USER MOD reduce.3.24.130724 H: found=0, std=0, add=310, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 311 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 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot -69:sc= 1.16 USER MOD Single : A 61 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= -0.5 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN : amide:sc= -3.29 K(o=-3.3,f=-6.6!) USER MOD Single : A 74 SER OG : rot 180:sc= -0.0345 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 THR OG1 : rot 63:sc= 0.573 USER MOD Single : A 88 GLN : amide:sc= -1.84 K(o=-1.8,f=-4.3!) USER MOD Single : A 90 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0858) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 213 N VAL A 54 -33.007 1.697 -0.027 1.00 0.00 N ATOM 214 CA VAL A 54 -32.164 2.172 -1.118 1.00 0.00 C ATOM 215 C VAL A 54 -30.995 1.221 -1.355 1.00 0.00 C ATOM 216 O VAL A 54 -30.241 0.904 -0.436 1.00 0.00 O ATOM 217 CB VAL A 54 -31.627 3.567 -0.787 1.00 0.00 C ATOM 218 CG1 VAL A 54 -30.638 4.005 -1.868 1.00 0.00 C ATOM 219 CG2 VAL A 54 -32.791 4.559 -0.733 1.00 0.00 C ATOM 0 HA VAL A 54 -32.768 2.215 -2.024 1.00 0.00 H new ATOM 0 HB VAL A 54 -31.122 3.541 0.178 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -30.256 4.998 -1.631 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -29.809 3.298 -1.911 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -31.143 4.031 -2.834 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -32.411 5.553 -0.497 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -33.294 4.582 -1.700 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -33.498 4.249 0.037 1.00 0.00 H new ATOM 229 N VAL A 55 -30.854 0.770 -2.598 1.00 0.00 N ATOM 230 CA VAL A 55 -29.780 -0.146 -2.965 1.00 0.00 C ATOM 231 C VAL A 55 -28.413 0.509 -2.779 1.00 0.00 C ATOM 232 O VAL A 55 -27.471 -0.122 -2.300 1.00 0.00 O ATOM 233 CB VAL A 55 -29.943 -0.582 -4.422 1.00 0.00 C ATOM 234 CG1 VAL A 55 -28.701 -1.358 -4.863 1.00 0.00 C ATOM 235 CG2 VAL A 55 -31.176 -1.479 -4.548 1.00 0.00 C ATOM 0 H VAL A 55 -31.471 1.025 -3.369 1.00 0.00 H new ATOM 0 HA VAL A 55 -29.839 -1.017 -2.312 1.00 0.00 H new ATOM 0 HB VAL A 55 -30.066 0.297 -5.055 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -28.816 -1.669 -5.901 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -27.822 -0.720 -4.771 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -28.579 -2.238 -4.232 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -31.294 -1.791 -5.586 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -31.052 -2.359 -3.916 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -32.061 -0.927 -4.232 1.00 0.00 H new ATOM 245 N LYS A 56 -28.310 1.772 -3.178 1.00 0.00 N ATOM 246 CA LYS A 56 -27.053 2.504 -3.070 1.00 0.00 C ATOM 247 C LYS A 56 -26.539 2.502 -1.631 1.00 0.00 C ATOM 248 O LYS A 56 -25.347 2.690 -1.394 1.00 0.00 O ATOM 249 CB LYS A 56 -27.245 3.948 -3.541 1.00 0.00 C ATOM 250 CG LYS A 56 -26.909 4.062 -5.033 1.00 0.00 C ATOM 251 CD LYS A 56 -27.868 3.186 -5.842 1.00 0.00 C ATOM 252 CE LYS A 56 -27.580 3.356 -7.335 1.00 0.00 C ATOM 253 NZ LYS A 56 -28.512 2.499 -8.120 1.00 0.00 N ATOM 0 H LYS A 56 -29.079 2.309 -3.578 1.00 0.00 H new ATOM 0 HA LYS A 56 -26.318 2.007 -3.703 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -28.274 4.262 -3.366 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -26.605 4.616 -2.964 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -26.988 5.100 -5.356 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -25.879 3.751 -5.209 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -27.752 2.141 -5.555 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -28.900 3.463 -5.626 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -27.699 4.401 -7.623 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -26.547 3.082 -7.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -28.317 2.614 -9.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -28.377 1.503 -7.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -29.493 2.781 -7.922 1.00 0.00 H new ATOM 267 N VAL A 57 -27.438 2.294 -0.677 1.00 0.00 N ATOM 268 CA VAL A 57 -27.047 2.277 0.728 1.00 0.00 C ATOM 269 C VAL A 57 -25.903 1.291 0.948 1.00 0.00 C ATOM 270 O VAL A 57 -25.120 1.437 1.886 1.00 0.00 O ATOM 271 CB VAL A 57 -28.235 1.877 1.603 1.00 0.00 C ATOM 272 CG1 VAL A 57 -28.485 0.373 1.470 1.00 0.00 C ATOM 273 CG2 VAL A 57 -27.928 2.214 3.064 1.00 0.00 C ATOM 0 H VAL A 57 -28.431 2.136 -0.846 1.00 0.00 H new ATOM 0 HA VAL A 57 -26.717 3.278 1.004 1.00 0.00 H new ATOM 0 HB VAL A 57 -29.122 2.423 1.281 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -29.332 0.088 2.094 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -28.703 0.131 0.430 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -27.598 -0.173 1.791 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -28.775 1.929 3.689 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -27.041 1.668 3.385 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -27.750 3.285 3.161 1.00 0.00 H new ATOM 283 N VAL A 58 -25.816 0.289 0.080 1.00 0.00 N ATOM 284 CA VAL A 58 -24.766 -0.717 0.188 1.00 0.00 C ATOM 285 C VAL A 58 -23.393 -0.090 -0.038 1.00 0.00 C ATOM 286 O VAL A 58 -22.374 -0.638 0.380 1.00 0.00 O ATOM 287 CB VAL A 58 -24.994 -1.827 -0.840 1.00 0.00 C ATOM 288 CG1 VAL A 58 -26.348 -2.488 -0.583 1.00 0.00 C ATOM 289 CG2 VAL A 58 -24.975 -1.230 -2.247 1.00 0.00 C ATOM 0 H VAL A 58 -26.456 0.152 -0.702 1.00 0.00 H new ATOM 0 HA VAL A 58 -24.800 -1.139 1.193 1.00 0.00 H new ATOM 0 HB VAL A 58 -24.204 -2.573 -0.752 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -26.511 -3.279 -1.315 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -26.360 -2.914 0.420 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -27.139 -1.743 -0.671 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -25.137 -2.020 -2.980 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -25.765 -0.484 -2.337 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -24.009 -0.759 -2.429 1.00 0.00 H new ATOM 299 N GLU A 59 -23.374 1.058 -0.708 1.00 0.00 N ATOM 300 CA GLU A 59 -22.120 1.746 -0.993 1.00 0.00 C ATOM 301 C GLU A 59 -21.406 2.120 0.301 1.00 0.00 C ATOM 302 O GLU A 59 -20.181 2.031 0.391 1.00 0.00 O ATOM 303 CB GLU A 59 -22.391 3.011 -1.810 1.00 0.00 C ATOM 304 CG GLU A 59 -22.832 2.624 -3.222 1.00 0.00 C ATOM 305 CD GLU A 59 -23.272 3.866 -3.990 1.00 0.00 C ATOM 306 OE1 GLU A 59 -23.432 4.899 -3.362 1.00 0.00 O ATOM 307 OE2 GLU A 59 -23.440 3.765 -5.193 1.00 0.00 O ATOM 0 H GLU A 59 -24.207 1.529 -1.062 1.00 0.00 H new ATOM 0 HA GLU A 59 -21.482 1.073 -1.565 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -23.164 3.609 -1.328 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -21.493 3.627 -1.854 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -22.012 2.134 -3.746 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -23.652 1.908 -3.172 1.00 0.00 H new ATOM 314 N SER A 60 -22.175 2.527 1.303 1.00 0.00 N ATOM 315 CA SER A 60 -21.588 2.896 2.586 1.00 0.00 C ATOM 316 C SER A 60 -20.895 1.685 3.201 1.00 0.00 C ATOM 317 O SER A 60 -19.804 1.794 3.760 1.00 0.00 O ATOM 318 CB SER A 60 -22.673 3.406 3.533 1.00 0.00 C ATOM 319 OG SER A 60 -23.608 2.364 3.779 1.00 0.00 O ATOM 0 H SER A 60 -23.191 2.609 1.255 1.00 0.00 H new ATOM 0 HA SER A 60 -20.857 3.689 2.427 1.00 0.00 H new ATOM 0 HB2 SER A 60 -22.227 3.739 4.470 1.00 0.00 H new ATOM 0 HB3 SER A 60 -23.178 4.268 3.096 1.00 0.00 H new ATOM 0 HG SER A 60 -24.118 2.183 2.962 1.00 0.00 H new ATOM 325 N GLN A 61 -21.534 0.527 3.074 1.00 0.00 N ATOM 326 CA GLN A 61 -20.976 -0.716 3.596 1.00 0.00 C ATOM 327 C GLN A 61 -19.748 -1.130 2.788 1.00 0.00 C ATOM 328 O GLN A 61 -18.766 -1.631 3.336 1.00 0.00 O ATOM 329 CB GLN A 61 -22.029 -1.825 3.539 1.00 0.00 C ATOM 330 CG GLN A 61 -21.475 -3.094 4.190 1.00 0.00 C ATOM 331 CD GLN A 61 -22.549 -4.176 4.221 1.00 0.00 C ATOM 332 OE1 GLN A 61 -23.417 -4.213 3.352 1.00 0.00 O ATOM 333 NE2 GLN A 61 -22.539 -5.064 5.178 1.00 0.00 N ATOM 0 H GLN A 61 -22.439 0.423 2.614 1.00 0.00 H new ATOM 0 HA GLN A 61 -20.677 -0.555 4.632 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -22.935 -1.506 4.054 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -22.304 -2.026 2.504 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -20.606 -3.448 3.635 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -21.138 -2.875 5.203 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -21.817 -5.030 5.898 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -23.253 -5.792 5.206 1.00 0.00 H new ATOM 342 N ALA A 62 -19.827 -0.930 1.475 1.00 0.00 N ATOM 343 CA ALA A 62 -18.737 -1.296 0.575 1.00 0.00 C ATOM 344 C ALA A 62 -17.457 -0.542 0.916 1.00 0.00 C ATOM 345 O ALA A 62 -16.364 -1.106 0.852 1.00 0.00 O ATOM 346 CB ALA A 62 -19.133 -0.992 -0.871 1.00 0.00 C ATOM 0 H ALA A 62 -20.635 -0.516 1.010 1.00 0.00 H new ATOM 0 HA ALA A 62 -18.550 -2.363 0.694 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -18.316 -1.267 -1.538 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -20.023 -1.564 -1.133 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -19.343 0.073 -0.975 1.00 0.00 H new ATOM 352 N GLU A 63 -17.587 0.733 1.265 1.00 0.00 N ATOM 353 CA GLU A 63 -16.413 1.534 1.597 1.00 0.00 C ATOM 354 C GLU A 63 -15.686 0.940 2.797 1.00 0.00 C ATOM 355 O GLU A 63 -14.457 0.861 2.813 1.00 0.00 O ATOM 356 CB GLU A 63 -16.831 2.972 1.907 1.00 0.00 C ATOM 357 CG GLU A 63 -17.292 3.661 0.620 1.00 0.00 C ATOM 358 CD GLU A 63 -17.861 5.039 0.941 1.00 0.00 C ATOM 359 OE1 GLU A 63 -18.065 5.315 2.112 1.00 0.00 O ATOM 360 OE2 GLU A 63 -18.084 5.795 0.012 1.00 0.00 O ATOM 0 H GLU A 63 -18.477 1.228 1.325 1.00 0.00 H new ATOM 0 HA GLU A 63 -15.739 1.532 0.741 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -17.635 2.977 2.643 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -15.995 3.518 2.345 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -16.455 3.756 -0.071 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -18.048 3.053 0.123 1.00 0.00 H new ATOM 367 N LEU A 64 -16.449 0.508 3.797 1.00 0.00 N ATOM 368 CA LEU A 64 -15.855 -0.091 4.987 1.00 0.00 C ATOM 369 C LEU A 64 -15.167 -1.404 4.627 1.00 0.00 C ATOM 370 O LEU A 64 -14.087 -1.712 5.132 1.00 0.00 O ATOM 371 CB LEU A 64 -16.935 -0.351 6.042 1.00 0.00 C ATOM 372 CG LEU A 64 -17.455 0.983 6.593 1.00 0.00 C ATOM 373 CD1 LEU A 64 -18.659 0.723 7.501 1.00 0.00 C ATOM 374 CD2 LEU A 64 -16.357 1.690 7.401 1.00 0.00 C ATOM 0 H LEU A 64 -17.468 0.560 3.808 1.00 0.00 H new ATOM 0 HA LEU A 64 -15.117 0.601 5.392 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -17.756 -0.918 5.603 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -16.527 -0.955 6.852 1.00 0.00 H new ATOM 0 HG LEU A 64 -17.748 1.619 5.758 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -19.030 1.670 7.894 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -19.447 0.234 6.929 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -18.359 0.080 8.328 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -16.740 2.635 7.786 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -16.052 1.056 8.234 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -15.498 1.882 6.758 1.00 0.00 H new ATOM 386 N TYR A 65 -15.805 -2.173 3.749 1.00 0.00 N ATOM 387 CA TYR A 65 -15.260 -3.454 3.314 1.00 0.00 C ATOM 388 C TYR A 65 -13.948 -3.258 2.563 1.00 0.00 C ATOM 389 O TYR A 65 -13.008 -4.037 2.718 1.00 0.00 O ATOM 390 CB TYR A 65 -16.264 -4.174 2.412 1.00 0.00 C ATOM 391 CG TYR A 65 -15.759 -5.563 2.103 1.00 0.00 C ATOM 392 CD1 TYR A 65 -15.918 -6.588 3.045 1.00 0.00 C ATOM 393 CD2 TYR A 65 -15.136 -5.829 0.879 1.00 0.00 C ATOM 394 CE1 TYR A 65 -15.452 -7.877 2.762 1.00 0.00 C ATOM 395 CE2 TYR A 65 -14.671 -7.119 0.596 1.00 0.00 C ATOM 396 CZ TYR A 65 -14.830 -8.144 1.538 1.00 0.00 C ATOM 397 OH TYR A 65 -14.372 -9.415 1.258 1.00 0.00 O ATOM 0 H TYR A 65 -16.700 -1.931 3.325 1.00 0.00 H new ATOM 0 HA TYR A 65 -15.069 -4.060 4.200 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -17.235 -4.230 2.903 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -16.406 -3.613 1.488 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -16.400 -6.383 3.989 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -15.014 -5.039 0.152 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -15.573 -8.666 3.489 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -14.190 -7.324 -0.349 1.00 0.00 H new ATOM 0 HH TYR A 65 -13.967 -9.428 0.366 1.00 0.00 H new ATOM 407 N SER A 66 -13.897 -2.217 1.735 1.00 0.00 N ATOM 408 CA SER A 66 -12.702 -1.933 0.948 1.00 0.00 C ATOM 409 C SER A 66 -11.496 -1.706 1.854 1.00 0.00 C ATOM 410 O SER A 66 -10.414 -2.237 1.600 1.00 0.00 O ATOM 411 CB SER A 66 -12.935 -0.687 0.092 1.00 0.00 C ATOM 412 OG SER A 66 -11.759 -0.399 -0.649 1.00 0.00 O ATOM 0 H SER A 66 -14.665 -1.561 1.593 1.00 0.00 H new ATOM 0 HA SER A 66 -12.500 -2.791 0.307 1.00 0.00 H new ATOM 0 HB2 SER A 66 -13.774 -0.849 -0.585 1.00 0.00 H new ATOM 0 HB3 SER A 66 -13.195 0.160 0.726 1.00 0.00 H new ATOM 0 HG SER A 66 -11.906 0.398 -1.200 1.00 0.00 H new ATOM 418 N LEU A 67 -11.685 -0.925 2.909 1.00 0.00 N ATOM 419 CA LEU A 67 -10.597 -0.651 3.840 1.00 0.00 C ATOM 420 C LEU A 67 -10.148 -1.942 4.518 1.00 0.00 C ATOM 421 O LEU A 67 -8.957 -2.163 4.732 1.00 0.00 O ATOM 422 CB LEU A 67 -11.054 0.353 4.900 1.00 0.00 C ATOM 423 CG LEU A 67 -11.265 1.730 4.257 1.00 0.00 C ATOM 424 CD1 LEU A 67 -11.907 2.673 5.275 1.00 0.00 C ATOM 425 CD2 LEU A 67 -9.920 2.318 3.801 1.00 0.00 C ATOM 0 H LEU A 67 -12.570 -0.474 3.141 1.00 0.00 H new ATOM 0 HA LEU A 67 -9.760 -0.230 3.284 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -11.981 0.012 5.362 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -10.309 0.422 5.693 1.00 0.00 H new ATOM 0 HG LEU A 67 -11.917 1.618 3.390 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -12.058 3.652 4.820 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -12.868 2.268 5.591 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -11.253 2.773 6.142 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -10.085 3.295 3.347 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -9.259 2.425 4.661 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -9.460 1.652 3.071 1.00 0.00 H new ATOM 437 N GLU A 68 -11.117 -2.786 4.857 1.00 0.00 N ATOM 438 CA GLU A 68 -10.826 -4.053 5.516 1.00 0.00 C ATOM 439 C GLU A 68 -9.997 -4.970 4.622 1.00 0.00 C ATOM 440 O GLU A 68 -9.096 -5.660 5.099 1.00 0.00 O ATOM 441 CB GLU A 68 -12.132 -4.754 5.895 1.00 0.00 C ATOM 442 CG GLU A 68 -12.810 -3.987 7.033 1.00 0.00 C ATOM 443 CD GLU A 68 -14.195 -4.562 7.297 1.00 0.00 C ATOM 444 OE1 GLU A 68 -14.662 -5.332 6.474 1.00 0.00 O ATOM 445 OE2 GLU A 68 -14.770 -4.227 8.320 1.00 0.00 O ATOM 0 H GLU A 68 -12.108 -2.616 4.687 1.00 0.00 H new ATOM 0 HA GLU A 68 -10.247 -3.837 6.414 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -12.794 -4.805 5.031 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -11.931 -5.780 6.203 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -12.203 -4.049 7.936 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -12.889 -2.931 6.774 1.00 0.00 H new ATOM 452 N LYS A 69 -10.304 -4.979 3.325 1.00 0.00 N ATOM 453 CA LYS A 69 -9.578 -5.823 2.380 1.00 0.00 C ATOM 454 C LYS A 69 -8.637 -4.989 1.518 1.00 0.00 C ATOM 455 O LYS A 69 -8.032 -5.495 0.574 1.00 0.00 O ATOM 456 CB LYS A 69 -10.570 -6.567 1.483 1.00 0.00 C ATOM 457 CG LYS A 69 -11.155 -7.764 2.240 1.00 0.00 C ATOM 458 CD LYS A 69 -10.252 -8.993 2.068 1.00 0.00 C ATOM 459 CE LYS A 69 -10.609 -9.728 0.771 1.00 0.00 C ATOM 460 NZ LYS A 69 -9.762 -10.948 0.645 1.00 0.00 N ATOM 0 H LYS A 69 -11.045 -4.415 2.908 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.985 -6.541 2.947 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -11.370 -5.894 1.173 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -10.070 -6.907 0.576 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -11.254 -7.521 3.298 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -12.156 -7.984 1.869 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -9.206 -8.686 2.046 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -10.370 -9.663 2.920 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -11.664 -10.003 0.774 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -10.453 -9.073 -0.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -10.003 -11.448 -0.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -8.759 -10.674 0.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -9.933 -11.574 1.457 1.00 0.00 H new ATOM 474 N ASN A 70 -8.503 -3.712 1.861 1.00 0.00 N ATOM 475 CA ASN A 70 -7.610 -2.824 1.124 1.00 0.00 C ATOM 476 C ASN A 70 -7.839 -2.947 -0.382 1.00 0.00 C ATOM 477 O ASN A 70 -6.884 -3.035 -1.153 1.00 0.00 O ATOM 478 CB ASN A 70 -6.155 -3.162 1.445 1.00 0.00 C ATOM 479 CG ASN A 70 -5.255 -2.000 1.044 1.00 0.00 C ATOM 480 OD1 ASN A 70 -5.624 -0.840 1.223 1.00 0.00 O ATOM 481 ND2 ASN A 70 -4.093 -2.244 0.506 1.00 0.00 N ATOM 0 H ASN A 70 -8.996 -3.271 2.637 1.00 0.00 H new ATOM 0 HA ASN A 70 -7.824 -1.799 1.428 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -6.046 -3.368 2.510 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -5.856 -4.066 0.914 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -3.486 -1.472 0.232 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -3.791 -3.207 0.359 1.00 0.00 H new ATOM 488 N GLU A 71 -9.100 -2.959 -0.798 1.00 0.00 N ATOM 489 CA GLU A 71 -9.415 -3.079 -2.218 1.00 0.00 C ATOM 490 C GLU A 71 -8.861 -1.890 -2.997 1.00 0.00 C ATOM 491 O GLU A 71 -8.345 -2.051 -4.103 1.00 0.00 O ATOM 492 CB GLU A 71 -10.930 -3.162 -2.418 1.00 0.00 C ATOM 493 CG GLU A 71 -11.443 -4.509 -1.908 1.00 0.00 C ATOM 494 CD GLU A 71 -12.966 -4.528 -1.936 1.00 0.00 C ATOM 495 OE1 GLU A 71 -13.550 -3.468 -2.090 1.00 0.00 O ATOM 496 OE2 GLU A 71 -13.528 -5.603 -1.805 1.00 0.00 O ATOM 0 H GLU A 71 -9.911 -2.888 -0.183 1.00 0.00 H new ATOM 0 HA GLU A 71 -8.951 -3.991 -2.593 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -11.422 -2.349 -1.885 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -11.174 -3.045 -3.474 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -11.049 -5.316 -2.526 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -11.087 -4.683 -0.893 1.00 0.00 H new ATOM 503 N ASP A 72 -8.966 -0.700 -2.411 1.00 0.00 N ATOM 504 CA ASP A 72 -8.465 0.510 -3.057 1.00 0.00 C ATOM 505 C ASP A 72 -7.612 1.322 -2.087 1.00 0.00 C ATOM 506 O ASP A 72 -8.069 1.690 -1.005 1.00 0.00 O ATOM 507 CB ASP A 72 -9.639 1.362 -3.544 1.00 0.00 C ATOM 508 CG ASP A 72 -10.311 0.692 -4.740 1.00 0.00 C ATOM 509 OD1 ASP A 72 -9.721 -0.227 -5.286 1.00 0.00 O ATOM 510 OD2 ASP A 72 -11.402 1.106 -5.090 1.00 0.00 O ATOM 0 H ASP A 72 -9.391 -0.548 -1.496 1.00 0.00 H new ATOM 0 HA ASP A 72 -7.848 0.219 -3.907 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -10.361 1.495 -2.738 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -9.287 2.355 -3.824 1.00 0.00 H new ATOM 515 N ALA A 73 -6.368 1.598 -2.473 1.00 0.00 N ATOM 516 CA ALA A 73 -5.472 2.367 -1.616 1.00 0.00 C ATOM 517 C ALA A 73 -4.413 3.096 -2.443 1.00 0.00 C ATOM 518 O ALA A 73 -4.060 2.668 -3.541 1.00 0.00 O ATOM 519 CB ALA A 73 -4.789 1.440 -0.613 1.00 0.00 C ATOM 0 H ALA A 73 -5.963 1.305 -3.362 1.00 0.00 H new ATOM 0 HA ALA A 73 -6.066 3.110 -1.083 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -4.122 2.021 0.023 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -5.544 0.951 0.003 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -4.213 0.685 -1.149 1.00 0.00 H new ATOM 525 N SER A 74 -3.908 4.198 -1.897 1.00 0.00 N ATOM 526 CA SER A 74 -2.885 4.989 -2.569 1.00 0.00 C ATOM 527 C SER A 74 -1.523 4.304 -2.475 1.00 0.00 C ATOM 528 O SER A 74 -1.265 3.543 -1.546 1.00 0.00 O ATOM 529 CB SER A 74 -2.804 6.382 -1.945 1.00 0.00 C ATOM 530 OG SER A 74 -1.757 7.115 -2.565 1.00 0.00 O ATOM 0 H SER A 74 -4.192 4.564 -0.988 1.00 0.00 H new ATOM 0 HA SER A 74 -3.159 5.079 -3.620 1.00 0.00 H new ATOM 0 HB2 SER A 74 -3.752 6.904 -2.070 1.00 0.00 H new ATOM 0 HB3 SER A 74 -2.622 6.303 -0.873 1.00 0.00 H new ATOM 0 HG SER A 74 -1.704 8.009 -2.168 1.00 0.00 H new ATOM 536 N LEU A 75 -0.648 4.606 -3.427 1.00 0.00 N ATOM 537 CA LEU A 75 0.693 4.028 -3.412 1.00 0.00 C ATOM 538 C LEU A 75 1.417 4.461 -2.144 1.00 0.00 C ATOM 539 O LEU A 75 2.100 3.669 -1.498 1.00 0.00 O ATOM 540 CB LEU A 75 1.492 4.474 -4.637 1.00 0.00 C ATOM 541 CG LEU A 75 1.423 3.393 -5.714 1.00 0.00 C ATOM 542 CD1 LEU A 75 -0.038 3.124 -6.082 1.00 0.00 C ATOM 543 CD2 LEU A 75 2.180 3.868 -6.956 1.00 0.00 C ATOM 0 H LEU A 75 -0.836 5.236 -4.207 1.00 0.00 H new ATOM 0 HA LEU A 75 0.604 2.942 -3.436 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.093 5.412 -5.023 1.00 0.00 H new ATOM 0 HB3 LEU A 75 2.530 4.660 -4.359 1.00 0.00 H new ATOM 0 HG LEU A 75 1.875 2.476 -5.336 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -0.083 2.352 -6.851 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -0.580 2.788 -5.198 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -0.493 4.040 -6.460 1.00 0.00 H new ATOM 0 HD21 LEU A 75 2.133 3.099 -7.727 1.00 0.00 H new ATOM 0 HD22 LEU A 75 1.726 4.785 -7.330 1.00 0.00 H new ATOM 0 HD23 LEU A 75 3.221 4.059 -6.697 1.00 0.00 H new ATOM 555 N ARG A 76 1.289 5.743 -1.823 1.00 0.00 N ATOM 556 CA ARG A 76 1.968 6.296 -0.660 1.00 0.00 C ATOM 557 C ARG A 76 1.586 5.531 0.606 1.00 0.00 C ATOM 558 O ARG A 76 2.456 5.186 1.404 1.00 0.00 O ATOM 559 CB ARG A 76 1.591 7.772 -0.493 1.00 0.00 C ATOM 560 CG ARG A 76 2.219 8.599 -1.618 1.00 0.00 C ATOM 561 CD ARG A 76 1.796 10.062 -1.471 1.00 0.00 C ATOM 562 NE ARG A 76 2.375 10.870 -2.539 1.00 0.00 N ATOM 563 CZ ARG A 76 2.130 12.174 -2.627 1.00 0.00 C ATOM 564 NH1 ARG A 76 2.656 12.874 -3.594 1.00 0.00 N ATOM 565 NH2 ARG A 76 1.358 12.752 -1.748 1.00 0.00 N ATOM 0 H ARG A 76 0.726 6.413 -2.347 1.00 0.00 H new ATOM 0 HA ARG A 76 3.043 6.204 -0.815 1.00 0.00 H new ATOM 0 HB2 ARG A 76 0.507 7.884 -0.509 1.00 0.00 H new ATOM 0 HB3 ARG A 76 1.935 8.137 0.475 1.00 0.00 H new ATOM 0 HG2 ARG A 76 3.305 8.518 -1.581 1.00 0.00 H new ATOM 0 HG3 ARG A 76 1.903 8.213 -2.587 1.00 0.00 H new ATOM 0 HD2 ARG A 76 0.709 10.137 -1.498 1.00 0.00 H new ATOM 0 HD3 ARG A 76 2.118 10.444 -0.502 1.00 0.00 H new ATOM 0 HE ARG A 76 2.979 10.426 -3.231 1.00 0.00 H new ATOM 0 HH11 ARG A 76 3.256 12.421 -4.284 1.00 0.00 H new ATOM 0 HH12 ARG A 76 2.467 13.874 -3.661 1.00 0.00 H new ATOM 0 HH21 ARG A 76 0.943 12.204 -0.995 1.00 0.00 H new ATOM 0 HH22 ARG A 76 1.169 13.752 -1.814 1.00 0.00 H new ATOM 579 N LYS A 77 0.298 5.243 0.786 1.00 0.00 N ATOM 580 CA LYS A 77 -0.125 4.490 1.965 1.00 0.00 C ATOM 581 C LYS A 77 0.423 3.067 1.896 1.00 0.00 C ATOM 582 O LYS A 77 1.007 2.559 2.855 1.00 0.00 O ATOM 583 CB LYS A 77 -1.654 4.442 2.028 1.00 0.00 C ATOM 584 CG LYS A 77 -2.198 5.843 2.328 1.00 0.00 C ATOM 585 CD LYS A 77 -3.723 5.872 2.161 1.00 0.00 C ATOM 586 CE LYS A 77 -4.399 5.076 3.282 1.00 0.00 C ATOM 587 NZ LYS A 77 -5.872 5.298 3.222 1.00 0.00 N ATOM 0 H LYS A 77 -0.453 5.511 0.150 1.00 0.00 H new ATOM 0 HA LYS A 77 0.260 4.983 2.857 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -2.056 4.079 1.082 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -1.975 3.743 2.800 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -1.932 6.134 3.344 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -1.739 6.570 1.658 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -4.077 6.903 2.174 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -3.997 5.453 1.193 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -4.175 4.015 3.177 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -4.011 5.389 4.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -6.335 4.759 3.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -6.076 6.311 3.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -6.234 4.979 2.301 1.00 0.00 H new ATOM 601 N LEU A 78 0.192 2.427 0.751 1.00 0.00 N ATOM 602 CA LEU A 78 0.624 1.045 0.546 1.00 0.00 C ATOM 603 C LEU A 78 1.991 0.819 1.183 1.00 0.00 C ATOM 604 O LEU A 78 2.107 0.082 2.162 1.00 0.00 O ATOM 605 CB LEU A 78 0.699 0.722 -0.950 1.00 0.00 C ATOM 606 CG LEU A 78 -0.409 -0.266 -1.328 1.00 0.00 C ATOM 607 CD1 LEU A 78 -1.774 0.404 -1.175 1.00 0.00 C ATOM 608 CD2 LEU A 78 -0.216 -0.713 -2.778 1.00 0.00 C ATOM 0 H LEU A 78 -0.290 2.841 -0.047 1.00 0.00 H new ATOM 0 HA LEU A 78 -0.106 0.386 1.016 1.00 0.00 H new ATOM 0 HB2 LEU A 78 0.597 1.637 -1.534 1.00 0.00 H new ATOM 0 HB3 LEU A 78 1.674 0.298 -1.191 1.00 0.00 H new ATOM 0 HG LEU A 78 -0.361 -1.133 -0.669 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -2.559 -0.303 -1.445 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.910 0.720 -0.141 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -1.828 1.274 -1.830 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -1.003 -1.416 -3.050 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -0.262 0.155 -3.436 1.00 0.00 H new ATOM 0 HD23 LEU A 78 0.755 -1.197 -2.883 1.00 0.00 H new ATOM 620 N GLN A 79 3.024 1.441 0.628 1.00 0.00 N ATOM 621 CA GLN A 79 4.369 1.272 1.164 1.00 0.00 C ATOM 622 C GLN A 79 4.367 1.585 2.656 1.00 0.00 C ATOM 623 O GLN A 79 5.055 0.928 3.438 1.00 0.00 O ATOM 624 CB GLN A 79 5.343 2.205 0.436 1.00 0.00 C ATOM 625 CG GLN A 79 6.770 1.946 0.928 1.00 0.00 C ATOM 626 CD GLN A 79 7.746 2.873 0.209 1.00 0.00 C ATOM 627 OE1 GLN A 79 7.606 4.094 0.275 1.00 0.00 O ATOM 628 NE2 GLN A 79 8.733 2.363 -0.476 1.00 0.00 N ATOM 0 H GLN A 79 2.959 2.058 -0.181 1.00 0.00 H new ATOM 0 HA GLN A 79 4.689 0.241 1.013 1.00 0.00 H new ATOM 0 HB2 GLN A 79 5.283 2.041 -0.640 1.00 0.00 H new ATOM 0 HB3 GLN A 79 5.069 3.245 0.616 1.00 0.00 H new ATOM 0 HG2 GLN A 79 6.827 2.108 2.004 1.00 0.00 H new ATOM 0 HG3 GLN A 79 7.043 0.906 0.747 1.00 0.00 H new ATOM 0 HE21 GLN A 79 8.847 1.351 -0.529 1.00 0.00 H new ATOM 0 HE22 GLN A 79 9.390 2.977 -0.958 1.00 0.00 H new ATOM 637 N ALA A 80 3.575 2.574 3.043 1.00 0.00 N ATOM 638 CA ALA A 80 3.476 2.948 4.448 1.00 0.00 C ATOM 639 C ALA A 80 2.987 1.756 5.265 1.00 0.00 C ATOM 640 O ALA A 80 3.436 1.538 6.391 1.00 0.00 O ATOM 641 CB ALA A 80 2.505 4.118 4.620 1.00 0.00 C ATOM 0 H ALA A 80 2.996 3.128 2.412 1.00 0.00 H new ATOM 0 HA ALA A 80 4.462 3.252 4.799 1.00 0.00 H new ATOM 0 HB1 ALA A 80 2.441 4.386 5.675 1.00 0.00 H new ATOM 0 HB2 ALA A 80 2.863 4.975 4.049 1.00 0.00 H new ATOM 0 HB3 ALA A 80 1.518 3.828 4.259 1.00 0.00 H new ATOM 647 N ASP A 81 2.074 0.980 4.685 1.00 0.00 N ATOM 648 CA ASP A 81 1.545 -0.198 5.365 1.00 0.00 C ATOM 649 C ASP A 81 2.468 -1.393 5.142 1.00 0.00 C ATOM 650 O ASP A 81 2.322 -2.436 5.780 1.00 0.00 O ATOM 651 CB ASP A 81 0.146 -0.524 4.836 1.00 0.00 C ATOM 652 CG ASP A 81 -0.845 0.539 5.296 1.00 0.00 C ATOM 653 OD1 ASP A 81 -0.499 1.297 6.187 1.00 0.00 O ATOM 654 OD2 ASP A 81 -1.934 0.581 4.748 1.00 0.00 O ATOM 0 H ASP A 81 1.689 1.144 3.755 1.00 0.00 H new ATOM 0 HA ASP A 81 1.486 0.012 6.433 1.00 0.00 H new ATOM 0 HB2 ASP A 81 0.162 -0.572 3.747 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -0.168 -1.505 5.193 1.00 0.00 H new ATOM 659 N GLY A 82 3.422 -1.222 4.233 1.00 0.00 N ATOM 660 CA GLY A 82 4.377 -2.282 3.926 1.00 0.00 C ATOM 661 C GLY A 82 3.721 -3.404 3.127 1.00 0.00 C ATOM 662 O GLY A 82 4.209 -4.535 3.114 1.00 0.00 O ATOM 0 H GLY A 82 3.555 -0.364 3.698 1.00 0.00 H new ATOM 0 HA2 GLY A 82 5.212 -1.869 3.360 1.00 0.00 H new ATOM 0 HA3 GLY A 82 4.788 -2.684 4.852 1.00 0.00 H new ATOM 666 N ARG A 83 2.611 -3.092 2.466 1.00 0.00 N ATOM 667 CA ARG A 83 1.899 -4.076 1.678 1.00 0.00 C ATOM 668 C ARG A 83 2.785 -4.619 0.563 1.00 0.00 C ATOM 669 O ARG A 83 2.749 -5.809 0.253 1.00 0.00 O ATOM 670 CB ARG A 83 0.655 -3.444 1.065 1.00 0.00 C ATOM 671 CG ARG A 83 -0.197 -4.545 0.461 1.00 0.00 C ATOM 672 CD ARG A 83 -1.474 -3.953 -0.132 1.00 0.00 C ATOM 673 NE ARG A 83 -2.339 -5.017 -0.630 1.00 0.00 N ATOM 674 CZ ARG A 83 -2.155 -5.548 -1.835 1.00 0.00 C ATOM 675 NH1 ARG A 83 -2.945 -6.497 -2.260 1.00 0.00 N ATOM 676 NH2 ARG A 83 -1.183 -5.121 -2.594 1.00 0.00 N ATOM 0 H ARG A 83 2.189 -2.163 2.464 1.00 0.00 H new ATOM 0 HA ARG A 83 1.613 -4.898 2.334 1.00 0.00 H new ATOM 0 HB2 ARG A 83 0.091 -2.903 1.825 1.00 0.00 H new ATOM 0 HB3 ARG A 83 0.936 -2.720 0.300 1.00 0.00 H new ATOM 0 HG2 ARG A 83 0.365 -5.067 -0.313 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -0.448 -5.282 1.224 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -2.000 -3.372 0.625 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -1.224 -3.268 -0.943 1.00 0.00 H new ATOM 0 HE ARG A 83 -3.099 -5.360 -0.043 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -3.705 -6.832 -1.667 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -2.803 -6.903 -3.185 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -0.565 -4.380 -2.263 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -1.041 -5.528 -3.518 1.00 0.00 H new ATOM 690 N ILE A 84 3.583 -3.741 -0.033 1.00 0.00 N ATOM 691 CA ILE A 84 4.474 -4.145 -1.110 1.00 0.00 C ATOM 692 C ILE A 84 5.787 -4.673 -0.542 1.00 0.00 C ATOM 693 O ILE A 84 6.043 -4.560 0.657 1.00 0.00 O ATOM 694 CB ILE A 84 4.734 -2.962 -2.043 1.00 0.00 C ATOM 695 CG1 ILE A 84 5.183 -1.746 -1.225 1.00 0.00 C ATOM 696 CG2 ILE A 84 3.448 -2.624 -2.800 1.00 0.00 C ATOM 697 CD1 ILE A 84 5.610 -0.620 -2.172 1.00 0.00 C ATOM 0 H ILE A 84 3.630 -2.752 0.210 1.00 0.00 H new ATOM 0 HA ILE A 84 3.999 -4.944 -1.679 1.00 0.00 H new ATOM 0 HB ILE A 84 5.518 -3.225 -2.753 1.00 0.00 H new ATOM 0 HG12 ILE A 84 4.370 -1.406 -0.583 1.00 0.00 H new ATOM 0 HG13 ILE A 84 6.012 -2.020 -0.572 1.00 0.00 H new ATOM 0 HG21 ILE A 84 3.629 -1.781 -3.467 1.00 0.00 H new ATOM 0 HG22 ILE A 84 3.132 -3.488 -3.385 1.00 0.00 H new ATOM 0 HG23 ILE A 84 2.665 -2.362 -2.088 1.00 0.00 H new ATOM 0 HD11 ILE A 84 5.929 0.244 -1.589 1.00 0.00 H new ATOM 0 HD12 ILE A 84 6.436 -0.962 -2.795 1.00 0.00 H new ATOM 0 HD13 ILE A 84 4.769 -0.339 -2.806 1.00 0.00 H new ATOM 709 N THR A 85 6.605 -5.271 -1.402 1.00 0.00 N ATOM 710 CA THR A 85 7.870 -5.834 -0.955 1.00 0.00 C ATOM 711 C THR A 85 8.724 -4.780 -0.258 1.00 0.00 C ATOM 712 O THR A 85 8.982 -3.707 -0.807 1.00 0.00 O ATOM 713 CB THR A 85 8.626 -6.396 -2.160 1.00 0.00 C ATOM 714 OG1 THR A 85 10.017 -6.419 -1.880 1.00 0.00 O ATOM 715 CG2 THR A 85 8.362 -5.520 -3.385 1.00 0.00 C ATOM 0 H THR A 85 6.417 -5.377 -2.399 1.00 0.00 H new ATOM 0 HA THR A 85 7.663 -6.630 -0.240 1.00 0.00 H new ATOM 0 HB THR A 85 8.282 -7.410 -2.362 1.00 0.00 H new ATOM 0 HG1 THR A 85 10.189 -7.024 -1.128 1.00 0.00 H new ATOM 0 HG21 THR A 85 8.901 -5.922 -4.243 1.00 0.00 H new ATOM 0 HG22 THR A 85 7.294 -5.509 -3.601 1.00 0.00 H new ATOM 0 HG23 THR A 85 8.702 -4.504 -3.186 1.00 0.00 H new ATOM 723 N GLU A 86 9.159 -5.099 0.958 1.00 0.00 N ATOM 724 CA GLU A 86 9.986 -4.184 1.736 1.00 0.00 C ATOM 725 C GLU A 86 11.396 -4.102 1.165 1.00 0.00 C ATOM 726 O GLU A 86 12.131 -3.155 1.441 1.00 0.00 O ATOM 727 CB GLU A 86 10.039 -4.648 3.196 1.00 0.00 C ATOM 728 CG GLU A 86 10.763 -5.994 3.291 1.00 0.00 C ATOM 729 CD GLU A 86 10.699 -6.518 4.720 1.00 0.00 C ATOM 730 OE1 GLU A 86 10.112 -5.845 5.552 1.00 0.00 O ATOM 731 OE2 GLU A 86 11.235 -7.588 4.963 1.00 0.00 O ATOM 0 H GLU A 86 8.953 -5.982 1.424 1.00 0.00 H new ATOM 0 HA GLU A 86 9.540 -3.190 1.686 1.00 0.00 H new ATOM 0 HB2 GLU A 86 10.554 -3.905 3.804 1.00 0.00 H new ATOM 0 HB3 GLU A 86 9.028 -4.740 3.594 1.00 0.00 H new ATOM 0 HG2 GLU A 86 10.305 -6.712 2.610 1.00 0.00 H new ATOM 0 HG3 GLU A 86 11.802 -5.880 2.982 1.00 0.00 H new ATOM 738 N GLU A 87 11.770 -5.099 0.371 1.00 0.00 N ATOM 739 CA GLU A 87 13.099 -5.128 -0.225 1.00 0.00 C ATOM 740 C GLU A 87 13.317 -3.905 -1.108 1.00 0.00 C ATOM 741 O GLU A 87 14.399 -3.321 -1.112 1.00 0.00 O ATOM 742 CB GLU A 87 13.281 -6.409 -1.048 1.00 0.00 C ATOM 743 CG GLU A 87 13.397 -7.630 -0.121 1.00 0.00 C ATOM 744 CD GLU A 87 12.020 -8.063 0.372 1.00 0.00 C ATOM 745 OE1 GLU A 87 11.042 -7.486 -0.067 1.00 0.00 O ATOM 746 OE2 GLU A 87 11.965 -8.969 1.186 1.00 0.00 O ATOM 0 H GLU A 87 11.176 -5.892 0.127 1.00 0.00 H new ATOM 0 HA GLU A 87 13.837 -5.113 0.577 1.00 0.00 H new ATOM 0 HB2 GLU A 87 12.436 -6.537 -1.725 1.00 0.00 H new ATOM 0 HB3 GLU A 87 14.175 -6.328 -1.666 1.00 0.00 H new ATOM 0 HG2 GLU A 87 13.874 -8.453 -0.653 1.00 0.00 H new ATOM 0 HG3 GLU A 87 14.034 -7.388 0.730 1.00 0.00 H new ATOM 753 N GLN A 88 12.286 -3.510 -1.847 1.00 0.00 N ATOM 754 CA GLN A 88 12.399 -2.342 -2.708 1.00 0.00 C ATOM 755 C GLN A 88 12.648 -1.100 -1.864 1.00 0.00 C ATOM 756 O GLN A 88 13.446 -0.236 -2.226 1.00 0.00 O ATOM 757 CB GLN A 88 11.116 -2.167 -3.513 1.00 0.00 C ATOM 758 CG GLN A 88 11.023 -3.289 -4.542 1.00 0.00 C ATOM 759 CD GLN A 88 9.660 -3.259 -5.225 1.00 0.00 C ATOM 760 OE1 GLN A 88 8.676 -2.817 -4.631 1.00 0.00 O ATOM 761 NE2 GLN A 88 9.542 -3.707 -6.445 1.00 0.00 N ATOM 0 H GLN A 88 11.378 -3.973 -1.867 1.00 0.00 H new ATOM 0 HA GLN A 88 13.235 -2.484 -3.392 1.00 0.00 H new ATOM 0 HB2 GLN A 88 10.250 -2.189 -2.852 1.00 0.00 H new ATOM 0 HB3 GLN A 88 11.112 -1.197 -4.011 1.00 0.00 H new ATOM 0 HG2 GLN A 88 11.813 -3.179 -5.284 1.00 0.00 H new ATOM 0 HG3 GLN A 88 11.174 -4.253 -4.056 1.00 0.00 H new ATOM 0 HE21 GLN A 88 10.358 -4.073 -6.935 1.00 0.00 H new ATOM 0 HE22 GLN A 88 8.633 -3.691 -6.908 1.00 0.00 H new ATOM 770 N ALA A 89 11.965 -1.032 -0.727 1.00 0.00 N ATOM 771 CA ALA A 89 12.116 0.095 0.183 1.00 0.00 C ATOM 772 C ALA A 89 13.551 0.172 0.690 1.00 0.00 C ATOM 773 O ALA A 89 14.108 1.259 0.845 1.00 0.00 O ATOM 774 CB ALA A 89 11.159 -0.056 1.366 1.00 0.00 C ATOM 0 H ALA A 89 11.303 -1.742 -0.415 1.00 0.00 H new ATOM 0 HA ALA A 89 11.879 1.013 -0.355 1.00 0.00 H new ATOM 0 HB1 ALA A 89 11.279 0.791 2.041 1.00 0.00 H new ATOM 0 HB2 ALA A 89 10.132 -0.087 1.002 1.00 0.00 H new ATOM 0 HB3 ALA A 89 11.383 -0.980 1.900 1.00 0.00 H new ATOM 780 N LYS A 90 14.144 -0.990 0.948 1.00 0.00 N ATOM 781 CA LYS A 90 15.518 -1.038 1.441 1.00 0.00 C ATOM 782 C LYS A 90 16.475 -0.427 0.425 1.00 0.00 C ATOM 783 O LYS A 90 17.423 0.265 0.794 1.00 0.00 O ATOM 784 CB LYS A 90 15.933 -2.488 1.728 1.00 0.00 C ATOM 785 CG LYS A 90 15.796 -2.794 3.227 1.00 0.00 C ATOM 786 CD LYS A 90 14.326 -2.726 3.641 1.00 0.00 C ATOM 787 CE LYS A 90 14.201 -3.031 5.134 1.00 0.00 C ATOM 788 NZ LYS A 90 12.767 -2.967 5.536 1.00 0.00 N ATOM 0 H LYS A 90 13.702 -1.901 0.826 1.00 0.00 H new ATOM 0 HA LYS A 90 15.566 -0.461 2.365 1.00 0.00 H new ATOM 0 HB2 LYS A 90 15.311 -3.173 1.152 1.00 0.00 H new ATOM 0 HB3 LYS A 90 16.963 -2.649 1.410 1.00 0.00 H new ATOM 0 HG2 LYS A 90 16.198 -3.784 3.443 1.00 0.00 H new ATOM 0 HG3 LYS A 90 16.380 -2.079 3.808 1.00 0.00 H new ATOM 0 HD2 LYS A 90 13.922 -1.737 3.426 1.00 0.00 H new ATOM 0 HD3 LYS A 90 13.741 -3.441 3.063 1.00 0.00 H new ATOM 0 HE2 LYS A 90 14.606 -4.020 5.349 1.00 0.00 H new ATOM 0 HE3 LYS A 90 14.784 -2.315 5.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 12.695 -3.005 6.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 12.350 -2.079 5.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 12.255 -3.772 5.123 1.00 0.00 H new ATOM 802 N ALA A 91 16.225 -0.684 -0.856 1.00 0.00 N ATOM 803 CA ALA A 91 17.080 -0.148 -1.906 1.00 0.00 C ATOM 804 C ALA A 91 17.075 1.379 -1.869 1.00 0.00 C ATOM 805 O ALA A 91 18.114 2.018 -2.027 1.00 0.00 O ATOM 806 CB ALA A 91 16.589 -0.629 -3.272 1.00 0.00 C ATOM 0 H ALA A 91 15.446 -1.253 -1.188 1.00 0.00 H new ATOM 0 HA ALA A 91 18.098 -0.502 -1.741 1.00 0.00 H new ATOM 0 HB1 ALA A 91 17.233 -0.225 -4.053 1.00 0.00 H new ATOM 0 HB2 ALA A 91 16.617 -1.718 -3.306 1.00 0.00 H new ATOM 0 HB3 ALA A 91 15.566 -0.288 -3.432 1.00 0.00 H new ATOM 812 N TYR A 92 15.898 1.954 -1.656 1.00 0.00 N ATOM 813 CA TYR A 92 15.765 3.405 -1.592 1.00 0.00 C ATOM 814 C TYR A 92 16.526 3.971 -0.392 1.00 0.00 C ATOM 815 O TYR A 92 17.213 4.987 -0.503 1.00 0.00 O ATOM 816 CB TYR A 92 14.289 3.790 -1.488 1.00 0.00 C ATOM 817 CG TYR A 92 14.163 5.296 -1.489 1.00 0.00 C ATOM 818 CD1 TYR A 92 14.246 6.000 -2.697 1.00 0.00 C ATOM 819 CD2 TYR A 92 13.964 5.986 -0.287 1.00 0.00 C ATOM 820 CE1 TYR A 92 14.131 7.394 -2.702 1.00 0.00 C ATOM 821 CE2 TYR A 92 13.849 7.382 -0.293 1.00 0.00 C ATOM 822 CZ TYR A 92 13.931 8.086 -1.501 1.00 0.00 C ATOM 823 OH TYR A 92 13.818 9.462 -1.508 1.00 0.00 O ATOM 0 H TYR A 92 15.026 1.442 -1.525 1.00 0.00 H new ATOM 0 HA TYR A 92 16.190 3.825 -2.504 1.00 0.00 H new ATOM 0 HB2 TYR A 92 13.731 3.367 -2.323 1.00 0.00 H new ATOM 0 HB3 TYR A 92 13.858 3.378 -0.576 1.00 0.00 H new ATOM 0 HD1 TYR A 92 14.399 5.467 -3.624 1.00 0.00 H new ATOM 0 HD2 TYR A 92 13.899 5.442 0.644 1.00 0.00 H new ATOM 0 HE1 TYR A 92 14.197 7.937 -3.633 1.00 0.00 H new ATOM 0 HE2 TYR A 92 13.697 7.915 0.634 1.00 0.00 H new ATOM 0 HH TYR A 92 13.681 9.784 -0.592 1.00 0.00 H new