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= 0.358 K(o=-0.14,f=-1.9) USER MOD Set 1.2: A 88 GLN : amide:sc= -0.499 K(o=-0.14,f=-1.9) USER MOD Single : A 17 HIS : no HD1:sc= -0.0107 X(o=-0.011,f=0) USER MOD Single : A 19 ASN : amide:sc= -0.362 K(o=-0.36,f=-3.4!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -2.89! K(o=-2.9!,f=-0.79) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 HIS : no HD1:sc= -0.0411 X(o=-0.041,f=-0.029) USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.863 USER MOD Single : A 41 SER OG : rot 124:sc= 0.347 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 MET CE :methyl -158:sc= -0.286 (180deg=-1.45) USER MOD Single : A 45 LYS NZ :NH3+ 164:sc= 0.0267 (180deg=0.000288) USER MOD Single : A 47 TYR OH : rot 10:sc= 1.23 USER MOD Single : A 48 CYS SG : rot -39:sc= -1.97! USER MOD Single : A 51 GLN : amide:sc= -4.1 K(o=-4.1,f=-5.9!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 MET CE :methyl -117:sc= -2.83! (180deg=-8.4!) USER MOD Single : A 57 GLN : amide:sc= -7! K(o=-7!,f=-1.1) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 68 ASN : amide:sc= -4.65! C(o=-4.7!,f=-2.3!) USER MOD Single : A 70 THR OG1 : rot -32:sc= 0.85 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= -0.682 K(o=-0.68,f=0) USER MOD Single : A 78 MET CE :methyl -161:sc= -1.07 (180deg=-1.53) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 242 N HIS A 17 -3.296 13.099 7.742 1.00 0.00 N ATOM 243 CA HIS A 17 -3.080 11.686 7.506 1.00 0.00 C ATOM 244 C HIS A 17 -4.388 11.049 7.065 1.00 0.00 C ATOM 245 O HIS A 17 -5.456 11.432 7.534 1.00 0.00 O ATOM 246 CB HIS A 17 -2.539 10.991 8.779 1.00 0.00 C ATOM 247 CG HIS A 17 -3.577 10.718 9.839 1.00 0.00 C ATOM 248 ND1 HIS A 17 -3.923 11.627 10.815 1.00 0.00 N ATOM 249 CD2 HIS A 17 -4.352 9.625 10.055 1.00 0.00 C ATOM 250 CE1 HIS A 17 -4.864 11.106 11.582 1.00 0.00 C ATOM 251 NE2 HIS A 17 -5.140 9.897 11.141 1.00 0.00 N ATOM 0 HA HIS A 17 -2.334 11.565 6.720 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -2.076 10.047 8.492 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -1.754 11.613 9.210 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -4.348 8.712 9.478 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -5.328 11.590 12.428 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -5.831 9.264 11.544 1.00 0.00 H new ATOM 260 N ILE A 18 -4.321 10.095 6.167 1.00 0.00 N ATOM 261 CA ILE A 18 -5.518 9.427 5.690 1.00 0.00 C ATOM 262 C ILE A 18 -5.345 7.914 5.744 1.00 0.00 C ATOM 263 O ILE A 18 -4.229 7.405 5.897 1.00 0.00 O ATOM 264 CB ILE A 18 -5.882 9.855 4.245 1.00 0.00 C ATOM 265 CG1 ILE A 18 -4.700 9.627 3.300 1.00 0.00 C ATOM 266 CG2 ILE A 18 -6.323 11.315 4.213 1.00 0.00 C ATOM 267 CD1 ILE A 18 -5.008 9.925 1.848 1.00 0.00 C ATOM 0 H ILE A 18 -3.452 9.761 5.749 1.00 0.00 H new ATOM 0 HA ILE A 18 -6.334 9.725 6.349 1.00 0.00 H new ATOM 0 HB ILE A 18 -6.714 9.238 3.905 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -3.866 10.252 3.620 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -4.373 8.591 3.386 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -6.574 11.597 3.190 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -7.197 11.445 4.851 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -5.513 11.948 4.575 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -4.121 9.739 1.242 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -5.820 9.282 1.509 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -5.305 10.969 1.746 1.00 0.00 H new ATOM 279 N ASN A 19 -6.440 7.192 5.632 1.00 0.00 N ATOM 280 CA ASN A 19 -6.390 5.742 5.675 1.00 0.00 C ATOM 281 C ASN A 19 -6.504 5.183 4.276 1.00 0.00 C ATOM 282 O ASN A 19 -7.486 5.431 3.578 1.00 0.00 O ATOM 283 CB ASN A 19 -7.522 5.164 6.541 1.00 0.00 C ATOM 284 CG ASN A 19 -8.044 6.142 7.570 1.00 0.00 C ATOM 285 OD1 ASN A 19 -7.498 6.274 8.660 1.00 0.00 O ATOM 286 ND2 ASN A 19 -9.126 6.809 7.242 1.00 0.00 N ATOM 0 H ASN A 19 -7.375 7.582 5.511 1.00 0.00 H new ATOM 0 HA ASN A 19 -5.436 5.456 6.118 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -8.343 4.854 5.895 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -7.161 4.270 7.049 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -9.541 7.464 7.904 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -9.551 6.672 6.325 1.00 0.00 H new ATOM 293 N LEU A 20 -5.505 4.445 3.856 1.00 0.00 N ATOM 294 CA LEU A 20 -5.519 3.829 2.546 1.00 0.00 C ATOM 295 C LEU A 20 -5.626 2.332 2.705 1.00 0.00 C ATOM 296 O LEU A 20 -4.817 1.709 3.393 1.00 0.00 O ATOM 297 CB LEU A 20 -4.253 4.176 1.740 1.00 0.00 C ATOM 298 CG LEU A 20 -4.036 5.656 1.389 1.00 0.00 C ATOM 299 CD1 LEU A 20 -5.331 6.305 0.928 1.00 0.00 C ATOM 300 CD2 LEU A 20 -3.429 6.412 2.558 1.00 0.00 C ATOM 0 H LEU A 20 -4.666 4.254 4.404 1.00 0.00 H new ATOM 0 HA LEU A 20 -6.378 4.214 1.996 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.387 3.831 2.304 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.276 3.607 0.811 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.329 5.702 0.561 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.147 7.352 0.686 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -5.702 5.788 0.043 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -6.073 6.241 1.724 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -3.287 7.457 2.281 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -4.098 6.352 3.417 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.466 5.971 2.816 1.00 0.00 H new ATOM 312 N LYS A 21 -6.613 1.747 2.090 1.00 0.00 N ATOM 313 CA LYS A 21 -6.804 0.325 2.183 1.00 0.00 C ATOM 314 C LYS A 21 -6.376 -0.352 0.909 1.00 0.00 C ATOM 315 O LYS A 21 -6.593 0.156 -0.175 1.00 0.00 O ATOM 316 CB LYS A 21 -8.256 0.000 2.513 1.00 0.00 C ATOM 317 CG LYS A 21 -8.613 -1.471 2.374 1.00 0.00 C ATOM 318 CD LYS A 21 -9.929 -1.777 3.048 1.00 0.00 C ATOM 319 CE LYS A 21 -11.042 -0.877 2.519 1.00 0.00 C ATOM 320 NZ LYS A 21 -12.366 -1.203 3.107 1.00 0.00 N ATOM 0 H LYS A 21 -7.302 2.233 1.516 1.00 0.00 H new ATOM 0 HA LYS A 21 -6.180 -0.055 2.992 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -8.464 0.318 3.535 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -8.905 0.583 1.859 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -8.671 -1.736 1.318 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -7.825 -2.083 2.813 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -10.192 -2.822 2.881 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -9.829 -1.642 4.125 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -10.798 0.163 2.736 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -11.097 -0.972 1.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -13.087 -0.564 2.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -12.615 -2.187 2.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -12.325 -1.087 4.140 1.00 0.00 H new ATOM 334 N VAL A 22 -5.778 -1.502 1.035 1.00 0.00 N ATOM 335 CA VAL A 22 -5.287 -2.224 -0.106 1.00 0.00 C ATOM 336 C VAL A 22 -6.065 -3.511 -0.282 1.00 0.00 C ATOM 337 O VAL A 22 -6.184 -4.309 0.644 1.00 0.00 O ATOM 338 CB VAL A 22 -3.783 -2.543 0.029 1.00 0.00 C ATOM 339 CG1 VAL A 22 -3.273 -3.208 -1.228 1.00 0.00 C ATOM 340 CG2 VAL A 22 -2.993 -1.279 0.321 1.00 0.00 C ATOM 0 H VAL A 22 -5.617 -1.966 1.929 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.423 -1.590 -0.982 1.00 0.00 H new ATOM 0 HB VAL A 22 -3.649 -3.230 0.864 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -2.211 -3.427 -1.118 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.820 -4.136 -1.396 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.420 -2.541 -2.078 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.935 -1.524 0.413 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.131 -0.567 -0.493 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.345 -0.837 1.253 1.00 0.00 H new ATOM 350 N ALA A 23 -6.577 -3.720 -1.474 1.00 0.00 N ATOM 351 CA ALA A 23 -7.378 -4.889 -1.771 1.00 0.00 C ATOM 352 C ALA A 23 -6.909 -5.527 -3.049 1.00 0.00 C ATOM 353 O ALA A 23 -6.859 -4.892 -4.106 1.00 0.00 O ATOM 354 CB ALA A 23 -8.851 -4.530 -1.857 1.00 0.00 C ATOM 0 H ALA A 23 -6.451 -3.087 -2.264 1.00 0.00 H new ATOM 0 HA ALA A 23 -7.257 -5.606 -0.959 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -9.431 -5.425 -2.081 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -9.180 -4.113 -0.905 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -9.001 -3.794 -2.647 1.00 0.00 H new ATOM 360 N GLY A 24 -6.561 -6.777 -2.967 1.00 0.00 N ATOM 361 CA GLY A 24 -6.069 -7.472 -4.124 1.00 0.00 C ATOM 362 C GLY A 24 -7.081 -8.426 -4.677 1.00 0.00 C ATOM 363 O GLY A 24 -7.871 -9.000 -3.930 1.00 0.00 O ATOM 0 H GLY A 24 -6.608 -7.336 -2.115 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -5.795 -6.749 -4.892 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -5.162 -8.017 -3.861 1.00 0.00 H new ATOM 367 N GLN A 25 -7.059 -8.624 -5.994 1.00 0.00 N ATOM 368 CA GLN A 25 -7.994 -9.539 -6.652 1.00 0.00 C ATOM 369 C GLN A 25 -7.831 -10.993 -6.181 1.00 0.00 C ATOM 370 O GLN A 25 -8.619 -11.865 -6.527 1.00 0.00 O ATOM 371 CB GLN A 25 -7.901 -9.447 -8.193 1.00 0.00 C ATOM 372 CG GLN A 25 -6.485 -9.391 -8.791 1.00 0.00 C ATOM 373 CD GLN A 25 -5.556 -10.481 -8.292 1.00 0.00 C ATOM 374 OE1 GLN A 25 -5.566 -11.600 -8.793 1.00 0.00 O ATOM 375 NE2 GLN A 25 -4.704 -10.142 -7.339 1.00 0.00 N ATOM 0 H GLN A 25 -6.405 -8.164 -6.627 1.00 0.00 H new ATOM 0 HA GLN A 25 -8.991 -9.215 -6.354 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -8.418 -10.307 -8.618 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -8.443 -8.558 -8.515 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -6.558 -9.460 -9.876 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -6.044 -8.421 -8.562 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -4.726 -9.201 -6.946 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -4.025 -10.822 -6.997 1.00 0.00 H new ATOM 384 N ASP A 26 -6.805 -11.242 -5.388 1.00 0.00 N ATOM 385 CA ASP A 26 -6.549 -12.567 -4.853 1.00 0.00 C ATOM 386 C ASP A 26 -7.406 -12.800 -3.607 1.00 0.00 C ATOM 387 O ASP A 26 -7.531 -13.917 -3.115 1.00 0.00 O ATOM 388 CB ASP A 26 -5.059 -12.718 -4.518 1.00 0.00 C ATOM 389 CG ASP A 26 -4.671 -14.142 -4.175 1.00 0.00 C ATOM 390 OD1 ASP A 26 -4.708 -15.004 -5.073 1.00 0.00 O ATOM 391 OD2 ASP A 26 -4.306 -14.404 -3.014 1.00 0.00 O ATOM 0 H ASP A 26 -6.129 -10.536 -5.098 1.00 0.00 H new ATOM 0 HA ASP A 26 -6.813 -13.314 -5.602 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -4.465 -12.380 -5.367 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -4.813 -12.068 -3.678 1.00 0.00 H new ATOM 396 N GLY A 27 -8.028 -11.736 -3.121 1.00 0.00 N ATOM 397 CA GLY A 27 -8.866 -11.831 -1.932 1.00 0.00 C ATOM 398 C GLY A 27 -8.205 -11.229 -0.714 1.00 0.00 C ATOM 399 O GLY A 27 -8.847 -11.000 0.313 1.00 0.00 O ATOM 0 H GLY A 27 -7.970 -10.802 -3.527 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -9.813 -11.324 -2.116 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -9.098 -12.878 -1.736 1.00 0.00 H new ATOM 403 N SER A 28 -6.919 -10.970 -0.818 1.00 0.00 N ATOM 404 CA SER A 28 -6.167 -10.377 0.266 1.00 0.00 C ATOM 405 C SER A 28 -6.442 -8.877 0.356 1.00 0.00 C ATOM 406 O SER A 28 -6.207 -8.130 -0.598 1.00 0.00 O ATOM 407 CB SER A 28 -4.678 -10.630 0.060 1.00 0.00 C ATOM 408 OG SER A 28 -4.397 -12.017 0.060 1.00 0.00 O ATOM 0 H SER A 28 -6.367 -11.164 -1.654 1.00 0.00 H new ATOM 0 HA SER A 28 -6.481 -10.838 1.203 1.00 0.00 H new ATOM 0 HB2 SER A 28 -4.357 -10.190 -0.884 1.00 0.00 H new ATOM 0 HB3 SER A 28 -4.109 -10.140 0.850 1.00 0.00 H new ATOM 0 HG SER A 28 -3.436 -12.156 -0.075 1.00 0.00 H new ATOM 414 N VAL A 29 -6.971 -8.438 1.479 1.00 0.00 N ATOM 415 CA VAL A 29 -7.239 -7.032 1.681 1.00 0.00 C ATOM 416 C VAL A 29 -6.911 -6.600 3.121 1.00 0.00 C ATOM 417 O VAL A 29 -7.244 -7.287 4.096 1.00 0.00 O ATOM 418 CB VAL A 29 -8.701 -6.663 1.294 1.00 0.00 C ATOM 419 CG1 VAL A 29 -9.705 -7.557 1.982 1.00 0.00 C ATOM 420 CG2 VAL A 29 -8.995 -5.203 1.581 1.00 0.00 C ATOM 0 H VAL A 29 -7.224 -9.036 2.266 1.00 0.00 H new ATOM 0 HA VAL A 29 -6.580 -6.477 1.013 1.00 0.00 H new ATOM 0 HB VAL A 29 -8.798 -6.824 0.220 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -10.713 -7.267 1.686 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -9.526 -8.593 1.695 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -9.601 -7.457 3.062 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -10.024 -4.977 1.300 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -8.858 -5.006 2.644 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -8.315 -4.575 1.005 1.00 0.00 H new ATOM 430 N VAL A 30 -6.240 -5.457 3.240 1.00 0.00 N ATOM 431 CA VAL A 30 -5.793 -4.918 4.527 1.00 0.00 C ATOM 432 C VAL A 30 -5.919 -3.394 4.499 1.00 0.00 C ATOM 433 O VAL A 30 -5.790 -2.781 3.444 1.00 0.00 O ATOM 434 CB VAL A 30 -4.298 -5.293 4.821 1.00 0.00 C ATOM 435 CG1 VAL A 30 -3.844 -4.737 6.162 1.00 0.00 C ATOM 436 CG2 VAL A 30 -4.086 -6.798 4.783 1.00 0.00 C ATOM 0 H VAL A 30 -5.988 -4.873 2.442 1.00 0.00 H new ATOM 0 HA VAL A 30 -6.417 -5.348 5.310 1.00 0.00 H new ATOM 0 HB VAL A 30 -3.693 -4.840 4.035 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -2.804 -5.013 6.337 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.934 -3.651 6.155 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -4.467 -5.148 6.956 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -3.040 -7.023 4.991 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.716 -7.273 5.535 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.350 -7.178 3.796 1.00 0.00 H new ATOM 446 N GLN A 31 -6.170 -2.781 5.640 1.00 0.00 N ATOM 447 CA GLN A 31 -6.302 -1.339 5.705 1.00 0.00 C ATOM 448 C GLN A 31 -5.090 -0.725 6.397 1.00 0.00 C ATOM 449 O GLN A 31 -4.595 -1.256 7.390 1.00 0.00 O ATOM 450 CB GLN A 31 -7.592 -0.945 6.429 1.00 0.00 C ATOM 451 CG GLN A 31 -7.879 0.547 6.397 1.00 0.00 C ATOM 452 CD GLN A 31 -7.584 1.253 7.717 1.00 0.00 C ATOM 453 OE1 GLN A 31 -8.201 2.259 8.037 1.00 0.00 O ATOM 454 NE2 GLN A 31 -6.661 0.729 8.490 1.00 0.00 N ATOM 0 H GLN A 31 -6.286 -3.259 6.534 1.00 0.00 H new ATOM 0 HA GLN A 31 -6.352 -0.953 4.687 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -8.429 -1.477 5.977 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -7.530 -1.272 7.467 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -7.284 1.006 5.608 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -8.926 0.702 6.138 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -6.164 -0.111 8.194 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -6.441 1.162 9.387 1.00 0.00 H new ATOM 463 N PHE A 32 -4.620 0.398 5.884 1.00 0.00 N ATOM 464 CA PHE A 32 -3.451 1.073 6.445 1.00 0.00 C ATOM 465 C PHE A 32 -3.750 2.528 6.711 1.00 0.00 C ATOM 466 O PHE A 32 -4.722 3.083 6.205 1.00 0.00 O ATOM 467 CB PHE A 32 -2.233 0.943 5.508 1.00 0.00 C ATOM 468 CG PHE A 32 -1.922 -0.473 5.090 1.00 0.00 C ATOM 469 CD1 PHE A 32 -2.686 -1.096 4.121 1.00 0.00 C ATOM 470 CD2 PHE A 32 -0.869 -1.181 5.663 1.00 0.00 C ATOM 471 CE1 PHE A 32 -2.422 -2.383 3.730 1.00 0.00 C ATOM 472 CE2 PHE A 32 -0.600 -2.476 5.270 1.00 0.00 C ATOM 473 CZ PHE A 32 -1.379 -3.076 4.304 1.00 0.00 C ATOM 0 H PHE A 32 -5.028 0.868 5.076 1.00 0.00 H new ATOM 0 HA PHE A 32 -3.210 0.588 7.391 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.410 1.543 4.615 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -1.359 1.363 6.006 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -3.505 -0.560 3.664 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -0.258 -0.713 6.421 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -3.031 -2.853 2.972 1.00 0.00 H new ATOM 0 HE2 PHE A 32 0.219 -3.018 5.718 1.00 0.00 H new ATOM 0 HZ PHE A 32 -1.171 -4.090 3.997 1.00 0.00 H new ATOM 483 N LYS A 33 -2.913 3.146 7.505 1.00 0.00 N ATOM 484 CA LYS A 33 -3.098 4.512 7.888 1.00 0.00 C ATOM 485 C LYS A 33 -1.766 5.249 7.844 1.00 0.00 C ATOM 486 O LYS A 33 -0.873 4.979 8.642 1.00 0.00 O ATOM 487 CB LYS A 33 -3.686 4.547 9.292 1.00 0.00 C ATOM 488 CG LYS A 33 -4.441 5.802 9.582 1.00 0.00 C ATOM 489 CD LYS A 33 -5.284 5.689 10.853 1.00 0.00 C ATOM 490 CE LYS A 33 -4.473 5.220 12.060 1.00 0.00 C ATOM 491 NZ LYS A 33 -3.437 6.202 12.477 1.00 0.00 N ATOM 0 H LYS A 33 -2.082 2.709 7.903 1.00 0.00 H new ATOM 0 HA LYS A 33 -3.780 5.007 7.197 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -4.350 3.693 9.422 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -2.881 4.439 10.019 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -3.740 6.630 9.686 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.089 6.037 8.738 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -5.730 6.658 11.075 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -6.104 4.993 10.679 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -5.148 5.035 12.895 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -3.992 4.271 11.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -2.918 5.832 13.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -2.774 6.361 11.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -3.893 7.101 12.732 1.00 0.00 H new ATOM 505 N ILE A 34 -1.623 6.175 6.909 1.00 0.00 N ATOM 506 CA ILE A 34 -0.373 6.918 6.755 1.00 0.00 C ATOM 507 C ILE A 34 -0.640 8.397 6.535 1.00 0.00 C ATOM 508 O ILE A 34 -1.786 8.826 6.385 1.00 0.00 O ATOM 509 CB ILE A 34 0.495 6.385 5.581 1.00 0.00 C ATOM 510 CG1 ILE A 34 -0.283 6.430 4.265 1.00 0.00 C ATOM 511 CG2 ILE A 34 0.995 4.973 5.869 1.00 0.00 C ATOM 512 CD1 ILE A 34 0.545 6.067 3.051 1.00 0.00 C ATOM 0 H ILE A 34 -2.353 6.433 6.245 1.00 0.00 H new ATOM 0 HA ILE A 34 0.179 6.775 7.684 1.00 0.00 H new ATOM 0 HB ILE A 34 1.364 7.035 5.483 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.131 5.748 4.332 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -0.690 7.432 4.129 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.600 4.623 5.032 1.00 0.00 H new ATOM 0 HG22 ILE A 34 1.600 4.979 6.776 1.00 0.00 H new ATOM 0 HG23 ILE A 34 0.144 4.306 6.005 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.076 6.122 2.157 1.00 0.00 H new ATOM 0 HD12 ILE A 34 1.378 6.764 2.957 1.00 0.00 H new ATOM 0 HD13 ILE A 34 0.930 5.054 3.163 1.00 0.00 H new ATOM 524 N LYS A 35 0.414 9.176 6.520 1.00 0.00 N ATOM 525 CA LYS A 35 0.314 10.600 6.318 1.00 0.00 C ATOM 526 C LYS A 35 0.077 10.893 4.832 1.00 0.00 C ATOM 527 O LYS A 35 0.559 10.167 3.969 1.00 0.00 O ATOM 528 CB LYS A 35 1.598 11.265 6.817 1.00 0.00 C ATOM 529 CG LYS A 35 1.425 12.679 7.329 1.00 0.00 C ATOM 530 CD LYS A 35 1.507 13.709 6.225 1.00 0.00 C ATOM 531 CE LYS A 35 1.435 15.109 6.791 1.00 0.00 C ATOM 532 NZ LYS A 35 1.578 16.145 5.737 1.00 0.00 N ATOM 0 H LYS A 35 1.368 8.839 6.648 1.00 0.00 H new ATOM 0 HA LYS A 35 -0.528 11.004 6.880 1.00 0.00 H new ATOM 0 HB2 LYS A 35 2.020 10.654 7.615 1.00 0.00 H new ATOM 0 HB3 LYS A 35 2.325 11.274 6.005 1.00 0.00 H new ATOM 0 HG2 LYS A 35 0.461 12.765 7.831 1.00 0.00 H new ATOM 0 HG3 LYS A 35 2.192 12.888 8.075 1.00 0.00 H new ATOM 0 HD2 LYS A 35 2.438 13.583 5.672 1.00 0.00 H new ATOM 0 HD3 LYS A 35 0.692 13.556 5.517 1.00 0.00 H new ATOM 0 HE2 LYS A 35 0.483 15.244 7.304 1.00 0.00 H new ATOM 0 HE3 LYS A 35 2.220 15.239 7.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 1.523 17.089 6.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 2.497 16.034 5.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 0.814 16.038 5.039 1.00 0.00 H new ATOM 546 N ARG A 36 -0.657 11.965 4.538 1.00 0.00 N ATOM 547 CA ARG A 36 -1.005 12.325 3.156 1.00 0.00 C ATOM 548 C ARG A 36 0.237 12.590 2.279 1.00 0.00 C ATOM 549 O ARG A 36 0.161 12.556 1.059 1.00 0.00 O ATOM 550 CB ARG A 36 -1.956 13.538 3.141 1.00 0.00 C ATOM 551 CG ARG A 36 -2.374 13.996 1.746 1.00 0.00 C ATOM 552 CD ARG A 36 -3.371 15.143 1.803 1.00 0.00 C ATOM 553 NE ARG A 36 -4.695 14.705 2.258 1.00 0.00 N ATOM 554 CZ ARG A 36 -5.520 15.445 3.009 1.00 0.00 C ATOM 555 NH1 ARG A 36 -5.167 16.676 3.381 1.00 0.00 N ATOM 556 NH2 ARG A 36 -6.708 14.958 3.370 1.00 0.00 N ATOM 0 H ARG A 36 -1.026 12.606 5.240 1.00 0.00 H new ATOM 0 HA ARG A 36 -1.516 11.466 2.720 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.851 13.289 3.712 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -1.472 14.370 3.653 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -1.492 14.308 1.187 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -2.814 13.158 1.205 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -2.995 15.915 2.474 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -3.459 15.595 0.815 1.00 0.00 H new ATOM 0 HE ARG A 36 -5.008 13.774 1.984 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -4.266 17.057 3.093 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -5.798 17.237 3.953 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -6.987 14.023 3.074 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -7.337 15.521 3.942 1.00 0.00 H new ATOM 570 N HIS A 37 1.384 12.832 2.887 1.00 0.00 N ATOM 571 CA HIS A 37 2.591 13.076 2.107 1.00 0.00 C ATOM 572 C HIS A 37 3.588 11.932 2.297 1.00 0.00 C ATOM 573 O HIS A 37 4.716 11.974 1.805 1.00 0.00 O ATOM 574 CB HIS A 37 3.225 14.425 2.476 1.00 0.00 C ATOM 575 CG HIS A 37 4.204 14.933 1.446 1.00 0.00 C ATOM 576 ND1 HIS A 37 5.501 15.285 1.744 1.00 0.00 N ATOM 577 CD2 HIS A 37 4.055 15.153 0.117 1.00 0.00 C ATOM 578 CE1 HIS A 37 6.107 15.697 0.647 1.00 0.00 C ATOM 579 NE2 HIS A 37 5.254 15.626 -0.354 1.00 0.00 N ATOM 0 H HIS A 37 1.509 12.865 3.899 1.00 0.00 H new ATOM 0 HA HIS A 37 2.314 13.119 1.054 1.00 0.00 H new ATOM 0 HB2 HIS A 37 2.435 15.164 2.610 1.00 0.00 H new ATOM 0 HB3 HIS A 37 3.736 14.327 3.434 1.00 0.00 H new ATOM 0 HD2 HIS A 37 3.159 14.987 -0.463 1.00 0.00 H new ATOM 0 HE1 HIS A 37 7.130 16.036 0.581 1.00 0.00 H new ATOM 0 HE2 HIS A 37 5.452 15.881 -1.322 1.00 0.00 H new ATOM 588 N THR A 38 3.165 10.912 3.014 1.00 0.00 N ATOM 589 CA THR A 38 3.979 9.745 3.254 1.00 0.00 C ATOM 590 C THR A 38 3.881 8.775 2.069 1.00 0.00 C ATOM 591 O THR A 38 2.794 8.512 1.572 1.00 0.00 O ATOM 592 CB THR A 38 3.544 9.052 4.569 1.00 0.00 C ATOM 593 OG1 THR A 38 4.017 9.813 5.688 1.00 0.00 O ATOM 594 CG2 THR A 38 4.065 7.627 4.660 1.00 0.00 C ATOM 0 H THR A 38 2.243 10.872 3.447 1.00 0.00 H new ATOM 0 HA THR A 38 5.019 10.055 3.356 1.00 0.00 H new ATOM 0 HB THR A 38 2.455 9.005 4.579 1.00 0.00 H new ATOM 0 HG1 THR A 38 3.741 9.376 6.521 1.00 0.00 H new ATOM 0 HG21 THR A 38 3.737 7.179 5.598 1.00 0.00 H new ATOM 0 HG22 THR A 38 3.678 7.044 3.824 1.00 0.00 H new ATOM 0 HG23 THR A 38 5.154 7.635 4.624 1.00 0.00 H new ATOM 602 N PRO A 39 5.026 8.249 1.597 1.00 0.00 N ATOM 603 CA PRO A 39 5.066 7.347 0.440 1.00 0.00 C ATOM 604 C PRO A 39 4.293 6.051 0.666 1.00 0.00 C ATOM 605 O PRO A 39 4.340 5.453 1.753 1.00 0.00 O ATOM 606 CB PRO A 39 6.561 7.061 0.249 1.00 0.00 C ATOM 607 CG PRO A 39 7.188 7.383 1.564 1.00 0.00 C ATOM 608 CD PRO A 39 6.364 8.484 2.160 1.00 0.00 C ATOM 0 HA PRO A 39 4.593 7.799 -0.432 1.00 0.00 H new ATOM 0 HB2 PRO A 39 6.732 6.020 -0.025 1.00 0.00 H new ATOM 0 HB3 PRO A 39 6.981 7.673 -0.549 1.00 0.00 H new ATOM 0 HG2 PRO A 39 7.199 6.509 2.215 1.00 0.00 H new ATOM 0 HG3 PRO A 39 8.224 7.698 1.435 1.00 0.00 H new ATOM 0 HD2 PRO A 39 6.356 8.436 3.249 1.00 0.00 H new ATOM 0 HD3 PRO A 39 6.748 9.467 1.887 1.00 0.00 H new ATOM 616 N LEU A 40 3.594 5.604 -0.372 1.00 0.00 N ATOM 617 CA LEU A 40 2.791 4.392 -0.314 1.00 0.00 C ATOM 618 C LEU A 40 3.650 3.154 -0.109 1.00 0.00 C ATOM 619 O LEU A 40 3.142 2.099 0.249 1.00 0.00 O ATOM 620 CB LEU A 40 1.942 4.229 -1.578 1.00 0.00 C ATOM 621 CG LEU A 40 0.941 5.354 -1.874 1.00 0.00 C ATOM 622 CD1 LEU A 40 0.038 4.966 -3.024 1.00 0.00 C ATOM 623 CD2 LEU A 40 0.115 5.690 -0.641 1.00 0.00 C ATOM 0 H LEU A 40 3.570 6.074 -1.277 1.00 0.00 H new ATOM 0 HA LEU A 40 2.129 4.495 0.546 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.613 4.135 -2.431 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.391 3.292 -1.501 1.00 0.00 H new ATOM 0 HG LEU A 40 1.505 6.243 -2.155 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.666 5.774 -3.222 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.640 4.783 -3.914 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.511 4.061 -2.766 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.586 6.490 -0.879 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.438 4.807 -0.322 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.776 6.014 0.163 1.00 0.00 H new ATOM 635 N SER A 41 4.962 3.285 -0.335 1.00 0.00 N ATOM 636 CA SER A 41 5.902 2.169 -0.200 1.00 0.00 C ATOM 637 C SER A 41 5.711 1.443 1.125 1.00 0.00 C ATOM 638 O SER A 41 5.755 0.220 1.180 1.00 0.00 O ATOM 639 CB SER A 41 7.350 2.680 -0.308 1.00 0.00 C ATOM 640 OG SER A 41 8.287 1.610 -0.342 1.00 0.00 O ATOM 0 H SER A 41 5.399 4.163 -0.615 1.00 0.00 H new ATOM 0 HA SER A 41 5.704 1.465 -1.008 1.00 0.00 H new ATOM 0 HB2 SER A 41 7.456 3.284 -1.209 1.00 0.00 H new ATOM 0 HB3 SER A 41 7.570 3.329 0.539 1.00 0.00 H new ATOM 0 HG SER A 41 8.838 1.683 -1.149 1.00 0.00 H new ATOM 646 N LYS A 42 5.465 2.195 2.190 1.00 0.00 N ATOM 647 CA LYS A 42 5.279 1.608 3.508 1.00 0.00 C ATOM 648 C LYS A 42 4.131 0.611 3.529 1.00 0.00 C ATOM 649 O LYS A 42 4.309 -0.528 3.933 1.00 0.00 O ATOM 650 CB LYS A 42 5.072 2.699 4.552 1.00 0.00 C ATOM 651 CG LYS A 42 6.319 3.555 4.822 1.00 0.00 C ATOM 652 CD LYS A 42 7.446 2.736 5.472 1.00 0.00 C ATOM 653 CE LYS A 42 8.418 2.135 4.444 1.00 0.00 C ATOM 654 NZ LYS A 42 9.370 3.144 3.912 1.00 0.00 N ATOM 0 H LYS A 42 5.390 3.212 2.166 1.00 0.00 H new ATOM 0 HA LYS A 42 6.186 1.057 3.754 1.00 0.00 H new ATOM 0 HB2 LYS A 42 4.261 3.350 4.225 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.753 2.237 5.486 1.00 0.00 H new ATOM 0 HG2 LYS A 42 6.675 3.983 3.885 1.00 0.00 H new ATOM 0 HG3 LYS A 42 6.054 4.388 5.473 1.00 0.00 H new ATOM 0 HD2 LYS A 42 8.001 3.374 6.160 1.00 0.00 H new ATOM 0 HD3 LYS A 42 7.009 1.932 6.064 1.00 0.00 H new ATOM 0 HE2 LYS A 42 8.976 1.321 4.907 1.00 0.00 H new ATOM 0 HE3 LYS A 42 7.850 1.704 3.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 10.005 2.693 3.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 8.841 3.909 3.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 9.931 3.538 4.694 1.00 0.00 H new ATOM 668 N LEU A 43 2.960 1.015 3.065 1.00 0.00 N ATOM 669 CA LEU A 43 1.821 0.110 3.049 1.00 0.00 C ATOM 670 C LEU A 43 1.961 -0.916 1.944 1.00 0.00 C ATOM 671 O LEU A 43 1.511 -2.046 2.071 1.00 0.00 O ATOM 672 CB LEU A 43 0.479 0.869 2.943 1.00 0.00 C ATOM 673 CG LEU A 43 0.245 1.767 1.707 1.00 0.00 C ATOM 674 CD1 LEU A 43 -0.070 0.952 0.458 1.00 0.00 C ATOM 675 CD2 LEU A 43 -0.883 2.722 1.991 1.00 0.00 C ATOM 0 H LEU A 43 2.773 1.949 2.699 1.00 0.00 H new ATOM 0 HA LEU A 43 1.813 -0.418 4.003 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.324 0.133 2.977 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.377 1.492 3.832 1.00 0.00 H new ATOM 0 HG LEU A 43 1.166 2.317 1.514 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.227 1.625 -0.385 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.763 0.284 0.239 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.972 0.363 0.625 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.050 3.357 1.121 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.790 2.159 2.209 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.626 3.343 2.849 1.00 0.00 H new ATOM 687 N MET A 44 2.594 -0.510 0.857 1.00 0.00 N ATOM 688 CA MET A 44 2.774 -1.364 -0.296 1.00 0.00 C ATOM 689 C MET A 44 3.598 -2.593 0.070 1.00 0.00 C ATOM 690 O MET A 44 3.188 -3.730 -0.172 1.00 0.00 O ATOM 691 CB MET A 44 3.439 -0.572 -1.419 1.00 0.00 C ATOM 692 CG MET A 44 3.255 -1.181 -2.786 1.00 0.00 C ATOM 693 SD MET A 44 3.927 -0.155 -4.108 1.00 0.00 S ATOM 694 CE MET A 44 2.852 1.279 -4.004 1.00 0.00 C ATOM 0 H MET A 44 2.996 0.421 0.752 1.00 0.00 H new ATOM 0 HA MET A 44 1.800 -1.711 -0.641 1.00 0.00 H new ATOM 0 HB2 MET A 44 3.035 0.440 -1.425 1.00 0.00 H new ATOM 0 HB3 MET A 44 4.505 -0.488 -1.210 1.00 0.00 H new ATOM 0 HG2 MET A 44 3.737 -2.158 -2.811 1.00 0.00 H new ATOM 0 HG3 MET A 44 2.192 -1.345 -2.965 1.00 0.00 H new ATOM 0 HE1 MET A 44 2.863 1.812 -4.955 1.00 0.00 H new ATOM 0 HE2 MET A 44 1.835 0.956 -3.781 1.00 0.00 H new ATOM 0 HE3 MET A 44 3.204 1.941 -3.213 1.00 0.00 H new ATOM 704 N LYS A 45 4.750 -2.368 0.680 1.00 0.00 N ATOM 705 CA LYS A 45 5.608 -3.456 1.118 1.00 0.00 C ATOM 706 C LYS A 45 4.950 -4.209 2.270 1.00 0.00 C ATOM 707 O LYS A 45 4.936 -5.433 2.297 1.00 0.00 O ATOM 708 CB LYS A 45 6.964 -2.919 1.575 1.00 0.00 C ATOM 709 CG LYS A 45 7.676 -2.060 0.551 1.00 0.00 C ATOM 710 CD LYS A 45 8.466 -2.895 -0.430 1.00 0.00 C ATOM 711 CE LYS A 45 9.121 -2.017 -1.473 1.00 0.00 C ATOM 712 NZ LYS A 45 10.206 -2.718 -2.188 1.00 0.00 N ATOM 0 H LYS A 45 5.114 -1.437 0.884 1.00 0.00 H new ATOM 0 HA LYS A 45 5.758 -4.133 0.277 1.00 0.00 H new ATOM 0 HB2 LYS A 45 6.822 -2.335 2.485 1.00 0.00 H new ATOM 0 HB3 LYS A 45 7.606 -3.761 1.834 1.00 0.00 H new ATOM 0 HG2 LYS A 45 6.946 -1.458 0.010 1.00 0.00 H new ATOM 0 HG3 LYS A 45 8.346 -1.367 1.060 1.00 0.00 H new ATOM 0 HD2 LYS A 45 9.227 -3.467 0.101 1.00 0.00 H new ATOM 0 HD3 LYS A 45 7.807 -3.615 -0.915 1.00 0.00 H new ATOM 0 HE2 LYS A 45 8.370 -1.685 -2.190 1.00 0.00 H new ATOM 0 HE3 LYS A 45 9.521 -1.123 -0.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 10.443 -2.197 -3.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 11.046 -2.772 -1.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 9.895 -3.679 -2.435 1.00 0.00 H new ATOM 726 N ALA A 46 4.364 -3.465 3.202 1.00 0.00 N ATOM 727 CA ALA A 46 3.729 -4.056 4.375 1.00 0.00 C ATOM 728 C ALA A 46 2.629 -5.015 3.970 1.00 0.00 C ATOM 729 O ALA A 46 2.525 -6.121 4.505 1.00 0.00 O ATOM 730 CB ALA A 46 3.179 -2.978 5.282 1.00 0.00 C ATOM 0 H ALA A 46 4.316 -2.447 3.167 1.00 0.00 H new ATOM 0 HA ALA A 46 4.487 -4.617 4.921 1.00 0.00 H new ATOM 0 HB1 ALA A 46 2.709 -3.438 6.151 1.00 0.00 H new ATOM 0 HB2 ALA A 46 3.991 -2.329 5.610 1.00 0.00 H new ATOM 0 HB3 ALA A 46 2.440 -2.389 4.740 1.00 0.00 H new ATOM 736 N TYR A 47 1.803 -4.591 3.023 1.00 0.00 N ATOM 737 CA TYR A 47 0.714 -5.411 2.518 1.00 0.00 C ATOM 738 C TYR A 47 1.226 -6.733 1.954 1.00 0.00 C ATOM 739 O TYR A 47 0.766 -7.797 2.353 1.00 0.00 O ATOM 740 CB TYR A 47 -0.101 -4.642 1.460 1.00 0.00 C ATOM 741 CG TYR A 47 -1.079 -5.500 0.678 1.00 0.00 C ATOM 742 CD1 TYR A 47 -2.359 -5.753 1.157 1.00 0.00 C ATOM 743 CD2 TYR A 47 -0.716 -6.057 -0.545 1.00 0.00 C ATOM 744 CE1 TYR A 47 -3.245 -6.537 0.443 1.00 0.00 C ATOM 745 CE2 TYR A 47 -1.594 -6.838 -1.263 1.00 0.00 C ATOM 746 CZ TYR A 47 -2.854 -7.078 -0.769 1.00 0.00 C ATOM 747 OH TYR A 47 -3.723 -7.858 -1.489 1.00 0.00 O ATOM 0 H TYR A 47 1.870 -3.672 2.586 1.00 0.00 H new ATOM 0 HA TYR A 47 0.057 -5.643 3.356 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -0.652 -3.842 1.954 1.00 0.00 H new ATOM 0 HB3 TYR A 47 0.589 -4.169 0.761 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -2.666 -5.330 2.102 1.00 0.00 H new ATOM 0 HD2 TYR A 47 0.273 -5.873 -0.938 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -4.236 -6.726 0.828 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -1.294 -7.260 -2.211 1.00 0.00 H new ATOM 0 HH TYR A 47 -4.617 -7.805 -1.091 1.00 0.00 H new ATOM 757 N CYS A 48 2.198 -6.678 1.052 1.00 0.00 N ATOM 758 CA CYS A 48 2.711 -7.898 0.432 1.00 0.00 C ATOM 759 C CYS A 48 3.339 -8.822 1.478 1.00 0.00 C ATOM 760 O CYS A 48 3.181 -10.036 1.427 1.00 0.00 O ATOM 761 CB CYS A 48 3.728 -7.576 -0.673 1.00 0.00 C ATOM 762 SG CYS A 48 5.354 -7.056 -0.080 1.00 0.00 S ATOM 0 H CYS A 48 2.643 -5.816 0.735 1.00 0.00 H new ATOM 0 HA CYS A 48 1.866 -8.414 -0.023 1.00 0.00 H new ATOM 0 HB2 CYS A 48 3.851 -8.458 -1.302 1.00 0.00 H new ATOM 0 HB3 CYS A 48 3.319 -6.788 -1.305 1.00 0.00 H new ATOM 0 HG CYS A 48 5.212 -6.289 0.960 1.00 0.00 H new ATOM 768 N GLU A 49 4.016 -8.236 2.452 1.00 0.00 N ATOM 769 CA GLU A 49 4.688 -8.995 3.491 1.00 0.00 C ATOM 770 C GLU A 49 3.696 -9.713 4.404 1.00 0.00 C ATOM 771 O GLU A 49 3.929 -10.846 4.827 1.00 0.00 O ATOM 772 CB GLU A 49 5.599 -8.075 4.303 1.00 0.00 C ATOM 773 CG GLU A 49 6.761 -7.521 3.495 1.00 0.00 C ATOM 774 CD GLU A 49 7.744 -6.740 4.330 1.00 0.00 C ATOM 775 OE1 GLU A 49 8.320 -7.316 5.272 1.00 0.00 O ATOM 776 OE2 GLU A 49 7.956 -5.546 4.048 1.00 0.00 O ATOM 0 H GLU A 49 4.114 -7.225 2.544 1.00 0.00 H new ATOM 0 HA GLU A 49 5.293 -9.762 3.007 1.00 0.00 H new ATOM 0 HB2 GLU A 49 5.010 -7.246 4.697 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.989 -8.624 5.160 1.00 0.00 H new ATOM 0 HG2 GLU A 49 7.282 -8.345 3.007 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.373 -6.878 2.705 1.00 0.00 H new ATOM 783 N ARG A 50 2.580 -9.070 4.697 1.00 0.00 N ATOM 784 CA ARG A 50 1.577 -9.660 5.572 1.00 0.00 C ATOM 785 C ARG A 50 0.618 -10.562 4.798 1.00 0.00 C ATOM 786 O ARG A 50 0.007 -11.458 5.362 1.00 0.00 O ATOM 787 CB ARG A 50 0.801 -8.564 6.328 1.00 0.00 C ATOM 788 CG ARG A 50 0.077 -7.574 5.433 1.00 0.00 C ATOM 789 CD ARG A 50 -0.361 -6.339 6.205 1.00 0.00 C ATOM 790 NE ARG A 50 0.781 -5.643 6.816 1.00 0.00 N ATOM 791 CZ ARG A 50 0.690 -4.795 7.855 1.00 0.00 C ATOM 792 NH1 ARG A 50 -0.485 -4.560 8.428 1.00 0.00 N ATOM 793 NH2 ARG A 50 1.780 -4.194 8.326 1.00 0.00 N ATOM 0 H ARG A 50 2.344 -8.142 4.345 1.00 0.00 H new ATOM 0 HA ARG A 50 2.099 -10.280 6.300 1.00 0.00 H new ATOM 0 HB2 ARG A 50 0.073 -9.040 6.986 1.00 0.00 H new ATOM 0 HB3 ARG A 50 1.497 -8.018 6.965 1.00 0.00 H new ATOM 0 HG2 ARG A 50 0.731 -7.278 4.613 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -0.795 -8.054 4.988 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -0.885 -5.658 5.534 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -1.068 -6.628 6.982 1.00 0.00 H new ATOM 0 HE ARG A 50 1.707 -5.816 6.424 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -1.324 -5.024 8.080 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -0.548 -3.916 9.216 1.00 0.00 H new ATOM 0 HH21 ARG A 50 2.688 -4.376 7.898 1.00 0.00 H new ATOM 0 HH22 ARG A 50 1.707 -3.551 9.115 1.00 0.00 H new ATOM 807 N GLN A 51 0.491 -10.332 3.499 1.00 0.00 N ATOM 808 CA GLN A 51 -0.419 -11.127 2.672 1.00 0.00 C ATOM 809 C GLN A 51 0.311 -12.253 1.952 1.00 0.00 C ATOM 810 O GLN A 51 -0.306 -13.081 1.284 1.00 0.00 O ATOM 811 CB GLN A 51 -1.163 -10.237 1.676 1.00 0.00 C ATOM 812 CG GLN A 51 -2.028 -9.184 2.352 1.00 0.00 C ATOM 813 CD GLN A 51 -2.991 -9.778 3.362 1.00 0.00 C ATOM 814 OE1 GLN A 51 -4.139 -10.085 3.043 1.00 0.00 O ATOM 815 NE2 GLN A 51 -2.523 -9.955 4.577 1.00 0.00 N ATOM 0 H GLN A 51 1.001 -9.608 2.993 1.00 0.00 H new ATOM 0 HA GLN A 51 -1.150 -11.586 3.338 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -0.440 -9.743 1.027 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -1.790 -10.860 1.038 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -1.386 -8.458 2.851 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -2.592 -8.642 1.593 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -1.564 -9.686 4.798 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -3.118 -10.361 5.299 1.00 0.00 H new ATOM 824 N GLY A 52 1.625 -12.290 2.096 1.00 0.00 N ATOM 825 CA GLY A 52 2.418 -13.335 1.461 1.00 0.00 C ATOM 826 C GLY A 52 2.510 -13.153 -0.040 1.00 0.00 C ATOM 827 O GLY A 52 2.429 -14.116 -0.809 1.00 0.00 O ATOM 0 H GLY A 52 2.163 -11.617 2.641 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.421 -13.336 1.887 1.00 0.00 H new ATOM 0 HA3 GLY A 52 1.977 -14.307 1.681 1.00 0.00 H new ATOM 831 N LEU A 53 2.691 -11.920 -0.460 1.00 0.00 N ATOM 832 CA LEU A 53 2.762 -11.583 -1.866 1.00 0.00 C ATOM 833 C LEU A 53 4.126 -11.024 -2.212 1.00 0.00 C ATOM 834 O LEU A 53 4.826 -10.480 -1.359 1.00 0.00 O ATOM 835 CB LEU A 53 1.670 -10.574 -2.232 1.00 0.00 C ATOM 836 CG LEU A 53 0.418 -11.145 -2.906 1.00 0.00 C ATOM 837 CD1 LEU A 53 -0.137 -12.315 -2.124 1.00 0.00 C ATOM 838 CD2 LEU A 53 -0.636 -10.065 -3.064 1.00 0.00 C ATOM 0 H LEU A 53 2.793 -11.120 0.165 1.00 0.00 H new ATOM 0 HA LEU A 53 2.603 -12.494 -2.443 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.364 -10.056 -1.323 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.104 -9.825 -2.894 1.00 0.00 H new ATOM 0 HG LEU A 53 0.701 -11.506 -3.895 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.025 -12.700 -2.626 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.615 -13.102 -2.063 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.402 -11.988 -1.119 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -1.519 -10.486 -3.544 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.907 -9.675 -2.083 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.239 -9.257 -3.678 1.00 0.00 H new ATOM 850 N SER A 54 4.508 -11.162 -3.455 1.00 0.00 N ATOM 851 CA SER A 54 5.793 -10.674 -3.915 1.00 0.00 C ATOM 852 C SER A 54 5.650 -9.362 -4.689 1.00 0.00 C ATOM 853 O SER A 54 4.960 -9.301 -5.697 1.00 0.00 O ATOM 854 CB SER A 54 6.469 -11.732 -4.775 1.00 0.00 C ATOM 855 OG SER A 54 6.859 -12.850 -3.992 1.00 0.00 O ATOM 0 H SER A 54 3.945 -11.612 -4.177 1.00 0.00 H new ATOM 0 HA SER A 54 6.414 -10.472 -3.042 1.00 0.00 H new ATOM 0 HB2 SER A 54 5.788 -12.055 -5.563 1.00 0.00 H new ATOM 0 HB3 SER A 54 7.343 -11.304 -5.265 1.00 0.00 H new ATOM 0 HG SER A 54 7.290 -13.517 -4.566 1.00 0.00 H new ATOM 861 N MET A 55 6.339 -8.317 -4.221 1.00 0.00 N ATOM 862 CA MET A 55 6.285 -6.968 -4.835 1.00 0.00 C ATOM 863 C MET A 55 6.659 -6.975 -6.323 1.00 0.00 C ATOM 864 O MET A 55 6.244 -6.102 -7.084 1.00 0.00 O ATOM 865 CB MET A 55 7.211 -6.008 -4.082 1.00 0.00 C ATOM 866 CG MET A 55 6.754 -5.691 -2.678 1.00 0.00 C ATOM 867 SD MET A 55 5.227 -4.737 -2.664 1.00 0.00 S ATOM 868 CE MET A 55 5.809 -3.181 -3.324 1.00 0.00 C ATOM 0 H MET A 55 6.952 -8.372 -3.407 1.00 0.00 H new ATOM 0 HA MET A 55 5.251 -6.632 -4.760 1.00 0.00 H new ATOM 0 HB2 MET A 55 8.210 -6.442 -4.039 1.00 0.00 H new ATOM 0 HB3 MET A 55 7.291 -5.079 -4.646 1.00 0.00 H new ATOM 0 HG2 MET A 55 6.606 -6.620 -2.127 1.00 0.00 H new ATOM 0 HG3 MET A 55 7.534 -5.133 -2.160 1.00 0.00 H new ATOM 0 HE1 MET A 55 5.686 -2.399 -2.575 1.00 0.00 H new ATOM 0 HE2 MET A 55 6.863 -3.269 -3.587 1.00 0.00 H new ATOM 0 HE3 MET A 55 5.234 -2.925 -4.214 1.00 0.00 H new ATOM 878 N ARG A 56 7.442 -7.953 -6.741 1.00 0.00 N ATOM 879 CA ARG A 56 7.865 -8.037 -8.138 1.00 0.00 C ATOM 880 C ARG A 56 6.792 -8.725 -8.965 1.00 0.00 C ATOM 881 O ARG A 56 6.611 -8.444 -10.146 1.00 0.00 O ATOM 882 CB ARG A 56 9.198 -8.808 -8.281 1.00 0.00 C ATOM 883 CG ARG A 56 10.316 -8.345 -7.351 1.00 0.00 C ATOM 884 CD ARG A 56 10.265 -9.068 -6.008 1.00 0.00 C ATOM 885 NE ARG A 56 10.501 -10.509 -6.142 1.00 0.00 N ATOM 886 CZ ARG A 56 10.296 -11.404 -5.168 1.00 0.00 C ATOM 887 NH1 ARG A 56 9.894 -11.004 -3.967 1.00 0.00 N ATOM 888 NH2 ARG A 56 10.517 -12.692 -5.395 1.00 0.00 N ATOM 0 H ARG A 56 7.799 -8.698 -6.143 1.00 0.00 H new ATOM 0 HA ARG A 56 8.017 -7.020 -8.501 1.00 0.00 H new ATOM 0 HB2 ARG A 56 9.009 -9.866 -8.099 1.00 0.00 H new ATOM 0 HB3 ARG A 56 9.543 -8.719 -9.311 1.00 0.00 H new ATOM 0 HG2 ARG A 56 11.281 -8.524 -7.825 1.00 0.00 H new ATOM 0 HG3 ARG A 56 10.234 -7.270 -7.190 1.00 0.00 H new ATOM 0 HD2 ARG A 56 11.012 -8.640 -5.339 1.00 0.00 H new ATOM 0 HD3 ARG A 56 9.292 -8.903 -5.546 1.00 0.00 H new ATOM 0 HE ARG A 56 10.845 -10.853 -7.039 1.00 0.00 H new ATOM 0 HH11 ARG A 56 9.741 -10.012 -3.785 1.00 0.00 H new ATOM 0 HH12 ARG A 56 9.739 -11.689 -3.227 1.00 0.00 H new ATOM 0 HH21 ARG A 56 10.843 -13.000 -6.311 1.00 0.00 H new ATOM 0 HH22 ARG A 56 10.361 -13.375 -4.653 1.00 0.00 H new ATOM 902 N GLN A 57 6.072 -9.633 -8.326 1.00 0.00 N ATOM 903 CA GLN A 57 5.039 -10.414 -8.986 1.00 0.00 C ATOM 904 C GLN A 57 3.697 -9.703 -8.940 1.00 0.00 C ATOM 905 O GLN A 57 2.825 -9.942 -9.772 1.00 0.00 O ATOM 906 CB GLN A 57 4.915 -11.802 -8.337 1.00 0.00 C ATOM 907 CG GLN A 57 5.892 -12.866 -8.863 1.00 0.00 C ATOM 908 CD GLN A 57 7.244 -12.907 -8.159 1.00 0.00 C ATOM 909 OE1 GLN A 57 7.804 -13.980 -7.952 1.00 0.00 O ATOM 910 NE2 GLN A 57 7.799 -11.766 -7.855 1.00 0.00 N ATOM 0 H GLN A 57 6.187 -9.849 -7.336 1.00 0.00 H new ATOM 0 HA GLN A 57 5.331 -10.532 -10.030 1.00 0.00 H new ATOM 0 HB2 GLN A 57 5.064 -11.696 -7.262 1.00 0.00 H new ATOM 0 HB3 GLN A 57 3.897 -12.163 -8.484 1.00 0.00 H new ATOM 0 HG2 GLN A 57 5.422 -13.845 -8.771 1.00 0.00 H new ATOM 0 HG3 GLN A 57 6.058 -12.690 -9.926 1.00 0.00 H new ATOM 0 HE21 GLN A 57 7.305 -10.893 -8.041 1.00 0.00 H new ATOM 0 HE22 GLN A 57 8.727 -11.747 -7.432 1.00 0.00 H new ATOM 919 N ILE A 58 3.513 -8.830 -7.969 1.00 0.00 N ATOM 920 CA ILE A 58 2.268 -8.105 -7.841 1.00 0.00 C ATOM 921 C ILE A 58 2.462 -6.658 -8.248 1.00 0.00 C ATOM 922 O ILE A 58 3.582 -6.220 -8.524 1.00 0.00 O ATOM 923 CB ILE A 58 1.722 -8.146 -6.391 1.00 0.00 C ATOM 924 CG1 ILE A 58 2.577 -7.270 -5.462 1.00 0.00 C ATOM 925 CG2 ILE A 58 1.695 -9.583 -5.889 1.00 0.00 C ATOM 926 CD1 ILE A 58 1.983 -7.065 -4.085 1.00 0.00 C ATOM 0 H ILE A 58 4.210 -8.607 -7.259 1.00 0.00 H new ATOM 0 HA ILE A 58 1.546 -8.590 -8.498 1.00 0.00 H new ATOM 0 HB ILE A 58 0.706 -7.750 -6.390 1.00 0.00 H new ATOM 0 HG12 ILE A 58 3.562 -7.725 -5.357 1.00 0.00 H new ATOM 0 HG13 ILE A 58 2.723 -6.297 -5.931 1.00 0.00 H new ATOM 0 HG21 ILE A 58 1.310 -9.605 -4.869 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.051 -10.181 -6.533 1.00 0.00 H new ATOM 0 HG23 ILE A 58 2.705 -9.993 -5.905 1.00 0.00 H new ATOM 0 HD11 ILE A 58 2.647 -6.436 -3.492 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.011 -6.581 -4.177 1.00 0.00 H new ATOM 0 HD13 ILE A 58 1.863 -8.030 -3.593 1.00 0.00 H new ATOM 938 N ARG A 59 1.384 -5.908 -8.292 1.00 0.00 N ATOM 939 CA ARG A 59 1.463 -4.517 -8.632 1.00 0.00 C ATOM 940 C ARG A 59 0.242 -3.779 -8.131 1.00 0.00 C ATOM 941 O ARG A 59 -0.894 -4.252 -8.267 1.00 0.00 O ATOM 942 CB ARG A 59 1.643 -4.342 -10.146 1.00 0.00 C ATOM 943 CG ARG A 59 1.967 -2.920 -10.588 1.00 0.00 C ATOM 944 CD ARG A 59 3.059 -2.285 -9.728 1.00 0.00 C ATOM 945 NE ARG A 59 4.159 -3.207 -9.415 1.00 0.00 N ATOM 946 CZ ARG A 59 5.411 -2.821 -9.144 1.00 0.00 C ATOM 947 NH1 ARG A 59 5.773 -1.547 -9.296 1.00 0.00 N ATOM 948 NH2 ARG A 59 6.309 -3.713 -8.739 1.00 0.00 N ATOM 0 H ARG A 59 0.442 -6.245 -8.095 1.00 0.00 H new ATOM 0 HA ARG A 59 2.336 -4.086 -8.142 1.00 0.00 H new ATOM 0 HB2 ARG A 59 2.442 -5.003 -10.482 1.00 0.00 H new ATOM 0 HB3 ARG A 59 0.730 -4.665 -10.647 1.00 0.00 H new ATOM 0 HG2 ARG A 59 2.286 -2.929 -11.630 1.00 0.00 H new ATOM 0 HG3 ARG A 59 1.065 -2.310 -10.536 1.00 0.00 H new ATOM 0 HD2 ARG A 59 3.460 -1.414 -10.246 1.00 0.00 H new ATOM 0 HD3 ARG A 59 2.618 -1.927 -8.798 1.00 0.00 H new ATOM 0 HE ARG A 59 3.955 -4.206 -9.404 1.00 0.00 H new ATOM 0 HH11 ARG A 59 5.094 -0.859 -9.621 1.00 0.00 H new ATOM 0 HH12 ARG A 59 6.729 -1.260 -9.087 1.00 0.00 H new ATOM 0 HH21 ARG A 59 6.044 -4.692 -8.635 1.00 0.00 H new ATOM 0 HH22 ARG A 59 7.263 -3.418 -8.533 1.00 0.00 H new ATOM 962 N PHE A 60 0.486 -2.637 -7.522 1.00 0.00 N ATOM 963 CA PHE A 60 -0.558 -1.799 -6.978 1.00 0.00 C ATOM 964 C PHE A 60 -1.118 -0.877 -8.050 1.00 0.00 C ATOM 965 O PHE A 60 -0.383 -0.387 -8.920 1.00 0.00 O ATOM 966 CB PHE A 60 0.000 -0.973 -5.819 1.00 0.00 C ATOM 967 CG PHE A 60 0.126 -1.719 -4.519 1.00 0.00 C ATOM 968 CD1 PHE A 60 0.729 -2.970 -4.462 1.00 0.00 C ATOM 969 CD2 PHE A 60 -0.358 -1.163 -3.350 1.00 0.00 C ATOM 970 CE1 PHE A 60 0.837 -3.645 -3.262 1.00 0.00 C ATOM 971 CE2 PHE A 60 -0.252 -1.829 -2.152 1.00 0.00 C ATOM 972 CZ PHE A 60 0.344 -3.072 -2.104 1.00 0.00 C ATOM 0 H PHE A 60 1.425 -2.262 -7.390 1.00 0.00 H new ATOM 0 HA PHE A 60 -1.365 -2.435 -6.615 1.00 0.00 H new ATOM 0 HB2 PHE A 60 0.982 -0.593 -6.101 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -0.644 -0.107 -5.665 1.00 0.00 H new ATOM 0 HD1 PHE A 60 1.117 -3.418 -5.365 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -0.827 -0.190 -3.378 1.00 0.00 H new ATOM 0 HE1 PHE A 60 1.305 -4.618 -3.228 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -0.635 -1.379 -1.248 1.00 0.00 H new ATOM 0 HZ PHE A 60 0.425 -3.597 -1.164 1.00 0.00 H new ATOM 982 N ARG A 61 -2.408 -0.642 -8.003 1.00 0.00 N ATOM 983 CA ARG A 61 -3.065 0.216 -8.963 1.00 0.00 C ATOM 984 C ARG A 61 -4.152 1.048 -8.283 1.00 0.00 C ATOM 985 O ARG A 61 -4.844 0.575 -7.389 1.00 0.00 O ATOM 986 CB ARG A 61 -3.649 -0.636 -10.091 1.00 0.00 C ATOM 987 CG ARG A 61 -4.371 0.150 -11.165 1.00 0.00 C ATOM 988 CD ARG A 61 -4.670 -0.716 -12.371 1.00 0.00 C ATOM 989 NE ARG A 61 -3.445 -1.240 -12.987 1.00 0.00 N ATOM 990 CZ ARG A 61 -3.367 -1.694 -14.239 1.00 0.00 C ATOM 991 NH1 ARG A 61 -4.438 -1.666 -15.028 1.00 0.00 N ATOM 992 NH2 ARG A 61 -2.214 -2.173 -14.705 1.00 0.00 N ATOM 0 H ARG A 61 -3.032 -1.039 -7.300 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.337 0.908 -9.387 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -2.842 -1.204 -10.555 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -4.342 -1.360 -9.661 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -5.301 0.551 -10.762 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -3.762 1.002 -11.468 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -5.310 -1.546 -12.072 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -5.226 -0.134 -13.106 1.00 0.00 H new ATOM 0 HE ARG A 61 -2.597 -1.258 -12.420 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -5.321 -1.297 -14.676 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -4.376 -2.014 -15.985 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -1.390 -2.193 -14.104 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -2.156 -2.520 -15.662 1.00 0.00 H new ATOM 1006 N PHE A 62 -4.284 2.291 -8.698 1.00 0.00 N ATOM 1007 CA PHE A 62 -5.273 3.197 -8.135 1.00 0.00 C ATOM 1008 C PHE A 62 -5.693 4.194 -9.202 1.00 0.00 C ATOM 1009 O PHE A 62 -4.850 4.687 -9.947 1.00 0.00 O ATOM 1010 CB PHE A 62 -4.677 3.932 -6.925 1.00 0.00 C ATOM 1011 CG PHE A 62 -5.664 4.763 -6.146 1.00 0.00 C ATOM 1012 CD1 PHE A 62 -5.896 6.089 -6.477 1.00 0.00 C ATOM 1013 CD2 PHE A 62 -6.348 4.219 -5.078 1.00 0.00 C ATOM 1014 CE1 PHE A 62 -6.796 6.852 -5.756 1.00 0.00 C ATOM 1015 CE2 PHE A 62 -7.246 4.976 -4.351 1.00 0.00 C ATOM 1016 CZ PHE A 62 -7.470 6.295 -4.692 1.00 0.00 C ATOM 0 H PHE A 62 -3.711 2.705 -9.434 1.00 0.00 H new ATOM 0 HA PHE A 62 -6.145 2.633 -7.803 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -4.231 3.198 -6.254 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -3.871 4.579 -7.271 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -5.367 6.532 -7.308 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -6.179 3.187 -4.807 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -6.970 7.883 -6.027 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -7.772 4.537 -3.517 1.00 0.00 H new ATOM 0 HZ PHE A 62 -8.172 6.889 -4.126 1.00 0.00 H new ATOM 1026 N ASP A 63 -6.996 4.471 -9.304 1.00 0.00 N ATOM 1027 CA ASP A 63 -7.525 5.417 -10.303 1.00 0.00 C ATOM 1028 C ASP A 63 -7.356 4.879 -11.712 1.00 0.00 C ATOM 1029 O ASP A 63 -7.251 5.636 -12.679 1.00 0.00 O ATOM 1030 CB ASP A 63 -6.884 6.812 -10.180 1.00 0.00 C ATOM 1031 CG ASP A 63 -7.627 7.722 -9.228 1.00 0.00 C ATOM 1032 OD1 ASP A 63 -8.871 7.766 -9.288 1.00 0.00 O ATOM 1033 OD2 ASP A 63 -6.976 8.422 -8.436 1.00 0.00 O ATOM 0 H ASP A 63 -7.710 4.054 -8.707 1.00 0.00 H new ATOM 0 HA ASP A 63 -8.590 5.526 -10.098 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -5.854 6.704 -9.841 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -6.848 7.277 -11.165 1.00 0.00 H new ATOM 1038 N GLY A 64 -7.336 3.557 -11.830 1.00 0.00 N ATOM 1039 CA GLY A 64 -7.205 2.921 -13.126 1.00 0.00 C ATOM 1040 C GLY A 64 -5.786 2.919 -13.649 1.00 0.00 C ATOM 1041 O GLY A 64 -5.520 2.432 -14.745 1.00 0.00 O ATOM 0 H GLY A 64 -7.409 2.910 -11.045 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -7.561 1.893 -13.057 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -7.848 3.433 -13.841 1.00 0.00 H new ATOM 1045 N GLN A 65 -4.861 3.440 -12.870 1.00 0.00 N ATOM 1046 CA GLN A 65 -3.476 3.508 -13.284 1.00 0.00 C ATOM 1047 C GLN A 65 -2.583 2.849 -12.245 1.00 0.00 C ATOM 1048 O GLN A 65 -2.862 2.914 -11.046 1.00 0.00 O ATOM 1049 CB GLN A 65 -3.045 4.961 -13.494 1.00 0.00 C ATOM 1050 CG GLN A 65 -3.220 5.821 -12.263 1.00 0.00 C ATOM 1051 CD GLN A 65 -2.468 7.120 -12.343 1.00 0.00 C ATOM 1052 OE1 GLN A 65 -2.273 7.682 -13.419 1.00 0.00 O ATOM 1053 NE2 GLN A 65 -2.027 7.597 -11.203 1.00 0.00 N ATOM 0 H GLN A 65 -5.045 3.824 -11.943 1.00 0.00 H new ATOM 0 HA GLN A 65 -3.376 2.975 -14.230 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -1.998 4.982 -13.797 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -3.623 5.389 -14.313 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -4.280 6.029 -12.120 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -2.883 5.266 -11.388 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -2.213 7.096 -10.334 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -1.498 8.469 -11.185 1.00 0.00 H new ATOM 1062 N PRO A 66 -1.517 2.184 -12.680 1.00 0.00 N ATOM 1063 CA PRO A 66 -0.582 1.548 -11.770 1.00 0.00 C ATOM 1064 C PRO A 66 0.213 2.580 -10.976 1.00 0.00 C ATOM 1065 O PRO A 66 0.577 3.639 -11.489 1.00 0.00 O ATOM 1066 CB PRO A 66 0.339 0.747 -12.692 1.00 0.00 C ATOM 1067 CG PRO A 66 0.242 1.423 -14.016 1.00 0.00 C ATOM 1068 CD PRO A 66 -1.145 1.993 -14.095 1.00 0.00 C ATOM 0 HA PRO A 66 -1.084 0.929 -11.027 1.00 0.00 H new ATOM 0 HB2 PRO A 66 1.365 0.748 -12.323 1.00 0.00 H new ATOM 0 HB3 PRO A 66 0.024 -0.295 -12.757 1.00 0.00 H new ATOM 0 HG2 PRO A 66 0.992 2.209 -14.108 1.00 0.00 H new ATOM 0 HG3 PRO A 66 0.420 0.717 -14.827 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -1.162 2.934 -14.646 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -1.830 1.314 -14.603 1.00 0.00 H new ATOM 1076 N ILE A 67 0.477 2.275 -9.730 1.00 0.00 N ATOM 1077 CA ILE A 67 1.227 3.172 -8.876 1.00 0.00 C ATOM 1078 C ILE A 67 2.561 2.563 -8.508 1.00 0.00 C ATOM 1079 O ILE A 67 2.831 1.391 -8.802 1.00 0.00 O ATOM 1080 CB ILE A 67 0.446 3.567 -7.601 1.00 0.00 C ATOM 1081 CG1 ILE A 67 -0.104 2.327 -6.890 1.00 0.00 C ATOM 1082 CG2 ILE A 67 -0.672 4.541 -7.947 1.00 0.00 C ATOM 1083 CD1 ILE A 67 -0.941 2.642 -5.669 1.00 0.00 C ATOM 0 H ILE A 67 0.183 1.408 -9.279 1.00 0.00 H new ATOM 0 HA ILE A 67 1.395 4.086 -9.446 1.00 0.00 H new ATOM 0 HB ILE A 67 1.133 4.063 -6.915 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -0.707 1.754 -7.594 1.00 0.00 H new ATOM 0 HG13 ILE A 67 0.730 1.691 -6.593 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -1.213 4.810 -7.040 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -0.247 5.439 -8.396 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -1.357 4.072 -8.653 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -1.294 1.713 -5.221 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -0.337 3.188 -4.945 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -1.796 3.252 -5.961 1.00 0.00 H new ATOM 1095 N ASN A 68 3.397 3.343 -7.886 1.00 0.00 N ATOM 1096 CA ASN A 68 4.722 2.911 -7.512 1.00 0.00 C ATOM 1097 C ASN A 68 5.005 3.250 -6.082 1.00 0.00 C ATOM 1098 O ASN A 68 4.451 4.188 -5.542 1.00 0.00 O ATOM 1099 CB ASN A 68 5.798 3.528 -8.420 1.00 0.00 C ATOM 1100 CG ASN A 68 5.495 4.947 -8.900 1.00 0.00 C ATOM 1101 OD1 ASN A 68 5.829 5.311 -10.031 1.00 0.00 O ATOM 1102 ND2 ASN A 68 4.895 5.758 -8.052 1.00 0.00 N ATOM 0 H ASN A 68 3.182 4.304 -7.620 1.00 0.00 H new ATOM 0 HA ASN A 68 4.756 1.829 -7.635 1.00 0.00 H new ATOM 0 HB2 ASN A 68 6.746 3.536 -7.882 1.00 0.00 H new ATOM 0 HB3 ASN A 68 5.931 2.886 -9.291 1.00 0.00 H new ATOM 0 HD21 ASN A 68 4.693 6.720 -8.323 1.00 0.00 H new ATOM 0 HD22 ASN A 68 4.633 5.423 -7.125 1.00 0.00 H new ATOM 1109 N GLU A 69 5.911 2.515 -5.474 1.00 0.00 N ATOM 1110 CA GLU A 69 6.239 2.711 -4.068 1.00 0.00 C ATOM 1111 C GLU A 69 6.832 4.103 -3.807 1.00 0.00 C ATOM 1112 O GLU A 69 7.002 4.517 -2.662 1.00 0.00 O ATOM 1113 CB GLU A 69 7.202 1.624 -3.593 1.00 0.00 C ATOM 1114 CG GLU A 69 8.568 1.676 -4.248 1.00 0.00 C ATOM 1115 CD GLU A 69 9.521 0.664 -3.661 1.00 0.00 C ATOM 1116 OE1 GLU A 69 10.018 0.900 -2.538 1.00 0.00 O ATOM 1117 OE2 GLU A 69 9.779 -0.371 -4.310 1.00 0.00 O ATOM 0 H GLU A 69 6.439 1.771 -5.930 1.00 0.00 H new ATOM 0 HA GLU A 69 5.311 2.640 -3.500 1.00 0.00 H new ATOM 0 HB2 GLU A 69 7.325 1.710 -2.513 1.00 0.00 H new ATOM 0 HB3 GLU A 69 6.755 0.649 -3.786 1.00 0.00 H new ATOM 0 HG2 GLU A 69 8.463 1.496 -5.318 1.00 0.00 H new ATOM 0 HG3 GLU A 69 8.986 2.676 -4.133 1.00 0.00 H new ATOM 1124 N THR A 70 7.127 4.835 -4.867 1.00 0.00 N ATOM 1125 CA THR A 70 7.703 6.147 -4.731 1.00 0.00 C ATOM 1126 C THR A 70 6.634 7.244 -4.874 1.00 0.00 C ATOM 1127 O THR A 70 6.955 8.438 -4.940 1.00 0.00 O ATOM 1128 CB THR A 70 8.840 6.371 -5.760 1.00 0.00 C ATOM 1129 OG1 THR A 70 9.474 7.637 -5.527 1.00 0.00 O ATOM 1130 CG2 THR A 70 8.302 6.332 -7.181 1.00 0.00 C ATOM 0 H THR A 70 6.974 4.536 -5.830 1.00 0.00 H new ATOM 0 HA THR A 70 8.128 6.210 -3.729 1.00 0.00 H new ATOM 0 HB THR A 70 9.568 5.569 -5.638 1.00 0.00 H new ATOM 0 HG1 THR A 70 8.815 8.274 -5.180 1.00 0.00 H new ATOM 0 HG21 THR A 70 9.119 6.492 -7.884 1.00 0.00 H new ATOM 0 HG22 THR A 70 7.845 5.361 -7.371 1.00 0.00 H new ATOM 0 HG23 THR A 70 7.555 7.116 -7.309 1.00 0.00 H new ATOM 1138 N ASP A 71 5.362 6.855 -4.901 1.00 0.00 N ATOM 1139 CA ASP A 71 4.287 7.841 -5.015 1.00 0.00 C ATOM 1140 C ASP A 71 3.690 8.114 -3.641 1.00 0.00 C ATOM 1141 O ASP A 71 3.840 7.312 -2.707 1.00 0.00 O ATOM 1142 CB ASP A 71 3.190 7.384 -6.014 1.00 0.00 C ATOM 1143 CG ASP A 71 2.032 6.651 -5.381 1.00 0.00 C ATOM 1144 OD1 ASP A 71 1.096 7.323 -4.910 1.00 0.00 O ATOM 1145 OD2 ASP A 71 2.044 5.410 -5.392 1.00 0.00 O ATOM 0 H ASP A 71 5.052 5.885 -4.847 1.00 0.00 H new ATOM 0 HA ASP A 71 4.713 8.764 -5.409 1.00 0.00 H new ATOM 0 HB2 ASP A 71 2.806 8.259 -6.538 1.00 0.00 H new ATOM 0 HB3 ASP A 71 3.646 6.738 -6.764 1.00 0.00 H new ATOM 1150 N THR A 72 3.058 9.259 -3.495 1.00 0.00 N ATOM 1151 CA THR A 72 2.429 9.624 -2.249 1.00 0.00 C ATOM 1152 C THR A 72 0.961 9.926 -2.487 1.00 0.00 C ATOM 1153 O THR A 72 0.588 10.373 -3.579 1.00 0.00 O ATOM 1154 CB THR A 72 3.098 10.866 -1.614 1.00 0.00 C ATOM 1155 OG1 THR A 72 2.968 11.990 -2.493 1.00 0.00 O ATOM 1156 CG2 THR A 72 4.570 10.614 -1.336 1.00 0.00 C ATOM 0 H THR A 72 2.967 9.957 -4.233 1.00 0.00 H new ATOM 0 HA THR A 72 2.540 8.783 -1.564 1.00 0.00 H new ATOM 0 HB THR A 72 2.597 11.073 -0.669 1.00 0.00 H new ATOM 0 HG1 THR A 72 3.392 12.774 -2.086 1.00 0.00 H new ATOM 0 HG21 THR A 72 5.014 11.504 -0.890 1.00 0.00 H new ATOM 0 HG22 THR A 72 4.672 9.774 -0.648 1.00 0.00 H new ATOM 0 HG23 THR A 72 5.082 10.382 -2.270 1.00 0.00 H new ATOM 1164 N PRO A 73 0.104 9.715 -1.467 1.00 0.00 N ATOM 1165 CA PRO A 73 -1.332 9.971 -1.574 1.00 0.00 C ATOM 1166 C PRO A 73 -1.646 11.422 -1.960 1.00 0.00 C ATOM 1167 O PRO A 73 -2.729 11.731 -2.451 1.00 0.00 O ATOM 1168 CB PRO A 73 -1.876 9.651 -0.173 1.00 0.00 C ATOM 1169 CG PRO A 73 -0.682 9.606 0.715 1.00 0.00 C ATOM 1170 CD PRO A 73 0.466 9.188 -0.147 1.00 0.00 C ATOM 0 HA PRO A 73 -1.786 9.368 -2.360 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -2.583 10.412 0.157 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -2.407 8.699 -0.166 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -0.495 10.581 1.165 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -0.832 8.901 1.532 1.00 0.00 H new ATOM 0 HD2 PRO A 73 1.409 9.605 0.208 1.00 0.00 H new ATOM 0 HD3 PRO A 73 0.583 8.104 -0.164 1.00 0.00 H new ATOM 1178 N ALA A 74 -0.694 12.313 -1.751 1.00 0.00 N ATOM 1179 CA ALA A 74 -0.870 13.713 -2.098 1.00 0.00 C ATOM 1180 C ALA A 74 -0.624 13.941 -3.580 1.00 0.00 C ATOM 1181 O ALA A 74 -1.208 14.840 -4.191 1.00 0.00 O ATOM 1182 CB ALA A 74 0.064 14.588 -1.278 1.00 0.00 C ATOM 0 H ALA A 74 0.213 12.091 -1.341 1.00 0.00 H new ATOM 0 HA ALA A 74 -1.901 13.986 -1.872 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -0.082 15.633 -1.552 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -0.152 14.457 -0.218 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.097 14.302 -1.476 1.00 0.00 H new ATOM 1188 N GLN A 75 0.231 13.116 -4.167 1.00 0.00 N ATOM 1189 CA GLN A 75 0.582 13.250 -5.567 1.00 0.00 C ATOM 1190 C GLN A 75 -0.567 12.818 -6.455 1.00 0.00 C ATOM 1191 O GLN A 75 -1.044 13.578 -7.291 1.00 0.00 O ATOM 1192 CB GLN A 75 1.795 12.394 -5.887 1.00 0.00 C ATOM 1193 CG GLN A 75 2.307 12.575 -7.301 1.00 0.00 C ATOM 1194 CD GLN A 75 3.425 11.613 -7.657 1.00 0.00 C ATOM 1195 OE1 GLN A 75 3.550 11.192 -8.807 1.00 0.00 O ATOM 1196 NE2 GLN A 75 4.257 11.284 -6.691 1.00 0.00 N ATOM 0 H GLN A 75 0.695 12.343 -3.689 1.00 0.00 H new ATOM 0 HA GLN A 75 0.807 14.300 -5.755 1.00 0.00 H new ATOM 0 HB2 GLN A 75 2.594 12.634 -5.186 1.00 0.00 H new ATOM 0 HB3 GLN A 75 1.541 11.345 -5.733 1.00 0.00 H new ATOM 0 HG2 GLN A 75 1.482 12.438 -8.000 1.00 0.00 H new ATOM 0 HG3 GLN A 75 2.663 13.598 -7.424 1.00 0.00 H new ATOM 0 HE21 GLN A 75 4.119 11.654 -5.751 1.00 0.00 H new ATOM 0 HE22 GLN A 75 5.040 10.659 -6.883 1.00 0.00 H new ATOM 1205 N LEU A 76 -1.025 11.593 -6.267 1.00 0.00 N ATOM 1206 CA LEU A 76 -2.102 11.064 -7.094 1.00 0.00 C ATOM 1207 C LEU A 76 -3.472 11.527 -6.599 1.00 0.00 C ATOM 1208 O LEU A 76 -4.504 11.107 -7.115 1.00 0.00 O ATOM 1209 CB LEU A 76 -2.040 9.524 -7.208 1.00 0.00 C ATOM 1210 CG LEU A 76 -2.633 8.698 -6.053 1.00 0.00 C ATOM 1211 CD1 LEU A 76 -2.542 7.222 -6.371 1.00 0.00 C ATOM 1212 CD2 LEU A 76 -1.924 8.989 -4.748 1.00 0.00 C ATOM 0 H LEU A 76 -0.674 10.949 -5.558 1.00 0.00 H new ATOM 0 HA LEU A 76 -1.958 11.469 -8.096 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -2.553 9.234 -8.125 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -0.995 9.238 -7.323 1.00 0.00 H new ATOM 0 HG LEU A 76 -3.680 8.981 -5.940 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -2.964 6.646 -5.548 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -3.099 7.012 -7.284 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -1.497 6.944 -6.511 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -2.366 8.390 -3.952 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.867 8.740 -4.845 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -2.027 10.047 -4.506 1.00 0.00 H new ATOM 1224 N GLU A 77 -3.469 12.418 -5.600 1.00 0.00 N ATOM 1225 CA GLU A 77 -4.698 12.969 -5.029 1.00 0.00 C ATOM 1226 C GLU A 77 -5.611 11.864 -4.523 1.00 0.00 C ATOM 1227 O GLU A 77 -6.704 11.634 -5.048 1.00 0.00 O ATOM 1228 CB GLU A 77 -5.421 13.877 -6.023 1.00 0.00 C ATOM 1229 CG GLU A 77 -4.581 15.056 -6.474 1.00 0.00 C ATOM 1230 CD GLU A 77 -5.355 16.030 -7.321 1.00 0.00 C ATOM 1231 OE1 GLU A 77 -5.450 15.815 -8.545 1.00 0.00 O ATOM 1232 OE2 GLU A 77 -5.875 17.023 -6.762 1.00 0.00 O ATOM 0 H GLU A 77 -2.616 12.774 -5.168 1.00 0.00 H new ATOM 0 HA GLU A 77 -4.416 13.584 -4.174 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -5.712 13.291 -6.895 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -6.339 14.247 -5.566 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -4.189 15.574 -5.599 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -3.723 14.691 -7.039 1.00 0.00 H new ATOM 1239 N MET A 78 -5.134 11.153 -3.528 1.00 0.00 N ATOM 1240 CA MET A 78 -5.861 10.049 -2.942 1.00 0.00 C ATOM 1241 C MET A 78 -7.003 10.544 -2.063 1.00 0.00 C ATOM 1242 O MET A 78 -7.297 11.740 -2.004 1.00 0.00 O ATOM 1243 CB MET A 78 -4.908 9.182 -2.129 1.00 0.00 C ATOM 1244 CG MET A 78 -4.908 7.724 -2.531 1.00 0.00 C ATOM 1245 SD MET A 78 -3.453 6.857 -1.936 1.00 0.00 S ATOM 1246 CE MET A 78 -3.558 5.356 -2.894 1.00 0.00 C ATOM 0 H MET A 78 -4.225 11.325 -3.099 1.00 0.00 H new ATOM 0 HA MET A 78 -6.294 9.456 -3.748 1.00 0.00 H new ATOM 0 HB2 MET A 78 -3.897 9.577 -2.232 1.00 0.00 H new ATOM 0 HB3 MET A 78 -5.174 9.258 -1.075 1.00 0.00 H new ATOM 0 HG2 MET A 78 -5.803 7.241 -2.139 1.00 0.00 H new ATOM 0 HG3 MET A 78 -4.955 7.648 -3.617 1.00 0.00 H new ATOM 0 HE1 MET A 78 -2.951 4.582 -2.424 1.00 0.00 H new ATOM 0 HE2 MET A 78 -4.596 5.026 -2.940 1.00 0.00 H new ATOM 0 HE3 MET A 78 -3.191 5.542 -3.903 1.00 0.00 H new ATOM 1256 N GLU A 79 -7.602 9.626 -1.337 1.00 0.00 N ATOM 1257 CA GLU A 79 -8.753 9.906 -0.509 1.00 0.00 C ATOM 1258 C GLU A 79 -8.710 9.010 0.702 1.00 0.00 C ATOM 1259 O GLU A 79 -8.179 7.899 0.640 1.00 0.00 O ATOM 1260 CB GLU A 79 -10.046 9.644 -1.289 1.00 0.00 C ATOM 1261 CG GLU A 79 -10.252 10.558 -2.482 1.00 0.00 C ATOM 1262 CD GLU A 79 -10.741 11.940 -2.095 1.00 0.00 C ATOM 1263 OE1 GLU A 79 -10.178 12.546 -1.164 1.00 0.00 O ATOM 1264 OE2 GLU A 79 -11.689 12.437 -2.741 1.00 0.00 O ATOM 0 H GLU A 79 -7.299 8.652 -1.305 1.00 0.00 H new ATOM 0 HA GLU A 79 -8.733 10.953 -0.205 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -10.045 8.610 -1.634 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -10.893 9.753 -0.612 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -9.313 10.651 -3.027 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -10.972 10.102 -3.162 1.00 0.00 H new ATOM 1271 N ASP A 80 -9.242 9.473 1.806 1.00 0.00 N ATOM 1272 CA ASP A 80 -9.288 8.663 3.005 1.00 0.00 C ATOM 1273 C ASP A 80 -10.321 7.573 2.846 1.00 0.00 C ATOM 1274 O ASP A 80 -11.346 7.774 2.195 1.00 0.00 O ATOM 1275 CB ASP A 80 -9.603 9.511 4.246 1.00 0.00 C ATOM 1276 CG ASP A 80 -10.900 10.283 4.125 1.00 0.00 C ATOM 1277 OD1 ASP A 80 -10.870 11.430 3.626 1.00 0.00 O ATOM 1278 OD2 ASP A 80 -11.951 9.760 4.542 1.00 0.00 O ATOM 0 H ASP A 80 -9.649 10.403 1.903 1.00 0.00 H new ATOM 0 HA ASP A 80 -8.304 8.216 3.149 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -9.654 8.861 5.119 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -8.785 10.211 4.417 1.00 0.00 H new ATOM 1283 N GLU A 81 -10.029 6.397 3.400 1.00 0.00 N ATOM 1284 CA GLU A 81 -10.936 5.254 3.375 1.00 0.00 C ATOM 1285 C GLU A 81 -11.104 4.691 1.964 1.00 0.00 C ATOM 1286 O GLU A 81 -12.013 3.899 1.703 1.00 0.00 O ATOM 1287 CB GLU A 81 -12.285 5.637 3.979 1.00 0.00 C ATOM 1288 CG GLU A 81 -12.170 6.159 5.402 1.00 0.00 C ATOM 1289 CD GLU A 81 -11.911 5.065 6.409 1.00 0.00 C ATOM 1290 OE1 GLU A 81 -10.849 4.424 6.338 1.00 0.00 O ATOM 1291 OE2 GLU A 81 -12.775 4.839 7.285 1.00 0.00 O ATOM 0 H GLU A 81 -9.150 6.211 3.882 1.00 0.00 H new ATOM 0 HA GLU A 81 -10.494 4.463 3.981 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -12.754 6.398 3.355 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -12.942 4.767 3.969 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -11.363 6.890 5.451 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -13.089 6.681 5.668 1.00 0.00 H new ATOM 1298 N ASP A 82 -10.219 5.077 1.051 1.00 0.00 N ATOM 1299 CA ASP A 82 -10.298 4.575 -0.313 1.00 0.00 C ATOM 1300 C ASP A 82 -9.527 3.261 -0.433 1.00 0.00 C ATOM 1301 O ASP A 82 -8.856 2.837 0.517 1.00 0.00 O ATOM 1302 CB ASP A 82 -9.781 5.606 -1.318 1.00 0.00 C ATOM 1303 CG ASP A 82 -10.518 5.524 -2.642 1.00 0.00 C ATOM 1304 OD1 ASP A 82 -10.310 4.547 -3.388 1.00 0.00 O ATOM 1305 OD2 ASP A 82 -11.326 6.427 -2.931 1.00 0.00 O ATOM 0 H ASP A 82 -9.451 5.725 1.227 1.00 0.00 H new ATOM 0 HA ASP A 82 -11.346 4.389 -0.549 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -9.893 6.607 -0.901 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -8.716 5.448 -1.485 1.00 0.00 H new ATOM 1310 N THR A 83 -9.605 2.614 -1.581 1.00 0.00 N ATOM 1311 CA THR A 83 -8.990 1.315 -1.749 1.00 0.00 C ATOM 1312 C THR A 83 -8.047 1.256 -2.961 1.00 0.00 C ATOM 1313 O THR A 83 -8.309 1.838 -4.013 1.00 0.00 O ATOM 1314 CB THR A 83 -10.073 0.222 -1.880 1.00 0.00 C ATOM 1315 OG1 THR A 83 -10.990 0.325 -0.783 1.00 0.00 O ATOM 1316 CG2 THR A 83 -9.456 -1.165 -1.880 1.00 0.00 C ATOM 0 H THR A 83 -10.087 2.967 -2.408 1.00 0.00 H new ATOM 0 HA THR A 83 -8.387 1.137 -0.859 1.00 0.00 H new ATOM 0 HB THR A 83 -10.594 0.371 -2.826 1.00 0.00 H new ATOM 0 HG1 THR A 83 -11.679 -0.367 -0.866 1.00 0.00 H new ATOM 0 HG21 THR A 83 -10.243 -1.913 -1.973 1.00 0.00 H new ATOM 0 HG22 THR A 83 -8.767 -1.257 -2.719 1.00 0.00 H new ATOM 0 HG23 THR A 83 -8.915 -1.322 -0.947 1.00 0.00 H new ATOM 1324 N ILE A 84 -6.948 0.534 -2.790 1.00 0.00 N ATOM 1325 CA ILE A 84 -5.975 0.321 -3.841 1.00 0.00 C ATOM 1326 C ILE A 84 -6.195 -1.057 -4.439 1.00 0.00 C ATOM 1327 O ILE A 84 -6.346 -2.041 -3.711 1.00 0.00 O ATOM 1328 CB ILE A 84 -4.503 0.427 -3.333 1.00 0.00 C ATOM 1329 CG1 ILE A 84 -4.160 1.855 -2.885 1.00 0.00 C ATOM 1330 CG2 ILE A 84 -3.531 -0.024 -4.411 1.00 0.00 C ATOM 1331 CD1 ILE A 84 -4.696 2.229 -1.521 1.00 0.00 C ATOM 0 H ILE A 84 -6.709 0.078 -1.909 1.00 0.00 H new ATOM 0 HA ILE A 84 -6.118 1.105 -4.585 1.00 0.00 H new ATOM 0 HB ILE A 84 -4.410 -0.231 -2.469 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -3.076 1.970 -2.880 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -4.552 2.557 -3.621 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -2.510 0.057 -4.038 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -3.738 -1.060 -4.677 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -3.646 0.607 -5.292 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -4.407 3.253 -1.285 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -5.783 2.150 -1.523 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -4.284 1.554 -0.771 1.00 0.00 H new ATOM 1343 N ASP A 85 -6.216 -1.136 -5.747 1.00 0.00 N ATOM 1344 CA ASP A 85 -6.453 -2.389 -6.437 1.00 0.00 C ATOM 1345 C ASP A 85 -5.143 -3.105 -6.710 1.00 0.00 C ATOM 1346 O ASP A 85 -4.257 -2.573 -7.372 1.00 0.00 O ATOM 1347 CB ASP A 85 -7.199 -2.142 -7.752 1.00 0.00 C ATOM 1348 CG ASP A 85 -8.538 -1.472 -7.542 1.00 0.00 C ATOM 1349 OD1 ASP A 85 -9.489 -2.156 -7.111 1.00 0.00 O ATOM 1350 OD2 ASP A 85 -8.652 -0.257 -7.812 1.00 0.00 O ATOM 0 H ASP A 85 -6.070 -0.338 -6.366 1.00 0.00 H new ATOM 0 HA ASP A 85 -7.068 -3.020 -5.796 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -6.584 -1.521 -8.404 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -7.348 -3.092 -8.265 1.00 0.00 H new ATOM 1355 N VAL A 86 -4.998 -4.302 -6.180 1.00 0.00 N ATOM 1356 CA VAL A 86 -3.790 -5.075 -6.387 1.00 0.00 C ATOM 1357 C VAL A 86 -4.026 -6.240 -7.338 1.00 0.00 C ATOM 1358 O VAL A 86 -5.015 -6.976 -7.226 1.00 0.00 O ATOM 1359 CB VAL A 86 -3.207 -5.592 -5.050 1.00 0.00 C ATOM 1360 CG1 VAL A 86 -2.115 -6.623 -5.288 1.00 0.00 C ATOM 1361 CG2 VAL A 86 -2.664 -4.436 -4.242 1.00 0.00 C ATOM 0 H VAL A 86 -5.702 -4.761 -5.602 1.00 0.00 H new ATOM 0 HA VAL A 86 -3.063 -4.402 -6.841 1.00 0.00 H new ATOM 0 HB VAL A 86 -4.010 -6.075 -4.493 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -1.725 -6.967 -4.330 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -2.527 -7.469 -5.838 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -1.309 -6.172 -5.867 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -2.256 -4.809 -3.303 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -1.877 -3.935 -4.806 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -3.467 -3.729 -4.033 1.00 0.00 H new ATOM 1371 N PHE A 87 -3.086 -6.437 -8.250 1.00 0.00 N ATOM 1372 CA PHE A 87 -3.175 -7.487 -9.251 1.00 0.00 C ATOM 1373 C PHE A 87 -1.838 -8.193 -9.338 1.00 0.00 C ATOM 1374 O PHE A 87 -0.830 -7.692 -8.824 1.00 0.00 O ATOM 1375 CB PHE A 87 -3.529 -6.901 -10.623 1.00 0.00 C ATOM 1376 CG PHE A 87 -4.756 -6.044 -10.634 1.00 0.00 C ATOM 1377 CD1 PHE A 87 -4.670 -4.696 -10.343 1.00 0.00 C ATOM 1378 CD2 PHE A 87 -5.996 -6.581 -10.936 1.00 0.00 C ATOM 1379 CE1 PHE A 87 -5.787 -3.901 -10.350 1.00 0.00 C ATOM 1380 CE2 PHE A 87 -7.123 -5.788 -10.944 1.00 0.00 C ATOM 1381 CZ PHE A 87 -7.019 -4.444 -10.650 1.00 0.00 C ATOM 0 H PHE A 87 -2.239 -5.872 -8.316 1.00 0.00 H new ATOM 0 HA PHE A 87 -3.958 -8.188 -8.962 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -2.685 -6.310 -10.980 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -3.667 -7.720 -11.329 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -3.709 -4.263 -10.107 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -6.081 -7.632 -11.168 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -5.702 -2.849 -10.121 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -8.085 -6.218 -11.180 1.00 0.00 H new ATOM 0 HZ PHE A 87 -7.900 -3.819 -10.655 1.00 0.00 H new ATOM 1391 N GLN A 88 -1.805 -9.344 -9.971 1.00 0.00 N ATOM 1392 CA GLN A 88 -0.563 -10.065 -10.145 1.00 0.00 C ATOM 1393 C GLN A 88 -0.108 -9.985 -11.594 1.00 0.00 C ATOM 1394 O GLN A 88 -0.731 -10.551 -12.485 1.00 0.00 O ATOM 1395 CB GLN A 88 -0.707 -11.533 -9.718 1.00 0.00 C ATOM 1396 CG GLN A 88 -0.471 -11.805 -8.234 1.00 0.00 C ATOM 1397 CD GLN A 88 -1.572 -11.278 -7.326 1.00 0.00 C ATOM 1398 OE1 GLN A 88 -2.561 -11.961 -7.069 1.00 0.00 O ATOM 1399 NE2 GLN A 88 -1.395 -10.077 -6.812 1.00 0.00 N ATOM 0 H GLN A 88 -2.623 -9.801 -10.374 1.00 0.00 H new ATOM 0 HA GLN A 88 0.188 -9.599 -9.507 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -1.709 -11.874 -9.978 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -0.005 -12.134 -10.297 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -0.373 -12.880 -8.083 1.00 0.00 H new ATOM 0 HG3 GLN A 88 0.476 -11.354 -7.939 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -0.561 -9.539 -7.048 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -2.092 -9.686 -6.178 1.00 0.00 H new