USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 582 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 25 GLN : amide:sc= 0.295 K(o=-1.3,f=-3.1) USER MOD Set 1.2: A 88 GLN : amide:sc= -1.62 K(o=-1.3,f=-3.7!) USER MOD Single : A 17 HIS : no HD1:sc= -0.106 X(o=-0.11,f=0) USER MOD Single : A 19 ASN : amide:sc= -1.71 K(o=-1.7,f=-6.4!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 103:sc= 1.26 USER MOD Single : A 31 GLN : amide:sc= -5.01! C(o=-5!,f=-6.7!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 167:sc=-0.00894 (180deg=-0.202) USER MOD Single : A 37 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.473 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 MET CE :methyl -156:sc= -0.705 (180deg=-2.94!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 3:sc= 0.869 USER MOD Single : A 48 CYS SG : rot 147:sc= -3.81! USER MOD Single : A 51 GLN : amide:sc= -1.4 K(o=-1.4,f=-4.3!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 MET CE :methyl -112:sc= -1.77 (180deg=-4.05!) USER MOD Single : A 57 GLN : amide:sc= -6.25! K(o=-6.2!,f=-0.63) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 68 ASN : amide:sc= -2.15! K(o=-2.2!,f=-0.0018) USER MOD Single : A 70 THR OG1 : rot -42:sc= 0.878 USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.0433 USER MOD Single : A 75 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 78 MET CE :methyl 164:sc= -0.926 (180deg=-1.86) USER MOD Single : A 83 THR OG1 : rot 180:sc= -0.205 USER MOD ----------------------------------------------------------------- ATOM 242 N HIS A 17 -2.764 12.935 8.162 1.00 0.00 N ATOM 243 CA HIS A 17 -2.642 11.528 7.853 1.00 0.00 C ATOM 244 C HIS A 17 -3.990 10.991 7.403 1.00 0.00 C ATOM 245 O HIS A 17 -5.035 11.431 7.889 1.00 0.00 O ATOM 246 CB HIS A 17 -2.101 10.728 9.073 1.00 0.00 C ATOM 247 CG HIS A 17 -3.134 10.387 10.125 1.00 0.00 C ATOM 248 ND1 HIS A 17 -3.362 11.161 11.239 1.00 0.00 N ATOM 249 CD2 HIS A 17 -4.002 9.342 10.215 1.00 0.00 C ATOM 250 CE1 HIS A 17 -4.321 10.620 11.964 1.00 0.00 C ATOM 251 NE2 HIS A 17 -4.730 9.516 11.366 1.00 0.00 N ATOM 0 HA HIS A 17 -1.922 11.406 7.044 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -1.654 9.802 8.711 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -1.304 11.305 9.542 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -4.100 8.528 9.512 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -4.708 11.014 12.892 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -5.465 8.895 11.703 1.00 0.00 H new ATOM 260 N ILE A 18 -3.982 10.059 6.481 1.00 0.00 N ATOM 261 CA ILE A 18 -5.214 9.473 5.986 1.00 0.00 C ATOM 262 C ILE A 18 -5.119 7.967 5.960 1.00 0.00 C ATOM 263 O ILE A 18 -4.038 7.390 6.112 1.00 0.00 O ATOM 264 CB ILE A 18 -5.592 9.977 4.573 1.00 0.00 C ATOM 265 CG1 ILE A 18 -4.401 9.863 3.622 1.00 0.00 C ATOM 266 CG2 ILE A 18 -6.116 11.402 4.630 1.00 0.00 C ATOM 267 CD1 ILE A 18 -4.766 10.057 2.168 1.00 0.00 C ATOM 0 H ILE A 18 -3.134 9.686 6.054 1.00 0.00 H new ATOM 0 HA ILE A 18 -5.996 9.787 6.677 1.00 0.00 H new ATOM 0 HB ILE A 18 -6.391 9.344 4.186 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -3.652 10.603 3.902 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -3.941 8.882 3.745 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -6.375 11.735 3.625 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -7.002 11.439 5.264 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -5.347 12.056 5.042 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -3.871 9.962 1.553 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -5.492 9.300 1.871 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -5.198 11.048 2.030 1.00 0.00 H new ATOM 279 N ASN A 19 -6.245 7.329 5.769 1.00 0.00 N ATOM 280 CA ASN A 19 -6.303 5.887 5.737 1.00 0.00 C ATOM 281 C ASN A 19 -6.339 5.406 4.295 1.00 0.00 C ATOM 282 O ASN A 19 -7.122 5.896 3.496 1.00 0.00 O ATOM 283 CB ASN A 19 -7.556 5.379 6.478 1.00 0.00 C ATOM 284 CG ASN A 19 -8.054 6.333 7.558 1.00 0.00 C ATOM 285 OD1 ASN A 19 -7.602 6.302 8.695 1.00 0.00 O ATOM 286 ND2 ASN A 19 -9.006 7.172 7.208 1.00 0.00 N ATOM 0 H ASN A 19 -7.144 7.790 5.632 1.00 0.00 H new ATOM 0 HA ASN A 19 -5.416 5.494 6.233 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -8.354 5.214 5.754 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -7.333 4.414 6.932 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -9.390 7.823 7.893 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -9.360 7.171 6.251 1.00 0.00 H new ATOM 293 N LEU A 20 -5.478 4.475 3.954 1.00 0.00 N ATOM 294 CA LEU A 20 -5.452 3.894 2.620 1.00 0.00 C ATOM 295 C LEU A 20 -5.549 2.386 2.734 1.00 0.00 C ATOM 296 O LEU A 20 -4.783 1.757 3.459 1.00 0.00 O ATOM 297 CB LEU A 20 -4.168 4.273 1.854 1.00 0.00 C ATOM 298 CG LEU A 20 -4.022 5.741 1.424 1.00 0.00 C ATOM 299 CD1 LEU A 20 -5.287 6.251 0.756 1.00 0.00 C ATOM 300 CD2 LEU A 20 -3.626 6.620 2.591 1.00 0.00 C ATOM 0 H LEU A 20 -4.775 4.096 4.588 1.00 0.00 H new ATOM 0 HA LEU A 20 -6.300 4.289 2.061 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.312 4.016 2.478 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.110 3.651 0.961 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.219 5.788 0.688 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.150 7.292 0.464 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -5.498 5.651 -0.129 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -6.122 6.176 1.453 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -3.531 7.652 2.253 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -4.390 6.561 3.367 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.672 6.281 2.995 1.00 0.00 H new ATOM 312 N LYS A 21 -6.487 1.802 2.038 1.00 0.00 N ATOM 313 CA LYS A 21 -6.689 0.375 2.096 1.00 0.00 C ATOM 314 C LYS A 21 -6.272 -0.290 0.803 1.00 0.00 C ATOM 315 O LYS A 21 -6.496 0.227 -0.275 1.00 0.00 O ATOM 316 CB LYS A 21 -8.140 0.059 2.412 1.00 0.00 C ATOM 317 CG LYS A 21 -8.509 -1.398 2.223 1.00 0.00 C ATOM 318 CD LYS A 21 -9.854 -1.697 2.818 1.00 0.00 C ATOM 319 CE LYS A 21 -10.949 -0.859 2.165 1.00 0.00 C ATOM 320 NZ LYS A 21 -12.290 -1.196 2.687 1.00 0.00 N ATOM 0 H LYS A 21 -7.130 2.295 1.418 1.00 0.00 H new ATOM 0 HA LYS A 21 -6.062 -0.022 2.894 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -8.347 0.345 3.443 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -8.781 0.671 1.777 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -8.516 -1.639 1.160 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -7.753 -2.031 2.688 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -10.081 -2.756 2.694 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -9.832 -1.499 3.890 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -10.748 0.198 2.338 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -10.930 -1.015 1.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -13.004 -0.604 2.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -12.494 -2.199 2.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -12.317 -1.023 3.712 1.00 0.00 H new ATOM 334 N VAL A 22 -5.678 -1.450 0.913 1.00 0.00 N ATOM 335 CA VAL A 22 -5.212 -2.174 -0.244 1.00 0.00 C ATOM 336 C VAL A 22 -6.013 -3.450 -0.420 1.00 0.00 C ATOM 337 O VAL A 22 -6.125 -4.253 0.504 1.00 0.00 O ATOM 338 CB VAL A 22 -3.717 -2.525 -0.126 1.00 0.00 C ATOM 339 CG1 VAL A 22 -3.220 -3.164 -1.404 1.00 0.00 C ATOM 340 CG2 VAL A 22 -2.899 -1.289 0.209 1.00 0.00 C ATOM 0 H VAL A 22 -5.504 -1.919 1.802 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.348 -1.529 -1.112 1.00 0.00 H new ATOM 0 HB VAL A 22 -3.597 -3.242 0.686 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -2.162 -3.405 -1.303 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.783 -4.077 -1.597 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.356 -2.471 -2.234 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.846 -1.560 0.288 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.025 -0.545 -0.578 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.239 -0.874 1.158 1.00 0.00 H new ATOM 350 N ALA A 23 -6.559 -3.642 -1.603 1.00 0.00 N ATOM 351 CA ALA A 23 -7.371 -4.807 -1.892 1.00 0.00 C ATOM 352 C ALA A 23 -6.929 -5.452 -3.180 1.00 0.00 C ATOM 353 O ALA A 23 -6.925 -4.833 -4.245 1.00 0.00 O ATOM 354 CB ALA A 23 -8.841 -4.442 -1.958 1.00 0.00 C ATOM 0 H ALA A 23 -6.454 -2.999 -2.388 1.00 0.00 H new ATOM 0 HA ALA A 23 -7.236 -5.523 -1.081 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -9.428 -5.334 -2.176 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -9.156 -4.026 -1.001 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -8.998 -3.703 -2.744 1.00 0.00 H new ATOM 360 N GLY A 24 -6.563 -6.696 -3.096 1.00 0.00 N ATOM 361 CA GLY A 24 -6.095 -7.394 -4.265 1.00 0.00 C ATOM 362 C GLY A 24 -7.095 -8.391 -4.769 1.00 0.00 C ATOM 363 O GLY A 24 -7.854 -8.964 -3.986 1.00 0.00 O ATOM 0 H GLY A 24 -6.577 -7.249 -2.239 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -5.875 -6.673 -5.052 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -5.161 -7.905 -4.031 1.00 0.00 H new ATOM 367 N GLN A 25 -7.104 -8.623 -6.083 1.00 0.00 N ATOM 368 CA GLN A 25 -8.015 -9.601 -6.686 1.00 0.00 C ATOM 369 C GLN A 25 -7.768 -11.023 -6.156 1.00 0.00 C ATOM 370 O GLN A 25 -8.564 -11.935 -6.370 1.00 0.00 O ATOM 371 CB GLN A 25 -7.968 -9.561 -8.232 1.00 0.00 C ATOM 372 CG GLN A 25 -6.576 -9.420 -8.873 1.00 0.00 C ATOM 373 CD GLN A 25 -5.564 -10.442 -8.390 1.00 0.00 C ATOM 374 OE1 GLN A 25 -5.506 -11.558 -8.888 1.00 0.00 O ATOM 375 NE2 GLN A 25 -4.716 -10.035 -7.460 1.00 0.00 N ATOM 0 H GLN A 25 -6.494 -8.149 -6.749 1.00 0.00 H new ATOM 0 HA GLN A 25 -9.022 -9.313 -6.384 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -8.427 -10.474 -8.611 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -8.586 -8.729 -8.571 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -6.676 -9.507 -9.955 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -6.193 -8.420 -8.668 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -4.799 -9.096 -7.070 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -3.979 -10.660 -7.133 1.00 0.00 H new ATOM 384 N ASP A 26 -6.660 -11.191 -5.452 1.00 0.00 N ATOM 385 CA ASP A 26 -6.291 -12.459 -4.834 1.00 0.00 C ATOM 386 C ASP A 26 -7.209 -12.763 -3.651 1.00 0.00 C ATOM 387 O ASP A 26 -7.341 -13.906 -3.216 1.00 0.00 O ATOM 388 CB ASP A 26 -4.831 -12.379 -4.359 1.00 0.00 C ATOM 389 CG ASP A 26 -4.407 -13.562 -3.510 1.00 0.00 C ATOM 390 OD1 ASP A 26 -4.001 -14.594 -4.078 1.00 0.00 O ATOM 391 OD2 ASP A 26 -4.467 -13.454 -2.264 1.00 0.00 O ATOM 0 H ASP A 26 -5.983 -10.445 -5.291 1.00 0.00 H new ATOM 0 HA ASP A 26 -6.397 -13.260 -5.565 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -4.177 -12.313 -5.229 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -4.693 -11.462 -3.786 1.00 0.00 H new ATOM 396 N GLY A 27 -7.877 -11.733 -3.158 1.00 0.00 N ATOM 397 CA GLY A 27 -8.731 -11.888 -1.996 1.00 0.00 C ATOM 398 C GLY A 27 -8.077 -11.319 -0.764 1.00 0.00 C ATOM 399 O GLY A 27 -8.668 -11.267 0.309 1.00 0.00 O ATOM 0 H GLY A 27 -7.844 -10.789 -3.542 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -9.683 -11.387 -2.171 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -8.951 -12.944 -1.840 1.00 0.00 H new ATOM 403 N SER A 28 -6.842 -10.896 -0.919 1.00 0.00 N ATOM 404 CA SER A 28 -6.091 -10.313 0.162 1.00 0.00 C ATOM 405 C SER A 28 -6.364 -8.813 0.251 1.00 0.00 C ATOM 406 O SER A 28 -6.167 -8.072 -0.722 1.00 0.00 O ATOM 407 CB SER A 28 -4.602 -10.569 -0.054 1.00 0.00 C ATOM 408 OG SER A 28 -4.323 -11.964 -0.097 1.00 0.00 O ATOM 0 H SER A 28 -6.332 -10.948 -1.801 1.00 0.00 H new ATOM 0 HA SER A 28 -6.401 -10.774 1.100 1.00 0.00 H new ATOM 0 HB2 SER A 28 -4.281 -10.102 -0.985 1.00 0.00 H new ATOM 0 HB3 SER A 28 -4.030 -10.105 0.749 1.00 0.00 H new ATOM 0 HG SER A 28 -4.196 -12.244 -1.028 1.00 0.00 H new ATOM 414 N VAL A 29 -6.848 -8.365 1.391 1.00 0.00 N ATOM 415 CA VAL A 29 -7.121 -6.956 1.593 1.00 0.00 C ATOM 416 C VAL A 29 -6.818 -6.527 3.038 1.00 0.00 C ATOM 417 O VAL A 29 -7.129 -7.239 3.999 1.00 0.00 O ATOM 418 CB VAL A 29 -8.584 -6.598 1.191 1.00 0.00 C ATOM 419 CG1 VAL A 29 -9.582 -7.523 1.847 1.00 0.00 C ATOM 420 CG2 VAL A 29 -8.908 -5.151 1.506 1.00 0.00 C ATOM 0 H VAL A 29 -7.061 -8.957 2.194 1.00 0.00 H new ATOM 0 HA VAL A 29 -6.453 -6.396 0.938 1.00 0.00 H new ATOM 0 HB VAL A 29 -8.661 -6.733 0.112 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -10.591 -7.244 1.544 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -9.382 -8.550 1.541 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -9.494 -7.444 2.931 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -9.936 -4.936 1.213 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -8.792 -4.977 2.576 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -8.230 -4.498 0.956 1.00 0.00 H new ATOM 430 N VAL A 30 -6.203 -5.349 3.181 1.00 0.00 N ATOM 431 CA VAL A 30 -5.785 -4.811 4.482 1.00 0.00 C ATOM 432 C VAL A 30 -5.916 -3.284 4.462 1.00 0.00 C ATOM 433 O VAL A 30 -5.793 -2.661 3.407 1.00 0.00 O ATOM 434 CB VAL A 30 -4.302 -5.184 4.833 1.00 0.00 C ATOM 435 CG1 VAL A 30 -3.937 -4.711 6.236 1.00 0.00 C ATOM 436 CG2 VAL A 30 -4.059 -6.680 4.709 1.00 0.00 C ATOM 0 H VAL A 30 -5.980 -4.738 2.395 1.00 0.00 H new ATOM 0 HA VAL A 30 -6.431 -5.252 5.241 1.00 0.00 H new ATOM 0 HB VAL A 30 -3.662 -4.674 4.113 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -2.904 -4.982 6.454 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.048 -3.628 6.295 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -4.597 -5.184 6.963 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -3.022 -6.902 4.959 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.720 -7.214 5.392 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.261 -6.998 3.686 1.00 0.00 H new ATOM 446 N GLN A 31 -6.163 -2.679 5.614 1.00 0.00 N ATOM 447 CA GLN A 31 -6.315 -1.234 5.698 1.00 0.00 C ATOM 448 C GLN A 31 -5.118 -0.621 6.429 1.00 0.00 C ATOM 449 O GLN A 31 -4.615 -1.188 7.403 1.00 0.00 O ATOM 450 CB GLN A 31 -7.638 -0.873 6.388 1.00 0.00 C ATOM 451 CG GLN A 31 -7.984 0.611 6.329 1.00 0.00 C ATOM 452 CD GLN A 31 -7.467 1.416 7.517 1.00 0.00 C ATOM 453 OE1 GLN A 31 -7.120 2.571 7.377 1.00 0.00 O ATOM 454 NE2 GLN A 31 -7.453 0.822 8.691 1.00 0.00 N ATOM 0 H GLN A 31 -6.263 -3.167 6.504 1.00 0.00 H new ATOM 0 HA GLN A 31 -6.344 -0.820 4.690 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -8.444 -1.442 5.925 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -7.588 -1.183 7.432 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -7.574 1.033 5.411 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -9.067 0.719 6.274 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -7.751 -0.150 8.774 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -7.144 1.333 9.518 1.00 0.00 H new ATOM 463 N PHE A 32 -4.653 0.530 5.956 1.00 0.00 N ATOM 464 CA PHE A 32 -3.468 1.177 6.524 1.00 0.00 C ATOM 465 C PHE A 32 -3.718 2.656 6.784 1.00 0.00 C ATOM 466 O PHE A 32 -4.585 3.266 6.180 1.00 0.00 O ATOM 467 CB PHE A 32 -2.269 1.043 5.567 1.00 0.00 C ATOM 468 CG PHE A 32 -1.987 -0.364 5.123 1.00 0.00 C ATOM 469 CD1 PHE A 32 -2.734 -0.937 4.110 1.00 0.00 C ATOM 470 CD2 PHE A 32 -0.983 -1.109 5.714 1.00 0.00 C ATOM 471 CE1 PHE A 32 -2.490 -2.220 3.697 1.00 0.00 C ATOM 472 CE2 PHE A 32 -0.733 -2.398 5.301 1.00 0.00 C ATOM 473 CZ PHE A 32 -1.488 -2.955 4.293 1.00 0.00 C ATOM 0 H PHE A 32 -5.077 1.038 5.179 1.00 0.00 H new ATOM 0 HA PHE A 32 -3.249 0.678 7.468 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.451 1.660 4.687 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -1.381 1.442 6.058 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -3.520 -0.366 3.638 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -0.390 -0.676 6.506 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -3.082 -2.655 2.905 1.00 0.00 H new ATOM 0 HE2 PHE A 32 0.054 -2.972 5.767 1.00 0.00 H new ATOM 0 HZ PHE A 32 -1.295 -3.967 3.970 1.00 0.00 H new ATOM 483 N LYS A 33 -2.939 3.230 7.676 1.00 0.00 N ATOM 484 CA LYS A 33 -3.028 4.645 7.997 1.00 0.00 C ATOM 485 C LYS A 33 -1.658 5.282 7.884 1.00 0.00 C ATOM 486 O LYS A 33 -0.779 5.033 8.706 1.00 0.00 O ATOM 487 CB LYS A 33 -3.581 4.841 9.410 1.00 0.00 C ATOM 488 CG LYS A 33 -5.095 4.870 9.475 1.00 0.00 C ATOM 489 CD LYS A 33 -5.609 4.750 10.905 1.00 0.00 C ATOM 490 CE LYS A 33 -5.211 3.423 11.534 1.00 0.00 C ATOM 491 NZ LYS A 33 -5.892 3.195 12.833 1.00 0.00 N ATOM 0 H LYS A 33 -2.223 2.730 8.203 1.00 0.00 H new ATOM 0 HA LYS A 33 -3.707 5.123 7.291 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -3.214 4.037 10.048 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -3.191 5.774 9.817 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -5.459 5.799 9.036 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.499 4.054 8.875 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -5.214 5.570 11.504 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -6.695 4.845 10.911 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -5.455 2.610 10.850 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -4.131 3.402 11.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -5.592 2.280 13.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -5.640 3.956 13.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -6.922 3.189 12.689 1.00 0.00 H new ATOM 505 N ILE A 34 -1.462 6.093 6.865 1.00 0.00 N ATOM 506 CA ILE A 34 -0.178 6.742 6.649 1.00 0.00 C ATOM 507 C ILE A 34 -0.343 8.245 6.575 1.00 0.00 C ATOM 508 O ILE A 34 -1.456 8.767 6.621 1.00 0.00 O ATOM 509 CB ILE A 34 0.535 6.241 5.364 1.00 0.00 C ATOM 510 CG1 ILE A 34 -0.335 6.486 4.129 1.00 0.00 C ATOM 511 CG2 ILE A 34 0.897 4.764 5.488 1.00 0.00 C ATOM 512 CD1 ILE A 34 0.368 6.201 2.819 1.00 0.00 C ATOM 0 H ILE A 34 -2.174 6.321 6.171 1.00 0.00 H new ATOM 0 HA ILE A 34 0.446 6.479 7.503 1.00 0.00 H new ATOM 0 HB ILE A 34 1.458 6.808 5.245 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.227 5.863 4.195 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -0.670 7.523 4.132 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.396 4.434 4.577 1.00 0.00 H new ATOM 0 HG22 ILE A 34 1.564 4.623 6.338 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -0.010 4.178 5.638 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.312 6.398 1.991 1.00 0.00 H new ATOM 0 HD12 ILE A 34 1.244 6.843 2.729 1.00 0.00 H new ATOM 0 HD13 ILE A 34 0.679 5.157 2.793 1.00 0.00 H new ATOM 524 N LYS A 35 0.758 8.946 6.456 1.00 0.00 N ATOM 525 CA LYS A 35 0.731 10.384 6.398 1.00 0.00 C ATOM 526 C LYS A 35 0.491 10.848 4.959 1.00 0.00 C ATOM 527 O LYS A 35 0.888 10.180 4.010 1.00 0.00 O ATOM 528 CB LYS A 35 2.048 10.940 6.954 1.00 0.00 C ATOM 529 CG LYS A 35 1.920 12.284 7.644 1.00 0.00 C ATOM 530 CD LYS A 35 1.988 13.444 6.668 1.00 0.00 C ATOM 531 CE LYS A 35 1.869 14.774 7.392 1.00 0.00 C ATOM 532 NZ LYS A 35 3.023 15.022 8.289 1.00 0.00 N ATOM 0 H LYS A 35 1.691 8.538 6.397 1.00 0.00 H new ATOM 0 HA LYS A 35 -0.088 10.763 7.009 1.00 0.00 H new ATOM 0 HB2 LYS A 35 2.462 10.221 7.661 1.00 0.00 H new ATOM 0 HB3 LYS A 35 2.763 11.032 6.137 1.00 0.00 H new ATOM 0 HG2 LYS A 35 0.975 12.323 8.185 1.00 0.00 H new ATOM 0 HG3 LYS A 35 2.715 12.387 8.383 1.00 0.00 H new ATOM 0 HD2 LYS A 35 2.929 13.408 6.120 1.00 0.00 H new ATOM 0 HD3 LYS A 35 1.188 13.353 5.934 1.00 0.00 H new ATOM 0 HE2 LYS A 35 1.798 15.580 6.661 1.00 0.00 H new ATOM 0 HE3 LYS A 35 0.947 14.789 7.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 3.020 16.017 8.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 2.952 14.406 9.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 3.907 14.817 7.781 1.00 0.00 H new ATOM 546 N ARG A 36 -0.158 11.999 4.811 1.00 0.00 N ATOM 547 CA ARG A 36 -0.502 12.576 3.505 1.00 0.00 C ATOM 548 C ARG A 36 0.720 12.700 2.572 1.00 0.00 C ATOM 549 O ARG A 36 0.586 12.682 1.352 1.00 0.00 O ATOM 550 CB ARG A 36 -1.151 13.958 3.709 1.00 0.00 C ATOM 551 CG ARG A 36 -1.622 14.630 2.432 1.00 0.00 C ATOM 552 CD ARG A 36 -2.842 13.938 1.844 1.00 0.00 C ATOM 553 NE ARG A 36 -4.057 14.208 2.619 1.00 0.00 N ATOM 554 CZ ARG A 36 -5.297 13.969 2.182 1.00 0.00 C ATOM 555 NH1 ARG A 36 -5.492 13.387 1.005 1.00 0.00 N ATOM 556 NH2 ARG A 36 -6.341 14.298 2.929 1.00 0.00 N ATOM 0 H ARG A 36 -0.466 12.568 5.600 1.00 0.00 H new ATOM 0 HA ARG A 36 -1.204 11.897 3.021 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.002 13.850 4.382 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -0.434 14.612 4.205 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -1.860 15.674 2.638 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -0.814 14.626 1.700 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -2.987 14.271 0.816 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -2.666 12.863 1.809 1.00 0.00 H new ATOM 0 HE ARG A 36 -3.949 14.604 3.553 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -4.693 13.120 0.430 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -6.441 13.207 0.676 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -6.199 14.735 3.840 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -7.286 14.115 2.593 1.00 0.00 H new ATOM 570 N HIS A 37 1.913 12.821 3.138 1.00 0.00 N ATOM 571 CA HIS A 37 3.121 12.951 2.328 1.00 0.00 C ATOM 572 C HIS A 37 4.012 11.727 2.446 1.00 0.00 C ATOM 573 O HIS A 37 5.129 11.703 1.929 1.00 0.00 O ATOM 574 CB HIS A 37 3.893 14.222 2.686 1.00 0.00 C ATOM 575 CG HIS A 37 3.354 15.449 2.022 1.00 0.00 C ATOM 576 ND1 HIS A 37 2.624 16.413 2.681 1.00 0.00 N ATOM 577 CD2 HIS A 37 3.443 15.863 0.739 1.00 0.00 C ATOM 578 CE1 HIS A 37 2.287 17.362 1.829 1.00 0.00 C ATOM 579 NE2 HIS A 37 2.771 17.050 0.648 1.00 0.00 N ATOM 0 H HIS A 37 2.072 12.832 4.145 1.00 0.00 H new ATOM 0 HA HIS A 37 2.804 13.028 1.288 1.00 0.00 H new ATOM 0 HB2 HIS A 37 3.868 14.362 3.767 1.00 0.00 H new ATOM 0 HB3 HIS A 37 4.938 14.095 2.405 1.00 0.00 H new ATOM 0 HD2 HIS A 37 3.951 15.351 -0.065 1.00 0.00 H new ATOM 0 HE1 HIS A 37 1.711 18.245 2.063 1.00 0.00 H new ATOM 0 HE2 HIS A 37 2.663 17.605 -0.201 1.00 0.00 H new ATOM 588 N THR A 38 3.527 10.711 3.122 1.00 0.00 N ATOM 589 CA THR A 38 4.260 9.477 3.271 1.00 0.00 C ATOM 590 C THR A 38 4.079 8.603 2.020 1.00 0.00 C ATOM 591 O THR A 38 2.969 8.462 1.516 1.00 0.00 O ATOM 592 CB THR A 38 3.793 8.718 4.542 1.00 0.00 C ATOM 593 OG1 THR A 38 4.339 9.349 5.713 1.00 0.00 O ATOM 594 CG2 THR A 38 4.209 7.257 4.505 1.00 0.00 C ATOM 0 H THR A 38 2.617 10.717 3.582 1.00 0.00 H new ATOM 0 HA THR A 38 5.319 9.708 3.384 1.00 0.00 H new ATOM 0 HB THR A 38 2.704 8.756 4.575 1.00 0.00 H new ATOM 0 HG1 THR A 38 4.041 8.868 6.513 1.00 0.00 H new ATOM 0 HG21 THR A 38 3.865 6.758 5.411 1.00 0.00 H new ATOM 0 HG22 THR A 38 3.766 6.774 3.634 1.00 0.00 H new ATOM 0 HG23 THR A 38 5.295 7.189 4.444 1.00 0.00 H new ATOM 602 N PRO A 39 5.182 8.032 1.491 1.00 0.00 N ATOM 603 CA PRO A 39 5.140 7.197 0.288 1.00 0.00 C ATOM 604 C PRO A 39 4.345 5.911 0.501 1.00 0.00 C ATOM 605 O PRO A 39 4.367 5.319 1.587 1.00 0.00 O ATOM 606 CB PRO A 39 6.615 6.880 0.012 1.00 0.00 C ATOM 607 CG PRO A 39 7.294 7.061 1.325 1.00 0.00 C ATOM 608 CD PRO A 39 6.546 8.152 2.034 1.00 0.00 C ATOM 0 HA PRO A 39 4.643 7.704 -0.539 1.00 0.00 H new ATOM 0 HB2 PRO A 39 6.738 5.863 -0.360 1.00 0.00 H new ATOM 0 HB3 PRO A 39 7.029 7.548 -0.743 1.00 0.00 H new ATOM 0 HG2 PRO A 39 7.277 6.137 1.903 1.00 0.00 H new ATOM 0 HG3 PRO A 39 8.341 7.332 1.188 1.00 0.00 H new ATOM 0 HD2 PRO A 39 6.563 8.015 3.115 1.00 0.00 H new ATOM 0 HD3 PRO A 39 6.976 9.133 1.831 1.00 0.00 H new ATOM 616 N LEU A 40 3.649 5.471 -0.542 1.00 0.00 N ATOM 617 CA LEU A 40 2.815 4.282 -0.474 1.00 0.00 C ATOM 618 C LEU A 40 3.640 3.020 -0.241 1.00 0.00 C ATOM 619 O LEU A 40 3.104 1.989 0.151 1.00 0.00 O ATOM 620 CB LEU A 40 1.981 4.134 -1.744 1.00 0.00 C ATOM 621 CG LEU A 40 1.111 5.344 -2.115 1.00 0.00 C ATOM 622 CD1 LEU A 40 0.236 5.033 -3.309 1.00 0.00 C ATOM 623 CD2 LEU A 40 0.262 5.797 -0.934 1.00 0.00 C ATOM 0 H LEU A 40 3.649 5.928 -1.454 1.00 0.00 H new ATOM 0 HA LEU A 40 2.148 4.407 0.379 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.654 3.925 -2.576 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.333 3.265 -1.632 1.00 0.00 H new ATOM 0 HG LEU A 40 1.780 6.162 -2.382 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.371 5.905 -3.552 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.863 4.777 -4.163 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.416 4.192 -3.073 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.342 6.655 -1.228 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.392 4.982 -0.622 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.912 6.078 -0.105 1.00 0.00 H new ATOM 635 N SER A 41 4.948 3.106 -0.482 1.00 0.00 N ATOM 636 CA SER A 41 5.856 1.974 -0.308 1.00 0.00 C ATOM 637 C SER A 41 5.686 1.322 1.054 1.00 0.00 C ATOM 638 O SER A 41 5.757 0.097 1.179 1.00 0.00 O ATOM 639 CB SER A 41 7.302 2.431 -0.486 1.00 0.00 C ATOM 640 OG SER A 41 7.594 3.536 0.358 1.00 0.00 O ATOM 0 H SER A 41 5.406 3.959 -0.802 1.00 0.00 H new ATOM 0 HA SER A 41 5.610 1.232 -1.068 1.00 0.00 H new ATOM 0 HB2 SER A 41 7.978 1.607 -0.259 1.00 0.00 H new ATOM 0 HB3 SER A 41 7.474 2.708 -1.526 1.00 0.00 H new ATOM 0 HG SER A 41 8.526 3.810 0.228 1.00 0.00 H new ATOM 646 N LYS A 42 5.456 2.137 2.077 1.00 0.00 N ATOM 647 CA LYS A 42 5.270 1.637 3.430 1.00 0.00 C ATOM 648 C LYS A 42 4.133 0.626 3.479 1.00 0.00 C ATOM 649 O LYS A 42 4.309 -0.492 3.946 1.00 0.00 O ATOM 650 CB LYS A 42 4.985 2.795 4.393 1.00 0.00 C ATOM 651 CG LYS A 42 6.027 3.926 4.384 1.00 0.00 C ATOM 652 CD LYS A 42 7.398 3.492 4.921 1.00 0.00 C ATOM 653 CE LYS A 42 8.294 2.915 3.825 1.00 0.00 C ATOM 654 NZ LYS A 42 9.679 2.681 4.312 1.00 0.00 N ATOM 0 H LYS A 42 5.394 3.152 1.992 1.00 0.00 H new ATOM 0 HA LYS A 42 6.190 1.140 3.738 1.00 0.00 H new ATOM 0 HB2 LYS A 42 4.011 3.218 4.148 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.914 2.396 5.405 1.00 0.00 H new ATOM 0 HG2 LYS A 42 6.144 4.295 3.365 1.00 0.00 H new ATOM 0 HG3 LYS A 42 5.656 4.757 4.984 1.00 0.00 H new ATOM 0 HD2 LYS A 42 7.894 4.348 5.379 1.00 0.00 H new ATOM 0 HD3 LYS A 42 7.260 2.747 5.704 1.00 0.00 H new ATOM 0 HE2 LYS A 42 7.871 1.977 3.466 1.00 0.00 H new ATOM 0 HE3 LYS A 42 8.317 3.599 2.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 10.257 2.290 3.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 10.091 3.581 4.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 9.659 2.009 5.105 1.00 0.00 H new ATOM 668 N LEU A 43 2.970 1.006 2.964 1.00 0.00 N ATOM 669 CA LEU A 43 1.827 0.110 2.965 1.00 0.00 C ATOM 670 C LEU A 43 1.975 -0.977 1.914 1.00 0.00 C ATOM 671 O LEU A 43 1.497 -2.089 2.095 1.00 0.00 O ATOM 672 CB LEU A 43 0.489 0.874 2.813 1.00 0.00 C ATOM 673 CG LEU A 43 0.289 1.743 1.552 1.00 0.00 C ATOM 674 CD1 LEU A 43 -0.019 0.894 0.325 1.00 0.00 C ATOM 675 CD2 LEU A 43 -0.828 2.728 1.784 1.00 0.00 C ATOM 0 H LEU A 43 2.797 1.920 2.545 1.00 0.00 H new ATOM 0 HA LEU A 43 1.802 -0.377 3.940 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.319 0.143 2.846 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.372 1.518 3.684 1.00 0.00 H new ATOM 0 HG LEU A 43 1.220 2.277 1.363 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.153 1.542 -0.541 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.808 0.208 0.141 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.932 0.324 0.497 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.966 3.339 0.892 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.750 2.188 2.000 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.577 3.370 2.628 1.00 0.00 H new ATOM 687 N MET A 44 2.638 -0.650 0.806 1.00 0.00 N ATOM 688 CA MET A 44 2.851 -1.612 -0.270 1.00 0.00 C ATOM 689 C MET A 44 3.589 -2.830 0.232 1.00 0.00 C ATOM 690 O MET A 44 3.128 -3.960 0.086 1.00 0.00 O ATOM 691 CB MET A 44 3.653 -0.991 -1.400 1.00 0.00 C ATOM 692 CG MET A 44 2.878 -0.046 -2.284 1.00 0.00 C ATOM 693 SD MET A 44 3.880 0.561 -3.646 1.00 0.00 S ATOM 694 CE MET A 44 2.660 1.464 -4.582 1.00 0.00 C ATOM 0 H MET A 44 3.036 0.273 0.631 1.00 0.00 H new ATOM 0 HA MET A 44 1.868 -1.907 -0.638 1.00 0.00 H new ATOM 0 HB2 MET A 44 4.500 -0.454 -0.973 1.00 0.00 H new ATOM 0 HB3 MET A 44 4.062 -1.790 -2.018 1.00 0.00 H new ATOM 0 HG2 MET A 44 1.998 -0.555 -2.678 1.00 0.00 H new ATOM 0 HG3 MET A 44 2.521 0.796 -1.691 1.00 0.00 H new ATOM 0 HE1 MET A 44 2.979 1.535 -5.622 1.00 0.00 H new ATOM 0 HE2 MET A 44 1.704 0.944 -4.530 1.00 0.00 H new ATOM 0 HE3 MET A 44 2.551 2.466 -4.167 1.00 0.00 H new ATOM 704 N LYS A 45 4.737 -2.599 0.836 1.00 0.00 N ATOM 705 CA LYS A 45 5.543 -3.674 1.366 1.00 0.00 C ATOM 706 C LYS A 45 4.811 -4.355 2.509 1.00 0.00 C ATOM 707 O LYS A 45 4.727 -5.574 2.563 1.00 0.00 O ATOM 708 CB LYS A 45 6.884 -3.137 1.862 1.00 0.00 C ATOM 709 CG LYS A 45 7.705 -2.408 0.813 1.00 0.00 C ATOM 710 CD LYS A 45 8.529 -3.374 -0.006 1.00 0.00 C ATOM 711 CE LYS A 45 9.444 -2.643 -0.968 1.00 0.00 C ATOM 712 NZ LYS A 45 10.480 -3.538 -1.536 1.00 0.00 N ATOM 0 H LYS A 45 5.133 -1.669 0.971 1.00 0.00 H new ATOM 0 HA LYS A 45 5.724 -4.398 0.572 1.00 0.00 H new ATOM 0 HB2 LYS A 45 6.702 -2.459 2.696 1.00 0.00 H new ATOM 0 HB3 LYS A 45 7.472 -3.969 2.250 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.042 -1.844 0.156 1.00 0.00 H new ATOM 0 HG3 LYS A 45 8.362 -1.687 1.299 1.00 0.00 H new ATOM 0 HD2 LYS A 45 9.123 -4.001 0.658 1.00 0.00 H new ATOM 0 HD3 LYS A 45 7.867 -4.037 -0.563 1.00 0.00 H new ATOM 0 HE2 LYS A 45 8.852 -2.214 -1.777 1.00 0.00 H new ATOM 0 HE3 LYS A 45 9.926 -1.813 -0.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 11.085 -2.999 -2.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 11.062 -3.928 -0.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 10.022 -4.316 -2.052 1.00 0.00 H new ATOM 726 N ALA A 46 4.226 -3.547 3.390 1.00 0.00 N ATOM 727 CA ALA A 46 3.529 -4.056 4.568 1.00 0.00 C ATOM 728 C ALA A 46 2.418 -5.012 4.174 1.00 0.00 C ATOM 729 O ALA A 46 2.311 -6.113 4.711 1.00 0.00 O ATOM 730 CB ALA A 46 2.968 -2.913 5.387 1.00 0.00 C ATOM 0 H ALA A 46 4.221 -2.530 3.309 1.00 0.00 H new ATOM 0 HA ALA A 46 4.251 -4.603 5.174 1.00 0.00 H new ATOM 0 HB1 ALA A 46 2.452 -3.311 6.261 1.00 0.00 H new ATOM 0 HB2 ALA A 46 3.781 -2.263 5.710 1.00 0.00 H new ATOM 0 HB3 ALA A 46 2.266 -2.341 4.780 1.00 0.00 H new ATOM 736 N TYR A 47 1.591 -4.589 3.224 1.00 0.00 N ATOM 737 CA TYR A 47 0.494 -5.401 2.722 1.00 0.00 C ATOM 738 C TYR A 47 0.991 -6.751 2.236 1.00 0.00 C ATOM 739 O TYR A 47 0.497 -7.792 2.651 1.00 0.00 O ATOM 740 CB TYR A 47 -0.240 -4.659 1.585 1.00 0.00 C ATOM 741 CG TYR A 47 -1.153 -5.532 0.745 1.00 0.00 C ATOM 742 CD1 TYR A 47 -2.465 -5.778 1.128 1.00 0.00 C ATOM 743 CD2 TYR A 47 -0.698 -6.105 -0.440 1.00 0.00 C ATOM 744 CE1 TYR A 47 -3.294 -6.568 0.357 1.00 0.00 C ATOM 745 CE2 TYR A 47 -1.518 -6.895 -1.213 1.00 0.00 C ATOM 746 CZ TYR A 47 -2.814 -7.125 -0.814 1.00 0.00 C ATOM 747 OH TYR A 47 -3.634 -7.911 -1.588 1.00 0.00 O ATOM 0 H TYR A 47 1.664 -3.673 2.782 1.00 0.00 H new ATOM 0 HA TYR A 47 -0.204 -5.574 3.541 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -0.830 -3.851 2.018 1.00 0.00 H new ATOM 0 HB3 TYR A 47 0.501 -4.198 0.932 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -2.842 -5.345 2.043 1.00 0.00 H new ATOM 0 HD2 TYR A 47 0.318 -5.926 -0.759 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -4.312 -6.750 0.667 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -1.146 -7.332 -2.128 1.00 0.00 H new ATOM 0 HH TYR A 47 -4.532 -7.931 -1.197 1.00 0.00 H new ATOM 757 N CYS A 48 1.985 -6.733 1.389 1.00 0.00 N ATOM 758 CA CYS A 48 2.507 -7.948 0.804 1.00 0.00 C ATOM 759 C CYS A 48 3.188 -8.833 1.842 1.00 0.00 C ATOM 760 O CYS A 48 3.103 -10.053 1.777 1.00 0.00 O ATOM 761 CB CYS A 48 3.457 -7.592 -0.312 1.00 0.00 C ATOM 762 SG CYS A 48 2.745 -6.430 -1.480 1.00 0.00 S ATOM 0 H CYS A 48 2.457 -5.882 1.083 1.00 0.00 H new ATOM 0 HA CYS A 48 1.674 -8.525 0.402 1.00 0.00 H new ATOM 0 HB2 CYS A 48 4.366 -7.165 0.112 1.00 0.00 H new ATOM 0 HB3 CYS A 48 3.748 -8.500 -0.840 1.00 0.00 H new ATOM 0 HG CYS A 48 3.680 -5.656 -1.947 1.00 0.00 H new ATOM 768 N GLU A 49 3.841 -8.225 2.812 1.00 0.00 N ATOM 769 CA GLU A 49 4.526 -8.974 3.852 1.00 0.00 C ATOM 770 C GLU A 49 3.540 -9.731 4.747 1.00 0.00 C ATOM 771 O GLU A 49 3.817 -10.850 5.184 1.00 0.00 O ATOM 772 CB GLU A 49 5.425 -8.051 4.677 1.00 0.00 C ATOM 773 CG GLU A 49 6.581 -7.478 3.872 1.00 0.00 C ATOM 774 CD GLU A 49 7.577 -6.711 4.710 1.00 0.00 C ATOM 775 OE1 GLU A 49 7.205 -5.667 5.280 1.00 0.00 O ATOM 776 OE2 GLU A 49 8.748 -7.141 4.784 1.00 0.00 O ATOM 0 H GLU A 49 3.913 -7.212 2.904 1.00 0.00 H new ATOM 0 HA GLU A 49 5.155 -9.719 3.365 1.00 0.00 H new ATOM 0 HB2 GLU A 49 4.827 -7.233 5.078 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.821 -8.604 5.529 1.00 0.00 H new ATOM 0 HG2 GLU A 49 7.097 -8.292 3.362 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.184 -6.819 3.100 1.00 0.00 H new ATOM 783 N ARG A 50 2.385 -9.135 5.010 1.00 0.00 N ATOM 784 CA ARG A 50 1.369 -9.785 5.836 1.00 0.00 C ATOM 785 C ARG A 50 0.433 -10.663 5.003 1.00 0.00 C ATOM 786 O ARG A 50 -0.149 -11.617 5.510 1.00 0.00 O ATOM 787 CB ARG A 50 0.566 -8.750 6.642 1.00 0.00 C ATOM 788 CG ARG A 50 0.060 -7.575 5.826 1.00 0.00 C ATOM 789 CD ARG A 50 -0.700 -6.572 6.681 1.00 0.00 C ATOM 790 NE ARG A 50 -0.116 -6.428 8.021 1.00 0.00 N ATOM 791 CZ ARG A 50 0.261 -5.269 8.573 1.00 0.00 C ATOM 792 NH1 ARG A 50 0.195 -4.142 7.880 1.00 0.00 N ATOM 793 NH2 ARG A 50 0.711 -5.248 9.822 1.00 0.00 N ATOM 0 H ARG A 50 2.126 -8.210 4.668 1.00 0.00 H new ATOM 0 HA ARG A 50 1.894 -10.435 6.536 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -0.286 -9.249 7.104 1.00 0.00 H new ATOM 0 HB3 ARG A 50 1.192 -8.372 7.451 1.00 0.00 H new ATOM 0 HG2 ARG A 50 0.903 -7.077 5.346 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -0.590 -7.939 5.031 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -0.704 -5.603 6.183 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -1.739 -6.889 6.772 1.00 0.00 H new ATOM 0 HE ARG A 50 0.012 -7.276 8.573 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -0.145 -4.154 6.918 1.00 0.00 H new ATOM 0 HH12 ARG A 50 0.484 -3.262 8.308 1.00 0.00 H new ATOM 0 HH21 ARG A 50 0.769 -6.114 10.358 1.00 0.00 H new ATOM 0 HH22 ARG A 50 0.999 -4.366 10.246 1.00 0.00 H new ATOM 807 N GLN A 51 0.281 -10.348 3.722 1.00 0.00 N ATOM 808 CA GLN A 51 -0.594 -11.128 2.850 1.00 0.00 C ATOM 809 C GLN A 51 0.167 -12.232 2.140 1.00 0.00 C ATOM 810 O GLN A 51 -0.420 -13.073 1.454 1.00 0.00 O ATOM 811 CB GLN A 51 -1.310 -10.227 1.844 1.00 0.00 C ATOM 812 CG GLN A 51 -2.265 -9.244 2.500 1.00 0.00 C ATOM 813 CD GLN A 51 -3.204 -9.921 3.480 1.00 0.00 C ATOM 814 OE1 GLN A 51 -4.295 -10.354 3.118 1.00 0.00 O ATOM 815 NE2 GLN A 51 -2.776 -10.023 4.721 1.00 0.00 N ATOM 0 H GLN A 51 0.748 -9.564 3.265 1.00 0.00 H new ATOM 0 HA GLN A 51 -1.347 -11.600 3.481 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -0.568 -9.674 1.268 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -1.864 -10.847 1.139 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -1.692 -8.476 3.020 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -2.849 -8.739 1.730 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -1.862 -9.649 4.978 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -3.358 -10.476 5.426 1.00 0.00 H new ATOM 824 N GLY A 52 1.476 -12.239 2.312 1.00 0.00 N ATOM 825 CA GLY A 52 2.308 -13.246 1.689 1.00 0.00 C ATOM 826 C GLY A 52 2.375 -13.081 0.184 1.00 0.00 C ATOM 827 O GLY A 52 2.231 -14.045 -0.564 1.00 0.00 O ATOM 0 H GLY A 52 1.983 -11.559 2.878 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.314 -13.191 2.104 1.00 0.00 H new ATOM 0 HA3 GLY A 52 1.918 -14.236 1.927 1.00 0.00 H new ATOM 831 N LEU A 53 2.591 -11.859 -0.263 1.00 0.00 N ATOM 832 CA LEU A 53 2.662 -11.556 -1.682 1.00 0.00 C ATOM 833 C LEU A 53 4.028 -11.032 -2.051 1.00 0.00 C ATOM 834 O LEU A 53 4.722 -10.426 -1.233 1.00 0.00 O ATOM 835 CB LEU A 53 1.587 -10.538 -2.082 1.00 0.00 C ATOM 836 CG LEU A 53 0.341 -11.108 -2.763 1.00 0.00 C ATOM 837 CD1 LEU A 53 -0.276 -12.208 -1.927 1.00 0.00 C ATOM 838 CD2 LEU A 53 -0.668 -10.009 -3.023 1.00 0.00 C ATOM 0 H LEU A 53 2.722 -11.050 0.344 1.00 0.00 H new ATOM 0 HA LEU A 53 2.482 -12.483 -2.227 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.273 -10.001 -1.187 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.039 -9.806 -2.751 1.00 0.00 H new ATOM 0 HG LEU A 53 0.641 -11.538 -3.719 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.160 -12.597 -2.432 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.448 -13.012 -1.792 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.561 -11.809 -0.954 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -1.548 -10.431 -3.508 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.959 -9.551 -2.078 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.224 -9.253 -3.671 1.00 0.00 H new ATOM 850 N SER A 54 4.420 -11.261 -3.277 1.00 0.00 N ATOM 851 CA SER A 54 5.707 -10.812 -3.762 1.00 0.00 C ATOM 852 C SER A 54 5.576 -9.492 -4.507 1.00 0.00 C ATOM 853 O SER A 54 4.852 -9.394 -5.494 1.00 0.00 O ATOM 854 CB SER A 54 6.319 -11.867 -4.669 1.00 0.00 C ATOM 855 OG SER A 54 6.645 -13.038 -3.947 1.00 0.00 O ATOM 0 H SER A 54 3.862 -11.762 -3.968 1.00 0.00 H new ATOM 0 HA SER A 54 6.361 -10.656 -2.904 1.00 0.00 H new ATOM 0 HB2 SER A 54 5.620 -12.113 -5.468 1.00 0.00 H new ATOM 0 HB3 SER A 54 7.216 -11.467 -5.142 1.00 0.00 H new ATOM 0 HG SER A 54 7.035 -13.700 -4.556 1.00 0.00 H new ATOM 861 N MET A 55 6.314 -8.487 -4.050 1.00 0.00 N ATOM 862 CA MET A 55 6.277 -7.135 -4.633 1.00 0.00 C ATOM 863 C MET A 55 6.604 -7.149 -6.134 1.00 0.00 C ATOM 864 O MET A 55 6.147 -6.299 -6.887 1.00 0.00 O ATOM 865 CB MET A 55 7.267 -6.210 -3.891 1.00 0.00 C ATOM 866 CG MET A 55 6.920 -5.953 -2.435 1.00 0.00 C ATOM 867 SD MET A 55 5.417 -4.975 -2.236 1.00 0.00 S ATOM 868 CE MET A 55 5.875 -3.429 -3.019 1.00 0.00 C ATOM 0 H MET A 55 6.958 -8.578 -3.264 1.00 0.00 H new ATOM 0 HA MET A 55 5.262 -6.756 -4.516 1.00 0.00 H new ATOM 0 HB2 MET A 55 8.263 -6.650 -3.942 1.00 0.00 H new ATOM 0 HB3 MET A 55 7.314 -5.255 -4.414 1.00 0.00 H new ATOM 0 HG2 MET A 55 6.798 -6.907 -1.922 1.00 0.00 H new ATOM 0 HG3 MET A 55 7.751 -5.436 -1.954 1.00 0.00 H new ATOM 0 HE1 MET A 55 5.943 -2.645 -2.265 1.00 0.00 H new ATOM 0 HE2 MET A 55 6.841 -3.543 -3.512 1.00 0.00 H new ATOM 0 HE3 MET A 55 5.121 -3.158 -3.757 1.00 0.00 H new ATOM 878 N ARG A 56 7.391 -8.126 -6.567 1.00 0.00 N ATOM 879 CA ARG A 56 7.791 -8.214 -7.972 1.00 0.00 C ATOM 880 C ARG A 56 6.729 -8.928 -8.802 1.00 0.00 C ATOM 881 O ARG A 56 6.505 -8.604 -9.966 1.00 0.00 O ATOM 882 CB ARG A 56 9.134 -8.950 -8.126 1.00 0.00 C ATOM 883 CG ARG A 56 10.210 -8.515 -7.141 1.00 0.00 C ATOM 884 CD ARG A 56 10.244 -9.426 -5.921 1.00 0.00 C ATOM 885 NE ARG A 56 10.737 -10.767 -6.249 1.00 0.00 N ATOM 886 CZ ARG A 56 10.798 -11.786 -5.385 1.00 0.00 C ATOM 887 NH1 ARG A 56 10.365 -11.634 -4.134 1.00 0.00 N ATOM 888 NH2 ARG A 56 11.296 -12.953 -5.772 1.00 0.00 N ATOM 0 H ARG A 56 7.765 -8.866 -5.972 1.00 0.00 H new ATOM 0 HA ARG A 56 7.903 -7.193 -8.336 1.00 0.00 H new ATOM 0 HB2 ARG A 56 8.963 -10.020 -8.008 1.00 0.00 H new ATOM 0 HB3 ARG A 56 9.504 -8.796 -9.140 1.00 0.00 H new ATOM 0 HG2 ARG A 56 11.183 -8.526 -7.633 1.00 0.00 H new ATOM 0 HG3 ARG A 56 10.024 -7.488 -6.826 1.00 0.00 H new ATOM 0 HD2 ARG A 56 10.881 -8.983 -5.156 1.00 0.00 H new ATOM 0 HD3 ARG A 56 9.243 -9.502 -5.497 1.00 0.00 H new ATOM 0 HE ARG A 56 11.056 -10.935 -7.203 1.00 0.00 H new ATOM 0 HH11 ARG A 56 9.985 -10.737 -3.831 1.00 0.00 H new ATOM 0 HH12 ARG A 56 10.414 -12.414 -3.479 1.00 0.00 H new ATOM 0 HH21 ARG A 56 11.632 -13.072 -6.728 1.00 0.00 H new ATOM 0 HH22 ARG A 56 11.343 -13.731 -5.114 1.00 0.00 H new ATOM 902 N GLN A 57 6.074 -9.915 -8.196 1.00 0.00 N ATOM 903 CA GLN A 57 5.070 -10.718 -8.898 1.00 0.00 C ATOM 904 C GLN A 57 3.728 -10.010 -8.941 1.00 0.00 C ATOM 905 O GLN A 57 2.864 -10.338 -9.750 1.00 0.00 O ATOM 906 CB GLN A 57 4.911 -12.105 -8.247 1.00 0.00 C ATOM 907 CG GLN A 57 5.866 -13.195 -8.767 1.00 0.00 C ATOM 908 CD GLN A 57 7.243 -13.224 -8.102 1.00 0.00 C ATOM 909 OE1 GLN A 57 7.817 -14.290 -7.901 1.00 0.00 O ATOM 910 NE2 GLN A 57 7.798 -12.075 -7.816 1.00 0.00 N ATOM 0 H GLN A 57 6.218 -10.180 -7.222 1.00 0.00 H new ATOM 0 HA GLN A 57 5.423 -10.852 -9.920 1.00 0.00 H new ATOM 0 HB2 GLN A 57 5.057 -12.001 -7.172 1.00 0.00 H new ATOM 0 HB3 GLN A 57 3.886 -12.443 -8.398 1.00 0.00 H new ATOM 0 HG2 GLN A 57 5.393 -14.167 -8.628 1.00 0.00 H new ATOM 0 HG3 GLN A 57 6.001 -13.056 -9.840 1.00 0.00 H new ATOM 0 HE21 GLN A 57 7.294 -11.207 -7.995 1.00 0.00 H new ATOM 0 HE22 GLN A 57 8.735 -12.047 -7.414 1.00 0.00 H new ATOM 919 N ILE A 58 3.539 -9.043 -8.071 1.00 0.00 N ATOM 920 CA ILE A 58 2.294 -8.309 -8.040 1.00 0.00 C ATOM 921 C ILE A 58 2.501 -6.880 -8.519 1.00 0.00 C ATOM 922 O ILE A 58 3.608 -6.488 -8.878 1.00 0.00 O ATOM 923 CB ILE A 58 1.684 -8.281 -6.622 1.00 0.00 C ATOM 924 CG1 ILE A 58 2.448 -7.310 -5.727 1.00 0.00 C ATOM 925 CG2 ILE A 58 1.707 -9.679 -6.012 1.00 0.00 C ATOM 926 CD1 ILE A 58 1.763 -7.042 -4.419 1.00 0.00 C ATOM 0 H ILE A 58 4.228 -8.748 -7.379 1.00 0.00 H new ATOM 0 HA ILE A 58 1.604 -8.825 -8.707 1.00 0.00 H new ATOM 0 HB ILE A 58 0.651 -7.943 -6.699 1.00 0.00 H new ATOM 0 HG12 ILE A 58 3.442 -7.712 -5.533 1.00 0.00 H new ATOM 0 HG13 ILE A 58 2.583 -6.368 -6.258 1.00 0.00 H new ATOM 0 HG21 ILE A 58 1.274 -9.647 -5.012 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.127 -10.358 -6.637 1.00 0.00 H new ATOM 0 HG23 ILE A 58 2.736 -10.032 -5.951 1.00 0.00 H new ATOM 0 HD11 ILE A 58 2.360 -6.344 -3.832 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.779 -6.611 -4.605 1.00 0.00 H new ATOM 0 HD13 ILE A 58 1.652 -7.976 -3.869 1.00 0.00 H new ATOM 938 N ARG A 59 1.434 -6.101 -8.528 1.00 0.00 N ATOM 939 CA ARG A 59 1.515 -4.712 -8.914 1.00 0.00 C ATOM 940 C ARG A 59 0.353 -3.931 -8.329 1.00 0.00 C ATOM 941 O ARG A 59 -0.805 -4.370 -8.379 1.00 0.00 O ATOM 942 CB ARG A 59 1.547 -4.551 -10.442 1.00 0.00 C ATOM 943 CG ARG A 59 1.719 -3.104 -10.903 1.00 0.00 C ATOM 944 CD ARG A 59 3.076 -2.545 -10.487 1.00 0.00 C ATOM 945 NE ARG A 59 3.165 -1.091 -10.680 1.00 0.00 N ATOM 946 CZ ARG A 59 3.965 -0.488 -11.573 1.00 0.00 C ATOM 947 NH1 ARG A 59 4.721 -1.209 -12.396 1.00 0.00 N ATOM 948 NH2 ARG A 59 4.012 0.838 -11.630 1.00 0.00 N ATOM 0 H ARG A 59 0.498 -6.413 -8.270 1.00 0.00 H new ATOM 0 HA ARG A 59 2.448 -4.313 -8.516 1.00 0.00 H new ATOM 0 HB2 ARG A 59 2.363 -5.151 -10.845 1.00 0.00 H new ATOM 0 HB3 ARG A 59 0.622 -4.949 -10.860 1.00 0.00 H new ATOM 0 HG2 ARG A 59 1.619 -3.052 -11.987 1.00 0.00 H new ATOM 0 HG3 ARG A 59 0.925 -2.489 -10.480 1.00 0.00 H new ATOM 0 HD2 ARG A 59 3.258 -2.782 -9.439 1.00 0.00 H new ATOM 0 HD3 ARG A 59 3.860 -3.034 -11.065 1.00 0.00 H new ATOM 0 HE ARG A 59 2.577 -0.498 -10.094 1.00 0.00 H new ATOM 0 HH11 ARG A 59 4.695 -2.228 -12.351 1.00 0.00 H new ATOM 0 HH12 ARG A 59 5.326 -0.743 -13.072 1.00 0.00 H new ATOM 0 HH21 ARG A 59 3.441 1.396 -10.996 1.00 0.00 H new ATOM 0 HH22 ARG A 59 4.619 1.298 -12.308 1.00 0.00 H new ATOM 962 N PHE A 60 0.670 -2.787 -7.752 1.00 0.00 N ATOM 963 CA PHE A 60 -0.322 -1.892 -7.196 1.00 0.00 C ATOM 964 C PHE A 60 -0.867 -0.975 -8.284 1.00 0.00 C ATOM 965 O PHE A 60 -0.107 -0.426 -9.104 1.00 0.00 O ATOM 966 CB PHE A 60 0.290 -1.063 -6.065 1.00 0.00 C ATOM 967 CG PHE A 60 0.344 -1.769 -4.736 1.00 0.00 C ATOM 968 CD1 PHE A 60 0.970 -2.997 -4.601 1.00 0.00 C ATOM 969 CD2 PHE A 60 -0.236 -1.194 -3.618 1.00 0.00 C ATOM 970 CE1 PHE A 60 1.012 -3.638 -3.377 1.00 0.00 C ATOM 971 CE2 PHE A 60 -0.196 -1.828 -2.395 1.00 0.00 C ATOM 972 CZ PHE A 60 0.427 -3.053 -2.274 1.00 0.00 C ATOM 0 H PHE A 60 1.629 -2.453 -7.656 1.00 0.00 H new ATOM 0 HA PHE A 60 -1.143 -2.484 -6.791 1.00 0.00 H new ATOM 0 HB2 PHE A 60 1.301 -0.773 -6.350 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -0.286 -0.144 -5.952 1.00 0.00 H new ATOM 0 HD1 PHE A 60 1.431 -3.459 -5.462 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -0.726 -0.236 -3.706 1.00 0.00 H new ATOM 0 HE1 PHE A 60 1.502 -4.596 -3.285 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -0.652 -1.366 -1.532 1.00 0.00 H new ATOM 0 HZ PHE A 60 0.456 -3.553 -1.317 1.00 0.00 H new ATOM 982 N ARG A 61 -2.167 -0.801 -8.301 1.00 0.00 N ATOM 983 CA ARG A 61 -2.818 0.002 -9.308 1.00 0.00 C ATOM 984 C ARG A 61 -4.008 0.739 -8.710 1.00 0.00 C ATOM 985 O ARG A 61 -4.641 0.262 -7.776 1.00 0.00 O ATOM 986 CB ARG A 61 -3.264 -0.899 -10.468 1.00 0.00 C ATOM 987 CG ARG A 61 -4.031 -0.185 -11.568 1.00 0.00 C ATOM 988 CD ARG A 61 -4.372 -1.131 -12.701 1.00 0.00 C ATOM 989 NE ARG A 61 -3.174 -1.608 -13.405 1.00 0.00 N ATOM 990 CZ ARG A 61 -3.102 -2.771 -14.066 1.00 0.00 C ATOM 991 NH1 ARG A 61 -4.167 -3.567 -14.147 1.00 0.00 N ATOM 992 NH2 ARG A 61 -1.973 -3.133 -14.661 1.00 0.00 N ATOM 0 H ARG A 61 -2.803 -1.212 -7.617 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.117 0.746 -9.686 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -2.383 -1.369 -10.905 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -3.888 -1.699 -10.069 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -4.947 0.241 -11.159 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -3.436 0.645 -11.950 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -4.923 -1.984 -12.306 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -5.030 -0.626 -13.408 1.00 0.00 H new ATOM 0 HE ARG A 61 -2.344 -1.016 -13.390 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -5.044 -3.292 -13.704 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -4.106 -4.451 -14.652 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -1.155 -2.525 -14.616 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -1.923 -4.019 -15.163 1.00 0.00 H new ATOM 1006 N PHE A 62 -4.290 1.913 -9.225 1.00 0.00 N ATOM 1007 CA PHE A 62 -5.417 2.694 -8.769 1.00 0.00 C ATOM 1008 C PHE A 62 -5.877 3.628 -9.867 1.00 0.00 C ATOM 1009 O PHE A 62 -5.062 4.205 -10.571 1.00 0.00 O ATOM 1010 CB PHE A 62 -5.067 3.501 -7.516 1.00 0.00 C ATOM 1011 CG PHE A 62 -6.189 4.388 -7.079 1.00 0.00 C ATOM 1012 CD1 PHE A 62 -7.272 3.863 -6.404 1.00 0.00 C ATOM 1013 CD2 PHE A 62 -6.174 5.742 -7.368 1.00 0.00 C ATOM 1014 CE1 PHE A 62 -8.323 4.672 -6.025 1.00 0.00 C ATOM 1015 CE2 PHE A 62 -7.217 6.559 -6.988 1.00 0.00 C ATOM 1016 CZ PHE A 62 -8.294 6.024 -6.318 1.00 0.00 C ATOM 0 H PHE A 62 -3.748 2.352 -9.969 1.00 0.00 H new ATOM 0 HA PHE A 62 -6.222 2.004 -8.515 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -4.811 2.818 -6.706 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -4.183 4.108 -7.713 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -7.297 2.809 -6.170 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -5.333 6.164 -7.899 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -9.168 4.251 -5.500 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -7.189 7.615 -7.215 1.00 0.00 H new ATOM 0 HZ PHE A 62 -9.116 6.659 -6.021 1.00 0.00 H new ATOM 1026 N ASP A 63 -7.193 3.762 -10.027 1.00 0.00 N ATOM 1027 CA ASP A 63 -7.795 4.665 -11.026 1.00 0.00 C ATOM 1028 C ASP A 63 -7.469 4.188 -12.433 1.00 0.00 C ATOM 1029 O ASP A 63 -7.448 4.963 -13.387 1.00 0.00 O ATOM 1030 CB ASP A 63 -7.281 6.098 -10.832 1.00 0.00 C ATOM 1031 CG ASP A 63 -8.247 7.151 -11.345 1.00 0.00 C ATOM 1032 OD1 ASP A 63 -9.228 7.462 -10.639 1.00 0.00 O ATOM 1033 OD2 ASP A 63 -8.020 7.691 -12.444 1.00 0.00 O ATOM 0 H ASP A 63 -7.878 3.250 -9.471 1.00 0.00 H new ATOM 0 HA ASP A 63 -8.876 4.656 -10.889 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -7.094 6.270 -9.772 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -6.326 6.208 -11.346 1.00 0.00 H new ATOM 1038 N GLY A 64 -7.212 2.901 -12.563 1.00 0.00 N ATOM 1039 CA GLY A 64 -6.857 2.346 -13.849 1.00 0.00 C ATOM 1040 C GLY A 64 -5.371 2.472 -14.125 1.00 0.00 C ATOM 1041 O GLY A 64 -4.792 1.670 -14.864 1.00 0.00 O ATOM 0 H GLY A 64 -7.243 2.227 -11.798 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -7.146 1.295 -13.884 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -7.417 2.857 -14.633 1.00 0.00 H new ATOM 1045 N GLN A 65 -4.736 3.468 -13.520 1.00 0.00 N ATOM 1046 CA GLN A 65 -3.311 3.691 -13.720 1.00 0.00 C ATOM 1047 C GLN A 65 -2.492 2.937 -12.675 1.00 0.00 C ATOM 1048 O GLN A 65 -2.919 2.781 -11.529 1.00 0.00 O ATOM 1049 CB GLN A 65 -2.971 5.188 -13.653 1.00 0.00 C ATOM 1050 CG GLN A 65 -3.328 5.832 -12.328 1.00 0.00 C ATOM 1051 CD GLN A 65 -2.541 7.088 -12.040 1.00 0.00 C ATOM 1052 OE1 GLN A 65 -2.143 7.818 -12.947 1.00 0.00 O ATOM 1053 NE2 GLN A 65 -2.299 7.339 -10.772 1.00 0.00 N ATOM 0 H GLN A 65 -5.184 4.132 -12.889 1.00 0.00 H new ATOM 0 HA GLN A 65 -3.058 3.316 -14.712 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -1.904 5.318 -13.835 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -3.497 5.708 -14.454 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -4.392 6.070 -12.323 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -3.158 5.114 -11.526 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -2.648 6.707 -10.051 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -1.762 8.166 -10.509 1.00 0.00 H new ATOM 1062 N PRO A 66 -1.324 2.427 -13.055 1.00 0.00 N ATOM 1063 CA PRO A 66 -0.432 1.776 -12.118 1.00 0.00 C ATOM 1064 C PRO A 66 0.264 2.813 -11.240 1.00 0.00 C ATOM 1065 O PRO A 66 0.630 3.894 -11.706 1.00 0.00 O ATOM 1066 CB PRO A 66 0.578 1.062 -13.019 1.00 0.00 C ATOM 1067 CG PRO A 66 0.593 1.855 -14.280 1.00 0.00 C ATOM 1068 CD PRO A 66 -0.783 2.444 -14.431 1.00 0.00 C ATOM 0 HA PRO A 66 -0.946 1.095 -11.439 1.00 0.00 H new ATOM 0 HB2 PRO A 66 1.566 1.032 -12.559 1.00 0.00 H new ATOM 0 HB3 PRO A 66 0.281 0.030 -13.205 1.00 0.00 H new ATOM 0 HG2 PRO A 66 1.348 2.640 -14.236 1.00 0.00 H new ATOM 0 HG3 PRO A 66 0.840 1.223 -15.133 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -0.743 3.456 -14.833 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -1.399 1.855 -15.111 1.00 0.00 H new ATOM 1076 N ILE A 67 0.447 2.500 -9.980 1.00 0.00 N ATOM 1077 CA ILE A 67 1.086 3.442 -9.077 1.00 0.00 C ATOM 1078 C ILE A 67 2.496 3.007 -8.757 1.00 0.00 C ATOM 1079 O ILE A 67 2.968 1.975 -9.258 1.00 0.00 O ATOM 1080 CB ILE A 67 0.269 3.695 -7.792 1.00 0.00 C ATOM 1081 CG1 ILE A 67 -0.138 2.375 -7.126 1.00 0.00 C ATOM 1082 CG2 ILE A 67 -0.950 4.554 -8.108 1.00 0.00 C ATOM 1083 CD1 ILE A 67 -1.080 2.545 -5.948 1.00 0.00 C ATOM 0 H ILE A 67 0.169 1.615 -9.556 1.00 0.00 H new ATOM 0 HA ILE A 67 1.130 4.397 -9.600 1.00 0.00 H new ATOM 0 HB ILE A 67 0.896 4.235 -7.083 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -0.614 1.736 -7.870 1.00 0.00 H new ATOM 0 HG13 ILE A 67 0.760 1.858 -6.789 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -1.520 4.727 -7.195 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -0.625 5.510 -8.519 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -1.578 4.041 -8.836 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -1.321 1.567 -5.531 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -0.600 3.157 -5.184 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -1.996 3.033 -6.282 1.00 0.00 H new ATOM 1095 N ASN A 68 3.178 3.774 -7.933 1.00 0.00 N ATOM 1096 CA ASN A 68 4.572 3.514 -7.646 1.00 0.00 C ATOM 1097 C ASN A 68 4.815 3.501 -6.169 1.00 0.00 C ATOM 1098 O ASN A 68 4.019 3.983 -5.389 1.00 0.00 O ATOM 1099 CB ASN A 68 5.473 4.579 -8.273 1.00 0.00 C ATOM 1100 CG ASN A 68 4.901 5.184 -9.524 1.00 0.00 C ATOM 1101 OD1 ASN A 68 5.113 4.690 -10.629 1.00 0.00 O ATOM 1102 ND2 ASN A 68 4.177 6.265 -9.358 1.00 0.00 N ATOM 0 H ASN A 68 2.789 4.584 -7.450 1.00 0.00 H new ATOM 0 HA ASN A 68 4.810 2.539 -8.071 1.00 0.00 H new ATOM 0 HB2 ASN A 68 5.650 5.370 -7.544 1.00 0.00 H new ATOM 0 HB3 ASN A 68 6.442 4.135 -8.503 1.00 0.00 H new ATOM 0 HD21 ASN A 68 3.763 6.731 -10.166 1.00 0.00 H new ATOM 0 HD22 ASN A 68 4.027 6.640 -8.421 1.00 0.00 H new ATOM 1109 N GLU A 69 5.940 2.997 -5.788 1.00 0.00 N ATOM 1110 CA GLU A 69 6.299 2.916 -4.390 1.00 0.00 C ATOM 1111 C GLU A 69 6.527 4.315 -3.800 1.00 0.00 C ATOM 1112 O GLU A 69 6.586 4.493 -2.584 1.00 0.00 O ATOM 1113 CB GLU A 69 7.554 2.069 -4.234 1.00 0.00 C ATOM 1114 CG GLU A 69 8.735 2.604 -5.012 1.00 0.00 C ATOM 1115 CD GLU A 69 9.989 1.798 -4.791 1.00 0.00 C ATOM 1116 OE1 GLU A 69 10.126 0.723 -5.404 1.00 0.00 O ATOM 1117 OE2 GLU A 69 10.845 2.229 -3.993 1.00 0.00 O ATOM 0 H GLU A 69 6.644 2.627 -6.426 1.00 0.00 H new ATOM 0 HA GLU A 69 5.477 2.450 -3.846 1.00 0.00 H new ATOM 0 HB2 GLU A 69 7.818 2.014 -3.178 1.00 0.00 H new ATOM 0 HB3 GLU A 69 7.341 1.052 -4.563 1.00 0.00 H new ATOM 0 HG2 GLU A 69 8.493 2.608 -6.075 1.00 0.00 H new ATOM 0 HG3 GLU A 69 8.917 3.639 -4.722 1.00 0.00 H new ATOM 1124 N THR A 70 6.631 5.318 -4.659 1.00 0.00 N ATOM 1125 CA THR A 70 6.909 6.649 -4.193 1.00 0.00 C ATOM 1126 C THR A 70 5.791 7.654 -4.537 1.00 0.00 C ATOM 1127 O THR A 70 6.004 8.868 -4.454 1.00 0.00 O ATOM 1128 CB THR A 70 8.271 7.173 -4.731 1.00 0.00 C ATOM 1129 OG1 THR A 70 8.617 8.403 -4.076 1.00 0.00 O ATOM 1130 CG2 THR A 70 8.212 7.404 -6.234 1.00 0.00 C ATOM 0 H THR A 70 6.527 5.228 -5.670 1.00 0.00 H new ATOM 0 HA THR A 70 6.961 6.573 -3.107 1.00 0.00 H new ATOM 0 HB THR A 70 9.029 6.418 -4.522 1.00 0.00 H new ATOM 0 HG1 THR A 70 7.819 8.966 -3.995 1.00 0.00 H new ATOM 0 HG21 THR A 70 9.177 7.770 -6.584 1.00 0.00 H new ATOM 0 HG22 THR A 70 7.975 6.467 -6.737 1.00 0.00 H new ATOM 0 HG23 THR A 70 7.441 8.141 -6.459 1.00 0.00 H new ATOM 1138 N ASP A 71 4.586 7.189 -4.887 1.00 0.00 N ATOM 1139 CA ASP A 71 3.538 8.148 -5.213 1.00 0.00 C ATOM 1140 C ASP A 71 2.743 8.490 -3.989 1.00 0.00 C ATOM 1141 O ASP A 71 1.917 7.735 -3.529 1.00 0.00 O ATOM 1142 CB ASP A 71 2.629 7.715 -6.378 1.00 0.00 C ATOM 1143 CG ASP A 71 1.632 6.626 -6.092 1.00 0.00 C ATOM 1144 OD1 ASP A 71 2.019 5.456 -6.147 1.00 0.00 O ATOM 1145 OD2 ASP A 71 0.448 6.947 -5.898 1.00 0.00 O ATOM 0 H ASP A 71 4.325 6.205 -4.949 1.00 0.00 H new ATOM 0 HA ASP A 71 4.044 9.045 -5.571 1.00 0.00 H new ATOM 0 HB2 ASP A 71 2.084 8.592 -6.727 1.00 0.00 H new ATOM 0 HB3 ASP A 71 3.264 7.386 -7.201 1.00 0.00 H new ATOM 1150 N THR A 72 3.071 9.602 -3.398 1.00 0.00 N ATOM 1151 CA THR A 72 2.393 10.040 -2.213 1.00 0.00 C ATOM 1152 C THR A 72 0.897 10.209 -2.440 1.00 0.00 C ATOM 1153 O THR A 72 0.466 10.620 -3.524 1.00 0.00 O ATOM 1154 CB THR A 72 2.983 11.357 -1.656 1.00 0.00 C ATOM 1155 OG1 THR A 72 2.593 12.464 -2.484 1.00 0.00 O ATOM 1156 CG2 THR A 72 4.494 11.284 -1.618 1.00 0.00 C ATOM 0 H THR A 72 3.810 10.227 -3.721 1.00 0.00 H new ATOM 0 HA THR A 72 2.547 9.253 -1.475 1.00 0.00 H new ATOM 0 HB THR A 72 2.600 11.500 -0.646 1.00 0.00 H new ATOM 0 HG1 THR A 72 2.970 13.293 -2.121 1.00 0.00 H new ATOM 0 HG21 THR A 72 4.894 12.218 -1.224 1.00 0.00 H new ATOM 0 HG22 THR A 72 4.802 10.458 -0.977 1.00 0.00 H new ATOM 0 HG23 THR A 72 4.876 11.123 -2.626 1.00 0.00 H new ATOM 1164 N PRO A 73 0.082 9.912 -1.406 1.00 0.00 N ATOM 1165 CA PRO A 73 -1.375 10.047 -1.477 1.00 0.00 C ATOM 1166 C PRO A 73 -1.792 11.485 -1.783 1.00 0.00 C ATOM 1167 O PRO A 73 -2.926 11.752 -2.176 1.00 0.00 O ATOM 1168 CB PRO A 73 -1.848 9.640 -0.074 1.00 0.00 C ATOM 1169 CG PRO A 73 -0.641 9.751 0.790 1.00 0.00 C ATOM 1170 CD PRO A 73 0.519 9.410 -0.091 1.00 0.00 C ATOM 0 HA PRO A 73 -1.806 9.438 -2.272 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -2.646 10.294 0.278 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -2.243 8.624 -0.071 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -0.542 10.757 1.197 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -0.702 9.069 1.638 1.00 0.00 H new ATOM 0 HD2 PRO A 73 1.437 9.893 0.243 1.00 0.00 H new ATOM 0 HD3 PRO A 73 0.712 8.337 -0.110 1.00 0.00 H new ATOM 1178 N ALA A 74 -0.864 12.409 -1.614 1.00 0.00 N ATOM 1179 CA ALA A 74 -1.114 13.809 -1.887 1.00 0.00 C ATOM 1180 C ALA A 74 -1.014 14.086 -3.380 1.00 0.00 C ATOM 1181 O ALA A 74 -1.703 14.957 -3.911 1.00 0.00 O ATOM 1182 CB ALA A 74 -0.129 14.679 -1.122 1.00 0.00 C ATOM 0 H ALA A 74 0.081 12.209 -1.285 1.00 0.00 H new ATOM 0 HA ALA A 74 -2.124 14.051 -1.557 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -0.328 15.729 -1.336 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -0.240 14.500 -0.053 1.00 0.00 H new ATOM 0 HB3 ALA A 74 0.888 14.433 -1.428 1.00 0.00 H new ATOM 1188 N GLN A 75 -0.164 13.330 -4.058 1.00 0.00 N ATOM 1189 CA GLN A 75 0.050 13.491 -5.487 1.00 0.00 C ATOM 1190 C GLN A 75 -1.176 13.099 -6.283 1.00 0.00 C ATOM 1191 O GLN A 75 -1.686 13.874 -7.097 1.00 0.00 O ATOM 1192 CB GLN A 75 1.247 12.668 -5.941 1.00 0.00 C ATOM 1193 CG GLN A 75 2.568 13.363 -5.741 1.00 0.00 C ATOM 1194 CD GLN A 75 3.750 12.507 -6.152 1.00 0.00 C ATOM 1195 OE1 GLN A 75 3.651 11.683 -7.058 1.00 0.00 O ATOM 1196 NE2 GLN A 75 4.872 12.690 -5.486 1.00 0.00 N ATOM 0 H GLN A 75 0.395 12.590 -3.634 1.00 0.00 H new ATOM 0 HA GLN A 75 0.248 14.547 -5.671 1.00 0.00 H new ATOM 0 HB2 GLN A 75 1.256 11.724 -5.396 1.00 0.00 H new ATOM 0 HB3 GLN A 75 1.130 12.425 -6.997 1.00 0.00 H new ATOM 0 HG2 GLN A 75 2.577 14.288 -6.317 1.00 0.00 H new ATOM 0 HG3 GLN A 75 2.673 13.640 -4.692 1.00 0.00 H new ATOM 0 HE21 GLN A 75 4.915 13.384 -4.740 1.00 0.00 H new ATOM 0 HE22 GLN A 75 5.698 12.137 -5.717 1.00 0.00 H new ATOM 1205 N LEU A 76 -1.651 11.893 -6.064 1.00 0.00 N ATOM 1206 CA LEU A 76 -2.814 11.420 -6.787 1.00 0.00 C ATOM 1207 C LEU A 76 -4.119 11.875 -6.126 1.00 0.00 C ATOM 1208 O LEU A 76 -5.208 11.456 -6.525 1.00 0.00 O ATOM 1209 CB LEU A 76 -2.793 9.891 -6.990 1.00 0.00 C ATOM 1210 CG LEU A 76 -3.098 9.005 -5.772 1.00 0.00 C ATOM 1211 CD1 LEU A 76 -3.190 7.556 -6.198 1.00 0.00 C ATOM 1212 CD2 LEU A 76 -2.039 9.158 -4.699 1.00 0.00 C ATOM 0 H LEU A 76 -1.257 11.227 -5.399 1.00 0.00 H new ATOM 0 HA LEU A 76 -2.770 11.875 -7.776 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -3.513 9.646 -7.771 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -1.808 9.616 -7.367 1.00 0.00 H new ATOM 0 HG LEU A 76 -4.053 9.325 -5.354 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -3.406 6.934 -5.329 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -3.987 7.443 -6.933 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -2.243 7.246 -6.639 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -2.285 8.518 -3.852 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -1.068 8.870 -5.102 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -2.001 10.197 -4.370 1.00 0.00 H new ATOM 1224 N GLU A 77 -4.000 12.750 -5.113 1.00 0.00 N ATOM 1225 CA GLU A 77 -5.167 13.315 -4.406 1.00 0.00 C ATOM 1226 C GLU A 77 -6.038 12.211 -3.805 1.00 0.00 C ATOM 1227 O GLU A 77 -7.271 12.282 -3.819 1.00 0.00 O ATOM 1228 CB GLU A 77 -5.986 14.179 -5.360 1.00 0.00 C ATOM 1229 CG GLU A 77 -5.218 15.359 -5.921 1.00 0.00 C ATOM 1230 CD GLU A 77 -5.998 16.101 -6.970 1.00 0.00 C ATOM 1231 OE1 GLU A 77 -6.835 16.950 -6.604 1.00 0.00 O ATOM 1232 OE2 GLU A 77 -5.777 15.844 -8.172 1.00 0.00 O ATOM 0 H GLU A 77 -3.102 13.084 -4.762 1.00 0.00 H new ATOM 0 HA GLU A 77 -4.803 13.935 -3.587 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -6.339 13.560 -6.185 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -6.869 14.546 -4.837 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -4.963 16.042 -5.111 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -4.279 15.008 -6.350 1.00 0.00 H new ATOM 1239 N MET A 78 -5.382 11.209 -3.256 1.00 0.00 N ATOM 1240 CA MET A 78 -6.045 10.053 -2.677 1.00 0.00 C ATOM 1241 C MET A 78 -6.896 10.442 -1.479 1.00 0.00 C ATOM 1242 O MET A 78 -6.442 11.155 -0.579 1.00 0.00 O ATOM 1243 CB MET A 78 -5.006 9.027 -2.258 1.00 0.00 C ATOM 1244 CG MET A 78 -5.312 7.624 -2.716 1.00 0.00 C ATOM 1245 SD MET A 78 -3.888 6.542 -2.573 1.00 0.00 S ATOM 1246 CE MET A 78 -4.441 5.170 -3.565 1.00 0.00 C ATOM 0 H MET A 78 -4.364 11.172 -3.197 1.00 0.00 H new ATOM 0 HA MET A 78 -6.704 9.626 -3.433 1.00 0.00 H new ATOM 0 HB2 MET A 78 -4.035 9.325 -2.655 1.00 0.00 H new ATOM 0 HB3 MET A 78 -4.921 9.033 -1.171 1.00 0.00 H new ATOM 0 HG2 MET A 78 -6.134 7.221 -2.124 1.00 0.00 H new ATOM 0 HG3 MET A 78 -5.647 7.647 -3.753 1.00 0.00 H new ATOM 0 HE1 MET A 78 -3.590 4.539 -3.820 1.00 0.00 H new ATOM 0 HE2 MET A 78 -5.170 4.586 -3.004 1.00 0.00 H new ATOM 0 HE3 MET A 78 -4.902 5.544 -4.479 1.00 0.00 H new ATOM 1256 N GLU A 79 -8.137 9.991 -1.476 1.00 0.00 N ATOM 1257 CA GLU A 79 -9.060 10.257 -0.386 1.00 0.00 C ATOM 1258 C GLU A 79 -8.791 9.311 0.783 1.00 0.00 C ATOM 1259 O GLU A 79 -8.032 8.349 0.662 1.00 0.00 O ATOM 1260 CB GLU A 79 -10.491 10.057 -0.868 1.00 0.00 C ATOM 1261 CG GLU A 79 -10.876 10.906 -2.066 1.00 0.00 C ATOM 1262 CD GLU A 79 -12.214 10.501 -2.642 1.00 0.00 C ATOM 1263 OE1 GLU A 79 -13.243 10.666 -1.946 1.00 0.00 O ATOM 1264 OE2 GLU A 79 -12.245 9.990 -3.786 1.00 0.00 O ATOM 0 H GLU A 79 -8.534 9.430 -2.229 1.00 0.00 H new ATOM 0 HA GLU A 79 -8.919 11.286 -0.054 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -10.632 9.007 -1.123 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -11.172 10.280 -0.047 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -10.911 11.955 -1.771 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -10.109 10.817 -2.835 1.00 0.00 H new ATOM 1271 N ASP A 80 -9.415 9.577 1.918 1.00 0.00 N ATOM 1272 CA ASP A 80 -9.277 8.706 3.075 1.00 0.00 C ATOM 1273 C ASP A 80 -10.162 7.491 2.916 1.00 0.00 C ATOM 1274 O ASP A 80 -11.240 7.567 2.323 1.00 0.00 O ATOM 1275 CB ASP A 80 -9.627 9.432 4.380 1.00 0.00 C ATOM 1276 CG ASP A 80 -11.043 9.971 4.395 1.00 0.00 C ATOM 1277 OD1 ASP A 80 -11.264 11.081 3.876 1.00 0.00 O ATOM 1278 OD2 ASP A 80 -11.939 9.293 4.933 1.00 0.00 O ATOM 0 H ASP A 80 -10.020 10.385 2.064 1.00 0.00 H new ATOM 0 HA ASP A 80 -8.233 8.398 3.132 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -9.496 8.747 5.217 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -8.929 10.256 4.530 1.00 0.00 H new ATOM 1283 N GLU A 81 -9.687 6.358 3.416 1.00 0.00 N ATOM 1284 CA GLU A 81 -10.410 5.091 3.366 1.00 0.00 C ATOM 1285 C GLU A 81 -10.556 4.605 1.936 1.00 0.00 C ATOM 1286 O GLU A 81 -11.405 3.772 1.629 1.00 0.00 O ATOM 1287 CB GLU A 81 -11.770 5.196 4.054 1.00 0.00 C ATOM 1288 CG GLU A 81 -11.691 5.699 5.481 1.00 0.00 C ATOM 1289 CD GLU A 81 -12.938 5.393 6.265 1.00 0.00 C ATOM 1290 OE1 GLU A 81 -13.048 4.267 6.794 1.00 0.00 O ATOM 1291 OE2 GLU A 81 -13.816 6.270 6.353 1.00 0.00 O ATOM 0 H GLU A 81 -8.778 6.291 3.874 1.00 0.00 H new ATOM 0 HA GLU A 81 -9.823 4.354 3.913 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -12.409 5.864 3.477 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -12.247 4.216 4.049 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -10.833 5.245 5.977 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -11.523 6.776 5.475 1.00 0.00 H new ATOM 1298 N ASP A 82 -9.704 5.117 1.062 1.00 0.00 N ATOM 1299 CA ASP A 82 -9.715 4.730 -0.337 1.00 0.00 C ATOM 1300 C ASP A 82 -9.083 3.349 -0.504 1.00 0.00 C ATOM 1301 O ASP A 82 -8.360 2.880 0.376 1.00 0.00 O ATOM 1302 CB ASP A 82 -8.992 5.781 -1.179 1.00 0.00 C ATOM 1303 CG ASP A 82 -8.975 5.451 -2.650 1.00 0.00 C ATOM 1304 OD1 ASP A 82 -10.064 5.135 -3.215 1.00 0.00 O ATOM 1305 OD2 ASP A 82 -7.895 5.486 -3.243 1.00 0.00 O ATOM 0 H ASP A 82 -8.992 5.807 1.301 1.00 0.00 H new ATOM 0 HA ASP A 82 -10.746 4.672 -0.687 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -9.474 6.748 -1.035 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -7.967 5.880 -0.823 1.00 0.00 H new ATOM 1310 N THR A 83 -9.346 2.695 -1.622 1.00 0.00 N ATOM 1311 CA THR A 83 -8.865 1.348 -1.834 1.00 0.00 C ATOM 1312 C THR A 83 -7.979 1.233 -3.085 1.00 0.00 C ATOM 1313 O THR A 83 -8.301 1.753 -4.156 1.00 0.00 O ATOM 1314 CB THR A 83 -10.041 0.355 -1.933 1.00 0.00 C ATOM 1315 OG1 THR A 83 -10.896 0.506 -0.791 1.00 0.00 O ATOM 1316 CG2 THR A 83 -9.541 -1.076 -1.990 1.00 0.00 C ATOM 0 H THR A 83 -9.890 3.078 -2.395 1.00 0.00 H new ATOM 0 HA THR A 83 -8.251 1.096 -0.969 1.00 0.00 H new ATOM 0 HB THR A 83 -10.593 0.571 -2.848 1.00 0.00 H new ATOM 0 HG1 THR A 83 -11.644 -0.124 -0.856 1.00 0.00 H new ATOM 0 HG21 THR A 83 -10.390 -1.756 -2.059 1.00 0.00 H new ATOM 0 HG22 THR A 83 -8.902 -1.204 -2.864 1.00 0.00 H new ATOM 0 HG23 THR A 83 -8.971 -1.299 -1.088 1.00 0.00 H new ATOM 1324 N ILE A 84 -6.867 0.529 -2.935 1.00 0.00 N ATOM 1325 CA ILE A 84 -5.928 0.300 -4.020 1.00 0.00 C ATOM 1326 C ILE A 84 -6.177 -1.077 -4.613 1.00 0.00 C ATOM 1327 O ILE A 84 -6.392 -2.043 -3.882 1.00 0.00 O ATOM 1328 CB ILE A 84 -4.444 0.383 -3.551 1.00 0.00 C ATOM 1329 CG1 ILE A 84 -4.062 1.800 -3.111 1.00 0.00 C ATOM 1330 CG2 ILE A 84 -3.500 -0.096 -4.642 1.00 0.00 C ATOM 1331 CD1 ILE A 84 -4.548 2.177 -1.730 1.00 0.00 C ATOM 0 H ILE A 84 -6.590 0.099 -2.052 1.00 0.00 H new ATOM 0 HA ILE A 84 -6.088 1.083 -4.761 1.00 0.00 H new ATOM 0 HB ILE A 84 -4.347 -0.274 -2.687 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -2.977 1.896 -3.140 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -4.464 2.512 -3.832 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -2.471 -0.028 -4.289 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -3.730 -1.132 -4.893 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -3.622 0.527 -5.528 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -4.234 3.195 -1.499 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -5.636 2.117 -1.698 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -4.125 1.491 -0.996 1.00 0.00 H new ATOM 1343 N ASP A 85 -6.140 -1.173 -5.928 1.00 0.00 N ATOM 1344 CA ASP A 85 -6.382 -2.430 -6.613 1.00 0.00 C ATOM 1345 C ASP A 85 -5.078 -3.156 -6.886 1.00 0.00 C ATOM 1346 O ASP A 85 -4.204 -2.656 -7.594 1.00 0.00 O ATOM 1347 CB ASP A 85 -7.134 -2.189 -7.924 1.00 0.00 C ATOM 1348 CG ASP A 85 -8.510 -1.617 -7.700 1.00 0.00 C ATOM 1349 OD1 ASP A 85 -9.395 -2.365 -7.244 1.00 0.00 O ATOM 1350 OD2 ASP A 85 -8.714 -0.413 -7.978 1.00 0.00 O ATOM 0 H ASP A 85 -5.943 -0.388 -6.549 1.00 0.00 H new ATOM 0 HA ASP A 85 -6.996 -3.055 -5.965 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -6.558 -1.508 -8.550 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -7.219 -3.129 -8.469 1.00 0.00 H new ATOM 1355 N VAL A 86 -4.926 -4.327 -6.306 1.00 0.00 N ATOM 1356 CA VAL A 86 -3.726 -5.114 -6.511 1.00 0.00 C ATOM 1357 C VAL A 86 -3.980 -6.300 -7.430 1.00 0.00 C ATOM 1358 O VAL A 86 -4.961 -7.042 -7.272 1.00 0.00 O ATOM 1359 CB VAL A 86 -3.130 -5.605 -5.168 1.00 0.00 C ATOM 1360 CG1 VAL A 86 -2.072 -6.674 -5.395 1.00 0.00 C ATOM 1361 CG2 VAL A 86 -2.540 -4.439 -4.410 1.00 0.00 C ATOM 0 H VAL A 86 -5.616 -4.756 -5.689 1.00 0.00 H new ATOM 0 HA VAL A 86 -3.001 -4.457 -6.991 1.00 0.00 H new ATOM 0 HB VAL A 86 -3.933 -6.047 -4.579 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -1.672 -6.999 -4.435 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -2.519 -7.525 -5.909 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -1.266 -6.265 -6.004 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -2.123 -4.792 -3.467 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -1.752 -3.979 -5.006 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -3.319 -3.704 -4.210 1.00 0.00 H new ATOM 1371 N PHE A 87 -3.074 -6.501 -8.369 1.00 0.00 N ATOM 1372 CA PHE A 87 -3.185 -7.578 -9.338 1.00 0.00 C ATOM 1373 C PHE A 87 -1.863 -8.313 -9.410 1.00 0.00 C ATOM 1374 O PHE A 87 -0.828 -7.778 -9.000 1.00 0.00 O ATOM 1375 CB PHE A 87 -3.539 -7.022 -10.726 1.00 0.00 C ATOM 1376 CG PHE A 87 -4.751 -6.137 -10.740 1.00 0.00 C ATOM 1377 CD1 PHE A 87 -4.631 -4.780 -10.503 1.00 0.00 C ATOM 1378 CD2 PHE A 87 -6.010 -6.662 -10.985 1.00 0.00 C ATOM 1379 CE1 PHE A 87 -5.736 -3.963 -10.509 1.00 0.00 C ATOM 1380 CE2 PHE A 87 -7.124 -5.846 -10.994 1.00 0.00 C ATOM 1381 CZ PHE A 87 -6.987 -4.494 -10.753 1.00 0.00 C ATOM 0 H PHE A 87 -2.241 -5.923 -8.482 1.00 0.00 H new ATOM 0 HA PHE A 87 -3.977 -8.258 -9.025 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -2.687 -6.460 -11.109 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -3.703 -7.856 -11.409 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -3.656 -4.357 -10.311 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -6.121 -7.720 -11.171 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -5.626 -2.905 -10.323 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -8.100 -6.265 -11.189 1.00 0.00 H new ATOM 0 HZ PHE A 87 -7.856 -3.853 -10.755 1.00 0.00 H new ATOM 1391 N GLN A 88 -1.872 -9.535 -9.904 1.00 0.00 N ATOM 1392 CA GLN A 88 -0.643 -10.288 -10.053 1.00 0.00 C ATOM 1393 C GLN A 88 -0.175 -10.264 -11.503 1.00 0.00 C ATOM 1394 O GLN A 88 -0.808 -10.841 -12.385 1.00 0.00 O ATOM 1395 CB GLN A 88 -0.821 -11.738 -9.584 1.00 0.00 C ATOM 1396 CG GLN A 88 -0.598 -11.969 -8.094 1.00 0.00 C ATOM 1397 CD GLN A 88 -1.637 -11.304 -7.200 1.00 0.00 C ATOM 1398 OE1 GLN A 88 -2.681 -11.879 -6.909 1.00 0.00 O ATOM 1399 NE2 GLN A 88 -1.349 -10.103 -6.738 1.00 0.00 N ATOM 0 H GLN A 88 -2.713 -10.026 -10.208 1.00 0.00 H new ATOM 0 HA GLN A 88 0.114 -9.816 -9.427 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -1.829 -12.065 -9.839 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -0.130 -12.371 -10.141 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -0.599 -13.041 -7.899 1.00 0.00 H new ATOM 0 HG3 GLN A 88 0.390 -11.597 -7.823 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -0.472 -9.653 -7.000 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -2.003 -9.624 -6.119 1.00 0.00 H new