 -0.242 1.00 0.00 H new ATOM 0 HG22 THR A 32 6.852 -9.221 0.728 1.00 0.00 H new ATOM 0 HG23 THR A 32 5.778 -7.818 0.519 1.00 0.00 H new ATOM 416 N VAL A 33 5.879 -6.428 4.917 1.00 0.00 N ATOM 417 CA VAL A 33 6.007 -5.532 6.054 1.00 0.00 C ATOM 418 C VAL A 33 5.249 -6.118 7.247 1.00 0.00 C ATOM 419 O VAL A 33 4.352 -6.942 7.073 1.00 0.00 O ATOM 420 CB VAL A 33 5.528 -4.130 5.673 1.00 0.00 C ATOM 421 CG1 VAL A 33 5.849 -3.822 4.208 1.00 0.00 C ATOM 422 CG2 VAL A 33 4.034 -3.966 5.954 1.00 0.00 C ATOM 0 H VAL A 33 4.920 -6.600 4.615 1.00 0.00 H new ATOM 0 HA VAL A 33 7.052 -5.435 6.347 1.00 0.00 H new ATOM 0 HB VAL A 33 6.065 -3.411 6.292 1.00 0.00 H new ATOM 0 HG11 VAL A 33 5.498 -2.820 3.962 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.926 -3.878 4.052 1.00 0.00 H new ATOM 0 HG13 VAL A 33 5.351 -4.549 3.566 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.719 -2.961 5.674 1.00 0.00 H new ATOM 0 HG22 VAL A 33 3.472 -4.697 5.373 1.00 0.00 H new ATOM 0 HG23 VAL A 33 3.844 -4.123 7.016 1.00 0.00 H new ATOM 432 N GLU A 34 5.637 -5.671 8.432 1.00 0.00 N ATOM 433 CA GLU A 34 5.005 -6.141 9.654 1.00 0.00 C ATOM 434 C GLU A 34 3.825 -5.240 10.021 1.00 0.00 C ATOM 435 O GLU A 34 3.608 -4.207 9.390 1.00 0.00 O ATOM 436 CB GLU A 34 6.016 -6.215 10.800 1.00 0.00 C ATOM 437 CG GLU A 34 6.499 -7.652 11.013 1.00 0.00 C ATOM 438 CD GLU A 34 6.179 -8.133 12.430 1.00 0.00 C ATOM 439 OE1 GLU A 34 6.703 -7.503 13.374 1.00 0.00 O ATOM 440 OE2 GLU A 34 5.421 -9.121 12.537 1.00 0.00 O ATOM 0 H GLU A 34 6.381 -4.988 8.573 1.00 0.00 H new ATOM 0 HA GLU A 34 4.627 -7.149 9.481 1.00 0.00 H new ATOM 0 HB2 GLU A 34 6.867 -5.570 10.581 1.00 0.00 H new ATOM 0 HB3 GLU A 34 5.560 -5.841 11.717 1.00 0.00 H new ATOM 0 HG2 GLU A 34 6.025 -8.311 10.286 1.00 0.00 H new ATOM 0 HG3 GLU A 34 7.574 -7.708 10.840 1.00 0.00 H new ATOM 445 N ASP A 35 3.093 -5.663 11.041 1.00 0.00 N ATOM 446 CA ASP A 35 1.940 -4.908 11.500 1.00 0.00 C ATOM 447 C ASP A 35 2.288 -3.418 11.524 1.00 0.00 C ATOM 448 O ASP A 35 3.316 -3.026 12.076 1.00 0.00 O ATOM 449 CB ASP A 35 1.538 -5.322 12.917 1.00 0.00 C ATOM 450 CG ASP A 35 0.042 -5.223 13.219 1.00 0.00 C ATOM 451 OD1 ASP A 35 -0.690 -6.128 12.766 1.00 0.00 O ATOM 452 OD2 ASP A 35 -0.336 -4.244 13.899 1.00 0.00 O ATOM 0 H ASP A 35 3.276 -6.520 11.563 1.00 0.00 H new ATOM 0 HA ASP A 35 1.114 -5.108 10.818 1.00 0.00 H new ATOM 0 HB2 ASP A 35 1.860 -6.350 13.084 1.00 0.00 H new ATOM 0 HB3 ASP A 35 2.079 -4.699 13.629 1.00 0.00 H new ATOM 456 N GLY A 36 1.414 -2.628 10.919 1.00 0.00 N ATOM 457 CA GLY A 36 1.617 -1.190 10.864 1.00 0.00 C ATOM 458 C GLY A 36 3.021 -0.854 10.358 1.00 0.00 C ATOM 459 O GLY A 36 3.641 0.102 10.823 1.00 0.00 O ATOM 0 H GLY A 36 0.563 -2.956 10.462 1.00 0.00 H new ATOM 0 HA2 GLY A 36 0.872 -0.739 10.208 1.00 0.00 H new ATOM 0 HA3 GLY A 36 1.471 -0.760 11.855 1.00 0.00 H new ATOM 463 N GLY A 37 3.482 -1.657 9.410 1.00 0.00 N ATOM 464 CA GLY A 37 4.802 -1.456 8.835 1.00 0.00 C ATOM 465 C GLY A 37 4.895 -0.096 8.140 1.00 0.00 C ATOM 466 O GLY A 37 4.042 0.248 7.323 1.00 0.00 O ATOM 0 H GLY A 37 2.965 -2.448 9.026 1.00 0.00 H new ATOM 0 HA2 GLY A 37 5.558 -1.521 9.618 1.00 0.00 H new ATOM 0 HA3 GLY A 37 5.016 -2.250 8.119 1.00 0.00 H new ATOM 470 N HIS A 38 5.940 0.640 8.489 1.00 0.00 N ATOM 471 CA HIS A 38 6.157 1.954 7.907 1.00 0.00 C ATOM 472 C HIS A 38 7.097 1.836 6.707 1.00 0.00 C ATOM 473 O HIS A 38 8.179 1.262 6.815 1.00 0.00 O ATOM 474 CB HIS A 38 6.665 2.938 8.964 1.00 0.00 C ATOM 475 CG HIS A 38 7.473 2.294 10.065 1.00 0.00 C ATOM 476 ND1 HIS A 38 6.911 1.862 11.253 1.00 0.00 N ATOM 477 CD2 HIS A 38 8.805 2.010 10.143 1.00 0.00 C ATOM 478 CE1 HIS A 38 7.871 1.347 12.007 1.00 0.00 C ATOM 479 NE2 HIS A 38 9.044 1.440 11.317 1.00 0.00 N ATOM 0 H HIS A 38 6.645 0.352 9.167 1.00 0.00 H new ATOM 0 HA HIS A 38 5.211 2.356 7.544 1.00 0.00 H new ATOM 0 HB2 HIS A 38 7.276 3.697 8.475 1.00 0.00 H new ATOM 0 HB3 HIS A 38 5.812 3.452 9.407 1.00 0.00 H new ATOM 0 HD2 HIS A 38 9.540 2.214 9.379 1.00 0.00 H new ATOM 0 HE1 HIS A 38 7.747 0.927 12.994 1.00 0.00 H new ATOM 0 HE2 HIS A 38 9.955 1.123 11.649 1.00 0.00 H new ATOM 486 N VAL A 39 6.649 2.388 5.588 1.00 0.00 N ATOM 487 CA VAL A 39 7.437 2.353 4.368 1.00 0.00 C ATOM 488 C VAL A 39 7.526 3.762 3.782 1.00 0.00 C ATOM 489 O VAL A 39 6.909 4.694 4.298 1.00 0.00 O ATOM 490 CB VAL A 39 6.841 1.335 3.391 1.00 0.00 C ATOM 491 CG1 VAL A 39 7.204 -0.094 3.800 1.00 0.00 C ATOM 492 CG2 VAL A 39 5.326 1.506 3.278 1.00 0.00 C ATOM 0 H VAL A 39 5.750 2.862 5.501 1.00 0.00 H new ATOM 0 HA VAL A 39 8.455 2.025 4.579 1.00 0.00 H new ATOM 0 HB VAL A 39 7.272 1.521 2.407 1.00 0.00 H new ATOM 0 HG11 VAL A 39 6.769 -0.797 3.090 1.00 0.00 H new ATOM 0 HG12 VAL A 39 8.288 -0.207 3.804 1.00 0.00 H new ATOM 0 HG13 VAL A 39 6.814 -0.297 4.797 1.00 0.00 H new ATOM 0 HG21 VAL A 39 4.928 0.771 2.578 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.869 1.359 4.257 1.00 0.00 H new ATOM 0 HG23 VAL A 39 5.099 2.510 2.918 1.00 0.00 H new ATOM 502 N GLU A 40 8.300 3.876 2.712 1.00 0.00 N ATOM 503 CA GLU A 40 8.478 5.157 2.051 1.00 0.00 C ATOM 504 C GLU A 40 7.746 5.168 0.707 1.00 0.00 C ATOM 505 O GLU A 40 7.505 4.114 0.120 1.00 0.00 O ATOM 506 CB GLU A 40 9.963 5.478 1.868 1.00 0.00 C ATOM 507 CG GLU A 40 10.618 4.505 0.886 1.00 0.00 C ATOM 508 CD GLU A 40 12.112 4.353 1.180 1.00 0.00 C ATOM 509 OE1 GLU A 40 12.876 5.214 0.694 1.00 0.00 O ATOM 510 OE2 GLU A 40 12.456 3.378 1.882 1.00 0.00 O ATOM 0 H GLU A 40 8.811 3.102 2.287 1.00 0.00 H new ATOM 0 HA GLU A 40 8.047 5.933 2.684 1.00 0.00 H new ATOM 0 HB2 GLU A 40 10.076 6.499 1.503 1.00 0.00 H new ATOM 0 HB3 GLU A 40 10.471 5.426 2.831 1.00 0.00 H new ATOM 0 HG2 GLU A 40 10.130 3.533 0.952 1.00 0.00 H new ATOM 0 HG3 GLU A 40 10.479 4.863 -0.134 1.00 0.00 H new ATOM 515 N ALA A 41 7.413 6.369 0.260 1.00 0.00 N ATOM 516 CA ALA A 41 6.713 6.530 -1.004 1.00 0.00 C ATOM 517 C ALA A 41 7.627 6.085 -2.147 1.00 0.00 C ATOM 518 O ALA A 41 8.440 6.867 -2.637 1.00 0.00 O ATOM 519 CB ALA A 41 6.256 7.983 -1.153 1.00 0.00 C ATOM 0 H ALA A 41 7.615 7.241 0.750 1.00 0.00 H new ATOM 0 HA ALA A 41 5.821 5.904 -1.032 1.00 0.00 H new ATOM 0 HB1 ALA A 41 5.731 8.104 -2.101 1.00 0.00 H new ATOM 0 HB2 ALA A 41 5.587 8.240 -0.332 1.00 0.00 H new ATOM 0 HB3 ALA A 41 7.124 8.641 -1.133 1.00 0.00 H new ATOM 525 N GLY A 42 7.461 4.830 -2.541 1.00 0.00 N ATOM 526 CA GLY A 42 8.261 4.272 -3.618 1.00 0.00 C ATOM 527 C GLY A 42 8.717 2.851 -3.281 1.00 0.00 C ATOM 528 O GLY A 42 9.199 2.128 -4.152 1.00 0.00 O ATOM 0 H GLY A 42 6.784 4.185 -2.134 1.00 0.00 H new ATOM 0 HA2 GLY A 42 7.680 4.262 -4.540 1.00 0.00 H new ATOM 0 HA3 GLY A 42 9.131 4.905 -3.796 1.00 0.00 H new ATOM 532 N SER A 43 8.552 2.495 -2.016 1.00 0.00 N ATOM 533 CA SER A 43 8.942 1.173 -1.554 1.00 0.00 C ATOM 534 C SER A 43 7.835 0.163 -1.862 1.00 0.00 C ATOM 535 O SER A 43 6.851 0.497 -2.520 1.00 0.00 O ATOM 536 CB SER A 43 9.250 1.183 -0.055 1.00 0.00 C ATOM 537 OG SER A 43 10.623 1.459 0.206 1.00 0.00 O ATOM 0 H SER A 43 8.154 3.098 -1.296 1.00 0.00 H new ATOM 0 HA SER A 43 9.849 0.880 -2.082 1.00 0.00 H new ATOM 0 HB2 SER A 43 8.630 1.932 0.438 1.00 0.00 H new ATOM 0 HB3 SER A 43 8.986 0.217 0.376 1.00 0.00 H new ATOM 0 HG SER A 43 10.779 1.458 1.174 1.00 0.00 H new ATOM 542 N SER A 44 8.033 -1.051 -1.372 1.00 0.00 N ATOM 543 CA SER A 44 7.064 -2.113 -1.586 1.00 0.00 C ATOM 544 C SER A 44 6.631 -2.706 -0.244 1.00 0.00 C ATOM 545 O SER A 44 7.468 -2.998 0.608 1.00 0.00 O ATOM 546 CB SER A 44 7.636 -3.206 -2.490 1.00 0.00 C ATOM 547 OG SER A 44 8.670 -3.946 -1.845 1.00 0.00 O ATOM 0 H SER A 44 8.851 -1.324 -0.827 1.00 0.00 H new ATOM 0 HA SER A 44 6.194 -1.686 -2.084 1.00 0.00 H new ATOM 0 HB2 SER A 44 6.837 -3.884 -2.789 1.00 0.00 H new ATOM 0 HB3 SER A 44 8.028 -2.754 -3.401 1.00 0.00 H new ATOM 0 HG SER A 44 9.008 -4.635 -2.454 1.00 0.00 H new ATOM 552 N TYR A 45 5.324 -2.866 -0.098 1.00 0.00 N ATOM 553 CA TYR A 45 4.770 -3.418 1.126 1.00 0.00 C ATOM 554 C TYR A 45 4.070 -4.752 0.857 1.00 0.00 C ATOM 555 O TYR A 45 3.711 -5.467 1.791 1.00 0.00 O ATOM 556 CB TYR A 45 3.737 -2.403 1.618 1.00 0.00 C ATOM 557 CG TYR A 45 2.408 -2.451 0.860 1.00 0.00 C ATOM 558 CD1 TYR A 45 1.520 -3.482 1.090 1.00 0.00 C ATOM 559 CD2 TYR A 45 2.098 -1.462 -0.052 1.00 0.00 C ATOM 560 CE1 TYR A 45 0.269 -3.527 0.377 1.00 0.00 C ATOM 561 CE2 TYR A 45 0.848 -1.508 -0.765 1.00 0.00 C ATOM 562 CZ TYR A 45 -0.005 -2.538 -0.515 1.00 0.00 C ATOM 563 OH TYR A 45 -1.185 -2.580 -1.189 1.00 0.00 O ATOM 0 H TYR A 45 4.633 -2.623 -0.807 1.00 0.00 H new ATOM 0 HA TYR A 45 5.558 -3.598 1.857 1.00 0.00 H new ATOM 0 HB2 TYR A 45 3.546 -2.578 2.677 1.00 0.00 H new ATOM 0 HB3 TYR A 45 4.157 -1.401 1.531 1.00 0.00 H new ATOM 0 HD1 TYR A 45 1.763 -4.255 1.804 1.00 0.00 H new ATOM 0 HD2 TYR A 45 2.793 -0.654 -0.230 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -0.435 -4.328 0.547 1.00 0.00 H new ATOM 0 HE2 TYR A 45 0.593 -0.742 -1.482 1.00 0.00 H new ATOM 0 HH TYR A 45 -1.245 -1.809 -1.791 1.00 0.00 H new ATOM 572 N ALA A 46 3.896 -5.045 -0.423 1.00 0.00 N ATOM 573 CA ALA A 46 3.245 -6.280 -0.826 1.00 0.00 C ATOM 574 C ALA A 46 3.482 -6.513 -2.319 1.00 0.00 C ATOM 575 O ALA A 46 4.085 -5.679 -2.993 1.00 0.00 O ATOM 576 CB ALA A 46 1.757 -6.210 -0.475 1.00 0.00 C ATOM 0 H ALA A 46 4.194 -4.449 -1.195 1.00 0.00 H new ATOM 0 HA ALA A 46 3.667 -7.130 -0.289 1.00 0.00 H new ATOM 0 HB1 ALA A 46 1.268 -7.136 -0.777 1.00 0.00 H new ATOM 0 HB2 ALA A 46 1.643 -6.073 0.600 1.00 0.00 H new ATOM 0 HB3 ALA A 46 1.299 -5.371 -0.998 1.00 0.00 H new ATOM 582 N GLU A 47 2.995 -7.650 -2.793 1.00 0.00 N ATOM 583 CA GLU A 47 3.148 -8.003 -4.195 1.00 0.00 C ATOM 584 C GLU A 47 1.831 -8.551 -4.749 1.00 0.00 C ATOM 585 O GLU A 47 0.849 -8.675 -4.019 1.00 0.00 O ATOM 586 CB GLU A 47 4.284 -9.009 -4.386 1.00 0.00 C ATOM 587 CG GLU A 47 5.538 -8.571 -3.626 1.00 0.00 C ATOM 588 CD GLU A 47 5.604 -9.236 -2.249 1.00 0.00 C ATOM 589 OE1 GLU A 47 4.531 -9.339 -1.616 1.00 0.00 O ATOM 590 OE2 GLU A 47 6.726 -9.627 -1.861 1.00 0.00 O ATOM 0 H GLU A 47 2.494 -8.339 -2.232 1.00 0.00 H new ATOM 0 HA GLU A 47 3.408 -7.102 -4.751 1.00 0.00 H new ATOM 0 HB2 GLU A 47 3.967 -9.992 -4.036 1.00 0.00 H new ATOM 0 HB3 GLU A 47 4.513 -9.107 -5.447 1.00 0.00 H new ATOM 0 HG2 GLU A 47 6.426 -8.830 -4.202 1.00 0.00 H new ATOM 0 HG3 GLU A 47 5.538 -7.487 -3.511 1.00 0.00 H new ATOM 595 N MET A 48 1.854 -8.864 -6.037 1.00 0.00 N ATOM 596 CA MET A 48 0.673 -9.396 -6.698 1.00 0.00 C ATOM 597 C MET A 48 1.057 -10.183 -7.953 1.00 0.00 C ATOM 598 O MET A 48 2.172 -10.054 -8.455 1.00 0.00 O ATOM 599 CB MET A 48 -0.259 -8.245 -7.081 1.00 0.00 C ATOM 600 CG MET A 48 0.425 -7.286 -8.057 1.00 0.00 C ATOM 601 SD MET A 48 -0.566 -5.816 -8.264 1.00 0.00 S ATOM 602 CE MET A 48 -2.119 -6.553 -8.742 1.00 0.00 C ATOM 0 H MET A 48 2.670 -8.760 -6.640 1.00 0.00 H new ATOM 0 HA MET A 48 0.166 -10.071 -6.009 1.00 0.00 H new ATOM 0 HB2 MET A 48 -1.167 -8.643 -7.533 1.00 0.00 H new ATOM 0 HB3 MET A 48 -0.561 -7.703 -6.185 1.00 0.00 H new ATOM 0 HG2 MET A 48 1.414 -7.018 -7.684 1.00 0.00 H new ATOM 0 HG3 MET A 48 0.569 -7.776 -9.020 1.00 0.00 H new ATOM 0 HE1 MET A 48 -2.820 -5.770 -9.032 1.00 0.00 H new ATOM 0 HE2 MET A 48 -1.958 -7.226 -9.584 1.00 0.00 H new ATOM 0 HE3 MET A 48 -2.529 -7.114 -7.902 1.00 0.00 H new ATOM 610 N GLU A 49 0.110 -10.979 -8.425 1.00 0.00 N ATOM 611 CA GLU A 49 0.333 -11.786 -9.612 1.00 0.00 C ATOM 612 C GLU A 49 -0.732 -11.486 -10.668 1.00 0.00 C ATOM 613 O GLU A 49 -1.885 -11.891 -10.525 1.00 0.00 O ATOM 614 CB GLU A 49 0.356 -13.276 -9.265 1.00 0.00 C ATOM 615 CG GLU A 49 0.394 -14.134 -10.532 1.00 0.00 C ATOM 616 CD GLU A 49 0.793 -15.574 -10.207 1.00 0.00 C ATOM 617 OE1 GLU A 49 0.358 -16.056 -9.139 1.00 0.00 O ATOM 618 OE2 GLU A 49 1.523 -16.163 -11.036 1.00 0.00 O ATOM 0 H GLU A 49 -0.814 -11.083 -8.007 1.00 0.00 H new ATOM 0 HA GLU A 49 1.308 -11.527 -10.025 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.226 -13.496 -8.647 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -0.526 -13.530 -8.676 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -0.585 -14.124 -11.012 1.00 0.00 H new ATOM 0 HG3 GLU A 49 1.102 -13.708 -11.243 1.00 0.00 H new ATOM 623 N VAL A 50 -0.310 -10.777 -11.704 1.00 0.00 N ATOM 624 CA VAL A 50 -1.214 -10.416 -12.783 1.00 0.00 C ATOM 625 C VAL A 50 -0.582 -10.803 -14.122 1.00 0.00 C ATOM 626 O VAL A 50 0.621 -10.638 -14.315 1.00 0.00 O ATOM 627 CB VAL A 50 -1.567 -8.931 -12.695 1.00 0.00 C ATOM 628 CG1 VAL A 50 -0.305 -8.072 -12.593 1.00 0.00 C ATOM 629 CG2 VAL A 50 -2.427 -8.500 -13.886 1.00 0.00 C ATOM 0 H VAL A 50 0.647 -10.442 -11.819 1.00 0.00 H new ATOM 0 HA VAL A 50 -2.152 -10.964 -12.696 1.00 0.00 H new ATOM 0 HB VAL A 50 -2.150 -8.779 -11.787 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.585 -7.020 -12.532 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.254 -8.351 -11.700 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.316 -8.232 -13.475 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.664 -7.440 -13.799 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -1.879 -8.675 -14.812 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -3.351 -9.079 -13.896 1.00 0.00 H new ATOM 639 N MET A 51 -1.423 -11.311 -15.011 1.00 0.00 N ATOM 640 CA MET A 51 -0.962 -11.723 -16.326 1.00 0.00 C ATOM 641 C MET A 51 0.128 -12.791 -16.216 1.00 0.00 C ATOM 642 O MET A 51 1.060 -12.818 -17.018 1.00 0.00 O ATOM 643 CB MET A 51 -0.412 -10.509 -17.078 1.00 0.00 C ATOM 644 CG MET A 51 -1.524 -9.790 -17.846 1.00 0.00 C ATOM 645 SD MET A 51 -1.060 -9.603 -19.559 1.00 0.00 S ATOM 646 CE MET A 51 -1.617 -7.934 -19.852 1.00 0.00 C ATOM 0 H MET A 51 -2.420 -11.447 -14.847 1.00 0.00 H new ATOM 0 HA MET A 51 -1.807 -12.147 -16.869 1.00 0.00 H new ATOM 0 HB2 MET A 51 0.052 -9.820 -16.373 1.00 0.00 H new ATOM 0 HB3 MET A 51 0.366 -10.828 -17.771 1.00 0.00 H new ATOM 0 HG2 MET A 51 -2.453 -10.356 -17.772 1.00 0.00 H new ATOM 0 HG3 MET A 51 -1.710 -8.812 -17.402 1.00 0.00 H new ATOM 0 HE1 MET A 51 -1.402 -7.655 -20.884 1.00 0.00 H new ATOM 0 HE2 MET A 51 -2.691 -7.872 -19.675 1.00 0.00 H new ATOM 0 HE3 MET A 51 -1.099 -7.254 -19.176 1.00 0.00 H new ATOM 654 N LYS A 52 -0.025 -13.646 -15.215 1.00 0.00 N ATOM 655 CA LYS A 52 0.934 -14.713 -14.990 1.00 0.00 C ATOM 656 C LYS A 52 2.291 -14.106 -14.629 1.00 0.00 C ATOM 657 O LYS A 52 3.324 -14.763 -14.759 1.00 0.00 O ATOM 658 CB LYS A 52 0.983 -15.654 -16.195 1.00 0.00 C ATOM 659 CG LYS A 52 -0.269 -16.533 -16.256 1.00 0.00 C ATOM 660 CD LYS A 52 -0.515 -17.040 -17.679 1.00 0.00 C ATOM 661 CE LYS A 52 0.149 -18.399 -17.899 1.00 0.00 C ATOM 662 NZ LYS A 52 -0.539 -19.446 -17.109 1.00 0.00 N ATOM 0 H LYS A 52 -0.799 -13.621 -14.551 1.00 0.00 H new ATOM 0 HA LYS A 52 0.625 -15.330 -14.146 1.00 0.00 H new ATOM 0 HB2 LYS A 52 1.068 -15.072 -17.112 1.00 0.00 H new ATOM 0 HB3 LYS A 52 1.871 -16.283 -16.134 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -0.156 -17.380 -15.579 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -1.134 -15.964 -15.914 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -1.587 -17.122 -17.860 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -0.125 -16.320 -18.398 1.00 0.00 H new ATOM 0 HE2 LYS A 52 0.121 -18.657 -18.958 1.00 0.00 H new ATOM 0 HE3 LYS A 52 1.199 -18.348 -17.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -0.403 -20.371 -17.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -0.143 -19.472 -16.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -1.555 -19.231 -17.058 1.00 0.00 H new ATOM 672 N MET A 53 2.246 -12.858 -14.184 1.00 0.00 N ATOM 673 CA MET A 53 3.459 -12.155 -13.804 1.00 0.00 C ATOM 674 C MET A 53 3.367 -11.641 -12.365 1.00 0.00 C ATOM 675 O MET A 53 2.314 -11.172 -11.937 1.00 0.00 O ATOM 676 CB MET A 53 3.685 -10.978 -14.754 1.00 0.00 C ATOM 677 CG MET A 53 3.633 -11.433 -16.214 1.00 0.00 C ATOM 678 SD MET A 53 4.770 -10.468 -17.195 1.00 0.00 S ATOM 679 CE MET A 53 4.525 -11.229 -18.791 1.00 0.00 C ATOM 0 H MET A 53 1.388 -12.316 -14.078 1.00 0.00 H new ATOM 0 HA MET A 53 4.296 -12.851 -13.868 1.00 0.00 H new ATOM 0 HB2 MET A 53 2.926 -10.215 -14.580 1.00 0.00 H new ATOM 0 HB3 MET A 53 4.652 -10.519 -14.547 1.00 0.00 H new ATOM 0 HG2 MET A 53 3.887 -12.491 -16.283 1.00 0.00 H new ATOM 0 HG3 MET A 53 2.620 -11.322 -16.602 1.00 0.00 H new ATOM 0 HE1 MET A 53 5.164 -10.743 -19.528 1.00 0.00 H new ATOM 0 HE2 MET A 53 4.779 -12.287 -18.732 1.00 0.00 H new ATOM 0 HE3 MET A 53 3.482 -11.122 -19.089 1.00 0.00 H new ATOM 687 N ILE A 54 4.484 -11.748 -11.661 1.00 0.00 N ATOM 688 CA ILE A 54 4.542 -11.299 -10.280 1.00 0.00 C ATOM 689 C ILE A 54 5.013 -9.844 -10.240 1.00 0.00 C ATOM 690 O ILE A 54 6.142 -9.542 -10.624 1.00 0.00 O ATOM 691 CB ILE A 54 5.406 -12.247 -9.444 1.00 0.00 C ATOM 692 CG1 ILE A 54 4.973 -13.701 -9.644 1.00 0.00 C ATOM 693 CG2 ILE A 54 5.395 -11.843 -7.969 1.00 0.00 C ATOM 694 CD1 ILE A 54 3.538 -13.917 -9.159 1.00 0.00 C ATOM 0 H ILE A 54 5.355 -12.139 -12.020 1.00 0.00 H new ATOM 0 HA ILE A 54 3.550 -11.326 -9.829 1.00 0.00 H new ATOM 0 HB ILE A 54 6.436 -12.166 -9.791 1.00 0.00 H new ATOM 0 HG12 ILE A 54 5.048 -13.965 -10.699 1.00 0.00 H new ATOM 0 HG13 ILE A 54 5.648 -14.363 -9.101 1.00 0.00 H new ATOM 0 HG21 ILE A 54 6.016 -12.533 -7.398 1.00 0.00 H new ATOM 0 HG22 ILE A 54 5.787 -10.831 -7.866 1.00 0.00 H new ATOM 0 HG23 ILE A 54 4.373 -11.877 -7.590 1.00 0.00 H new ATOM 0 HD11 ILE A 54 3.255 -14.958 -9.312 1.00 0.00 H new ATOM 0 HD12 ILE A 54 3.472 -13.676 -8.098 1.00 0.00 H new ATOM 0 HD13 ILE A 54 2.863 -13.271 -9.721 1.00 0.00 H new ATOM 705 N MET A 55 4.122 -8.980 -9.773 1.00 0.00 N ATOM 706 CA MET A 55 4.432 -7.564 -9.678 1.00 0.00 C ATOM 707 C MET A 55 4.421 -7.097 -8.221 1.00 0.00 C ATOM 708 O MET A 55 3.576 -7.523 -7.436 1.00 0.00 O ATOM 709 CB MET A 55 3.406 -6.762 -10.480 1.00 0.00 C ATOM 710 CG MET A 55 3.694 -5.262 -10.394 1.00 0.00 C ATOM 711 SD MET A 55 3.036 -4.431 -11.831 1.00 0.00 S ATOM 712 CE MET A 55 4.529 -3.690 -12.471 1.00 0.00 C ATOM 0 H MET A 55 3.186 -9.234 -9.457 1.00 0.00 H new ATOM 0 HA MET A 55 5.430 -7.401 -10.084 1.00 0.00 H new ATOM 0 HB2 MET A 55 3.425 -7.080 -11.522 1.00 0.00 H new ATOM 0 HB3 MET A 55 2.404 -6.966 -10.102 1.00 0.00 H new ATOM 0 HG2 MET A 55 3.248 -4.849 -9.489 1.00 0.00 H new ATOM 0 HG3 MET A 55 4.769 -5.093 -10.326 1.00 0.00 H new ATOM 0 HE1 MET A 55 4.297 -3.129 -13.376 1.00 0.00 H new ATOM 0 HE2 MET A 55 4.950 -3.017 -11.724 1.00 0.00 H new ATOM 0 HE3 MET A 55 5.252 -4.472 -12.704 1.00 0.00 H new ATOM 720 N THR A 56 5.369 -6.227 -7.905 1.00 0.00 N ATOM 721 CA THR A 56 5.478 -5.696 -6.557 1.00 0.00 C ATOM 722 C THR A 56 4.515 -4.523 -6.365 1.00 0.00 C ATOM 723 O THR A 56 4.265 -3.762 -7.297 1.00 0.00 O ATOM 724 CB THR A 56 6.942 -5.327 -6.312 1.00 0.00 C ATOM 725 OG1 THR A 56 7.674 -6.273 -7.087 1.00 0.00 O ATOM 726 CG2 THR A 56 7.383 -5.603 -4.873 1.00 0.00 C ATOM 0 H THR A 56 6.069 -5.877 -8.559 1.00 0.00 H new ATOM 0 HA THR A 56 5.186 -6.439 -5.815 1.00 0.00 H new ATOM 0 HB THR A 56 7.093 -4.272 -6.542 1.00 0.00 H new ATOM 0 HG1 THR A 56 8.634 -6.105 -6.987 1.00 0.00 H new ATOM 0 HG21 THR A 56 8.430 -5.323 -4.753 1.00 0.00 H new ATOM 0 HG22 THR A 56 6.771 -5.019 -4.186 1.00 0.00 H new ATOM 0 HG23 THR A 56 7.263 -6.664 -4.653 1.00 0.00 H new ATOM 734 N LEU A 57 4.000 -4.415 -5.149 1.00 0.00 N ATOM 735 CA LEU A 57 3.070 -3.347 -4.822 1.00 0.00 C ATOM 736 C LEU A 57 3.788 -2.289 -3.983 1.00 0.00 C ATOM 737 O LEU A 57 4.364 -2.604 -2.942 1.00 0.00 O ATOM 738 CB LEU A 57 1.816 -3.915 -4.155 1.00 0.00 C ATOM 739 CG LEU A 57 0.549 -3.935 -5.013 1.00 0.00 C ATOM 740 CD1 LEU A 57 -0.573 -4.706 -4.317 1.00 0.00 C ATOM 741 CD2 LEU A 57 0.121 -2.516 -5.392 1.00 0.00 C ATOM 0 H LEU A 57 4.209 -5.049 -4.378 1.00 0.00 H new ATOM 0 HA LEU A 57 2.724 -2.852 -5.729 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.030 -4.935 -3.834 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.612 -3.334 -3.256 1.00 0.00 H new ATOM 0 HG LEU A 57 0.773 -4.462 -5.940 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.461 -4.705 -4.948 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.254 -5.733 -4.142 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.804 -4.230 -3.364 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.782 -2.559 -6.002 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.079 -1.942 -4.487 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.918 -2.034 -5.958 1.00 0.00 H new ATOM 752 N ASN A 58 3.732 -1.057 -4.466 1.00 0.00 N ATOM 753 CA ASN A 58 4.370 0.049 -3.774 1.00 0.00 C ATOM 754 C ASN A 58 3.303 1.055 -3.336 1.00 0.00 C ATOM 755 O ASN A 58 2.152 0.966 -3.758 1.00 0.00 O ATOM 756 CB ASN A 58 5.359 0.775 -4.689 1.00 0.00 C ATOM 757 CG ASN A 58 4.798 0.908 -6.106 1.00 0.00 C ATOM 758 OD1 ASN A 58 3.819 1.593 -6.352 1.00 0.00 O ATOM 759 ND2 ASN A 58 5.472 0.216 -7.020 1.00 0.00 N ATOM 0 H ASN A 58 3.254 -0.800 -5.330 1.00 0.00 H new ATOM 0 HA ASN A 58 4.905 -0.355 -2.914 1.00 0.00 H new ATOM 0 HB2 ASN A 58 5.575 1.764 -4.285 1.00 0.00 H new ATOM 0 HB3 ASN A 58 6.302 0.229 -4.717 1.00 0.00 H new ATOM 0 HD21 ASN A 58 5.177 0.239 -7.996 1.00 0.00 H new ATOM 0 HD22 ASN A 58 6.284 -0.337 -6.745 1.00 0.00 H new ATOM 765 N VAL A 59 3.726 1.989 -2.497 1.00 0.00 N ATOM 766 CA VAL A 59 2.820 3.010 -1.998 1.00 0.00 C ATOM 767 C VAL A 59 2.994 4.287 -2.825 1.00 0.00 C ATOM 768 O VAL A 59 4.104 4.621 -3.232 1.00 0.00 O ATOM 769 CB VAL A 59 3.054 3.231 -0.502 1.00 0.00 C ATOM 770 CG1 VAL A 59 2.934 1.917 0.271 1.00 0.00 C ATOM 771 CG2 VAL A 59 4.410 3.894 -0.251 1.00 0.00 C ATOM 0 H VAL A 59 4.683 2.060 -2.150 1.00 0.00 H new ATOM 0 HA VAL A 59 1.784 2.689 -2.108 1.00 0.00 H new ATOM 0 HB VAL A 59 2.279 3.906 -0.138 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.105 2.102 1.332 1.00 0.00 H new ATOM 0 HG12 VAL A 59 1.936 1.502 0.131 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.676 1.209 -0.098 1.00 0.00 H new ATOM 0 HG21 VAL A 59 4.551 4.040 0.820 1.00 0.00 H new ATOM 0 HG22 VAL A 59 5.204 3.256 -0.638 1.00 0.00 H new ATOM 0 HG23 VAL A 59 4.442 4.860 -0.756 1.00 0.00 H new ATOM 781 N GLN A 60 1.877 4.964 -3.048 1.00 0.00 N ATOM 782 CA GLN A 60 1.891 6.196 -3.820 1.00 0.00 C ATOM 783 C GLN A 60 2.341 7.366 -2.942 1.00 0.00 C ATOM 784 O GLN A 60 2.836 8.371 -3.449 1.00 0.00 O ATOM 785 CB GLN A 60 0.519 6.471 -4.439 1.00 0.00 C ATOM 786 CG GLN A 60 0.455 5.957 -5.879 1.00 0.00 C ATOM 787 CD GLN A 60 1.225 6.882 -6.824 1.00 0.00 C ATOM 788 OE1 GLN A 60 1.594 7.993 -6.484 1.00 0.00 O ATOM 789 NE2 GLN A 60 1.446 6.361 -8.029 1.00 0.00 N ATOM 0 H GLN A 60 0.957 4.683 -2.708 1.00 0.00 H new ATOM 0 HA GLN A 60 2.605 6.083 -4.636 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -0.256 5.990 -3.842 1.00 0.00 H new ATOM 0 HB3 GLN A 60 0.316 7.542 -4.422 1.00 0.00 H new ATOM 0 HG2 GLN A 60 0.872 4.951 -5.929 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -0.585 5.888 -6.199 1.00 0.00 H new ATOM 0 HE21 GLN A 60 1.109 5.424 -8.249 1.00 0.00 H new ATOM 0 HE22 GLN A 60 1.952 6.899 -8.732 1.00 0.00 H new ATOM 796 N GLU A 61 2.152 7.196 -1.642 1.00 0.00 N ATOM 797 CA GLU A 61 2.532 8.226 -0.690 1.00 0.00 C ATOM 798 C GLU A 61 2.938 7.592 0.642 1.00 0.00 C ATOM 799 O GLU A 61 2.240 6.720 1.158 1.00 0.00 O ATOM 800 CB GLU A 61 1.400 9.236 -0.494 1.00 0.00 C ATOM 801 CG GLU A 61 0.965 9.838 -1.832 1.00 0.00 C ATOM 802 CD GLU A 61 2.095 10.656 -2.458 1.00 0.00 C ATOM 803 OE1 GLU A 61 3.098 10.879 -1.745 1.00 0.00 O ATOM 804 OE2 GLU A 61 1.932 11.041 -3.636 1.00 0.00 O ATOM 0 H GLU A 61 1.741 6.361 -1.225 1.00 0.00 H new ATOM 0 HA GLU A 61 3.390 8.766 -1.091 1.00 0.00 H new ATOM 0 HB2 GLU A 61 0.550 8.747 -0.017 1.00 0.00 H new ATOM 0 HB3 GLU A 61 1.728 10.030 0.177 1.00 0.00 H new ATOM 0 HG2 GLU A 61 0.667 9.041 -2.514 1.00 0.00 H new ATOM 0 HG3 GLU A 61 0.092 10.473 -1.683 1.00 0.00 H new ATOM 809 N ARG A 62 4.065 8.056 1.163 1.00 0.00 N ATOM 810 CA ARG A 62 4.572 7.546 2.425 1.00 0.00 C ATOM 811 C ARG A 62 3.415 7.232 3.374 1.00 0.00 C ATOM 812 O ARG A 62 2.362 7.865 3.306 1.00 0.00 O ATOM 813 CB ARG A 62 5.509 8.556 3.091 1.00 0.00 C ATOM 814 CG ARG A 62 4.731 9.768 3.607 1.00 0.00 C ATOM 815 CD ARG A 62 4.342 10.700 2.457 1.00 0.00 C ATOM 816 NE ARG A 62 4.154 12.078 2.963 1.00 0.00 N ATOM 817 CZ ARG A 62 4.253 13.177 2.204 1.00 0.00 C ATOM 818 NH1 ARG A 62 4.539 13.067 0.900 1.00 0.00 N ATOM 819 NH2 ARG A 62 4.067 14.387 2.749 1.00 0.00 N ATOM 0 H ARG A 62 4.641 8.780 0.733 1.00 0.00 H new ATOM 0 HA ARG A 62 5.130 6.634 2.213 1.00 0.00 H new ATOM 0 HB2 ARG A 62 6.036 8.079 3.917 1.00 0.00 H new ATOM 0 HB3 ARG A 62 6.265 8.882 2.377 1.00 0.00 H new ATOM 0 HG2 ARG A 62 3.834 9.434 4.128 1.00 0.00 H new ATOM 0 HG3 ARG A 62 5.337 10.312 4.332 1.00 0.00 H new ATOM 0 HD2 ARG A 62 5.117 10.688 1.690 1.00 0.00 H new ATOM 0 HD3 ARG A 62 3.424 10.348 1.987 1.00 0.00 H new ATOM 0 HE ARG A 62 3.935 12.198 3.952 1.00 0.00 H new ATOM 0 HH11 ARG A 62 4.681 12.146 0.485 1.00 0.00 H new ATOM 0 HH12 ARG A 62 4.614 13.904 0.322 1.00 0.00 H new ATOM 0 HH21 ARG A 62 3.850 14.471 3.742 1.00 0.00 H new ATOM 0 HH22 ARG A 62 4.142 15.224 2.171 1.00 0.00 H new ATOM 830 N GLY A 63 3.648 6.256 4.239 1.00 0.00 N ATOM 831 CA GLY A 63 2.638 5.851 5.201 1.00 0.00 C ATOM 832 C GLY A 63 2.808 4.381 5.590 1.00 0.00 C ATOM 833 O GLY A 63 3.464 3.620 4.880 1.00 0.00 O ATOM 0 H GLY A 63 4.522 5.734 4.294 1.00 0.00 H new ATOM 0 HA2 GLY A 63 2.707 6.477 6.091 1.00 0.00 H new ATOM 0 HA3 GLY A 63 1.645 6.006 4.778 1.00 0.00 H new ATOM 837 N ARG A 64 2.207 4.026 6.716 1.00 0.00 N ATOM 838 CA ARG A 64 2.285 2.661 7.208 1.00 0.00 C ATOM 839 C ARG A 64 1.200 1.800 6.557 1.00 0.00 C ATOM 840 O ARG A 64 0.074 2.254 6.367 1.00 0.00 O ATOM 841 CB ARG A 64 2.121 2.613 8.728 1.00 0.00 C ATOM 842 CG ARG A 64 3.355 3.181 9.431 1.00 0.00 C ATOM 843 CD ARG A 64 2.968 3.894 10.727 1.00 0.00 C ATOM 844 NE ARG A 64 3.271 3.031 11.891 1.00 0.00 N ATOM 845 CZ ARG A 64 2.474 2.044 12.321 1.00 0.00 C ATOM 846 NH1 ARG A 64 1.320 1.790 11.688 1.00 0.00 N ATOM 847 NH2 ARG A 64 2.829 1.312 13.385 1.00 0.00 N ATOM 0 H ARG A 64 1.664 4.660 7.302 1.00 0.00 H new ATOM 0 HA ARG A 64 3.269 2.270 6.948 1.00 0.00 H new ATOM 0 HB2 ARG A 64 1.238 3.181 9.020 1.00 0.00 H new ATOM 0 HB3 ARG A 64 1.958 1.584 9.047 1.00 0.00 H new ATOM 0 HG2 ARG A 64 4.056 2.376 9.650 1.00 0.00 H new ATOM 0 HG3 ARG A 64 3.867 3.878 8.768 1.00 0.00 H new ATOM 0 HD2 ARG A 64 3.512 4.835 10.810 1.00 0.00 H new ATOM 0 HD3 ARG A 64 1.906 4.140 10.713 1.00 0.00 H new ATOM 0 HE ARG A 64 4.141 3.198 12.397 1.00 0.00 H new ATOM 0 HH11 ARG A 64 1.049 2.348 10.879 1.00 0.00 H new ATOM 0 HH12 ARG A 64 0.713 1.038 12.016 1.00 0.00 H new ATOM 0 HH21 ARG A 64 3.706 1.506 13.868 1.00 0.00 H new ATOM 0 HH22 ARG A 64 2.222 0.560 13.712 1.00 0.00 H new ATOM 858 N VAL A 65 1.579 0.572 6.234 1.00 0.00 N ATOM 859 CA VAL A 65 0.653 -0.356 5.609 1.00 0.00 C ATOM 860 C VAL A 65 -0.110 -1.118 6.695 1.00 0.00 C ATOM 861 O VAL A 65 0.450 -1.438 7.742 1.00 0.00 O ATOM 862 CB VAL A 65 1.406 -1.280 4.648 1.00 0.00 C ATOM 863 CG1 VAL A 65 0.466 -2.325 4.044 1.00 0.00 C ATOM 864 CG2 VAL A 65 2.109 -0.475 3.553 1.00 0.00 C ATOM 0 H VAL A 65 2.515 0.199 6.394 1.00 0.00 H new ATOM 0 HA VAL A 65 -0.082 0.183 5.012 1.00 0.00 H new ATOM 0 HB VAL A 65 2.170 -1.808 5.219 1.00 0.00 H new ATOM 0 HG11 VAL A 65 1.026 -2.969 3.365 1.00 0.00 H new ATOM 0 HG12 VAL A 65 0.032 -2.928 4.841 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -0.331 -1.823 3.494 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.637 -1.155 2.884 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.370 0.091 2.986 1.00 0.00 H new ATOM 0 HG23 VAL A 65 2.822 0.212 4.008 1.00 0.00 H new ATOM 874 N LYS A 66 -1.375 -1.386 6.407 1.00 0.00 N ATOM 875 CA LYS A 66 -2.221 -2.103 7.346 1.00 0.00 C ATOM 876 C LYS A 66 -2.850 -3.307 6.642 1.00 0.00 C ATOM 877 O LYS A 66 -2.921 -3.346 5.414 1.00 0.00 O ATOM 878 CB LYS A 66 -3.243 -1.157 7.978 1.00 0.00 C ATOM 879 CG LYS A 66 -2.943 -0.938 9.462 1.00 0.00 C ATOM 880 CD LYS A 66 -3.854 -1.801 10.338 1.00 0.00 C ATOM 881 CE LYS A 66 -4.770 -0.929 11.201 1.00 0.00 C ATOM 882 NZ LYS A 66 -6.051 -1.623 11.460 1.00 0.00 N ATOM 0 H LYS A 66 -1.835 -1.119 5.536 1.00 0.00 H new ATOM 0 HA LYS A 66 -1.627 -2.491 8.174 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -3.230 -0.200 7.456 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -4.245 -1.569 7.863 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -1.900 -1.181 9.666 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -3.080 0.114 9.713 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -4.456 -2.456 9.708 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -3.248 -2.443 10.978 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -4.278 -0.697 12.145 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -4.958 0.020 10.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -6.661 -1.018 12.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -6.527 -1.822 10.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -5.867 -2.517 11.959 1.00 0.00 H new ATOM 892 N TYR A 67 -3.291 -4.260 7.449 1.00 0.00 N ATOM 893 CA TYR A 67 -3.912 -5.463 6.918 1.00 0.00 C ATOM 894 C TYR A 67 -5.424 -5.277 6.765 1.00 0.00 C ATOM 895 O TYR A 67 -6.127 -5.045 7.748 1.00 0.00 O ATOM 896 CB TYR A 67 -3.648 -6.563 7.947 1.00 0.00 C ATOM 897 CG TYR A 67 -4.741 -7.631 8.012 1.00 0.00 C ATOM 898 CD1 TYR A 67 -4.790 -8.626 7.056 1.00 0.00 C ATOM 899 CD2 TYR A 67 -5.678 -7.600 9.024 1.00 0.00 C ATOM 900 CE1 TYR A 67 -5.819 -9.631 7.116 1.00 0.00 C ATOM 901 CE2 TYR A 67 -6.708 -8.605 9.084 1.00 0.00 C ATOM 902 CZ TYR A 67 -6.727 -9.571 8.128 1.00 0.00 C ATOM 903 OH TYR A 67 -7.699 -10.521 8.184 1.00 0.00 O ATOM 0 H TYR A 67 -3.231 -4.224 8.467 1.00 0.00 H new ATOM 0 HA TYR A 67 -3.506 -5.703 5.935 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -2.698 -7.044 7.714 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -3.541 -6.107 8.931 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -4.057 -8.650 6.264 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -5.639 -6.822 9.772 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -5.869 -10.415 6.375 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -7.448 -8.591 9.870 1.00 0.00 H new ATOM 0 HH TYR A 67 -8.275 -10.354 8.959 1.00 0.00 H new ATOM 912 N ILE A 68 -5.878 -5.385 5.526 1.00 0.00 N ATOM 913 CA ILE A 68 -7.293 -5.232 5.231 1.00 0.00 C ATOM 914 C ILE A 68 -7.833 -6.540 4.652 1.00 0.00 C ATOM 915 O ILE A 68 -8.575 -7.260 5.319 1.00 0.00 O ATOM 916 CB ILE A 68 -7.524 -4.018 4.329 1.00 0.00 C ATOM 917 CG1 ILE A 68 -7.080 -2.727 5.021 1.00 0.00 C ATOM 918 CG2 ILE A 68 -8.980 -3.948 3.867 1.00 0.00 C ATOM 919 CD1 ILE A 68 -7.636 -2.649 6.445 1.00 0.00 C ATOM 0 H ILE A 68 -5.291 -5.577 4.714 1.00 0.00 H new ATOM 0 HA ILE A 68 -7.853 -5.032 6.144 1.00 0.00 H new ATOM 0 HB ILE A 68 -6.908 -4.133 3.437 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -5.991 -2.681 5.049 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -7.421 -1.866 4.446 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -9.117 -3.076 3.227 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -9.228 -4.851 3.308 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -9.634 -3.867 4.735 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -7.306 -1.722 6.914 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -8.725 -2.671 6.412 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -7.273 -3.498 7.024 1.00 0.00 H new ATOM 930 N LYS A 69 -7.439 -6.810 3.415 1.00 0.00 N ATOM 931 CA LYS A 69 -7.876 -8.019 2.738 1.00 0.00 C ATOM 932 C LYS A 69 -6.885 -9.148 3.031 1.00 0.00 C ATOM 933 O LYS A 69 -5.673 -8.952 2.946 1.00 0.00 O ATOM 934 CB LYS A 69 -8.081 -7.754 1.245 1.00 0.00 C ATOM 935 CG LYS A 69 -8.867 -6.459 1.023 1.00 0.00 C ATOM 936 CD LYS A 69 -10.359 -6.672 1.288 1.00 0.00 C ATOM 937 CE LYS A 69 -11.062 -7.228 0.048 1.00 0.00 C ATOM 938 NZ LYS A 69 -12.090 -8.220 0.437 1.00 0.00 N ATOM 0 H LYS A 69 -6.822 -6.212 2.865 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.847 -8.338 3.117 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -7.114 -7.687 0.747 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -8.615 -8.590 0.793 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -8.484 -5.679 1.682 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -8.721 -6.112 0.000 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -10.489 -7.360 2.123 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -10.819 -5.727 1.578 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -11.526 -6.415 -0.510 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -10.331 -7.693 -0.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -12.558 -8.588 -0.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -11.639 -9.004 0.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -12.796 -7.766 1.051 1.00 0.00 H new ATOM 948 N ARG A 70 -7.436 -10.304 3.368 1.00 0.00 N ATOM 949 CA ARG A 70 -6.615 -11.463 3.674 1.00 0.00 C ATOM 950 C ARG A 70 -5.779 -11.857 2.456 1.00 0.00 C ATOM 951 O ARG A 70 -6.154 -11.568 1.321 1.00 0.00 O ATOM 952 CB ARG A 70 -7.480 -12.653 4.098 1.00 0.00 C ATOM 953 CG ARG A 70 -7.053 -13.181 5.469 1.00 0.00 C ATOM 954 CD ARG A 70 -8.213 -13.125 6.463 1.00 0.00 C ATOM 955 NE ARG A 70 -7.924 -13.991 7.629 1.00 0.00 N ATOM 956 CZ ARG A 70 -8.586 -13.930 8.792 1.00 0.00 C ATOM 957 NH1 ARG A 70 -9.578 -13.044 8.953 1.00 0.00 N ATOM 958 NH2 ARG A 70 -8.255 -14.754 9.795 1.00 0.00 N ATOM 0 H ARG A 70 -8.441 -10.463 3.436 1.00 0.00 H new ATOM 0 HA ARG A 70 -5.956 -11.195 4.500 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -8.527 -12.353 4.130 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -7.399 -13.448 3.357 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -6.700 -14.208 5.374 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -6.218 -12.591 5.846 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -8.371 -12.098 6.793 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -9.134 -13.449 5.978 1.00 0.00 H new ATOM 0 HE ARG A 70 -7.174 -14.677 7.541 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -9.829 -12.416 8.190 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -10.082 -12.998 9.839 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -7.499 -15.428 9.673 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -8.759 -14.708 10.681 1.00 0.00 H new ATOM 969 N PRO A 71 -4.631 -12.529 2.740 1.00 0.00 N ATOM 970 CA PRO A 71 -3.738 -12.965 1.680 1.00 0.00 C ATOM 971 C PRO A 71 -4.308 -14.182 0.948 1.00 0.00 C ATOM 972 O PRO A 71 -4.675 -15.173 1.577 1.00 0.00 O ATOM 973 CB PRO A 71 -2.417 -13.256 2.374 1.00 0.00 C ATOM 974 CG PRO A 71 -2.747 -13.419 3.849 1.00 0.00 C ATOM 975 CD PRO A 71 -4.154 -12.889 4.072 1.00 0.00 C ATOM 0 HA PRO A 71 -3.608 -12.211 0.903 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -1.957 -14.160 1.975 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -1.708 -12.443 2.220 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -2.683 -14.467 4.141 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -2.031 -12.873 4.463 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -4.793 -13.643 4.531 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -4.151 -12.026 4.738 1.00 0.00 H new ATOM 980 N GLY A 72 -4.366 -14.066 -0.370 1.00 0.00 N ATOM 981 CA GLY A 72 -4.886 -15.143 -1.195 1.00 0.00 C ATOM 982 C GLY A 72 -6.198 -14.735 -1.868 1.00 0.00 C ATOM 983 O GLY A 72 -6.914 -15.579 -2.404 1.00 0.00 O ATOM 0 H GLY A 72 -4.061 -13.242 -0.888 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -4.152 -15.411 -1.955 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -5.048 -16.030 -0.582 1.00 0.00 H new ATOM 987 N ALA A 73 -6.473 -13.440 -1.817 1.00 0.00 N ATOM 988 CA ALA A 73 -7.687 -12.909 -2.416 1.00 0.00 C ATOM 989 C ALA A 73 -7.430 -12.604 -3.893 1.00 0.00 C ATOM 990 O ALA A 73 -6.295 -12.684 -4.359 1.00 0.00 O ATOM 991 CB ALA A 73 -8.142 -11.673 -1.635 1.00 0.00 C ATOM 0 H ALA A 73 -5.877 -12.743 -1.371 1.00 0.00 H new ATOM 0 HA ALA A 73 -8.493 -13.641 -2.366 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -9.052 -11.274 -2.083 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -8.339 -11.949 -0.599 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -7.360 -10.915 -1.666 1.00 0.00 H new ATOM 997 N VAL A 74 -8.505 -12.259 -4.588 1.00 0.00 N ATOM 998 CA VAL A 74 -8.410 -11.942 -6.002 1.00 0.00 C ATOM 999 C VAL A 74 -8.239 -10.431 -6.171 1.00 0.00 C ATOM 1000 O VAL A 74 -9.072 -9.653 -5.708 1.00 0.00 O ATOM 1001 CB VAL A 74 -9.629 -12.492 -6.745 1.00 0.00 C ATOM 1002 CG1 VAL A 74 -10.926 -12.106 -6.030 1.00 0.00 C ATOM 1003 CG2 VAL A 74 -9.645 -12.021 -8.200 1.00 0.00 C ATOM 0 H VAL A 74 -9.445 -12.192 -4.198 1.00 0.00 H new ATOM 0 HA VAL A 74 -7.535 -12.420 -6.442 1.00 0.00 H new ATOM 0 HB VAL A 74 -9.557 -13.580 -6.747 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -11.778 -12.509 -6.578 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -10.919 -12.514 -5.019 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -11.006 -11.020 -5.983 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -10.522 -12.427 -8.704 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -9.681 -10.932 -8.230 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -8.743 -12.368 -8.705 1.00 0.00 H new ATOM 1013 N LEU A 75 -7.154 -10.061 -6.835 1.00 0.00 N ATOM 1014 CA LEU A 75 -6.863 -8.657 -7.071 1.00 0.00 C ATOM 1015 C LEU A 75 -7.631 -8.182 -8.307 1.00 0.00 C ATOM 1016 O LEU A 75 -7.512 -8.770 -9.380 1.00 0.00 O ATOM 1017 CB LEU A 75 -5.353 -8.430 -7.161 1.00 0.00 C ATOM 1018 CG LEU A 75 -4.725 -7.631 -6.017 1.00 0.00 C ATOM 1019 CD1 LEU A 75 -4.791 -6.129 -6.297 1.00 0.00 C ATOM 1020 CD2 LEU A 75 -5.369 -7.994 -4.678 1.00 0.00 C ATOM 0 H LEU A 75 -6.465 -10.709 -7.217 1.00 0.00 H new ATOM 0 HA LEU A 75 -7.203 -8.051 -6.231 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -4.862 -9.402 -7.211 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -5.138 -7.916 -8.098 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.671 -7.899 -5.950 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -4.338 -5.584 -5.469 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -4.250 -5.906 -7.217 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -5.832 -5.825 -6.405 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -4.905 -7.412 -3.881 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -6.436 -7.772 -4.715 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -5.226 -9.057 -4.482 1.00 0.00 H new ATOM 1031 N GLU A 76 -8.401 -7.121 -8.113 1.00 0.00 N ATOM 1032 CA GLU A 76 -9.189 -6.561 -9.198 1.00 0.00 C ATOM 1033 C GLU A 76 -8.923 -5.059 -9.325 1.00 0.00 C ATOM 1034 O GLU A 76 -8.552 -4.407 -8.352 1.00 0.00 O ATOM 1035 CB GLU A 76 -10.679 -6.839 -8.995 1.00 0.00 C ATOM 1036 CG GLU A 76 -11.241 -7.681 -10.142 1.00 0.00 C ATOM 1037 CD GLU A 76 -12.231 -8.725 -9.621 1.00 0.00 C ATOM 1038 OE1 GLU A 76 -13.224 -8.302 -8.991 1.00 0.00 O ATOM 1039 OE2 GLU A 76 -11.971 -9.924 -9.867 1.00 0.00 O ATOM 0 H GLU A 76 -8.496 -6.635 -7.221 1.00 0.00 H new ATOM 0 HA GLU A 76 -8.888 -7.044 -10.127 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -10.830 -7.359 -8.049 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -11.223 -5.897 -8.931 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -11.737 -7.033 -10.865 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -10.425 -8.178 -10.667 1.00 0.00 H new ATOM 1044 N ALA A 77 -9.123 -4.556 -10.535 1.00 0.00 N ATOM 1045 CA ALA A 77 -8.910 -3.145 -10.803 1.00 0.00 C ATOM 1046 C ALA A 77 -9.882 -2.318 -9.958 1.00 0.00 C ATOM 1047 O ALA A 77 -11.083 -2.583 -9.950 1.00 0.00 O ATOM 1048 CB ALA A 77 -9.067 -2.879 -12.301 1.00 0.00 C ATOM 0 H ALA A 77 -9.430 -5.101 -11.340 1.00 0.00 H new ATOM 0 HA ALA A 77 -7.898 -2.850 -10.525 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -8.907 -1.820 -12.501 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -8.335 -3.467 -12.854 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -10.072 -3.160 -12.617 1.00 0.00 H new ATOM 1054 N GLY A 78 -9.327 -1.331 -9.270 1.00 0.00 N ATOM 1055 CA GLY A 78 -10.130 -0.464 -8.425 1.00 0.00 C ATOM 1056 C GLY A 78 -10.728 -1.242 -7.252 1.00 0.00 C ATOM 1057 O GLY A 78 -11.941 -1.228 -7.046 1.00 0.00 O ATOM 0 H GLY A 78 -8.331 -1.113 -9.281 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -9.515 0.353 -8.048 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -10.930 -0.016 -9.014 1.00 0.00 H new ATOM 1061 N CYS A 79 -9.849 -1.902 -6.512 1.00 0.00 N ATOM 1062 CA CYS A 79 -10.275 -2.685 -5.364 1.00 0.00 C ATOM 1063 C CYS A 79 -9.410 -2.288 -4.165 1.00 0.00 C ATOM 1064 O CYS A 79 -8.447 -1.537 -4.311 1.00 0.00 O ATOM 1065 CB CYS A 79 -10.205 -4.186 -5.645 1.00 0.00 C ATOM 1066 SG CYS A 79 -11.772 -4.755 -6.399 1.00 0.00 S ATOM 0 H CYS A 79 -8.844 -1.911 -6.685 1.00 0.00 H new ATOM 0 HA CYS A 79 -11.321 -2.472 -5.144 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -9.371 -4.401 -6.313 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -10.019 -4.730 -4.719 1.00 0.00 H new ATOM 0 HG CYS A 79 -12.408 -3.737 -6.899 1.00 0.00 H new ATOM 1071 N VAL A 80 -9.785 -2.811 -3.007 1.00 0.00 N ATOM 1072 CA VAL A 80 -9.056 -2.522 -1.784 1.00 0.00 C ATOM 1073 C VAL A 80 -8.058 -3.648 -1.511 1.00 0.00 C ATOM 1074 O VAL A 80 -8.308 -4.801 -1.859 1.00 0.00 O ATOM 1075 CB VAL A 80 -10.037 -2.299 -0.630 1.00 0.00 C ATOM 1076 CG1 VAL A 80 -10.763 -3.597 -0.271 1.00 0.00 C ATOM 1077 CG2 VAL A 80 -9.324 -1.714 0.590 1.00 0.00 C ATOM 0 H VAL A 80 -10.585 -3.433 -2.890 1.00 0.00 H new ATOM 0 HA VAL A 80 -8.484 -1.600 -1.890 1.00 0.00 H new ATOM 0 HB VAL A 80 -10.784 -1.577 -0.959 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -11.454 -3.412 0.551 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -11.318 -3.955 -1.138 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -10.035 -4.350 0.030 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -10.043 -1.565 1.395 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -8.546 -2.402 0.921 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -8.874 -0.757 0.324 1.00 0.00 H new ATOM 1087 N VAL A 81 -6.947 -3.274 -0.893 1.00 0.00 N ATOM 1088 CA VAL A 81 -5.910 -4.239 -0.570 1.00 0.00 C ATOM 1089 C VAL A 81 -5.455 -4.027 0.875 1.00 0.00 C ATOM 1090 O VAL A 81 -5.410 -4.973 1.661 1.00 0.00 O ATOM 1091 CB VAL A 81 -4.765 -4.133 -1.579 1.00 0.00 C ATOM 1092 CG1 VAL A 81 -3.685 -5.179 -1.293 1.00 0.00 C ATOM 1093 CG2 VAL A 81 -5.284 -4.258 -3.012 1.00 0.00 C ATOM 0 H VAL A 81 -6.743 -2.316 -0.608 1.00 0.00 H new ATOM 0 HA VAL A 81 -6.297 -5.255 -0.643 1.00 0.00 H new ATOM 0 HB VAL A 81 -4.313 -3.147 -1.472 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -2.882 -5.083 -2.024 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -3.284 -5.024 -0.291 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -4.118 -6.177 -1.359 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -4.450 -4.179 -3.709 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -5.773 -5.224 -3.139 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -6.000 -3.460 -3.211 1.00 0.00 H new ATOM 1103 N ALA A 82 -5.129 -2.780 1.184 1.00 0.00 N ATOM 1104 CA ALA A 82 -4.678 -2.432 2.520 1.00 0.00 C ATOM 1105 C ALA A 82 -4.957 -0.950 2.777 1.00 0.00 C ATOM 1106 O ALA A 82 -5.508 -0.260 1.921 1.00 0.00 O ATOM 1107 CB ALA A 82 -3.197 -2.782 2.667 1.00 0.00 C ATOM 0 H ALA A 82 -5.169 -1.998 0.531 1.00 0.00 H new ATOM 0 HA ALA A 82 -5.223 -3.005 3.271 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -2.859 -2.521 3.670 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -3.058 -3.851 2.504 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -2.617 -2.224 1.932 1.00 0.00 H new ATOM 1113 N ARG A 83 -4.564 -0.504 3.961 1.00 0.00 N ATOM 1114 CA ARG A 83 -4.763 0.884 4.343 1.00 0.00 C ATOM 1115 C ARG A 83 -3.422 1.617 4.402 1.00 0.00 C ATOM 1116 O ARG A 83 -2.365 0.989 4.365 1.00 0.00 O ATOM 1117 CB ARG A 83 -5.455 0.987 5.704 1.00 0.00 C ATOM 1118 CG ARG A 83 -6.887 1.502 5.555 1.00 0.00 C ATOM 1119 CD ARG A 83 -7.008 2.941 6.061 1.00 0.00 C ATOM 1120 NE ARG A 83 -8.190 3.070 6.941 1.00 0.00 N ATOM 1121 CZ ARG A 83 -9.449 2.836 6.548 1.00 0.00 C ATOM 1122 NH1 ARG A 83 -9.698 2.459 5.285 1.00 0.00 N ATOM 1123 NH2 ARG A 83 -10.461 2.978 7.415 1.00 0.00 N ATOM 0 H ARG A 83 -4.108 -1.080 4.669 1.00 0.00 H new ATOM 0 HA ARG A 83 -5.400 1.347 3.589 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -5.465 0.009 6.185 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -4.890 1.656 6.353 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -7.187 1.454 4.508 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -7.568 0.859 6.112 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -6.106 3.221 6.606 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -7.096 3.626 5.217 1.00 0.00 H new ATOM 0 HE ARG A 83 -8.037 3.355 7.908 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -8.929 2.351 4.624 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -10.657 2.281 4.986 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -10.273 3.265 8.376 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -11.419 2.799 7.114 1.00 0.00 H new ATOM 1134 N LEU A 84 -3.508 2.936 4.493 1.00 0.00 N ATOM 1135 CA LEU A 84 -2.314 3.761 4.558 1.00 0.00 C ATOM 1136 C LEU A 84 -2.447 4.755 5.713 1.00 0.00 C ATOM 1137 O LEU A 84 -3.456 5.451 5.824 1.00 0.00 O ATOM 1138 CB LEU A 84 -2.046 4.423 3.205 1.00 0.00 C ATOM 1139 CG LEU A 84 -0.621 4.931 2.976 1.00 0.00 C ATOM 1140 CD1 LEU A 84 -0.442 6.340 3.545 1.00 0.00 C ATOM 1141 CD2 LEU A 84 0.408 3.949 3.543 1.00 0.00 C ATOM 0 H LEU A 84 -4.386 3.454 4.523 1.00 0.00 H new ATOM 0 HA LEU A 84 -1.438 3.147 4.766 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -2.286 3.707 2.419 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -2.732 5.262 3.092 1.00 0.00 H new ATOM 0 HG LEU A 84 -0.450 4.994 1.901 1.00 0.00 H new ATOM 0 HD11 LEU A 84 0.580 6.677 3.369 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -1.138 7.021 3.056 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.640 6.327 4.617 1.00 0.00 H new ATOM 0 HD21 LEU A 84 1.413 4.333 3.367 1.00 0.00 H new ATOM 0 HD22 LEU A 84 0.247 3.831 4.615 1.00 0.00 H new ATOM 0 HD23 LEU A 84 0.298 2.982 3.051 1.00 0.00 H new ATOM 1152 N GLU A 85 -1.416 4.790 6.544 1.00 0.00 N ATOM 1153 CA GLU A 85 -1.406 5.687 7.687 1.00 0.00 C ATOM 1154 C GLU A 85 -0.368 6.793 7.485 1.00 0.00 C ATOM 1155 O GLU A 85 0.803 6.618 7.820 1.00 0.00 O ATOM 1156 CB GLU A 85 -1.145 4.919 8.985 1.00 0.00 C ATOM 1157 CG GLU A 85 -2.367 4.962 9.903 1.00 0.00 C ATOM 1158 CD GLU A 85 -3.180 3.671 9.796 1.00 0.00 C ATOM 1159 OE1 GLU A 85 -3.924 3.549 8.800 1.00 0.00 O ATOM 1160 OE2 GLU A 85 -3.039 2.834 10.714 1.00 0.00 O ATOM 0 H GLU A 85 -0.581 4.211 6.449 1.00 0.00 H new ATOM 0 HA GLU A 85 -2.389 6.150 7.769 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -0.895 3.883 8.755 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -0.285 5.348 9.499 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -2.046 5.109 10.934 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -2.994 5.814 9.639 1.00 0.00 H new