USER MOD reduce.3.24.130724 H: found=0, std=0, add=524, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 443 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 22 SER OG : rot -120:sc= -1.74 USER MOD Single : A 24 SER OG : rot 22:sc= 1.13 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.284 USER MOD Single : A 30 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 178:sc= 0 USER MOD Single : A 38 HIS : no HD1:sc= -1.52 K(o=-1.5,f=-4.2!) USER MOD Single : A 43 SER OG : rot 180:sc= -1.07 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= -0.0607 USER MOD Single : A 48 MET CE :methyl -115:sc= -1.58 (180deg=-3.46!) USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot 101:sc= 0.0294 USER MOD Single : A 58 ASN : amide:sc= -0.202 K(o=-0.2,f=-1.1) USER MOD Single : A 60 GLN : amide:sc= -0.116 K(o=-0.12,f=-2!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 180:sc= 0.114 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 CYS SG : rot -150:sc= -1.41 USER MOD ----------------------------------------------------------------- ATOM 214 N VAL A 19 -6.411 4.931 1.259 1.00 0.00 N ATOM 215 CA VAL A 19 -6.860 3.650 0.739 1.00 0.00 C ATOM 216 C VAL A 19 -5.878 3.165 -0.328 1.00 0.00 C ATOM 217 O VAL A 19 -5.659 3.843 -1.330 1.00 0.00 O ATOM 218 CB VAL A 19 -8.295 3.769 0.221 1.00 0.00 C ATOM 219 CG1 VAL A 19 -8.327 4.439 -1.154 1.00 0.00 C ATOM 220 CG2 VAL A 19 -8.978 2.401 0.181 1.00 0.00 C ATOM 0 HA VAL A 19 -6.876 2.901 1.531 1.00 0.00 H new ATOM 0 HB VAL A 19 -8.851 4.400 0.914 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -9.358 4.511 -1.500 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -7.897 5.438 -1.082 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -7.748 3.845 -1.862 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -9.996 2.514 -0.191 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -8.422 1.736 -0.480 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -9.003 1.977 1.185 1.00 0.00 H new ATOM 230 N LEU A 20 -5.311 1.994 -0.077 1.00 0.00 N ATOM 231 CA LEU A 20 -4.356 1.410 -1.004 1.00 0.00 C ATOM 232 C LEU A 20 -5.108 0.590 -2.054 1.00 0.00 C ATOM 233 O LEU A 20 -5.357 -0.599 -1.857 1.00 0.00 O ATOM 234 CB LEU A 20 -3.293 0.613 -0.247 1.00 0.00 C ATOM 235 CG LEU A 20 -2.131 1.423 0.331 1.00 0.00 C ATOM 236 CD1 LEU A 20 -1.568 0.757 1.588 1.00 0.00 C ATOM 237 CD2 LEU A 20 -1.050 1.661 -0.725 1.00 0.00 C ATOM 0 H LEU A 20 -5.495 1.434 0.755 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.815 2.192 -1.537 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.780 0.080 0.570 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.885 -0.141 -0.920 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.511 2.400 0.629 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.743 1.354 1.978 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.351 0.683 2.343 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.208 -0.242 1.340 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.236 2.239 -0.288 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.667 0.703 -1.076 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.476 2.211 -1.564 1.00 0.00 H new ATOM 248 N ARG A 21 -5.449 1.257 -3.147 1.00 0.00 N ATOM 249 CA ARG A 21 -6.168 0.604 -4.228 1.00 0.00 C ATOM 250 C ARG A 21 -5.184 -0.050 -5.200 1.00 0.00 C ATOM 251 O ARG A 21 -4.056 0.415 -5.354 1.00 0.00 O ATOM 252 CB ARG A 21 -7.040 1.603 -4.992 1.00 0.00 C ATOM 253 CG ARG A 21 -8.428 1.713 -4.360 1.00 0.00 C ATOM 254 CD ARG A 21 -9.522 1.652 -5.427 1.00 0.00 C ATOM 255 NE ARG A 21 -10.855 1.769 -4.794 1.00 0.00 N ATOM 256 CZ ARG A 21 -11.369 2.918 -4.333 1.00 0.00 C ATOM 257 NH1 ARG A 21 -10.667 4.054 -4.432 1.00 0.00 N ATOM 258 NH2 ARG A 21 -12.587 2.928 -3.772 1.00 0.00 N ATOM 0 H ARG A 21 -5.241 2.243 -3.307 1.00 0.00 H new ATOM 0 HA ARG A 21 -6.810 -0.158 -3.787 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -6.560 2.582 -4.996 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -7.134 1.289 -6.032 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -8.570 0.905 -3.642 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -8.506 2.649 -3.807 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -9.382 2.456 -6.149 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -9.453 0.714 -5.977 1.00 0.00 H new ATOM 0 HE ARG A 21 -11.417 0.923 -4.703 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -9.740 4.045 -4.858 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -11.059 4.928 -4.081 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -13.121 2.062 -3.697 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -12.980 3.801 -3.421 1.00 0.00 H new ATOM 269 N SER A 22 -5.647 -1.120 -5.831 1.00 0.00 N ATOM 270 CA SER A 22 -4.823 -1.843 -6.783 1.00 0.00 C ATOM 271 C SER A 22 -4.793 -1.101 -8.120 1.00 0.00 C ATOM 272 O SER A 22 -5.817 -0.592 -8.573 1.00 0.00 O ATOM 273 CB SER A 22 -5.333 -3.272 -6.980 1.00 0.00 C ATOM 274 OG SER A 22 -4.668 -3.934 -8.053 1.00 0.00 O ATOM 0 H SER A 22 -6.583 -1.503 -5.701 1.00 0.00 H new ATOM 0 HA SER A 22 -3.810 -1.899 -6.384 1.00 0.00 H new ATOM 0 HB2 SER A 22 -5.189 -3.838 -6.060 1.00 0.00 H new ATOM 0 HB3 SER A 22 -6.405 -3.250 -7.176 1.00 0.00 H new ATOM 0 HG SER A 22 -5.324 -4.200 -8.730 1.00 0.00 H new ATOM 279 N PRO A 23 -3.578 -1.061 -8.729 1.00 0.00 N ATOM 280 CA PRO A 23 -3.403 -0.389 -10.006 1.00 0.00 C ATOM 281 C PRO A 23 -3.988 -1.222 -11.149 1.00 0.00 C ATOM 282 O PRO A 23 -4.367 -0.680 -12.186 1.00 0.00 O ATOM 283 CB PRO A 23 -1.904 -0.174 -10.135 1.00 0.00 C ATOM 284 CG PRO A 23 -1.258 -1.140 -9.155 1.00 0.00 C ATOM 285 CD PRO A 23 -2.344 -1.653 -8.223 1.00 0.00 C ATOM 0 HA PRO A 23 -3.934 0.561 -10.057 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -1.568 -0.368 -11.154 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -1.636 0.856 -9.902 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -0.789 -1.968 -9.687 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -0.473 -0.640 -8.588 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -2.394 -2.742 -8.235 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -2.155 -1.353 -7.192 1.00 0.00 H new ATOM 290 N SER A 24 -4.043 -2.525 -10.921 1.00 0.00 N ATOM 291 CA SER A 24 -4.576 -3.438 -11.918 1.00 0.00 C ATOM 292 C SER A 24 -4.892 -4.790 -11.274 1.00 0.00 C ATOM 293 O SER A 24 -4.289 -5.159 -10.268 1.00 0.00 O ATOM 294 CB SER A 24 -3.595 -3.620 -13.078 1.00 0.00 C ATOM 295 OG SER A 24 -3.678 -2.553 -14.019 1.00 0.00 O ATOM 0 H SER A 24 -3.727 -2.971 -10.060 1.00 0.00 H new ATOM 0 HA SER A 24 -5.495 -3.009 -12.318 1.00 0.00 H new ATOM 0 HB2 SER A 24 -2.579 -3.681 -12.688 1.00 0.00 H new ATOM 0 HB3 SER A 24 -3.800 -4.565 -13.582 1.00 0.00 H new ATOM 0 HG SER A 24 -4.067 -1.764 -13.586 1.00 0.00 H new ATOM 300 N ALA A 25 -5.838 -5.492 -11.882 1.00 0.00 N ATOM 301 CA ALA A 25 -6.241 -6.795 -11.381 1.00 0.00 C ATOM 302 C ALA A 25 -4.999 -7.660 -11.163 1.00 0.00 C ATOM 303 O ALA A 25 -3.899 -7.286 -11.566 1.00 0.00 O ATOM 304 CB ALA A 25 -7.232 -7.433 -12.357 1.00 0.00 C ATOM 0 H ALA A 25 -6.336 -5.183 -12.716 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.746 -6.697 -10.420 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -7.534 -8.411 -11.981 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -8.110 -6.794 -12.454 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -6.759 -7.550 -13.332 1.00 0.00 H new ATOM 310 N GLY A 26 -5.216 -8.800 -10.524 1.00 0.00 N ATOM 311 CA GLY A 26 -4.127 -9.721 -10.246 1.00 0.00 C ATOM 312 C GLY A 26 -4.538 -10.755 -9.196 1.00 0.00 C ATOM 313 O GLY A 26 -5.651 -11.278 -9.236 1.00 0.00 O ATOM 0 H GLY A 26 -6.130 -9.107 -10.191 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -3.831 -10.228 -11.165 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -3.257 -9.166 -9.894 1.00 0.00 H new ATOM 317 N LYS A 27 -3.617 -11.021 -8.281 1.00 0.00 N ATOM 318 CA LYS A 27 -3.869 -11.984 -7.222 1.00 0.00 C ATOM 319 C LYS A 27 -2.931 -11.700 -6.047 1.00 0.00 C ATOM 320 O LYS A 27 -1.715 -11.829 -6.174 1.00 0.00 O ATOM 321 CB LYS A 27 -3.765 -13.412 -7.761 1.00 0.00 C ATOM 322 CG LYS A 27 -5.128 -14.107 -7.735 1.00 0.00 C ATOM 323 CD LYS A 27 -5.181 -15.247 -8.755 1.00 0.00 C ATOM 324 CE LYS A 27 -5.778 -16.511 -8.134 1.00 0.00 C ATOM 325 NZ LYS A 27 -7.234 -16.579 -8.393 1.00 0.00 N ATOM 0 H LYS A 27 -2.695 -10.586 -8.251 1.00 0.00 H new ATOM 0 HA LYS A 27 -4.888 -11.882 -6.849 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -3.382 -13.393 -8.781 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -3.052 -13.979 -7.163 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -5.322 -14.498 -6.736 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -5.914 -13.383 -7.952 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -5.778 -14.943 -9.615 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -4.177 -15.458 -9.123 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -5.288 -17.393 -8.547 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -5.593 -16.518 -7.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -7.623 -17.443 -7.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -7.700 -15.747 -7.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -7.404 -16.595 -9.419 1.00 0.00 H new ATOM 335 N LEU A 28 -3.534 -11.319 -4.931 1.00 0.00 N ATOM 336 CA LEU A 28 -2.768 -11.015 -3.734 1.00 0.00 C ATOM 337 C LEU A 28 -2.064 -12.284 -3.248 1.00 0.00 C ATOM 338 O LEU A 28 -2.481 -13.394 -3.578 1.00 0.00 O ATOM 339 CB LEU A 28 -3.661 -10.366 -2.675 1.00 0.00 C ATOM 340 CG LEU A 28 -2.944 -9.788 -1.454 1.00 0.00 C ATOM 341 CD1 LEU A 28 -2.245 -8.472 -1.802 1.00 0.00 C ATOM 342 CD2 LEU A 28 -3.907 -9.631 -0.275 1.00 0.00 C ATOM 0 H LEU A 28 -4.544 -11.214 -4.830 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.992 -10.283 -3.956 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.230 -9.566 -3.149 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.381 -11.109 -2.331 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.171 -10.493 -1.146 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.743 -8.082 -0.917 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.511 -8.647 -2.588 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.983 -7.749 -2.149 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.371 -9.218 0.580 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -4.718 -8.958 -0.555 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -4.319 -10.605 -0.009 1.00 0.00 H new ATOM 353 N THR A 29 -1.008 -12.079 -2.474 1.00 0.00 N ATOM 354 CA THR A 29 -0.243 -13.192 -1.941 1.00 0.00 C ATOM 355 C THR A 29 0.136 -12.929 -0.482 1.00 0.00 C ATOM 356 O THR A 29 -0.197 -13.717 0.401 1.00 0.00 O ATOM 357 CB THR A 29 0.966 -13.415 -2.852 1.00 0.00 C ATOM 358 OG1 THR A 29 1.688 -12.189 -2.775 1.00 0.00 O ATOM 359 CG2 THR A 29 0.575 -13.524 -4.327 1.00 0.00 C ATOM 0 H THR A 29 -0.665 -11.157 -2.203 1.00 0.00 H new ATOM 0 HA THR A 29 -0.833 -14.108 -1.931 1.00 0.00 H new ATOM 0 HB THR A 29 1.489 -14.322 -2.547 1.00 0.00 H new ATOM 0 HG1 THR A 29 2.490 -12.246 -3.335 1.00 0.00 H new ATOM 0 HG21 THR A 29 1.469 -13.682 -4.930 1.00 0.00 H new ATOM 0 HG22 THR A 29 -0.106 -14.364 -4.462 1.00 0.00 H new ATOM 0 HG23 THR A 29 0.083 -12.604 -4.642 1.00 0.00 H new ATOM 367 N GLN A 30 0.828 -11.818 -0.275 1.00 0.00 N ATOM 368 CA GLN A 30 1.255 -11.441 1.061 1.00 0.00 C ATOM 369 C GLN A 30 1.999 -10.104 1.024 1.00 0.00 C ATOM 370 O GLN A 30 2.260 -9.565 -0.051 1.00 0.00 O ATOM 371 CB GLN A 30 2.124 -12.533 1.687 1.00 0.00 C ATOM 372 CG GLN A 30 3.451 -12.675 0.939 1.00 0.00 C ATOM 373 CD GLN A 30 4.478 -13.434 1.781 1.00 0.00 C ATOM 374 OE1 GLN A 30 4.157 -14.071 2.771 1.00 0.00 O ATOM 375 NE2 GLN A 30 5.726 -13.334 1.334 1.00 0.00 N ATOM 0 H GLN A 30 1.103 -11.167 -1.010 1.00 0.00 H new ATOM 0 HA GLN A 30 0.369 -11.324 1.685 1.00 0.00 H new ATOM 0 HB2 GLN A 30 2.316 -12.295 2.733 1.00 0.00 H new ATOM 0 HB3 GLN A 30 1.589 -13.483 1.669 1.00 0.00 H new ATOM 0 HG2 GLN A 30 3.287 -13.201 -0.002 1.00 0.00 H new ATOM 0 HG3 GLN A 30 3.839 -11.687 0.689 1.00 0.00 H new ATOM 0 HE21 GLN A 30 5.926 -12.784 0.498 1.00 0.00 H new ATOM 0 HE22 GLN A 30 6.484 -13.807 1.827 1.00 0.00 H new ATOM 382 N TYR A 31 2.316 -9.606 2.209 1.00 0.00 N ATOM 383 CA TYR A 31 3.024 -8.343 2.325 1.00 0.00 C ATOM 384 C TYR A 31 4.503 -8.569 2.644 1.00 0.00 C ATOM 385 O TYR A 31 4.901 -9.675 3.008 1.00 0.00 O ATOM 386 CB TYR A 31 2.371 -7.600 3.492 1.00 0.00 C ATOM 387 CG TYR A 31 2.215 -8.443 4.758 1.00 0.00 C ATOM 388 CD1 TYR A 31 3.330 -8.820 5.478 1.00 0.00 C ATOM 389 CD2 TYR A 31 0.959 -8.828 5.181 1.00 0.00 C ATOM 390 CE1 TYR A 31 3.183 -9.615 6.670 1.00 0.00 C ATOM 391 CE2 TYR A 31 0.812 -9.624 6.372 1.00 0.00 C ATOM 392 CZ TYR A 31 1.932 -9.977 7.058 1.00 0.00 C ATOM 393 OH TYR A 31 1.793 -10.728 8.184 1.00 0.00 O ATOM 0 H TYR A 31 2.096 -10.054 3.098 1.00 0.00 H new ATOM 0 HA TYR A 31 2.969 -7.785 1.390 1.00 0.00 H new ATOM 0 HB2 TYR A 31 2.967 -6.718 3.727 1.00 0.00 H new ATOM 0 HB3 TYR A 31 1.388 -7.247 3.180 1.00 0.00 H new ATOM 0 HD1 TYR A 31 4.313 -8.519 5.148 1.00 0.00 H new ATOM 0 HD2 TYR A 31 0.086 -8.532 4.618 1.00 0.00 H new ATOM 0 HE1 TYR A 31 4.048 -9.917 7.243 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -0.165 -9.933 6.713 1.00 0.00 H new ATOM 0 HH TYR A 31 0.843 -10.911 8.340 1.00 0.00 H new ATOM 402 N THR A 32 5.277 -7.505 2.496 1.00 0.00 N ATOM 403 CA THR A 32 6.704 -7.574 2.764 1.00 0.00 C ATOM 404 C THR A 32 7.060 -6.718 3.980 1.00 0.00 C ATOM 405 O THR A 32 8.237 -6.515 4.279 1.00 0.00 O ATOM 406 CB THR A 32 7.445 -7.158 1.491 1.00 0.00 C ATOM 407 OG1 THR A 32 7.275 -5.744 1.435 1.00 0.00 O ATOM 408 CG2 THR A 32 6.757 -7.666 0.222 1.00 0.00 C ATOM 0 H THR A 32 4.944 -6.590 2.194 1.00 0.00 H new ATOM 0 HA THR A 32 7.010 -8.589 3.019 1.00 0.00 H new ATOM 0 HB THR A 32 8.467 -7.535 1.527 1.00 0.00 H new ATOM 0 HG1 THR A 32 7.748 -5.388 0.654 1.00 0.00 H new ATOM 0 HG21 THR A 32 7.322 -7.344 -0.652 1.00 0.00 H new ATOM 0 HG22 THR A 32 6.712 -8.755 0.244 1.00 0.00 H new ATOM 0 HG23 THR A 32 5.746 -7.262 0.170 1.00 0.00 H new ATOM 416 N VAL A 33 6.023 -6.237 4.650 1.00 0.00 N ATOM 417 CA VAL A 33 6.212 -5.407 5.828 1.00 0.00 C ATOM 418 C VAL A 33 5.456 -6.023 7.006 1.00 0.00 C ATOM 419 O VAL A 33 4.515 -6.791 6.812 1.00 0.00 O ATOM 420 CB VAL A 33 5.784 -3.969 5.529 1.00 0.00 C ATOM 421 CG1 VAL A 33 6.269 -3.529 4.145 1.00 0.00 C ATOM 422 CG2 VAL A 33 4.267 -3.811 5.653 1.00 0.00 C ATOM 0 H VAL A 33 5.049 -6.406 4.400 1.00 0.00 H new ATOM 0 HA VAL A 33 7.266 -5.367 6.103 1.00 0.00 H new ATOM 0 HB VAL A 33 6.250 -3.320 6.270 1.00 0.00 H new ATOM 0 HG11 VAL A 33 5.951 -2.503 3.957 1.00 0.00 H new ATOM 0 HG12 VAL A 33 7.357 -3.585 4.106 1.00 0.00 H new ATOM 0 HG13 VAL A 33 5.844 -4.185 3.385 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.990 -2.780 5.435 1.00 0.00 H new ATOM 0 HG22 VAL A 33 3.773 -4.477 4.945 1.00 0.00 H new ATOM 0 HG23 VAL A 33 3.956 -4.064 6.667 1.00 0.00 H new ATOM 432 N GLU A 34 5.895 -5.663 8.204 1.00 0.00 N ATOM 433 CA GLU A 34 5.272 -6.171 9.414 1.00 0.00 C ATOM 434 C GLU A 34 4.049 -5.326 9.775 1.00 0.00 C ATOM 435 O GLU A 34 3.720 -4.370 9.073 1.00 0.00 O ATOM 436 CB GLU A 34 6.273 -6.210 10.571 1.00 0.00 C ATOM 437 CG GLU A 34 6.953 -4.851 10.754 1.00 0.00 C ATOM 438 CD GLU A 34 6.803 -4.353 12.192 1.00 0.00 C ATOM 439 OE1 GLU A 34 5.653 -4.364 12.681 1.00 0.00 O ATOM 440 OE2 GLU A 34 7.844 -3.971 12.772 1.00 0.00 O ATOM 0 H GLU A 34 6.675 -5.025 8.362 1.00 0.00 H new ATOM 0 HA GLU A 34 4.942 -7.193 9.229 1.00 0.00 H new ATOM 0 HB2 GLU A 34 5.760 -6.491 11.491 1.00 0.00 H new ATOM 0 HB3 GLU A 34 7.026 -6.975 10.380 1.00 0.00 H new ATOM 0 HG2 GLU A 34 8.010 -4.932 10.502 1.00 0.00 H new ATOM 0 HG3 GLU A 34 6.516 -4.126 10.067 1.00 0.00 H new ATOM 445 N ASP A 35 3.408 -5.709 10.870 1.00 0.00 N ATOM 446 CA ASP A 35 2.228 -4.998 11.333 1.00 0.00 C ATOM 447 C ASP A 35 2.518 -3.497 11.357 1.00 0.00 C ATOM 448 O ASP A 35 3.483 -3.057 11.981 1.00 0.00 O ATOM 449 CB ASP A 35 1.846 -5.429 12.751 1.00 0.00 C ATOM 450 CG ASP A 35 0.375 -5.223 13.115 1.00 0.00 C ATOM 451 OD1 ASP A 35 -0.475 -5.624 12.291 1.00 0.00 O ATOM 452 OD2 ASP A 35 0.133 -4.671 14.210 1.00 0.00 O ATOM 0 H ASP A 35 3.683 -6.502 11.450 1.00 0.00 H new ATOM 0 HA ASP A 35 1.408 -5.228 10.653 1.00 0.00 H new ATOM 0 HB2 ASP A 35 2.090 -6.484 12.872 1.00 0.00 H new ATOM 0 HB3 ASP A 35 2.461 -4.876 13.461 1.00 0.00 H new ATOM 456 N GLY A 36 1.666 -2.749 10.669 1.00 0.00 N ATOM 457 CA GLY A 36 1.820 -1.307 10.605 1.00 0.00 C ATOM 458 C GLY A 36 3.205 -0.925 10.078 1.00 0.00 C ATOM 459 O GLY A 36 3.790 0.063 10.519 1.00 0.00 O ATOM 0 H GLY A 36 0.867 -3.116 10.152 1.00 0.00 H new ATOM 0 HA2 GLY A 36 1.052 -0.884 9.958 1.00 0.00 H new ATOM 0 HA3 GLY A 36 1.673 -0.878 11.596 1.00 0.00 H new ATOM 463 N GLY A 37 3.690 -1.730 9.144 1.00 0.00 N ATOM 464 CA GLY A 37 4.995 -1.489 8.553 1.00 0.00 C ATOM 465 C GLY A 37 5.092 -0.067 7.997 1.00 0.00 C ATOM 466 O GLY A 37 4.207 0.380 7.270 1.00 0.00 O ATOM 0 H GLY A 37 3.203 -2.550 8.782 1.00 0.00 H new ATOM 0 HA2 GLY A 37 5.771 -1.644 9.302 1.00 0.00 H new ATOM 0 HA3 GLY A 37 5.175 -2.209 7.754 1.00 0.00 H new ATOM 470 N HIS A 38 6.176 0.603 8.361 1.00 0.00 N ATOM 471 CA HIS A 38 6.399 1.966 7.907 1.00 0.00 C ATOM 472 C HIS A 38 7.421 1.966 6.767 1.00 0.00 C ATOM 473 O HIS A 38 8.606 1.726 6.991 1.00 0.00 O ATOM 474 CB HIS A 38 6.812 2.865 9.073 1.00 0.00 C ATOM 475 CG HIS A 38 6.673 4.342 8.789 1.00 0.00 C ATOM 476 ND1 HIS A 38 6.590 4.854 7.507 1.00 0.00 N ATOM 477 CD2 HIS A 38 6.603 5.410 9.636 1.00 0.00 C ATOM 478 CE1 HIS A 38 6.475 6.171 7.589 1.00 0.00 C ATOM 479 NE2 HIS A 38 6.484 6.514 8.909 1.00 0.00 N ATOM 0 H HIS A 38 6.908 0.228 8.964 1.00 0.00 H new ATOM 0 HA HIS A 38 5.470 2.380 7.516 1.00 0.00 H new ATOM 0 HB2 HIS A 38 6.206 2.614 9.944 1.00 0.00 H new ATOM 0 HB3 HIS A 38 7.849 2.652 9.334 1.00 0.00 H new ATOM 0 HD2 HIS A 38 6.638 5.364 10.714 1.00 0.00 H new ATOM 0 HE1 HIS A 38 6.389 6.854 6.756 1.00 0.00 H new ATOM 0 HE2 HIS A 38 6.411 7.463 9.277 1.00 0.00 H new ATOM 486 N VAL A 39 6.923 2.239 5.570 1.00 0.00 N ATOM 487 CA VAL A 39 7.778 2.274 4.396 1.00 0.00 C ATOM 488 C VAL A 39 7.864 3.710 3.875 1.00 0.00 C ATOM 489 O VAL A 39 7.328 4.631 4.491 1.00 0.00 O ATOM 490 CB VAL A 39 7.262 1.288 3.345 1.00 0.00 C ATOM 491 CG1 VAL A 39 7.583 -0.154 3.742 1.00 0.00 C ATOM 492 CG2 VAL A 39 5.762 1.472 3.109 1.00 0.00 C ATOM 0 H VAL A 39 5.939 2.438 5.388 1.00 0.00 H new ATOM 0 HA VAL A 39 8.790 1.959 4.651 1.00 0.00 H new ATOM 0 HB VAL A 39 7.776 1.499 2.407 1.00 0.00 H new ATOM 0 HG11 VAL A 39 7.206 -0.834 2.978 1.00 0.00 H new ATOM 0 HG12 VAL A 39 8.662 -0.274 3.834 1.00 0.00 H new ATOM 0 HG13 VAL A 39 7.110 -0.382 4.697 1.00 0.00 H new ATOM 0 HG21 VAL A 39 5.422 0.759 2.358 1.00 0.00 H new ATOM 0 HG22 VAL A 39 5.223 1.302 4.041 1.00 0.00 H new ATOM 0 HG23 VAL A 39 5.570 2.486 2.759 1.00 0.00 H new ATOM 502 N GLU A 40 8.544 3.858 2.748 1.00 0.00 N ATOM 503 CA GLU A 40 8.707 5.166 2.138 1.00 0.00 C ATOM 504 C GLU A 40 7.900 5.252 0.841 1.00 0.00 C ATOM 505 O GLU A 40 7.604 4.232 0.221 1.00 0.00 O ATOM 506 CB GLU A 40 10.184 5.473 1.887 1.00 0.00 C ATOM 507 CG GLU A 40 10.766 4.537 0.826 1.00 0.00 C ATOM 508 CD GLU A 40 12.288 4.444 0.952 1.00 0.00 C ATOM 509 OE1 GLU A 40 12.740 3.664 1.818 1.00 0.00 O ATOM 510 OE2 GLU A 40 12.966 5.153 0.178 1.00 0.00 O ATOM 0 H GLU A 40 8.989 3.093 2.241 1.00 0.00 H new ATOM 0 HA GLU A 40 8.326 5.918 2.829 1.00 0.00 H new ATOM 0 HB2 GLU A 40 10.294 6.508 1.564 1.00 0.00 H new ATOM 0 HB3 GLU A 40 10.744 5.368 2.816 1.00 0.00 H new ATOM 0 HG2 GLU A 40 10.328 3.545 0.931 1.00 0.00 H new ATOM 0 HG3 GLU A 40 10.501 4.899 -0.168 1.00 0.00 H new ATOM 515 N ALA A 41 7.568 6.480 0.469 1.00 0.00 N ATOM 516 CA ALA A 41 6.801 6.712 -0.743 1.00 0.00 C ATOM 517 C ALA A 41 7.635 6.295 -1.957 1.00 0.00 C ATOM 518 O ALA A 41 8.424 7.084 -2.474 1.00 0.00 O ATOM 519 CB ALA A 41 6.377 8.181 -0.806 1.00 0.00 C ATOM 0 H ALA A 41 7.816 7.324 0.985 1.00 0.00 H new ATOM 0 HA ALA A 41 5.893 6.109 -0.743 1.00 0.00 H new ATOM 0 HB1 ALA A 41 5.802 8.355 -1.715 1.00 0.00 H new ATOM 0 HB2 ALA A 41 5.764 8.420 0.063 1.00 0.00 H new ATOM 0 HB3 ALA A 41 7.263 8.816 -0.810 1.00 0.00 H new ATOM 525 N GLY A 42 7.432 5.054 -2.376 1.00 0.00 N ATOM 526 CA GLY A 42 8.154 4.522 -3.518 1.00 0.00 C ATOM 527 C GLY A 42 8.605 3.083 -3.260 1.00 0.00 C ATOM 528 O GLY A 42 8.981 2.371 -4.189 1.00 0.00 O ATOM 0 H GLY A 42 6.777 4.402 -1.944 1.00 0.00 H new ATOM 0 HA2 GLY A 42 7.518 4.554 -4.402 1.00 0.00 H new ATOM 0 HA3 GLY A 42 9.022 5.147 -3.727 1.00 0.00 H new ATOM 532 N SER A 43 8.551 2.698 -1.994 1.00 0.00 N ATOM 533 CA SER A 43 8.949 1.357 -1.602 1.00 0.00 C ATOM 534 C SER A 43 7.812 0.371 -1.879 1.00 0.00 C ATOM 535 O SER A 43 6.793 0.741 -2.461 1.00 0.00 O ATOM 536 CB SER A 43 9.344 1.309 -0.124 1.00 0.00 C ATOM 537 OG SER A 43 10.734 1.558 0.065 1.00 0.00 O ATOM 0 H SER A 43 8.238 3.291 -1.226 1.00 0.00 H new ATOM 0 HA SER A 43 9.820 1.073 -2.193 1.00 0.00 H new ATOM 0 HB2 SER A 43 8.765 2.047 0.430 1.00 0.00 H new ATOM 0 HB3 SER A 43 9.091 0.332 0.287 1.00 0.00 H new ATOM 0 HG SER A 43 10.946 1.520 1.021 1.00 0.00 H new ATOM 542 N SER A 44 8.025 -0.864 -1.449 1.00 0.00 N ATOM 543 CA SER A 44 7.030 -1.905 -1.644 1.00 0.00 C ATOM 544 C SER A 44 6.569 -2.449 -0.290 1.00 0.00 C ATOM 545 O SER A 44 7.387 -2.687 0.598 1.00 0.00 O ATOM 546 CB SER A 44 7.581 -3.039 -2.512 1.00 0.00 C ATOM 547 OG SER A 44 8.785 -3.582 -1.978 1.00 0.00 O ATOM 0 H SER A 44 8.871 -1.167 -0.967 1.00 0.00 H new ATOM 0 HA SER A 44 6.176 -1.469 -2.163 1.00 0.00 H new ATOM 0 HB2 SER A 44 6.833 -3.828 -2.596 1.00 0.00 H new ATOM 0 HB3 SER A 44 7.766 -2.667 -3.520 1.00 0.00 H new ATOM 0 HG SER A 44 9.104 -4.304 -2.559 1.00 0.00 H new ATOM 552 N TYR A 45 5.262 -2.630 -0.174 1.00 0.00 N ATOM 553 CA TYR A 45 4.683 -3.142 1.056 1.00 0.00 C ATOM 554 C TYR A 45 4.041 -4.513 0.832 1.00 0.00 C ATOM 555 O TYR A 45 3.756 -5.232 1.788 1.00 0.00 O ATOM 556 CB TYR A 45 3.597 -2.143 1.459 1.00 0.00 C ATOM 557 CG TYR A 45 2.294 -2.290 0.671 1.00 0.00 C ATOM 558 CD1 TYR A 45 1.449 -3.351 0.926 1.00 0.00 C ATOM 559 CD2 TYR A 45 1.963 -1.361 -0.296 1.00 0.00 C ATOM 560 CE1 TYR A 45 0.222 -3.489 0.184 1.00 0.00 C ATOM 561 CE2 TYR A 45 0.736 -1.500 -1.037 1.00 0.00 C ATOM 562 CZ TYR A 45 -0.074 -2.557 -0.761 1.00 0.00 C ATOM 563 OH TYR A 45 -1.232 -2.688 -1.461 1.00 0.00 O ATOM 0 H TYR A 45 4.587 -2.431 -0.912 1.00 0.00 H new ATOM 0 HA TYR A 45 5.450 -3.257 1.822 1.00 0.00 H new ATOM 0 HB2 TYR A 45 3.383 -2.263 2.521 1.00 0.00 H new ATOM 0 HB3 TYR A 45 3.980 -1.131 1.323 1.00 0.00 H new ATOM 0 HD1 TYR A 45 1.708 -4.078 1.682 1.00 0.00 H new ATOM 0 HD2 TYR A 45 2.624 -0.531 -0.496 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -0.448 -4.314 0.374 1.00 0.00 H new ATOM 0 HE2 TYR A 45 0.465 -0.780 -1.795 1.00 0.00 H new ATOM 0 HH TYR A 45 -1.313 -1.950 -2.101 1.00 0.00 H new ATOM 572 N ALA A 46 3.833 -4.832 -0.437 1.00 0.00 N ATOM 573 CA ALA A 46 3.230 -6.104 -0.799 1.00 0.00 C ATOM 574 C ALA A 46 3.474 -6.374 -2.285 1.00 0.00 C ATOM 575 O ALA A 46 4.206 -5.635 -2.942 1.00 0.00 O ATOM 576 CB ALA A 46 1.741 -6.081 -0.448 1.00 0.00 C ATOM 0 H ALA A 46 4.071 -4.232 -1.227 1.00 0.00 H new ATOM 0 HA ALA A 46 3.685 -6.919 -0.236 1.00 0.00 H new ATOM 0 HB1 ALA A 46 1.288 -7.035 -0.719 1.00 0.00 H new ATOM 0 HB2 ALA A 46 1.622 -5.914 0.623 1.00 0.00 H new ATOM 0 HB3 ALA A 46 1.250 -5.277 -0.997 1.00 0.00 H new ATOM 582 N GLU A 47 2.848 -7.436 -2.771 1.00 0.00 N ATOM 583 CA GLU A 47 2.989 -7.814 -4.167 1.00 0.00 C ATOM 584 C GLU A 47 1.660 -8.343 -4.710 1.00 0.00 C ATOM 585 O GLU A 47 0.670 -8.409 -3.982 1.00 0.00 O ATOM 586 CB GLU A 47 4.104 -8.845 -4.346 1.00 0.00 C ATOM 587 CG GLU A 47 5.408 -8.358 -3.711 1.00 0.00 C ATOM 588 CD GLU A 47 6.599 -9.186 -4.201 1.00 0.00 C ATOM 589 OE1 GLU A 47 6.530 -9.647 -5.361 1.00 0.00 O ATOM 590 OE2 GLU A 47 7.550 -9.339 -3.405 1.00 0.00 O ATOM 0 H GLU A 47 2.242 -8.047 -2.223 1.00 0.00 H new ATOM 0 HA GLU A 47 3.265 -6.927 -4.737 1.00 0.00 H new ATOM 0 HB2 GLU A 47 3.806 -9.791 -3.893 1.00 0.00 H new ATOM 0 HB3 GLU A 47 4.261 -9.035 -5.408 1.00 0.00 H new ATOM 0 HG2 GLU A 47 5.566 -7.308 -3.955 1.00 0.00 H new ATOM 0 HG3 GLU A 47 5.336 -8.425 -2.626 1.00 0.00 H new ATOM 595 N MET A 48 1.680 -8.707 -5.984 1.00 0.00 N ATOM 596 CA MET A 48 0.489 -9.229 -6.632 1.00 0.00 C ATOM 597 C MET A 48 0.856 -10.076 -7.852 1.00 0.00 C ATOM 598 O MET A 48 1.938 -9.924 -8.416 1.00 0.00 O ATOM 599 CB MET A 48 -0.406 -8.067 -7.068 1.00 0.00 C ATOM 600 CG MET A 48 0.378 -7.058 -7.911 1.00 0.00 C ATOM 601 SD MET A 48 -0.297 -6.989 -9.563 1.00 0.00 S ATOM 602 CE MET A 48 -1.921 -6.341 -9.207 1.00 0.00 C ATOM 0 H MET A 48 2.502 -8.651 -6.585 1.00 0.00 H new ATOM 0 HA MET A 48 -0.042 -9.861 -5.920 1.00 0.00 H new ATOM 0 HB2 MET A 48 -1.250 -8.449 -7.643 1.00 0.00 H new ATOM 0 HB3 MET A 48 -0.817 -7.570 -6.189 1.00 0.00 H new ATOM 0 HG2 MET A 48 0.332 -6.072 -7.449 1.00 0.00 H new ATOM 0 HG3 MET A 48 1.429 -7.343 -7.950 1.00 0.00 H new ATOM 0 HE1 MET A 48 -2.674 -7.087 -9.461 1.00 0.00 H new ATOM 0 HE2 MET A 48 -1.992 -6.100 -8.146 1.00 0.00 H new ATOM 0 HE3 MET A 48 -2.090 -5.440 -9.796 1.00 0.00 H new ATOM 610 N GLU A 49 -0.066 -10.952 -8.223 1.00 0.00 N ATOM 611 CA GLU A 49 0.146 -11.823 -9.366 1.00 0.00 C ATOM 612 C GLU A 49 -0.929 -11.580 -10.427 1.00 0.00 C ATOM 613 O GLU A 49 -2.105 -11.864 -10.201 1.00 0.00 O ATOM 614 CB GLU A 49 0.170 -13.292 -8.938 1.00 0.00 C ATOM 615 CG GLU A 49 0.200 -14.218 -10.155 1.00 0.00 C ATOM 616 CD GLU A 49 0.721 -15.605 -9.777 1.00 0.00 C ATOM 617 OE1 GLU A 49 0.077 -16.238 -8.914 1.00 0.00 O ATOM 618 OE2 GLU A 49 1.755 -16.002 -10.360 1.00 0.00 O ATOM 0 H GLU A 49 -0.962 -11.077 -7.752 1.00 0.00 H new ATOM 0 HA GLU A 49 1.117 -11.588 -9.801 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.044 -13.478 -8.314 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -0.708 -13.512 -8.331 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -0.802 -14.304 -10.575 1.00 0.00 H new ATOM 0 HG3 GLU A 49 0.834 -13.786 -10.929 1.00 0.00 H new ATOM 623 N VAL A 50 -0.488 -11.057 -11.561 1.00 0.00 N ATOM 624 CA VAL A 50 -1.399 -10.772 -12.657 1.00 0.00 C ATOM 625 C VAL A 50 -0.797 -11.295 -13.963 1.00 0.00 C ATOM 626 O VAL A 50 0.416 -11.240 -14.158 1.00 0.00 O ATOM 627 CB VAL A 50 -1.713 -9.275 -12.701 1.00 0.00 C ATOM 628 CG1 VAL A 50 -0.429 -8.444 -12.656 1.00 0.00 C ATOM 629 CG2 VAL A 50 -2.549 -8.926 -13.935 1.00 0.00 C ATOM 0 H VAL A 50 0.488 -10.823 -11.745 1.00 0.00 H new ATOM 0 HA VAL A 50 -2.349 -11.285 -12.508 1.00 0.00 H new ATOM 0 HB VAL A 50 -2.302 -9.030 -11.817 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.680 -7.384 -12.689 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.112 -8.660 -11.735 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.197 -8.695 -13.512 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.758 -7.856 -13.942 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -1.997 -9.194 -14.836 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -3.488 -9.479 -13.907 1.00 0.00 H new ATOM 639 N MET A 51 -1.673 -11.791 -14.825 1.00 0.00 N ATOM 640 CA MET A 51 -1.243 -12.323 -16.107 1.00 0.00 C ATOM 641 C MET A 51 -0.150 -13.377 -15.923 1.00 0.00 C ATOM 642 O MET A 51 0.764 -13.478 -16.740 1.00 0.00 O ATOM 643 CB MET A 51 -0.714 -11.185 -16.980 1.00 0.00 C ATOM 644 CG MET A 51 -1.857 -10.472 -17.705 1.00 0.00 C ATOM 645 SD MET A 51 -2.394 -11.443 -19.104 1.00 0.00 S ATOM 646 CE MET A 51 -1.954 -10.337 -20.435 1.00 0.00 C ATOM 0 H MET A 51 -2.679 -11.836 -14.661 1.00 0.00 H new ATOM 0 HA MET A 51 -2.099 -12.795 -16.590 1.00 0.00 H new ATOM 0 HB2 MET A 51 -0.169 -10.471 -16.362 1.00 0.00 H new ATOM 0 HB3 MET A 51 -0.007 -11.580 -17.709 1.00 0.00 H new ATOM 0 HG2 MET A 51 -2.690 -10.314 -17.020 1.00 0.00 H new ATOM 0 HG3 MET A 51 -1.528 -9.488 -18.040 1.00 0.00 H new ATOM 0 HE1 MET A 51 -2.223 -10.791 -21.389 1.00 0.00 H new ATOM 0 HE2 MET A 51 -2.490 -9.395 -20.318 1.00 0.00 H new ATOM 0 HE3 MET A 51 -0.881 -10.149 -20.412 1.00 0.00 H new ATOM 654 N LYS A 52 -0.280 -14.138 -14.846 1.00 0.00 N ATOM 655 CA LYS A 52 0.684 -15.181 -14.545 1.00 0.00 C ATOM 656 C LYS A 52 2.049 -14.545 -14.275 1.00 0.00 C ATOM 657 O LYS A 52 3.084 -15.180 -14.471 1.00 0.00 O ATOM 658 CB LYS A 52 0.705 -16.230 -15.659 1.00 0.00 C ATOM 659 CG LYS A 52 -0.363 -17.300 -15.425 1.00 0.00 C ATOM 660 CD LYS A 52 0.221 -18.704 -15.595 1.00 0.00 C ATOM 661 CE LYS A 52 -0.654 -19.750 -14.901 1.00 0.00 C ATOM 662 NZ LYS A 52 -1.230 -20.685 -15.893 1.00 0.00 N ATOM 0 H LYS A 52 -1.040 -14.052 -14.171 1.00 0.00 H new ATOM 0 HA LYS A 52 0.396 -15.716 -13.640 1.00 0.00 H new ATOM 0 HB2 LYS A 52 0.536 -15.747 -16.621 1.00 0.00 H new ATOM 0 HB3 LYS A 52 1.689 -16.697 -15.705 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -0.776 -17.193 -14.422 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -1.186 -17.157 -16.126 1.00 0.00 H new ATOM 0 HD2 LYS A 52 0.305 -18.941 -16.656 1.00 0.00 H new ATOM 0 HD3 LYS A 52 1.229 -18.735 -15.181 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -0.061 -20.303 -14.173 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -1.455 -19.256 -14.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -1.821 -21.388 -15.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -1.812 -20.155 -16.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -0.462 -21.170 -16.400 1.00 0.00 H new ATOM 672 N MET A 53 2.008 -13.298 -13.830 1.00 0.00 N ATOM 673 CA MET A 53 3.228 -12.569 -13.530 1.00 0.00 C ATOM 674 C MET A 53 3.167 -11.947 -12.133 1.00 0.00 C ATOM 675 O MET A 53 2.143 -11.386 -11.744 1.00 0.00 O ATOM 676 CB MET A 53 3.432 -11.467 -14.572 1.00 0.00 C ATOM 677 CG MET A 53 3.301 -12.022 -15.991 1.00 0.00 C ATOM 678 SD MET A 53 4.916 -12.198 -16.731 1.00 0.00 S ATOM 679 CE MET A 53 4.507 -13.231 -18.127 1.00 0.00 C ATOM 0 H MET A 53 1.148 -12.774 -13.670 1.00 0.00 H new ATOM 0 HA MET A 53 4.064 -13.268 -13.558 1.00 0.00 H new ATOM 0 HB2 MET A 53 2.698 -10.676 -14.418 1.00 0.00 H new ATOM 0 HB3 MET A 53 4.417 -11.018 -14.443 1.00 0.00 H new ATOM 0 HG2 MET A 53 2.796 -12.988 -15.967 1.00 0.00 H new ATOM 0 HG3 MET A 53 2.686 -11.355 -16.595 1.00 0.00 H new ATOM 0 HE1 MET A 53 5.409 -13.439 -18.702 1.00 0.00 H new ATOM 0 HE2 MET A 53 4.078 -14.168 -17.773 1.00 0.00 H new ATOM 0 HE3 MET A 53 3.784 -12.717 -18.760 1.00 0.00 H new ATOM 687 N ILE A 54 4.275 -12.067 -11.418 1.00 0.00 N ATOM 688 CA ILE A 54 4.360 -11.525 -10.073 1.00 0.00 C ATOM 689 C ILE A 54 4.887 -10.089 -10.140 1.00 0.00 C ATOM 690 O ILE A 54 5.982 -9.849 -10.649 1.00 0.00 O ATOM 691 CB ILE A 54 5.191 -12.444 -9.176 1.00 0.00 C ATOM 692 CG1 ILE A 54 4.742 -13.900 -9.317 1.00 0.00 C ATOM 693 CG2 ILE A 54 5.153 -11.971 -7.721 1.00 0.00 C ATOM 694 CD1 ILE A 54 3.317 -14.088 -8.794 1.00 0.00 C ATOM 0 H ILE A 54 5.122 -12.532 -11.745 1.00 0.00 H new ATOM 0 HA ILE A 54 3.371 -11.482 -9.616 1.00 0.00 H new ATOM 0 HB ILE A 54 6.229 -12.394 -9.504 1.00 0.00 H new ATOM 0 HG12 ILE A 54 4.791 -14.200 -10.364 1.00 0.00 H new ATOM 0 HG13 ILE A 54 5.423 -14.549 -8.767 1.00 0.00 H new ATOM 0 HG21 ILE A 54 5.752 -12.642 -7.105 1.00 0.00 H new ATOM 0 HG22 ILE A 54 5.557 -10.961 -7.656 1.00 0.00 H new ATOM 0 HG23 ILE A 54 4.123 -11.973 -7.364 1.00 0.00 H new ATOM 0 HD11 ILE A 54 3.023 -15.132 -8.906 1.00 0.00 H new ATOM 0 HD12 ILE A 54 3.276 -13.811 -7.741 1.00 0.00 H new ATOM 0 HD13 ILE A 54 2.635 -13.456 -9.362 1.00 0.00 H new ATOM 705 N MET A 55 4.085 -9.173 -9.618 1.00 0.00 N ATOM 706 CA MET A 55 4.458 -7.769 -9.611 1.00 0.00 C ATOM 707 C MET A 55 4.464 -7.209 -8.187 1.00 0.00 C ATOM 708 O MET A 55 3.589 -7.532 -7.386 1.00 0.00 O ATOM 709 CB MET A 55 3.468 -6.974 -10.467 1.00 0.00 C ATOM 710 CG MET A 55 3.560 -7.389 -11.937 1.00 0.00 C ATOM 711 SD MET A 55 2.414 -6.429 -12.914 1.00 0.00 S ATOM 712 CE MET A 55 2.827 -7.021 -14.547 1.00 0.00 C ATOM 0 H MET A 55 3.178 -9.376 -9.197 1.00 0.00 H new ATOM 0 HA MET A 55 5.464 -7.678 -10.021 1.00 0.00 H new ATOM 0 HB2 MET A 55 2.454 -7.136 -10.102 1.00 0.00 H new ATOM 0 HB3 MET A 55 3.674 -5.908 -10.373 1.00 0.00 H new ATOM 0 HG2 MET A 55 4.576 -7.240 -12.303 1.00 0.00 H new ATOM 0 HG3 MET A 55 3.337 -8.451 -12.039 1.00 0.00 H new ATOM 0 HE1 MET A 55 2.200 -6.521 -15.285 1.00 0.00 H new ATOM 0 HE2 MET A 55 3.875 -6.808 -14.757 1.00 0.00 H new ATOM 0 HE3 MET A 55 2.659 -8.097 -14.597 1.00 0.00 H new ATOM 720 N THR A 56 5.461 -6.381 -7.916 1.00 0.00 N ATOM 721 CA THR A 56 5.594 -5.774 -6.603 1.00 0.00 C ATOM 722 C THR A 56 4.592 -4.628 -6.441 1.00 0.00 C ATOM 723 O THR A 56 4.276 -3.934 -7.406 1.00 0.00 O ATOM 724 CB THR A 56 7.050 -5.337 -6.428 1.00 0.00 C ATOM 725 OG1 THR A 56 7.795 -6.321 -7.140 1.00 0.00 O ATOM 726 CG2 THR A 56 7.534 -5.476 -4.983 1.00 0.00 C ATOM 0 H THR A 56 6.185 -6.116 -8.584 1.00 0.00 H new ATOM 0 HA THR A 56 5.357 -6.486 -5.813 1.00 0.00 H new ATOM 0 HB THR A 56 7.159 -4.301 -6.749 1.00 0.00 H new ATOM 0 HG1 THR A 56 8.055 -5.965 -8.015 1.00 0.00 H new ATOM 0 HG21 THR A 56 8.573 -5.153 -4.915 1.00 0.00 H new ATOM 0 HG22 THR A 56 6.917 -4.857 -4.332 1.00 0.00 H new ATOM 0 HG23 THR A 56 7.457 -6.518 -4.672 1.00 0.00 H new ATOM 734 N LEU A 57 4.120 -4.467 -5.214 1.00 0.00 N ATOM 735 CA LEU A 57 3.161 -3.418 -4.913 1.00 0.00 C ATOM 736 C LEU A 57 3.862 -2.297 -4.142 1.00 0.00 C ATOM 737 O LEU A 57 4.691 -2.561 -3.273 1.00 0.00 O ATOM 738 CB LEU A 57 1.945 -3.995 -4.187 1.00 0.00 C ATOM 739 CG LEU A 57 0.662 -4.107 -5.012 1.00 0.00 C ATOM 740 CD1 LEU A 57 -0.440 -4.813 -4.220 1.00 0.00 C ATOM 741 CD2 LEU A 57 0.213 -2.735 -5.518 1.00 0.00 C ATOM 0 H LEU A 57 4.384 -5.045 -4.416 1.00 0.00 H new ATOM 0 HA LEU A 57 2.775 -2.980 -5.834 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.204 -4.988 -3.818 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.739 -3.375 -3.315 1.00 0.00 H new ATOM 0 HG LEU A 57 0.873 -4.720 -5.888 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.341 -4.879 -4.830 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.109 -5.816 -3.951 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.656 -4.247 -3.314 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.701 -2.844 -6.101 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.026 -2.078 -4.669 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.994 -2.305 -6.145 1.00 0.00 H new ATOM 752 N ASN A 58 3.504 -1.069 -4.490 1.00 0.00 N ATOM 753 CA ASN A 58 4.088 0.093 -3.842 1.00 0.00 C ATOM 754 C ASN A 58 3.008 0.820 -3.039 1.00 0.00 C ATOM 755 O ASN A 58 1.822 0.524 -3.177 1.00 0.00 O ATOM 756 CB ASN A 58 4.652 1.073 -4.873 1.00 0.00 C ATOM 757 CG ASN A 58 3.707 1.216 -6.067 1.00 0.00 C ATOM 758 OD1 ASN A 58 2.565 1.630 -5.942 1.00 0.00 O ATOM 759 ND2 ASN A 58 4.243 0.853 -7.229 1.00 0.00 N ATOM 0 H ASN A 58 2.817 -0.854 -5.212 1.00 0.00 H new ATOM 0 HA ASN A 58 4.894 -0.251 -3.194 1.00 0.00 H new ATOM 0 HB2 ASN A 58 4.806 2.047 -4.408 1.00 0.00 H new ATOM 0 HB3 ASN A 58 5.627 0.725 -5.216 1.00 0.00 H new ATOM 0 HD21 ASN A 58 3.692 0.913 -8.085 1.00 0.00 H new ATOM 0 HD22 ASN A 58 5.205 0.515 -7.264 1.00 0.00 H new ATOM 765 N VAL A 59 3.458 1.756 -2.216 1.00 0.00 N ATOM 766 CA VAL A 59 2.544 2.529 -1.390 1.00 0.00 C ATOM 767 C VAL A 59 2.153 3.810 -2.130 1.00 0.00 C ATOM 768 O VAL A 59 2.973 4.398 -2.835 1.00 0.00 O ATOM 769 CB VAL A 59 3.175 2.797 -0.023 1.00 0.00 C ATOM 770 CG1 VAL A 59 3.122 1.548 0.860 1.00 0.00 C ATOM 771 CG2 VAL A 59 4.612 3.302 -0.171 1.00 0.00 C ATOM 0 H VAL A 59 4.443 1.997 -2.103 1.00 0.00 H new ATOM 0 HA VAL A 59 1.628 1.968 -1.206 1.00 0.00 H new ATOM 0 HB VAL A 59 2.594 3.579 0.466 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.577 1.766 1.826 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.084 1.250 1.007 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.667 0.737 0.377 1.00 0.00 H new ATOM 0 HG21 VAL A 59 5.037 3.485 0.816 1.00 0.00 H new ATOM 0 HG22 VAL A 59 5.209 2.553 -0.690 1.00 0.00 H new ATOM 0 HG23 VAL A 59 4.615 4.229 -0.744 1.00 0.00 H new ATOM 781 N GLN A 60 0.902 4.204 -1.945 1.00 0.00 N ATOM 782 CA GLN A 60 0.393 5.405 -2.586 1.00 0.00 C ATOM 783 C GLN A 60 1.152 6.636 -2.086 1.00 0.00 C ATOM 784 O GLN A 60 1.141 7.682 -2.733 1.00 0.00 O ATOM 785 CB GLN A 60 -1.111 5.555 -2.352 1.00 0.00 C ATOM 786 CG GLN A 60 -1.902 5.151 -3.598 1.00 0.00 C ATOM 787 CD GLN A 60 -3.121 6.058 -3.790 1.00 0.00 C ATOM 788 OE1 GLN A 60 -3.472 6.858 -2.939 1.00 0.00 O ATOM 789 NE2 GLN A 60 -3.743 5.887 -4.953 1.00 0.00 N ATOM 0 H GLN A 60 0.225 3.713 -1.360 1.00 0.00 H new ATOM 0 HA GLN A 60 0.553 5.316 -3.661 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -1.415 4.937 -1.507 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -1.341 6.588 -2.090 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -1.259 5.209 -4.476 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -2.226 4.114 -3.508 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -3.395 5.199 -5.621 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -4.568 6.444 -5.177 1.00 0.00 H new ATOM 796 N GLU A 61 1.792 6.470 -0.938 1.00 0.00 N ATOM 797 CA GLU A 61 2.554 7.555 -0.343 1.00 0.00 C ATOM 798 C GLU A 61 3.047 7.157 1.050 1.00 0.00 C ATOM 799 O GLU A 61 2.395 6.377 1.743 1.00 0.00 O ATOM 800 CB GLU A 61 1.726 8.840 -0.285 1.00 0.00 C ATOM 801 CG GLU A 61 2.260 9.790 0.790 1.00 0.00 C ATOM 802 CD GLU A 61 1.439 11.080 0.839 1.00 0.00 C ATOM 803 OE1 GLU A 61 1.577 11.877 -0.114 1.00 0.00 O ATOM 804 OE2 GLU A 61 0.692 11.238 1.828 1.00 0.00 O ATOM 0 H GLU A 61 1.799 5.601 -0.404 1.00 0.00 H new ATOM 0 HA GLU A 61 3.422 7.750 -0.972 1.00 0.00 H new ATOM 0 HB2 GLU A 61 1.748 9.335 -1.256 1.00 0.00 H new ATOM 0 HB3 GLU A 61 0.685 8.596 -0.075 1.00 0.00 H new ATOM 0 HG2 GLU A 61 2.230 9.298 1.762 1.00 0.00 H new ATOM 0 HG3 GLU A 61 3.304 10.027 0.585 1.00 0.00 H new ATOM 809 N ARG A 62 4.192 7.711 1.418 1.00 0.00 N ATOM 810 CA ARG A 62 4.780 7.424 2.716 1.00 0.00 C ATOM 811 C ARG A 62 3.684 7.276 3.774 1.00 0.00 C ATOM 812 O ARG A 62 2.710 8.028 3.772 1.00 0.00 O ATOM 813 CB ARG A 62 5.743 8.533 3.142 1.00 0.00 C ATOM 814 CG ARG A 62 4.982 9.804 3.526 1.00 0.00 C ATOM 815 CD ARG A 62 5.692 11.050 2.994 1.00 0.00 C ATOM 816 NE ARG A 62 6.084 11.928 4.119 1.00 0.00 N ATOM 817 CZ ARG A 62 6.951 12.945 4.012 1.00 0.00 C ATOM 818 NH1 ARG A 62 7.521 13.216 2.830 1.00 0.00 N ATOM 819 NH2 ARG A 62 7.247 13.688 5.086 1.00 0.00 N ATOM 0 H ARG A 62 4.729 8.358 0.840 1.00 0.00 H new ATOM 0 HA ARG A 62 5.335 6.490 2.629 1.00 0.00 H new ATOM 0 HB2 ARG A 62 6.342 8.194 3.987 1.00 0.00 H new ATOM 0 HB3 ARG A 62 6.435 8.751 2.328 1.00 0.00 H new ATOM 0 HG2 ARG A 62 3.969 9.760 3.127 1.00 0.00 H new ATOM 0 HG3 ARG A 62 4.895 9.866 4.611 1.00 0.00 H new ATOM 0 HD2 ARG A 62 6.574 10.760 2.424 1.00 0.00 H new ATOM 0 HD3 ARG A 62 5.035 11.590 2.312 1.00 0.00 H new ATOM 0 HE ARG A 62 5.669 11.748 5.033 1.00 0.00 H new ATOM 0 HH11 ARG A 62 7.295 12.649 2.013 1.00 0.00 H new ATOM 0 HH12 ARG A 62 8.181 13.989 2.747 1.00 0.00 H new ATOM 0 HH21 ARG A 62 6.813 13.480 5.985 1.00 0.00 H new ATOM 0 HH22 ARG A 62 7.907 14.462 5.005 1.00 0.00 H new ATOM 830 N GLY A 63 3.879 6.301 4.650 1.00 0.00 N ATOM 831 CA GLY A 63 2.918 6.045 5.710 1.00 0.00 C ATOM 832 C GLY A 63 3.148 4.668 6.336 1.00 0.00 C ATOM 833 O GLY A 63 4.288 4.236 6.494 1.00 0.00 O ATOM 0 H GLY A 63 4.688 5.679 4.648 1.00 0.00 H new ATOM 0 HA2 GLY A 63 3.002 6.816 6.476 1.00 0.00 H new ATOM 0 HA3 GLY A 63 1.906 6.102 5.310 1.00 0.00 H new ATOM 837 N ARG A 64 2.045 4.017 6.676 1.00 0.00 N ATOM 838 CA ARG A 64 2.111 2.697 7.280 1.00 0.00 C ATOM 839 C ARG A 64 1.134 1.746 6.587 1.00 0.00 C ATOM 840 O ARG A 64 -0.059 2.034 6.494 1.00 0.00 O ATOM 841 CB ARG A 64 1.780 2.758 8.773 1.00 0.00 C ATOM 842 CG ARG A 64 2.681 3.763 9.493 1.00 0.00 C ATOM 843 CD ARG A 64 1.950 4.407 10.673 1.00 0.00 C ATOM 844 NE ARG A 64 2.929 4.859 11.688 1.00 0.00 N ATOM 845 CZ ARG A 64 2.599 5.245 12.929 1.00 0.00 C ATOM 846 NH1 ARG A 64 1.317 5.236 13.315 1.00 0.00 N ATOM 847 NH2 ARG A 64 3.554 5.640 13.782 1.00 0.00 N ATOM 0 H ARG A 64 1.101 4.379 6.545 1.00 0.00 H new ATOM 0 HA ARG A 64 3.129 2.328 7.159 1.00 0.00 H new ATOM 0 HB2 ARG A 64 0.736 3.040 8.906 1.00 0.00 H new ATOM 0 HB3 ARG A 64 1.903 1.770 9.217 1.00 0.00 H new ATOM 0 HG2 ARG A 64 3.581 3.261 9.848 1.00 0.00 H new ATOM 0 HG3 ARG A 64 3.002 4.535 8.794 1.00 0.00 H new ATOM 0 HD2 ARG A 64 1.356 5.253 10.326 1.00 0.00 H new ATOM 0 HD3 ARG A 64 1.257 3.692 11.117 1.00 0.00 H new ATOM 0 HE ARG A 64 3.915 4.878 11.427 1.00 0.00 H new ATOM 0 HH11 ARG A 64 0.591 4.935 12.665 1.00 0.00 H new ATOM 0 HH12 ARG A 64 1.067 5.530 14.259 1.00 0.00 H new ATOM 0 HH21 ARG A 64 4.530 5.647 13.487 1.00 0.00 H new ATOM 0 HH22 ARG A 64 3.305 5.934 14.726 1.00 0.00 H new ATOM 858 N VAL A 65 1.675 0.631 6.117 1.00 0.00 N ATOM 859 CA VAL A 65 0.866 -0.364 5.435 1.00 0.00 C ATOM 860 C VAL A 65 0.231 -1.294 6.470 1.00 0.00 C ATOM 861 O VAL A 65 0.880 -1.688 7.438 1.00 0.00 O ATOM 862 CB VAL A 65 1.715 -1.108 4.402 1.00 0.00 C ATOM 863 CG1 VAL A 65 0.890 -2.181 3.685 1.00 0.00 C ATOM 864 CG2 VAL A 65 2.337 -0.136 3.399 1.00 0.00 C ATOM 0 H VAL A 65 2.664 0.395 6.195 1.00 0.00 H new ATOM 0 HA VAL A 65 0.054 0.113 4.886 1.00 0.00 H new ATOM 0 HB VAL A 65 2.526 -1.606 4.933 1.00 0.00 H new ATOM 0 HG11 VAL A 65 1.517 -2.695 2.956 1.00 0.00 H new ATOM 0 HG12 VAL A 65 0.516 -2.900 4.414 1.00 0.00 H new ATOM 0 HG13 VAL A 65 0.049 -1.712 3.174 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.935 -0.692 2.677 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.547 0.404 2.877 1.00 0.00 H new ATOM 0 HG23 VAL A 65 2.973 0.574 3.927 1.00 0.00 H new ATOM 874 N LYS A 66 -1.031 -1.620 6.229 1.00 0.00 N ATOM 875 CA LYS A 66 -1.762 -2.497 7.129 1.00 0.00 C ATOM 876 C LYS A 66 -2.419 -3.617 6.320 1.00 0.00 C ATOM 877 O LYS A 66 -2.571 -3.503 5.104 1.00 0.00 O ATOM 878 CB LYS A 66 -2.747 -1.693 7.979 1.00 0.00 C ATOM 879 CG LYS A 66 -2.602 -2.040 9.462 1.00 0.00 C ATOM 880 CD LYS A 66 -3.971 -2.144 10.136 1.00 0.00 C ATOM 881 CE LYS A 66 -3.911 -1.643 11.580 1.00 0.00 C ATOM 882 NZ LYS A 66 -3.907 -2.782 12.525 1.00 0.00 N ATOM 0 H LYS A 66 -1.566 -1.293 5.424 1.00 0.00 H new ATOM 0 HA LYS A 66 -1.081 -2.971 7.836 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -2.573 -0.627 7.833 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -3.766 -1.898 7.652 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -2.068 -2.984 9.568 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -2.004 -1.278 9.961 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -4.702 -1.561 9.575 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -4.310 -3.180 10.121 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -3.015 -1.040 11.725 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -4.766 -0.998 11.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -3.866 -2.424 13.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -4.774 -3.342 12.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -3.078 -3.382 12.342 1.00 0.00 H new ATOM 892 N TYR A 67 -2.792 -4.674 7.026 1.00 0.00 N ATOM 893 CA TYR A 67 -3.430 -5.813 6.389 1.00 0.00 C ATOM 894 C TYR A 67 -4.953 -5.682 6.428 1.00 0.00 C ATOM 895 O TYR A 67 -5.553 -5.682 7.504 1.00 0.00 O ATOM 896 CB TYR A 67 -3.014 -7.040 7.203 1.00 0.00 C ATOM 897 CG TYR A 67 -4.145 -8.042 7.440 1.00 0.00 C ATOM 898 CD1 TYR A 67 -4.873 -8.527 6.372 1.00 0.00 C ATOM 899 CD2 TYR A 67 -4.438 -8.462 8.722 1.00 0.00 C ATOM 900 CE1 TYR A 67 -5.937 -9.470 6.595 1.00 0.00 C ATOM 901 CE2 TYR A 67 -5.502 -9.406 8.944 1.00 0.00 C ATOM 902 CZ TYR A 67 -6.200 -9.864 7.871 1.00 0.00 C ATOM 903 OH TYR A 67 -7.204 -10.755 8.081 1.00 0.00 O ATOM 0 H TYR A 67 -2.664 -4.766 8.034 1.00 0.00 H new ATOM 0 HA TYR A 67 -3.131 -5.884 5.343 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -2.197 -7.545 6.688 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -2.627 -6.710 8.167 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -4.644 -8.199 5.369 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -3.869 -8.083 9.558 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -6.514 -9.857 5.768 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -5.741 -9.743 9.942 1.00 0.00 H new ATOM 0 HH TYR A 67 -7.277 -10.946 9.040 1.00 0.00 H new ATOM 912 N ILE A 68 -5.538 -5.572 5.245 1.00 0.00 N ATOM 913 CA ILE A 68 -6.980 -5.440 5.131 1.00 0.00 C ATOM 914 C ILE A 68 -7.553 -6.697 4.472 1.00 0.00 C ATOM 915 O ILE A 68 -8.213 -7.501 5.129 1.00 0.00 O ATOM 916 CB ILE A 68 -7.345 -4.145 4.404 1.00 0.00 C ATOM 917 CG1 ILE A 68 -6.813 -2.924 5.158 1.00 0.00 C ATOM 918 CG2 ILE A 68 -8.853 -4.056 4.163 1.00 0.00 C ATOM 919 CD1 ILE A 68 -7.084 -3.045 6.658 1.00 0.00 C ATOM 0 H ILE A 68 -5.039 -5.572 4.356 1.00 0.00 H new ATOM 0 HA ILE A 68 -7.433 -5.362 6.119 1.00 0.00 H new ATOM 0 HB ILE A 68 -6.863 -4.156 3.426 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -5.741 -2.824 4.985 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -7.284 -2.020 4.772 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -9.084 -3.125 3.645 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -9.175 -4.901 3.554 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -9.376 -4.078 5.119 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -6.696 -2.164 7.170 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -8.158 -3.120 6.829 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -6.592 -3.937 7.046 1.00 0.00 H new ATOM 930 N LYS A 69 -7.279 -6.828 3.183 1.00 0.00 N ATOM 931 CA LYS A 69 -7.758 -7.973 2.428 1.00 0.00 C ATOM 932 C LYS A 69 -6.825 -9.163 2.667 1.00 0.00 C ATOM 933 O LYS A 69 -5.630 -9.083 2.391 1.00 0.00 O ATOM 934 CB LYS A 69 -7.925 -7.610 0.951 1.00 0.00 C ATOM 935 CG LYS A 69 -8.792 -6.360 0.788 1.00 0.00 C ATOM 936 CD LYS A 69 -10.278 -6.721 0.777 1.00 0.00 C ATOM 937 CE LYS A 69 -10.676 -7.361 -0.555 1.00 0.00 C ATOM 938 NZ LYS A 69 -12.147 -7.342 -0.721 1.00 0.00 N ATOM 0 H LYS A 69 -6.731 -6.160 2.642 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.749 -8.269 2.773 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -6.947 -7.439 0.502 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -8.380 -8.444 0.417 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -8.589 -5.664 1.602 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -8.531 -5.851 -0.140 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -10.495 -7.409 1.594 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -10.875 -5.825 0.947 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -10.204 -6.824 -1.378 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -10.313 -8.388 -0.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -12.399 -7.780 -1.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -12.591 -7.874 0.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -12.486 -6.359 -0.705 1.00 0.00 H new ATOM 948 N ARG A 70 -7.409 -10.237 3.177 1.00 0.00 N ATOM 949 CA ARG A 70 -6.645 -11.442 3.456 1.00 0.00 C ATOM 950 C ARG A 70 -5.719 -11.766 2.283 1.00 0.00 C ATOM 951 O ARG A 70 -6.047 -11.485 1.131 1.00 0.00 O ATOM 952 CB ARG A 70 -7.570 -12.633 3.712 1.00 0.00 C ATOM 953 CG ARG A 70 -8.219 -12.537 5.094 1.00 0.00 C ATOM 954 CD ARG A 70 -9.517 -11.729 5.035 1.00 0.00 C ATOM 955 NE ARG A 70 -10.609 -12.476 5.697 1.00 0.00 N ATOM 956 CZ ARG A 70 -10.836 -12.464 7.017 1.00 0.00 C ATOM 957 NH1 ARG A 70 -10.047 -11.743 7.825 1.00 0.00 N ATOM 958 NH2 ARG A 70 -11.851 -13.174 7.530 1.00 0.00 N ATOM 0 H ARG A 70 -8.401 -10.299 3.404 1.00 0.00 H new ATOM 0 HA ARG A 70 -6.051 -11.259 4.352 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -8.344 -12.669 2.945 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -7.003 -13.561 3.636 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -8.426 -13.538 5.473 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -7.526 -12.069 5.793 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -9.377 -10.765 5.523 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -9.781 -11.526 3.997 1.00 0.00 H new ATOM 0 HE ARG A 70 -11.228 -13.036 5.111 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -9.274 -11.204 7.435 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -10.219 -11.733 8.830 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -12.451 -13.724 6.915 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -12.023 -13.164 8.535 1.00 0.00 H new ATOM 969 N PRO A 71 -4.548 -12.369 2.625 1.00 0.00 N ATOM 970 CA PRO A 71 -3.572 -12.735 1.613 1.00 0.00 C ATOM 971 C PRO A 71 -4.024 -13.975 0.837 1.00 0.00 C ATOM 972 O PRO A 71 -4.176 -15.051 1.414 1.00 0.00 O ATOM 973 CB PRO A 71 -2.276 -12.953 2.378 1.00 0.00 C ATOM 974 CG PRO A 71 -2.678 -13.156 3.829 1.00 0.00 C ATOM 975 CD PRO A 71 -4.126 -12.717 3.978 1.00 0.00 C ATOM 0 HA PRO A 71 -3.446 -11.965 0.852 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -1.739 -13.821 1.996 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -1.612 -12.095 2.273 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -2.565 -14.202 4.113 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -2.033 -12.575 4.488 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -4.742 -13.516 4.392 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -4.214 -11.865 4.652 1.00 0.00 H new ATOM 980 N GLY A 72 -4.226 -13.782 -0.458 1.00 0.00 N ATOM 981 CA GLY A 72 -4.657 -14.869 -1.318 1.00 0.00 C ATOM 982 C GLY A 72 -5.988 -14.537 -1.997 1.00 0.00 C ATOM 983 O GLY A 72 -6.563 -15.376 -2.688 1.00 0.00 O ATOM 0 H GLY A 72 -4.099 -12.888 -0.932 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -3.897 -15.062 -2.075 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -4.762 -15.782 -0.732 1.00 0.00 H new ATOM 987 N ALA A 73 -6.438 -13.311 -1.776 1.00 0.00 N ATOM 988 CA ALA A 73 -7.691 -12.857 -2.358 1.00 0.00 C ATOM 989 C ALA A 73 -7.485 -12.582 -3.848 1.00 0.00 C ATOM 990 O ALA A 73 -6.368 -12.685 -4.354 1.00 0.00 O ATOM 991 CB ALA A 73 -8.189 -11.626 -1.599 1.00 0.00 C ATOM 0 H ALA A 73 -5.958 -12.618 -1.202 1.00 0.00 H new ATOM 0 HA ALA A 73 -8.458 -13.626 -2.269 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -9.128 -11.285 -2.035 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -8.347 -11.884 -0.552 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -7.447 -10.831 -1.669 1.00 0.00 H new ATOM 997 N VAL A 74 -8.579 -12.235 -4.509 1.00 0.00 N ATOM 998 CA VAL A 74 -8.533 -11.944 -5.932 1.00 0.00 C ATOM 999 C VAL A 74 -8.333 -10.440 -6.134 1.00 0.00 C ATOM 1000 O VAL A 74 -9.188 -9.640 -5.757 1.00 0.00 O ATOM 1001 CB VAL A 74 -9.793 -12.476 -6.617 1.00 0.00 C ATOM 1002 CG1 VAL A 74 -10.962 -11.501 -6.449 1.00 0.00 C ATOM 1003 CG2 VAL A 74 -9.533 -12.769 -8.096 1.00 0.00 C ATOM 0 H VAL A 74 -9.503 -12.149 -4.086 1.00 0.00 H new ATOM 0 HA VAL A 74 -7.688 -12.451 -6.398 1.00 0.00 H new ATOM 0 HB VAL A 74 -10.065 -13.414 -6.133 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -11.845 -11.903 -6.945 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -11.172 -11.364 -5.388 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -10.702 -10.541 -6.894 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -10.445 -13.146 -8.558 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -9.223 -11.853 -8.599 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -8.745 -13.517 -8.186 1.00 0.00 H new ATOM 1013 N LEU A 75 -7.197 -10.101 -6.727 1.00 0.00 N ATOM 1014 CA LEU A 75 -6.874 -8.708 -6.983 1.00 0.00 C ATOM 1015 C LEU A 75 -7.668 -8.219 -8.196 1.00 0.00 C ATOM 1016 O LEU A 75 -7.648 -8.851 -9.251 1.00 0.00 O ATOM 1017 CB LEU A 75 -5.361 -8.527 -7.125 1.00 0.00 C ATOM 1018 CG LEU A 75 -4.687 -7.654 -6.065 1.00 0.00 C ATOM 1019 CD1 LEU A 75 -4.767 -6.174 -6.442 1.00 0.00 C ATOM 1020 CD2 LEU A 75 -5.275 -7.925 -4.678 1.00 0.00 C ATOM 0 H LEU A 75 -6.490 -10.767 -7.037 1.00 0.00 H new ATOM 0 HA LEU A 75 -7.169 -8.087 -6.137 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -4.894 -9.512 -7.106 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -5.157 -8.096 -8.105 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.630 -7.919 -6.025 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -4.280 -5.576 -5.672 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -4.266 -6.014 -7.397 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -5.812 -5.876 -6.527 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -4.779 -7.292 -3.942 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -6.342 -7.704 -4.686 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -5.123 -8.972 -4.417 1.00 0.00 H new ATOM 1031 N GLU A 76 -8.349 -7.099 -8.004 1.00 0.00 N ATOM 1032 CA GLU A 76 -9.148 -6.517 -9.069 1.00 0.00 C ATOM 1033 C GLU A 76 -8.750 -5.058 -9.297 1.00 0.00 C ATOM 1034 O GLU A 76 -8.343 -4.369 -8.362 1.00 0.00 O ATOM 1035 CB GLU A 76 -10.642 -6.637 -8.761 1.00 0.00 C ATOM 1036 CG GLU A 76 -11.204 -7.964 -9.273 1.00 0.00 C ATOM 1037 CD GLU A 76 -12.680 -8.115 -8.901 1.00 0.00 C ATOM 1038 OE1 GLU A 76 -13.502 -7.435 -9.552 1.00 0.00 O ATOM 1039 OE2 GLU A 76 -12.953 -8.907 -7.973 1.00 0.00 O ATOM 0 H GLU A 76 -8.364 -6.579 -7.127 1.00 0.00 H new ATOM 0 HA GLU A 76 -8.954 -7.072 -9.987 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -10.802 -6.561 -7.685 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -11.179 -5.809 -9.222 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -11.091 -8.017 -10.356 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -10.633 -8.791 -8.852 1.00 0.00 H new ATOM 1044 N ALA A 77 -8.880 -4.628 -10.543 1.00 0.00 N ATOM 1045 CA ALA A 77 -8.539 -3.263 -10.905 1.00 0.00 C ATOM 1046 C ALA A 77 -9.494 -2.299 -10.199 1.00 0.00 C ATOM 1047 O ALA A 77 -10.710 -2.397 -10.359 1.00 0.00 O ATOM 1048 CB ALA A 77 -8.578 -3.113 -12.427 1.00 0.00 C ATOM 0 H ALA A 77 -9.217 -5.202 -11.316 1.00 0.00 H new ATOM 0 HA ALA A 77 -7.527 -3.021 -10.580 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -8.322 -2.089 -12.698 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -7.860 -3.798 -12.879 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -9.579 -3.345 -12.790 1.00 0.00 H new ATOM 1054 N GLY A 78 -8.908 -1.390 -9.433 1.00 0.00 N ATOM 1055 CA GLY A 78 -9.693 -0.410 -8.703 1.00 0.00 C ATOM 1056 C GLY A 78 -10.420 -1.058 -7.523 1.00 0.00 C ATOM 1057 O GLY A 78 -11.615 -0.843 -7.331 1.00 0.00 O ATOM 0 H GLY A 78 -7.899 -1.312 -9.302 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -9.042 0.386 -8.341 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -10.419 0.052 -9.373 1.00 0.00 H new ATOM 1061 N CYS A 79 -9.666 -1.838 -6.762 1.00 0.00 N ATOM 1062 CA CYS A 79 -10.224 -2.519 -5.605 1.00 0.00 C ATOM 1063 C CYS A 79 -9.382 -2.154 -4.381 1.00 0.00 C ATOM 1064 O CYS A 79 -8.341 -1.509 -4.508 1.00 0.00 O ATOM 1065 CB CYS A 79 -10.294 -4.033 -5.818 1.00 0.00 C ATOM 1066 SG CYS A 79 -11.906 -4.486 -6.557 1.00 0.00 S ATOM 0 H CYS A 79 -8.674 -2.014 -6.924 1.00 0.00 H new ATOM 0 HA CYS A 79 -11.252 -2.192 -5.449 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -9.482 -4.355 -6.470 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -10.163 -4.549 -4.867 1.00 0.00 H new ATOM 0 HG CYS A 79 -12.237 -5.684 -6.175 1.00 0.00 H new ATOM 1071 N VAL A 80 -9.863 -2.581 -3.222 1.00 0.00 N ATOM 1072 CA VAL A 80 -9.168 -2.308 -1.976 1.00 0.00 C ATOM 1073 C VAL A 80 -8.149 -3.418 -1.711 1.00 0.00 C ATOM 1074 O VAL A 80 -8.386 -4.577 -2.051 1.00 0.00 O ATOM 1075 CB VAL A 80 -10.177 -2.139 -0.839 1.00 0.00 C ATOM 1076 CG1 VAL A 80 -10.955 -3.435 -0.599 1.00 0.00 C ATOM 1077 CG2 VAL A 80 -9.487 -1.668 0.442 1.00 0.00 C ATOM 0 H VAL A 80 -10.726 -3.114 -3.120 1.00 0.00 H new ATOM 0 HA VAL A 80 -8.617 -1.370 -2.045 1.00 0.00 H new ATOM 0 HB VAL A 80 -10.890 -1.370 -1.136 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -11.665 -3.288 0.214 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -11.494 -3.709 -1.506 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -10.261 -4.232 -0.334 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -10.227 -1.556 1.234 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -8.740 -2.402 0.744 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -9.001 -0.709 0.262 1.00 0.00 H new ATOM 1087 N VAL A 81 -7.037 -3.025 -1.107 1.00 0.00 N ATOM 1088 CA VAL A 81 -5.982 -3.974 -0.792 1.00 0.00 C ATOM 1089 C VAL A 81 -5.594 -3.828 0.681 1.00 0.00 C ATOM 1090 O VAL A 81 -5.743 -4.766 1.462 1.00 0.00 O ATOM 1091 CB VAL A 81 -4.801 -3.776 -1.744 1.00 0.00 C ATOM 1092 CG1 VAL A 81 -3.832 -4.959 -1.667 1.00 0.00 C ATOM 1093 CG2 VAL A 81 -5.284 -3.555 -3.178 1.00 0.00 C ATOM 0 H VAL A 81 -6.844 -2.063 -0.828 1.00 0.00 H new ATOM 0 HA VAL A 81 -6.331 -4.996 -0.936 1.00 0.00 H new ATOM 0 HB VAL A 81 -4.263 -2.881 -1.431 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -3.001 -4.794 -2.353 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -3.450 -5.051 -0.650 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -4.354 -5.875 -1.943 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -4.425 -3.417 -3.834 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -5.856 -4.422 -3.507 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -5.916 -2.668 -3.216 1.00 0.00 H new ATOM 1103 N ALA A 82 -5.103 -2.643 1.016 1.00 0.00 N ATOM 1104 CA ALA A 82 -4.692 -2.362 2.381 1.00 0.00 C ATOM 1105 C ALA A 82 -4.960 -0.889 2.696 1.00 0.00 C ATOM 1106 O ALA A 82 -5.554 -0.176 1.890 1.00 0.00 O ATOM 1107 CB ALA A 82 -3.220 -2.738 2.559 1.00 0.00 C ATOM 0 H ALA A 82 -4.981 -1.867 0.365 1.00 0.00 H new ATOM 0 HA ALA A 82 -5.268 -2.960 3.086 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -2.912 -2.527 3.583 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -3.088 -3.800 2.352 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -2.610 -2.155 1.869 1.00 0.00 H new ATOM 1113 N ARG A 83 -4.509 -0.477 3.872 1.00 0.00 N ATOM 1114 CA ARG A 83 -4.692 0.898 4.304 1.00 0.00 C ATOM 1115 C ARG A 83 -3.346 1.623 4.354 1.00 0.00 C ATOM 1116 O ARG A 83 -2.308 1.000 4.568 1.00 0.00 O ATOM 1117 CB ARG A 83 -5.347 0.958 5.686 1.00 0.00 C ATOM 1118 CG ARG A 83 -6.871 0.877 5.575 1.00 0.00 C ATOM 1119 CD ARG A 83 -7.463 2.226 5.163 1.00 0.00 C ATOM 1120 NE ARG A 83 -8.774 2.424 5.821 1.00 0.00 N ATOM 1121 CZ ARG A 83 -8.939 2.548 7.144 1.00 0.00 C ATOM 1122 NH1 ARG A 83 -7.878 2.494 7.960 1.00 0.00 N ATOM 1123 NH2 ARG A 83 -10.166 2.726 7.653 1.00 0.00 N ATOM 0 H ARG A 83 -4.017 -1.072 4.539 1.00 0.00 H new ATOM 0 HA ARG A 83 -5.346 1.388 3.582 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -4.980 0.137 6.302 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -5.064 1.884 6.187 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -7.146 0.117 4.844 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -7.293 0.567 6.531 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -6.782 3.031 5.440 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -7.580 2.266 4.080 1.00 0.00 H new ATOM 0 HE ARG A 83 -9.604 2.469 5.230 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -6.944 2.358 7.574 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -8.004 2.589 8.968 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -10.975 2.767 7.033 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -10.291 2.820 8.661 1.00 0.00 H new ATOM 1134 N LEU A 84 -3.407 2.931 4.151 1.00 0.00 N ATOM 1135 CA LEU A 84 -2.205 3.748 4.169 1.00 0.00 C ATOM 1136 C LEU A 84 -2.380 4.881 5.182 1.00 0.00 C ATOM 1137 O LEU A 84 -3.289 5.699 5.054 1.00 0.00 O ATOM 1138 CB LEU A 84 -1.865 4.232 2.758 1.00 0.00 C ATOM 1139 CG LEU A 84 -0.454 3.907 2.260 1.00 0.00 C ATOM 1140 CD1 LEU A 84 -0.087 4.774 1.054 1.00 0.00 C ATOM 1141 CD2 LEU A 84 0.568 4.033 3.391 1.00 0.00 C ATOM 0 H LEU A 84 -4.270 3.445 3.973 1.00 0.00 H new ATOM 0 HA LEU A 84 -1.348 3.158 4.494 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -2.583 3.797 2.063 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -2.001 5.313 2.723 1.00 0.00 H new ATOM 0 HG LEU A 84 -0.438 2.869 1.927 1.00 0.00 H new ATOM 0 HD11 LEU A 84 0.920 4.524 0.719 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.794 4.591 0.245 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.124 5.826 1.337 1.00 0.00 H new ATOM 0 HD21 LEU A 84 1.562 3.797 3.011 1.00 0.00 H new ATOM 0 HD22 LEU A 84 0.560 5.052 3.777 1.00 0.00 H new ATOM 0 HD23 LEU A 84 0.312 3.340 4.192 1.00 0.00 H new ATOM 1152 N GLU A 85 -1.493 4.893 6.167 1.00 0.00 N ATOM 1153 CA GLU A 85 -1.537 5.912 7.201 1.00 0.00 C ATOM 1154 C GLU A 85 -0.564 7.046 6.873 1.00 0.00 C ATOM 1155 O GLU A 85 0.609 6.987 7.238 1.00 0.00 O ATOM 1156 CB GLU A 85 -1.236 5.312 8.576 1.00 0.00 C ATOM 1157 CG GLU A 85 -2.385 5.570 9.552 1.00 0.00 C ATOM 1158 CD GLU A 85 -2.064 6.742 10.480 1.00 0.00 C ATOM 1159 OE1 GLU A 85 -1.473 7.721 9.976 1.00 0.00 O ATOM 1160 OE2 GLU A 85 -2.418 6.632 11.675 1.00 0.00 O ATOM 0 H GLU A 85 -0.740 4.213 6.270 1.00 0.00 H new ATOM 0 HA GLU A 85 -2.546 6.324 7.233 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -1.070 4.239 8.480 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -0.316 5.743 8.971 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -3.298 5.782 8.996 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -2.572 4.674 10.144 1.00 0.00 H new