USER MOD reduce.3.24.130724 H: found=0, std=0, add=738, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 737 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 61 THR OG1 : rot 22:sc= -3.62! USER MOD Set 1.2: A 62 HIS : no HD1:sc= -14.2! C(o=-18!,f=-11!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 MET CE :methyl -152:sc=-0.00308 (180deg=-1.74) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.00545 USER MOD Single : A 42 MET CE :methyl -164:sc= -2.78! (180deg=-3.02) USER MOD Single : A 48 LYS NZ :NH3+ 150:sc= 0.69 (180deg=0.0745) USER MOD Single : A 54 ASN : amide:sc= -0.112 K(o=-0.11,f=-1.7!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -1.13 X(o=-1.1,f=-0.96) USER MOD Single : A 68 ASN : amide:sc= -13.5! C(o=-14!,f=-26!) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= -0.282 K(o=-0.28,f=-2.1!) USER MOD Single : A 80 GLN : amide:sc= -1.72 X(o=-1.7,f=-2.1) USER MOD Single : A 81 LYS NZ :NH3+ -122:sc= 0 (180deg=-0.014) USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 41:sc= 0.146 USER MOD Single : A 87 GLN : amide:sc= -0.0153 X(o=-0.015,f=-0.012) USER MOD Single : A 94 SER OG : rot 180:sc= -0.824! USER MOD Single : A 99 CYS SG : rot 128:sc= -3.42! USER MOD Single : A 104 LYS NZ :NH3+ -161:sc= 0.482 (180deg=0.244) USER MOD Single : A 108 MET CE :methyl 171:sc= -2.03! (180deg=-2.1!) USER MOD Single : A 109 THR OG1 : rot 180:sc= -0.362 USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 HIS : no HE2:sc= -4.48! C(o=-4.3!,f=-7.1!) USER MOD Single : A 113 GLN : amide:sc= 0.251 K(o=0.25,f=-0.38) USER MOD ----------------------------------------------------------------- ATOM 298 N LEU A 24 -0.208 4.791 -12.297 1.00 0.00 N ATOM 299 CA LEU A 24 0.048 4.867 -10.869 1.00 0.00 C ATOM 300 C LEU A 24 -1.261 4.642 -10.108 1.00 0.00 C ATOM 301 O LEU A 24 -1.741 5.537 -9.414 1.00 0.00 O ATOM 302 CB LEU A 24 0.744 6.183 -10.518 1.00 0.00 C ATOM 303 CG LEU A 24 1.846 6.097 -9.460 1.00 0.00 C ATOM 304 CD1 LEU A 24 1.265 5.739 -8.091 1.00 0.00 C ATOM 305 CD2 LEU A 24 2.944 5.121 -9.890 1.00 0.00 C ATOM 0 HA LEU A 24 0.735 4.078 -10.563 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.174 6.598 -11.429 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -0.011 6.889 -10.172 1.00 0.00 H new ATOM 0 HG LEU A 24 2.307 7.080 -9.367 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.069 5.684 -7.357 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.549 6.503 -7.788 1.00 0.00 H new ATOM 0 HD13 LEU A 24 0.762 4.774 -8.150 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.715 5.079 -9.121 1.00 0.00 H new ATOM 0 HD22 LEU A 24 2.515 4.129 -10.029 1.00 0.00 H new ATOM 0 HD23 LEU A 24 3.385 5.460 -10.827 1.00 0.00 H new ATOM 317 N VAL A 25 -1.801 3.442 -10.265 1.00 0.00 N ATOM 318 CA VAL A 25 -3.045 3.089 -9.602 1.00 0.00 C ATOM 319 C VAL A 25 -2.749 2.679 -8.158 1.00 0.00 C ATOM 320 O VAL A 25 -2.027 1.713 -7.918 1.00 0.00 O ATOM 321 CB VAL A 25 -3.769 2.000 -10.396 1.00 0.00 C ATOM 322 CG1 VAL A 25 -5.245 1.921 -9.997 1.00 0.00 C ATOM 323 CG2 VAL A 25 -3.619 2.226 -11.901 1.00 0.00 C ATOM 0 H VAL A 25 -1.400 2.702 -10.841 1.00 0.00 H new ATOM 0 HA VAL A 25 -3.716 3.947 -9.565 1.00 0.00 H new ATOM 0 HB VAL A 25 -3.304 1.044 -10.154 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -5.737 1.139 -10.576 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -5.323 1.689 -8.935 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -5.727 2.878 -10.196 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -4.143 1.438 -12.441 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -4.044 3.193 -12.168 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -2.562 2.208 -12.168 1.00 0.00 H new ATOM 333 N VAL A 26 -3.322 3.436 -7.233 1.00 0.00 N ATOM 334 CA VAL A 26 -3.129 3.164 -5.819 1.00 0.00 C ATOM 335 C VAL A 26 -4.444 2.666 -5.216 1.00 0.00 C ATOM 336 O VAL A 26 -5.468 3.341 -5.307 1.00 0.00 O ATOM 337 CB VAL A 26 -2.583 4.408 -5.117 1.00 0.00 C ATOM 338 CG1 VAL A 26 -2.431 4.167 -3.613 1.00 0.00 C ATOM 339 CG2 VAL A 26 -1.256 4.850 -5.738 1.00 0.00 C ATOM 0 H VAL A 26 -3.920 4.237 -7.436 1.00 0.00 H new ATOM 0 HA VAL A 26 -2.388 2.377 -5.679 1.00 0.00 H new ATOM 0 HB VAL A 26 -3.303 5.214 -5.256 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.041 5.067 -3.138 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -3.402 3.922 -3.184 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.741 3.340 -3.445 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -0.889 5.737 -5.220 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -0.525 4.047 -5.644 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.407 5.082 -6.792 1.00 0.00 H new ATOM 349 N PHE A 27 -4.373 1.488 -4.613 1.00 0.00 N ATOM 350 CA PHE A 27 -5.545 0.891 -3.995 1.00 0.00 C ATOM 351 C PHE A 27 -5.350 0.738 -2.485 1.00 0.00 C ATOM 352 O PHE A 27 -4.528 -0.061 -2.039 1.00 0.00 O ATOM 353 CB PHE A 27 -5.722 -0.495 -4.618 1.00 0.00 C ATOM 354 CG PHE A 27 -6.867 -1.308 -4.010 1.00 0.00 C ATOM 355 CD1 PHE A 27 -6.637 -2.109 -2.936 1.00 0.00 C ATOM 356 CD2 PHE A 27 -8.115 -1.229 -4.544 1.00 0.00 C ATOM 357 CE1 PHE A 27 -7.700 -2.864 -2.372 1.00 0.00 C ATOM 358 CE2 PHE A 27 -9.178 -1.983 -3.981 1.00 0.00 C ATOM 359 CZ PHE A 27 -8.948 -2.785 -2.906 1.00 0.00 C ATOM 0 H PHE A 27 -3.522 0.931 -4.539 1.00 0.00 H new ATOM 0 HA PHE A 27 -6.416 1.525 -4.159 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -5.898 -0.382 -5.688 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -4.793 -1.054 -4.506 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -5.646 -2.171 -2.511 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -8.298 -0.592 -5.397 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -7.517 -3.501 -1.519 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -10.169 -1.920 -4.406 1.00 0.00 H new ATOM 0 HZ PHE A 27 -9.756 -3.359 -2.477 1.00 0.00 H new ATOM 369 N ILE A 28 -6.121 1.516 -1.739 1.00 0.00 N ATOM 370 CA ILE A 28 -6.044 1.477 -0.289 1.00 0.00 C ATOM 371 C ILE A 28 -6.846 0.281 0.228 1.00 0.00 C ATOM 372 O ILE A 28 -7.921 -0.020 -0.288 1.00 0.00 O ATOM 373 CB ILE A 28 -6.483 2.816 0.307 1.00 0.00 C ATOM 374 CG1 ILE A 28 -5.611 3.960 -0.213 1.00 0.00 C ATOM 375 CG2 ILE A 28 -6.498 2.757 1.836 1.00 0.00 C ATOM 376 CD1 ILE A 28 -6.036 5.296 0.399 1.00 0.00 C ATOM 0 H ILE A 28 -6.802 2.177 -2.112 1.00 0.00 H new ATOM 0 HA ILE A 28 -5.013 1.333 0.034 1.00 0.00 H new ATOM 0 HB ILE A 28 -7.504 3.016 -0.018 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -4.566 3.763 0.026 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -5.685 4.014 -1.299 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -6.813 3.721 2.234 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -7.193 1.984 2.163 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -5.498 2.523 2.201 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -5.400 6.092 0.012 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -7.074 5.502 0.138 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -5.937 5.247 1.483 1.00 0.00 H new ATOM 388 N LEU A 29 -6.292 -0.369 1.241 1.00 0.00 N ATOM 389 CA LEU A 29 -6.943 -1.525 1.834 1.00 0.00 C ATOM 390 C LEU A 29 -7.683 -1.094 3.101 1.00 0.00 C ATOM 391 O LEU A 29 -7.059 -0.789 4.116 1.00 0.00 O ATOM 392 CB LEU A 29 -5.931 -2.649 2.065 1.00 0.00 C ATOM 393 CG LEU A 29 -6.510 -3.989 2.525 1.00 0.00 C ATOM 394 CD1 LEU A 29 -7.159 -4.735 1.359 1.00 0.00 C ATOM 395 CD2 LEU A 29 -5.444 -4.835 3.225 1.00 0.00 C ATOM 0 H LEU A 29 -5.400 -0.117 1.666 1.00 0.00 H new ATOM 0 HA LEU A 29 -7.689 -1.934 1.152 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -5.381 -2.812 1.138 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -5.209 -2.313 2.809 1.00 0.00 H new ATOM 0 HG LEU A 29 -7.294 -3.790 3.255 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -7.562 -5.684 1.713 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -7.965 -4.130 0.944 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -6.413 -4.924 0.587 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -5.881 -5.782 3.542 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -4.622 -5.028 2.536 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -5.069 -4.299 4.097 1.00 0.00 H new ATOM 407 N GLU A 30 -9.005 -1.083 3.001 1.00 0.00 N ATOM 408 CA GLU A 30 -9.837 -0.695 4.127 1.00 0.00 C ATOM 409 C GLU A 30 -9.410 -1.450 5.388 1.00 0.00 C ATOM 410 O GLU A 30 -9.309 -0.862 6.463 1.00 0.00 O ATOM 411 CB GLU A 30 -11.317 -0.931 3.822 1.00 0.00 C ATOM 412 CG GLU A 30 -12.159 -0.860 5.097 1.00 0.00 C ATOM 413 CD GLU A 30 -12.367 -2.252 5.696 1.00 0.00 C ATOM 414 OE1 GLU A 30 -12.771 -3.148 4.923 1.00 0.00 O ATOM 415 OE2 GLU A 30 -12.116 -2.390 6.913 1.00 0.00 O ATOM 0 H GLU A 30 -9.520 -1.337 2.158 1.00 0.00 H new ATOM 0 HA GLU A 30 -9.702 0.372 4.303 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -11.668 -0.186 3.108 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -11.444 -1.906 3.352 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -11.667 -0.216 5.826 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -13.126 -0.408 4.874 1.00 0.00 H new ATOM 422 N LYS A 31 -9.172 -2.742 5.214 1.00 0.00 N ATOM 423 CA LYS A 31 -8.759 -3.583 6.324 1.00 0.00 C ATOM 424 C LYS A 31 -7.720 -2.837 7.164 1.00 0.00 C ATOM 425 O LYS A 31 -6.753 -2.298 6.628 1.00 0.00 O ATOM 426 CB LYS A 31 -8.276 -4.943 5.815 1.00 0.00 C ATOM 427 CG LYS A 31 -9.437 -5.755 5.237 1.00 0.00 C ATOM 428 CD LYS A 31 -9.347 -5.830 3.712 1.00 0.00 C ATOM 429 CE LYS A 31 -10.702 -6.193 3.100 1.00 0.00 C ATOM 430 NZ LYS A 31 -11.267 -5.038 2.368 1.00 0.00 N ATOM 0 H LYS A 31 -9.257 -3.227 4.321 1.00 0.00 H new ATOM 0 HA LYS A 31 -9.606 -3.795 6.977 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -7.512 -4.799 5.051 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -7.811 -5.496 6.631 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -9.426 -6.761 5.656 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -10.384 -5.300 5.527 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -9.010 -4.872 3.316 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -8.603 -6.573 3.424 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -10.587 -7.039 2.423 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -11.390 -6.505 3.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -12.186 -5.302 1.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -11.396 -4.241 3.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -10.617 -4.758 1.606 1.00 0.00 H new ATOM 444 N LYS A 32 -7.956 -2.829 8.468 1.00 0.00 N ATOM 445 CA LYS A 32 -7.053 -2.158 9.388 1.00 0.00 C ATOM 446 C LYS A 32 -7.023 -0.663 9.066 1.00 0.00 C ATOM 447 O LYS A 32 -5.952 -0.083 8.895 1.00 0.00 O ATOM 448 CB LYS A 32 -5.674 -2.821 9.363 1.00 0.00 C ATOM 449 CG LYS A 32 -5.670 -4.111 10.185 1.00 0.00 C ATOM 450 CD LYS A 32 -4.848 -5.200 9.493 1.00 0.00 C ATOM 451 CE LYS A 32 -4.149 -6.094 10.519 1.00 0.00 C ATOM 452 NZ LYS A 32 -4.833 -7.403 10.618 1.00 0.00 N ATOM 0 H LYS A 32 -8.759 -3.276 8.909 1.00 0.00 H new ATOM 0 HA LYS A 32 -7.410 -2.256 10.413 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -5.391 -3.041 8.334 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -4.928 -2.132 9.758 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -5.259 -3.914 11.175 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -6.693 -4.458 10.328 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -5.498 -5.805 8.861 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -4.106 -4.741 8.840 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -3.108 -6.242 10.232 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -4.145 -5.605 11.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -4.346 -7.997 11.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -5.820 -7.258 10.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -4.815 -7.875 9.691 1.00 0.00 H new ATOM 466 N MET A 33 -8.211 -0.082 8.994 1.00 0.00 N ATOM 467 CA MET A 33 -8.334 1.335 8.696 1.00 0.00 C ATOM 468 C MET A 33 -9.802 1.767 8.683 1.00 0.00 C ATOM 469 O MET A 33 -10.257 2.457 9.594 1.00 0.00 O ATOM 470 CB MET A 33 -7.705 1.627 7.332 1.00 0.00 C ATOM 471 CG MET A 33 -7.705 3.128 7.038 1.00 0.00 C ATOM 472 SD MET A 33 -7.416 3.410 5.299 1.00 0.00 S ATOM 473 CE MET A 33 -5.725 2.850 5.172 1.00 0.00 C ATOM 0 H MET A 33 -9.097 -0.566 9.137 1.00 0.00 H new ATOM 0 HA MET A 33 -7.815 1.896 9.473 1.00 0.00 H new ATOM 0 HB2 MET A 33 -6.683 1.249 7.310 1.00 0.00 H new ATOM 0 HB3 MET A 33 -8.256 1.100 6.553 1.00 0.00 H new ATOM 0 HG2 MET A 33 -8.660 3.564 7.332 1.00 0.00 H new ATOM 0 HG3 MET A 33 -6.933 3.622 7.628 1.00 0.00 H new ATOM 0 HE1 MET A 33 -5.227 3.378 4.358 1.00 0.00 H new ATOM 0 HE2 MET A 33 -5.204 3.052 6.108 1.00 0.00 H new ATOM 0 HE3 MET A 33 -5.711 1.779 4.972 1.00 0.00 H new ATOM 483 N GLY A 34 -10.502 1.343 7.641 1.00 0.00 N ATOM 484 CA GLY A 34 -11.909 1.678 7.499 1.00 0.00 C ATOM 485 C GLY A 34 -12.194 2.268 6.116 1.00 0.00 C ATOM 486 O GLY A 34 -11.329 2.258 5.242 1.00 0.00 O ATOM 0 H GLY A 34 -10.121 0.771 6.887 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -12.516 0.786 7.650 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -12.196 2.393 8.270 1.00 0.00 H new ATOM 490 N THR A 35 -13.411 2.769 5.962 1.00 0.00 N ATOM 491 CA THR A 35 -13.822 3.362 4.701 1.00 0.00 C ATOM 492 C THR A 35 -13.494 4.857 4.683 1.00 0.00 C ATOM 493 O THR A 35 -12.870 5.348 3.744 1.00 0.00 O ATOM 494 CB THR A 35 -15.309 3.064 4.499 1.00 0.00 C ATOM 495 OG1 THR A 35 -15.356 1.653 4.302 1.00 0.00 O ATOM 496 CG2 THR A 35 -15.850 3.642 3.190 1.00 0.00 C ATOM 0 H THR A 35 -14.126 2.776 6.690 1.00 0.00 H new ATOM 0 HA THR A 35 -13.273 2.930 3.864 1.00 0.00 H new ATOM 0 HB THR A 35 -15.877 3.469 5.336 1.00 0.00 H new ATOM 0 HG1 THR A 35 -16.285 1.373 4.165 1.00 0.00 H new ATOM 0 HG21 THR A 35 -16.909 3.402 3.096 1.00 0.00 H new ATOM 0 HG22 THR A 35 -15.722 4.724 3.190 1.00 0.00 H new ATOM 0 HG23 THR A 35 -15.305 3.212 2.350 1.00 0.00 H new ATOM 504 N THR A 36 -13.930 5.538 5.732 1.00 0.00 N ATOM 505 CA THR A 36 -13.691 6.966 5.849 1.00 0.00 C ATOM 506 C THR A 36 -12.258 7.303 5.433 1.00 0.00 C ATOM 507 O THR A 36 -12.039 7.917 4.390 1.00 0.00 O ATOM 508 CB THR A 36 -14.022 7.385 7.283 1.00 0.00 C ATOM 509 OG1 THR A 36 -15.400 7.058 7.432 1.00 0.00 O ATOM 510 CG2 THR A 36 -13.976 8.903 7.475 1.00 0.00 C ATOM 0 H THR A 36 -14.448 5.127 6.509 1.00 0.00 H new ATOM 0 HA THR A 36 -14.333 7.531 5.173 1.00 0.00 H new ATOM 0 HB THR A 36 -13.321 6.911 7.970 1.00 0.00 H new ATOM 0 HG1 THR A 36 -15.697 7.296 8.335 1.00 0.00 H new ATOM 0 HG21 THR A 36 -14.218 9.146 8.509 1.00 0.00 H new ATOM 0 HG22 THR A 36 -12.976 9.269 7.241 1.00 0.00 H new ATOM 0 HG23 THR A 36 -14.700 9.376 6.812 1.00 0.00 H new ATOM 518 N ARG A 37 -11.319 6.887 6.270 1.00 0.00 N ATOM 519 CA ARG A 37 -9.913 7.137 6.002 1.00 0.00 C ATOM 520 C ARG A 37 -9.532 6.598 4.621 1.00 0.00 C ATOM 521 O ARG A 37 -9.013 7.336 3.785 1.00 0.00 O ATOM 522 CB ARG A 37 -9.025 6.480 7.061 1.00 0.00 C ATOM 523 CG ARG A 37 -8.451 7.525 8.020 1.00 0.00 C ATOM 524 CD ARG A 37 -6.960 7.285 8.262 1.00 0.00 C ATOM 525 NE ARG A 37 -6.399 8.379 9.087 1.00 0.00 N ATOM 526 CZ ARG A 37 -5.088 8.601 9.250 1.00 0.00 C ATOM 527 NH1 ARG A 37 -4.194 7.807 8.645 1.00 0.00 N ATOM 528 NH2 ARG A 37 -4.671 9.617 10.017 1.00 0.00 N ATOM 0 H ARG A 37 -11.504 6.378 7.134 1.00 0.00 H new ATOM 0 HA ARG A 37 -9.756 8.215 6.031 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -9.604 5.746 7.621 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -8.211 5.941 6.575 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -8.600 8.523 7.608 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -8.988 7.488 8.968 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -6.814 6.328 8.764 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -6.433 7.229 7.310 1.00 0.00 H new ATOM 0 HE ARG A 37 -7.052 9.003 9.561 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -4.512 7.034 8.061 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -3.196 7.976 8.769 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -5.352 10.222 10.477 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -3.673 9.786 10.141 1.00 0.00 H new ATOM 542 N ARG A 38 -9.805 5.316 4.426 1.00 0.00 N ATOM 543 CA ARG A 38 -9.497 4.670 3.161 1.00 0.00 C ATOM 544 C ARG A 38 -9.894 5.575 1.993 1.00 0.00 C ATOM 545 O ARG A 38 -9.049 5.961 1.187 1.00 0.00 O ATOM 546 CB ARG A 38 -10.229 3.333 3.033 1.00 0.00 C ATOM 547 CG ARG A 38 -10.198 2.826 1.590 1.00 0.00 C ATOM 548 CD ARG A 38 -10.632 1.361 1.513 1.00 0.00 C ATOM 549 NE ARG A 38 -10.365 0.824 0.160 1.00 0.00 N ATOM 550 CZ ARG A 38 -11.007 -0.224 -0.372 1.00 0.00 C ATOM 551 NH1 ARG A 38 -11.959 -0.854 0.330 1.00 0.00 N ATOM 552 NH2 ARG A 38 -10.699 -0.642 -1.608 1.00 0.00 N ATOM 0 H ARG A 38 -10.236 4.708 5.122 1.00 0.00 H new ATOM 0 HA ARG A 38 -8.423 4.487 3.135 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -9.767 2.597 3.691 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -11.263 3.448 3.360 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -10.856 3.437 0.972 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -9.192 2.932 1.185 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -10.095 0.774 2.258 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -11.694 1.275 1.744 1.00 0.00 H new ATOM 0 HE ARG A 38 -9.647 1.281 -0.403 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -12.195 -0.535 1.270 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -12.448 -1.652 -0.076 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -9.976 -0.162 -2.143 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -11.188 -1.440 -2.013 1.00 0.00 H new ATOM 566 N ALA A 39 -11.181 5.886 1.938 1.00 0.00 N ATOM 567 CA ALA A 39 -11.701 6.738 0.881 1.00 0.00 C ATOM 568 C ALA A 39 -10.987 8.090 0.925 1.00 0.00 C ATOM 569 O ALA A 39 -10.454 8.548 -0.084 1.00 0.00 O ATOM 570 CB ALA A 39 -13.217 6.873 1.034 1.00 0.00 C ATOM 0 H ALA A 39 -11.879 5.563 2.608 1.00 0.00 H new ATOM 0 HA ALA A 39 -11.511 6.297 -0.097 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -13.607 7.512 0.242 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -13.679 5.888 0.966 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -13.447 7.316 2.003 1.00 0.00 H new ATOM 576 N LEU A 40 -10.999 8.692 2.106 1.00 0.00 N ATOM 577 CA LEU A 40 -10.360 9.983 2.295 1.00 0.00 C ATOM 578 C LEU A 40 -8.990 9.973 1.613 1.00 0.00 C ATOM 579 O LEU A 40 -8.809 10.596 0.568 1.00 0.00 O ATOM 580 CB LEU A 40 -10.305 10.341 3.781 1.00 0.00 C ATOM 581 CG LEU A 40 -9.717 11.713 4.119 1.00 0.00 C ATOM 582 CD1 LEU A 40 -9.765 12.644 2.906 1.00 0.00 C ATOM 583 CD2 LEU A 40 -10.413 12.322 5.337 1.00 0.00 C ATOM 0 H LEU A 40 -11.441 8.309 2.941 1.00 0.00 H new ATOM 0 HA LEU A 40 -10.946 10.772 1.823 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -11.317 10.292 4.184 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.719 9.580 4.296 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.667 11.580 4.381 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -9.341 13.612 3.173 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -9.188 12.208 2.090 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -10.800 12.776 2.589 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -9.976 13.296 5.556 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -11.476 12.439 5.128 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -10.283 11.665 6.197 1.00 0.00 H new ATOM 595 N LEU A 41 -8.061 9.260 2.232 1.00 0.00 N ATOM 596 CA LEU A 41 -6.714 9.161 1.698 1.00 0.00 C ATOM 597 C LEU A 41 -6.784 8.967 0.182 1.00 0.00 C ATOM 598 O LEU A 41 -6.182 9.729 -0.573 1.00 0.00 O ATOM 599 CB LEU A 41 -5.929 8.066 2.423 1.00 0.00 C ATOM 600 CG LEU A 41 -5.376 8.437 3.801 1.00 0.00 C ATOM 601 CD1 LEU A 41 -4.430 9.635 3.707 1.00 0.00 C ATOM 602 CD2 LEU A 41 -6.510 8.679 4.799 1.00 0.00 C ATOM 0 H LEU A 41 -8.215 8.745 3.099 1.00 0.00 H new ATOM 0 HA LEU A 41 -6.165 10.085 1.876 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -6.576 7.196 2.535 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -5.096 7.763 1.789 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.793 7.595 4.174 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.051 9.878 4.700 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -3.596 9.389 3.050 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -4.968 10.493 3.304 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -6.090 8.941 5.770 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -7.139 9.495 4.444 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -7.109 7.774 4.895 1.00 0.00 H new ATOM 614 N MET A 42 -7.522 7.942 -0.218 1.00 0.00 N ATOM 615 CA MET A 42 -7.679 7.638 -1.630 1.00 0.00 C ATOM 616 C MET A 42 -8.020 8.898 -2.428 1.00 0.00 C ATOM 617 O MET A 42 -7.484 9.114 -3.513 1.00 0.00 O ATOM 618 CB MET A 42 -8.790 6.602 -1.809 1.00 0.00 C ATOM 619 CG MET A 42 -8.252 5.182 -1.622 1.00 0.00 C ATOM 620 SD MET A 42 -9.230 4.029 -2.572 1.00 0.00 S ATOM 621 CE MET A 42 -10.867 4.641 -2.212 1.00 0.00 C ATOM 0 H MET A 42 -8.018 7.311 0.412 1.00 0.00 H new ATOM 0 HA MET A 42 -6.736 7.239 -2.004 1.00 0.00 H new ATOM 0 HB2 MET A 42 -9.587 6.790 -1.090 1.00 0.00 H new ATOM 0 HB3 MET A 42 -9.228 6.701 -2.802 1.00 0.00 H new ATOM 0 HG2 MET A 42 -7.210 5.134 -1.938 1.00 0.00 H new ATOM 0 HG3 MET A 42 -8.278 4.910 -0.567 1.00 0.00 H new ATOM 0 HE1 MET A 42 -11.605 3.886 -2.483 1.00 0.00 H new ATOM 0 HE2 MET A 42 -10.947 4.861 -1.148 1.00 0.00 H new ATOM 0 HE3 MET A 42 -11.050 5.550 -2.785 1.00 0.00 H new ATOM 631 N GLU A 43 -8.912 9.696 -1.859 1.00 0.00 N ATOM 632 CA GLU A 43 -9.332 10.929 -2.503 1.00 0.00 C ATOM 633 C GLU A 43 -8.192 11.950 -2.489 1.00 0.00 C ATOM 634 O GLU A 43 -8.006 12.690 -3.454 1.00 0.00 O ATOM 635 CB GLU A 43 -10.585 11.497 -1.835 1.00 0.00 C ATOM 636 CG GLU A 43 -10.608 13.025 -1.921 1.00 0.00 C ATOM 637 CD GLU A 43 -11.970 13.578 -1.499 1.00 0.00 C ATOM 638 OE1 GLU A 43 -12.610 12.922 -0.649 1.00 0.00 O ATOM 639 OE2 GLU A 43 -12.342 14.644 -2.036 1.00 0.00 O ATOM 0 H GLU A 43 -9.355 9.513 -0.959 1.00 0.00 H new ATOM 0 HA GLU A 43 -9.582 10.707 -3.540 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -11.474 11.089 -2.315 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -10.617 11.188 -0.790 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -9.829 13.440 -1.282 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -10.384 13.339 -2.941 1.00 0.00 H new ATOM 646 N LEU A 44 -7.460 11.957 -1.385 1.00 0.00 N ATOM 647 CA LEU A 44 -6.344 12.875 -1.234 1.00 0.00 C ATOM 648 C LEU A 44 -5.333 12.631 -2.356 1.00 0.00 C ATOM 649 O LEU A 44 -4.860 13.576 -2.986 1.00 0.00 O ATOM 650 CB LEU A 44 -5.744 12.762 0.170 1.00 0.00 C ATOM 651 CG LEU A 44 -6.678 13.115 1.329 1.00 0.00 C ATOM 652 CD1 LEU A 44 -5.919 13.837 2.444 1.00 0.00 C ATOM 653 CD2 LEU A 44 -7.880 13.924 0.837 1.00 0.00 C ATOM 0 H LEU A 44 -7.618 11.342 -0.587 1.00 0.00 H new ATOM 0 HA LEU A 44 -6.683 13.906 -1.329 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -5.392 11.740 0.312 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -4.870 13.411 0.223 1.00 0.00 H new ATOM 0 HG LEU A 44 -7.065 12.187 1.751 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -6.606 14.077 3.256 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -5.124 13.192 2.820 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -5.485 14.757 2.052 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -8.528 14.162 1.680 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -7.532 14.848 0.375 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -8.437 13.339 0.105 1.00 0.00 H new ATOM 665 N ALA A 45 -5.030 11.359 -2.571 1.00 0.00 N ATOM 666 CA ALA A 45 -4.084 10.980 -3.606 1.00 0.00 C ATOM 667 C ALA A 45 -4.584 11.488 -4.960 1.00 0.00 C ATOM 668 O ALA A 45 -3.834 12.114 -5.708 1.00 0.00 O ATOM 669 CB ALA A 45 -3.889 9.463 -3.589 1.00 0.00 C ATOM 0 H ALA A 45 -5.423 10.578 -2.046 1.00 0.00 H new ATOM 0 HA ALA A 45 -3.111 11.436 -3.422 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -3.179 9.179 -4.366 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -3.505 9.156 -2.616 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -4.844 8.971 -3.773 1.00 0.00 H new ATOM 675 N ARG A 46 -5.848 11.200 -5.233 1.00 0.00 N ATOM 676 CA ARG A 46 -6.458 11.620 -6.484 1.00 0.00 C ATOM 677 C ARG A 46 -6.160 13.097 -6.750 1.00 0.00 C ATOM 678 O ARG A 46 -5.748 13.463 -7.849 1.00 0.00 O ATOM 679 CB ARG A 46 -7.973 11.410 -6.456 1.00 0.00 C ATOM 680 CG ARG A 46 -8.331 9.961 -6.794 1.00 0.00 C ATOM 681 CD ARG A 46 -9.846 9.787 -6.922 1.00 0.00 C ATOM 682 NE ARG A 46 -10.212 9.570 -8.340 1.00 0.00 N ATOM 683 CZ ARG A 46 -11.473 9.521 -8.791 1.00 0.00 C ATOM 684 NH1 ARG A 46 -12.496 9.672 -7.938 1.00 0.00 N ATOM 685 NH2 ARG A 46 -11.711 9.320 -10.094 1.00 0.00 N ATOM 0 H ARG A 46 -6.467 10.681 -4.610 1.00 0.00 H new ATOM 0 HA ARG A 46 -6.033 11.010 -7.281 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -8.361 11.664 -5.469 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -8.450 12.082 -7.169 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -7.848 9.671 -7.727 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -7.949 9.298 -6.018 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -10.176 8.941 -6.319 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -10.356 10.670 -6.537 1.00 0.00 H new ATOM 0 HE ARG A 46 -9.457 9.450 -9.016 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -12.315 9.824 -6.946 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -13.456 9.635 -8.281 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -10.932 9.204 -10.743 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -12.671 9.283 -10.437 1.00 0.00 H new ATOM 699 N ARG A 47 -6.380 13.907 -5.724 1.00 0.00 N ATOM 700 CA ARG A 47 -6.140 15.335 -5.833 1.00 0.00 C ATOM 701 C ARG A 47 -4.725 15.598 -6.353 1.00 0.00 C ATOM 702 O ARG A 47 -4.460 16.647 -6.938 1.00 0.00 O ATOM 703 CB ARG A 47 -6.316 16.028 -4.480 1.00 0.00 C ATOM 704 CG ARG A 47 -7.796 16.130 -4.104 1.00 0.00 C ATOM 705 CD ARG A 47 -7.967 16.289 -2.592 1.00 0.00 C ATOM 706 NE ARG A 47 -8.379 17.675 -2.273 1.00 0.00 N ATOM 707 CZ ARG A 47 -8.181 18.263 -1.085 1.00 0.00 C ATOM 708 NH1 ARG A 47 -7.576 17.590 -0.097 1.00 0.00 N ATOM 709 NH2 ARG A 47 -8.588 19.524 -0.886 1.00 0.00 N ATOM 0 H ARG A 47 -6.722 13.600 -4.813 1.00 0.00 H new ATOM 0 HA ARG A 47 -6.869 15.741 -6.534 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -5.779 15.473 -3.711 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -5.877 17.025 -4.518 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -8.247 16.980 -4.616 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -8.323 15.238 -4.442 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -8.714 15.585 -2.226 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -7.032 16.053 -2.085 1.00 0.00 H new ATOM 0 HE ARG A 47 -8.842 18.216 -3.003 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -7.266 16.630 -0.249 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -7.425 18.037 0.807 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -9.048 20.036 -1.638 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -8.438 19.972 0.018 1.00 0.00 H new ATOM 723 N LYS A 48 -3.854 14.628 -6.120 1.00 0.00 N ATOM 724 CA LYS A 48 -2.473 14.741 -6.557 1.00 0.00 C ATOM 725 C LYS A 48 -2.378 14.361 -8.036 1.00 0.00 C ATOM 726 O LYS A 48 -1.479 14.816 -8.741 1.00 0.00 O ATOM 727 CB LYS A 48 -1.555 13.919 -5.651 1.00 0.00 C ATOM 728 CG LYS A 48 -1.727 14.322 -4.185 1.00 0.00 C ATOM 729 CD LYS A 48 -1.293 15.771 -3.960 1.00 0.00 C ATOM 730 CE LYS A 48 -1.266 16.110 -2.468 1.00 0.00 C ATOM 731 NZ LYS A 48 -0.317 17.215 -2.205 1.00 0.00 N ATOM 0 H LYS A 48 -4.078 13.760 -5.634 1.00 0.00 H new ATOM 0 HA LYS A 48 -2.129 15.772 -6.469 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -1.777 12.858 -5.769 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -0.517 14.063 -5.952 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -2.770 14.201 -3.891 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -1.138 13.660 -3.551 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -0.304 15.929 -4.390 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -1.977 16.444 -4.477 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -2.265 16.393 -2.135 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -0.977 15.230 -1.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -0.642 17.764 -1.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 0.626 16.823 -2.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -0.267 17.836 -3.038 1.00 0.00 H new ATOM 745 N GLY A 49 -3.319 13.530 -8.462 1.00 0.00 N ATOM 746 CA GLY A 49 -3.353 13.084 -9.844 1.00 0.00 C ATOM 747 C GLY A 49 -3.430 11.558 -9.926 1.00 0.00 C ATOM 748 O GLY A 49 -3.978 11.011 -10.882 1.00 0.00 O ATOM 0 H GLY A 49 -4.063 13.154 -7.874 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -4.213 13.523 -10.350 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -2.463 13.435 -10.365 1.00 0.00 H new ATOM 752 N PHE A 50 -2.874 10.914 -8.910 1.00 0.00 N ATOM 753 CA PHE A 50 -2.873 9.462 -8.855 1.00 0.00 C ATOM 754 C PHE A 50 -4.252 8.899 -9.206 1.00 0.00 C ATOM 755 O PHE A 50 -5.271 9.538 -8.946 1.00 0.00 O ATOM 756 CB PHE A 50 -2.526 9.069 -7.418 1.00 0.00 C ATOM 757 CG PHE A 50 -1.064 9.317 -7.041 1.00 0.00 C ATOM 758 CD1 PHE A 50 -0.067 8.753 -7.775 1.00 0.00 C ATOM 759 CD2 PHE A 50 -0.760 10.102 -5.973 1.00 0.00 C ATOM 760 CE1 PHE A 50 1.290 8.983 -7.425 1.00 0.00 C ATOM 761 CE2 PHE A 50 0.597 10.333 -5.623 1.00 0.00 C ATOM 762 CZ PHE A 50 1.593 9.768 -6.357 1.00 0.00 C ATOM 0 H PHE A 50 -2.421 11.371 -8.119 1.00 0.00 H new ATOM 0 HA PHE A 50 -2.154 9.063 -9.571 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -3.166 9.627 -6.735 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -2.753 8.012 -7.276 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -0.308 8.130 -8.624 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -1.551 10.550 -5.390 1.00 0.00 H new ATOM 0 HE1 PHE A 50 2.081 8.534 -8.007 1.00 0.00 H new ATOM 0 HE2 PHE A 50 0.838 10.957 -4.775 1.00 0.00 H new ATOM 0 HZ PHE A 50 2.625 9.943 -6.091 1.00 0.00 H new ATOM 772 N ARG A 51 -4.240 7.710 -9.790 1.00 0.00 N ATOM 773 CA ARG A 51 -5.477 7.054 -10.179 1.00 0.00 C ATOM 774 C ARG A 51 -5.908 6.055 -9.104 1.00 0.00 C ATOM 775 O ARG A 51 -5.622 4.863 -9.209 1.00 0.00 O ATOM 776 CB ARG A 51 -5.316 6.321 -11.512 1.00 0.00 C ATOM 777 CG ARG A 51 -6.583 5.539 -11.864 1.00 0.00 C ATOM 778 CD ARG A 51 -6.369 4.682 -13.113 1.00 0.00 C ATOM 779 NE ARG A 51 -7.291 5.113 -14.187 1.00 0.00 N ATOM 780 CZ ARG A 51 -8.625 5.007 -14.118 1.00 0.00 C ATOM 781 NH1 ARG A 51 -9.201 4.483 -13.027 1.00 0.00 N ATOM 782 NH2 ARG A 51 -9.384 5.424 -15.141 1.00 0.00 N ATOM 0 H ARG A 51 -3.393 7.183 -10.003 1.00 0.00 H new ATOM 0 HA ARG A 51 -6.240 7.824 -10.291 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -5.096 7.039 -12.302 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -4.467 5.639 -11.456 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -6.866 4.902 -11.026 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -7.408 6.232 -12.031 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -5.337 4.770 -13.452 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -6.539 3.632 -12.877 1.00 0.00 H new ATOM 0 HE ARG A 51 -6.886 5.516 -15.032 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -8.624 4.165 -12.249 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -10.217 4.403 -12.975 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -8.946 5.822 -15.972 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -10.399 5.343 -15.089 1.00 0.00 H new ATOM 796 N VAL A 52 -6.589 6.577 -8.094 1.00 0.00 N ATOM 797 CA VAL A 52 -7.063 5.745 -7.001 1.00 0.00 C ATOM 798 C VAL A 52 -8.333 5.012 -7.437 1.00 0.00 C ATOM 799 O VAL A 52 -9.089 5.513 -8.268 1.00 0.00 O ATOM 800 CB VAL A 52 -7.265 6.596 -5.746 1.00 0.00 C ATOM 801 CG1 VAL A 52 -7.684 5.729 -4.557 1.00 0.00 C ATOM 802 CG2 VAL A 52 -6.005 7.401 -5.420 1.00 0.00 C ATOM 0 H VAL A 52 -6.824 7.566 -8.010 1.00 0.00 H new ATOM 0 HA VAL A 52 -6.321 4.987 -6.748 1.00 0.00 H new ATOM 0 HB VAL A 52 -8.071 7.302 -5.947 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -7.821 6.359 -3.678 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -8.620 5.221 -4.789 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -6.910 4.989 -4.356 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -6.176 7.997 -4.524 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.172 6.719 -5.249 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -5.769 8.061 -6.255 1.00 0.00 H new ATOM 812 N GLU A 53 -8.528 3.837 -6.857 1.00 0.00 N ATOM 813 CA GLU A 53 -9.693 3.030 -7.175 1.00 0.00 C ATOM 814 C GLU A 53 -10.364 2.537 -5.892 1.00 0.00 C ATOM 815 O GLU A 53 -9.686 2.203 -4.921 1.00 0.00 O ATOM 816 CB GLU A 53 -9.316 1.856 -8.082 1.00 0.00 C ATOM 817 CG GLU A 53 -8.480 2.329 -9.272 1.00 0.00 C ATOM 818 CD GLU A 53 -9.368 2.938 -10.359 1.00 0.00 C ATOM 819 OE1 GLU A 53 -10.022 3.958 -10.053 1.00 0.00 O ATOM 820 OE2 GLU A 53 -9.373 2.369 -11.472 1.00 0.00 O ATOM 0 H GLU A 53 -7.898 3.425 -6.169 1.00 0.00 H new ATOM 0 HA GLU A 53 -10.404 3.653 -7.718 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -8.756 1.116 -7.511 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -10.220 1.364 -8.441 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -7.750 3.067 -8.938 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -7.919 1.490 -9.683 1.00 0.00 H new ATOM 827 N ASN A 54 -11.689 2.508 -5.928 1.00 0.00 N ATOM 828 CA ASN A 54 -12.459 2.062 -4.779 1.00 0.00 C ATOM 829 C ASN A 54 -12.488 0.533 -4.753 1.00 0.00 C ATOM 830 O ASN A 54 -12.649 -0.070 -3.693 1.00 0.00 O ATOM 831 CB ASN A 54 -13.903 2.561 -4.858 1.00 0.00 C ATOM 832 CG ASN A 54 -13.961 4.088 -4.774 1.00 0.00 C ATOM 833 OD1 ASN A 54 -13.293 4.801 -5.505 1.00 0.00 O ATOM 834 ND2 ASN A 54 -14.795 4.548 -3.846 1.00 0.00 N ATOM 0 H ASN A 54 -12.248 2.786 -6.734 1.00 0.00 H new ATOM 0 HA ASN A 54 -11.988 2.461 -3.881 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -14.356 2.227 -5.791 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -14.487 2.126 -4.047 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -14.905 5.553 -3.713 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -15.324 3.896 -3.268 1.00 0.00 H new ATOM 841 N GLU A 55 -12.329 -0.051 -5.932 1.00 0.00 N ATOM 842 CA GLU A 55 -12.336 -1.498 -6.057 1.00 0.00 C ATOM 843 C GLU A 55 -11.076 -1.973 -6.784 1.00 0.00 C ATOM 844 O GLU A 55 -10.529 -1.256 -7.620 1.00 0.00 O ATOM 845 CB GLU A 55 -13.597 -1.981 -6.775 1.00 0.00 C ATOM 846 CG GLU A 55 -14.848 -1.683 -5.946 1.00 0.00 C ATOM 847 CD GLU A 55 -15.970 -2.672 -6.270 1.00 0.00 C ATOM 848 OE1 GLU A 55 -16.429 -2.649 -7.432 1.00 0.00 O ATOM 849 OE2 GLU A 55 -16.342 -3.429 -5.347 1.00 0.00 O ATOM 0 H GLU A 55 -12.195 0.452 -6.809 1.00 0.00 H new ATOM 0 HA GLU A 55 -12.340 -1.929 -5.056 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -13.676 -1.494 -7.747 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -13.526 -3.053 -6.961 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -14.606 -1.737 -4.884 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -15.186 -0.666 -6.145 1.00 0.00 H new ATOM 856 N LEU A 56 -10.651 -3.180 -6.438 1.00 0.00 N ATOM 857 CA LEU A 56 -9.466 -3.760 -7.047 1.00 0.00 C ATOM 858 C LEU A 56 -9.684 -3.887 -8.556 1.00 0.00 C ATOM 859 O LEU A 56 -10.821 -3.951 -9.019 1.00 0.00 O ATOM 860 CB LEU A 56 -9.104 -5.080 -6.364 1.00 0.00 C ATOM 861 CG LEU A 56 -7.916 -5.839 -6.959 1.00 0.00 C ATOM 862 CD1 LEU A 56 -6.613 -5.064 -6.757 1.00 0.00 C ATOM 863 CD2 LEU A 56 -7.834 -7.258 -6.393 1.00 0.00 C ATOM 0 H LEU A 56 -11.107 -3.772 -5.743 1.00 0.00 H new ATOM 0 HA LEU A 56 -8.605 -3.107 -6.903 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -8.891 -4.877 -5.314 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -9.977 -5.732 -6.392 1.00 0.00 H new ATOM 0 HG LEU A 56 -8.072 -5.930 -8.034 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -5.785 -5.626 -7.189 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -6.688 -4.093 -7.247 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -6.437 -4.920 -5.691 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -6.981 -7.776 -6.832 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -7.713 -7.212 -5.311 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -8.750 -7.799 -6.632 1.00 0.00 H new ATOM 875 N SER A 57 -8.575 -3.920 -9.281 1.00 0.00 N ATOM 876 CA SER A 57 -8.630 -4.039 -10.728 1.00 0.00 C ATOM 877 C SER A 57 -7.241 -4.367 -11.279 1.00 0.00 C ATOM 878 O SER A 57 -6.244 -4.252 -10.568 1.00 0.00 O ATOM 879 CB SER A 57 -9.165 -2.755 -11.366 1.00 0.00 C ATOM 880 OG SER A 57 -10.363 -2.984 -12.103 1.00 0.00 O ATOM 0 H SER A 57 -7.633 -3.866 -8.893 1.00 0.00 H new ATOM 0 HA SER A 57 -9.314 -4.850 -10.979 1.00 0.00 H new ATOM 0 HB2 SER A 57 -9.354 -2.015 -10.588 1.00 0.00 H new ATOM 0 HB3 SER A 57 -8.407 -2.336 -12.028 1.00 0.00 H new ATOM 0 HG SER A 57 -10.673 -2.140 -12.493 1.00 0.00 H new ATOM 886 N ASP A 58 -7.221 -4.769 -12.541 1.00 0.00 N ATOM 887 CA ASP A 58 -5.970 -5.114 -13.196 1.00 0.00 C ATOM 888 C ASP A 58 -5.116 -3.855 -13.352 1.00 0.00 C ATOM 889 O ASP A 58 -3.937 -3.938 -13.694 1.00 0.00 O ATOM 890 CB ASP A 58 -6.220 -5.691 -14.591 1.00 0.00 C ATOM 891 CG ASP A 58 -6.507 -4.654 -15.678 1.00 0.00 C ATOM 892 OD1 ASP A 58 -7.622 -4.090 -15.644 1.00 0.00 O ATOM 893 OD2 ASP A 58 -5.605 -4.447 -16.518 1.00 0.00 O ATOM 0 H ASP A 58 -8.050 -4.864 -13.127 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.463 -5.859 -12.583 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.349 -6.275 -14.888 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -7.062 -6.381 -14.537 1.00 0.00 H new ATOM 898 N SER A 59 -5.743 -2.717 -13.093 1.00 0.00 N ATOM 899 CA SER A 59 -5.055 -1.442 -13.200 1.00 0.00 C ATOM 900 C SER A 59 -4.285 -1.153 -11.909 1.00 0.00 C ATOM 901 O SER A 59 -3.357 -0.346 -11.904 1.00 0.00 O ATOM 902 CB SER A 59 -6.039 -0.308 -13.496 1.00 0.00 C ATOM 903 OG SER A 59 -5.814 0.273 -14.777 1.00 0.00 O ATOM 0 H SER A 59 -6.721 -2.651 -12.809 1.00 0.00 H new ATOM 0 HA SER A 59 -4.351 -1.502 -14.030 1.00 0.00 H new ATOM 0 HB2 SER A 59 -7.059 -0.690 -13.445 1.00 0.00 H new ATOM 0 HB3 SER A 59 -5.948 0.460 -12.728 1.00 0.00 H new ATOM 0 HG SER A 59 -6.463 0.991 -14.929 1.00 0.00 H new ATOM 909 N VAL A 60 -4.699 -1.828 -10.847 1.00 0.00 N ATOM 910 CA VAL A 60 -4.060 -1.654 -9.554 1.00 0.00 C ATOM 911 C VAL A 60 -2.601 -2.104 -9.646 1.00 0.00 C ATOM 912 O VAL A 60 -2.322 -3.295 -9.769 1.00 0.00 O ATOM 913 CB VAL A 60 -4.849 -2.400 -8.476 1.00 0.00 C ATOM 914 CG1 VAL A 60 -4.098 -2.391 -7.143 1.00 0.00 C ATOM 915 CG2 VAL A 60 -6.253 -1.813 -8.319 1.00 0.00 C ATOM 0 H VAL A 60 -5.469 -2.497 -10.856 1.00 0.00 H new ATOM 0 HA VAL A 60 -4.058 -0.602 -9.267 1.00 0.00 H new ATOM 0 HB VAL A 60 -4.954 -3.437 -8.794 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.680 -2.928 -6.394 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.130 -2.877 -7.267 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.948 -1.362 -6.817 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -6.792 -2.361 -7.547 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -6.179 -0.764 -8.034 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.790 -1.895 -9.264 1.00 0.00 H new ATOM 925 N THR A 61 -1.709 -1.126 -9.584 1.00 0.00 N ATOM 926 CA THR A 61 -0.285 -1.406 -9.659 1.00 0.00 C ATOM 927 C THR A 61 0.374 -1.190 -8.295 1.00 0.00 C ATOM 928 O THR A 61 1.555 -1.484 -8.118 1.00 0.00 O ATOM 929 CB THR A 61 0.311 -0.536 -10.767 1.00 0.00 C ATOM 930 OG1 THR A 61 0.304 0.779 -10.217 1.00 0.00 O ATOM 931 CG2 THR A 61 -0.606 -0.433 -11.988 1.00 0.00 C ATOM 0 H THR A 61 -1.945 -0.139 -9.483 1.00 0.00 H new ATOM 0 HA THR A 61 -0.100 -2.450 -9.912 1.00 0.00 H new ATOM 0 HB THR A 61 1.275 -0.945 -11.070 1.00 0.00 H new ATOM 0 HG1 THR A 61 0.266 0.724 -9.239 1.00 0.00 H new ATOM 0 HG21 THR A 61 -0.136 0.195 -12.744 1.00 0.00 H new ATOM 0 HG22 THR A 61 -0.778 -1.428 -12.399 1.00 0.00 H new ATOM 0 HG23 THR A 61 -1.558 0.007 -11.692 1.00 0.00 H new ATOM 939 N HIS A 62 -0.419 -0.676 -7.366 1.00 0.00 N ATOM 940 CA HIS A 62 0.073 -0.417 -6.023 1.00 0.00 C ATOM 941 C HIS A 62 -1.081 -0.523 -5.025 1.00 0.00 C ATOM 942 O HIS A 62 -2.122 0.108 -5.203 1.00 0.00 O ATOM 943 CB HIS A 62 0.790 0.934 -5.959 1.00 0.00 C ATOM 944 CG HIS A 62 1.621 1.246 -7.180 1.00 0.00 C ATOM 945 ND1 HIS A 62 1.174 2.066 -8.201 1.00 0.00 N ATOM 946 CD2 HIS A 62 2.875 0.842 -7.532 1.00 0.00 C ATOM 947 CE1 HIS A 62 2.124 2.144 -9.122 1.00 0.00 C ATOM 948 NE2 HIS A 62 3.177 1.384 -8.706 1.00 0.00 N ATOM 0 H HIS A 62 -1.398 -0.432 -7.516 1.00 0.00 H new ATOM 0 HA HIS A 62 0.813 -1.169 -5.751 1.00 0.00 H new ATOM 0 HB2 HIS A 62 0.048 1.722 -5.826 1.00 0.00 H new ATOM 0 HB3 HIS A 62 1.434 0.951 -5.080 1.00 0.00 H new ATOM 0 HD2 HIS A 62 3.514 0.191 -6.954 1.00 0.00 H new ATOM 0 HE1 HIS A 62 2.073 2.710 -10.040 1.00 0.00 H new ATOM 0 HE2 HIS A 62 4.052 1.253 -9.213 1.00 0.00 H new ATOM 956 N ILE A 63 -0.858 -1.326 -3.994 1.00 0.00 N ATOM 957 CA ILE A 63 -1.866 -1.523 -2.967 1.00 0.00 C ATOM 958 C ILE A 63 -1.378 -0.907 -1.654 1.00 0.00 C ATOM 959 O ILE A 63 -0.299 -1.245 -1.170 1.00 0.00 O ATOM 960 CB ILE A 63 -2.233 -3.004 -2.853 1.00 0.00 C ATOM 961 CG1 ILE A 63 -3.159 -3.430 -3.994 1.00 0.00 C ATOM 962 CG2 ILE A 63 -2.832 -3.317 -1.480 1.00 0.00 C ATOM 963 CD1 ILE A 63 -3.310 -4.951 -4.039 1.00 0.00 C ATOM 0 H ILE A 63 0.006 -1.848 -3.849 1.00 0.00 H new ATOM 0 HA ILE A 63 -2.789 -1.010 -3.236 1.00 0.00 H new ATOM 0 HB ILE A 63 -1.319 -3.590 -2.946 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -4.138 -2.968 -3.865 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -2.760 -3.072 -4.943 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -3.084 -4.376 -1.426 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -2.106 -3.076 -0.703 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -3.733 -2.722 -1.332 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.973 -5.227 -4.859 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -2.333 -5.409 -4.193 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -3.732 -5.303 -3.097 1.00 0.00 H new ATOM 975 N VAL A 64 -2.196 -0.015 -1.116 1.00 0.00 N ATOM 976 CA VAL A 64 -1.861 0.651 0.131 1.00 0.00 C ATOM 977 C VAL A 64 -2.650 0.010 1.275 1.00 0.00 C ATOM 978 O VAL A 64 -3.823 -0.325 1.113 1.00 0.00 O ATOM 979 CB VAL A 64 -2.108 2.156 0.004 1.00 0.00 C ATOM 980 CG1 VAL A 64 -1.714 2.886 1.289 1.00 0.00 C ATOM 981 CG2 VAL A 64 -1.367 2.733 -1.204 1.00 0.00 C ATOM 0 H VAL A 64 -3.090 0.262 -1.521 1.00 0.00 H new ATOM 0 HA VAL A 64 -0.802 0.527 0.357 1.00 0.00 H new ATOM 0 HB VAL A 64 -3.176 2.308 -0.154 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -1.899 3.954 1.172 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -2.306 2.504 2.121 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -0.656 2.721 1.491 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -1.559 3.804 -1.271 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -0.296 2.563 -1.089 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -1.717 2.244 -2.113 1.00 0.00 H new ATOM 991 N ALA A 65 -1.976 -0.141 2.405 1.00 0.00 N ATOM 992 CA ALA A 65 -2.599 -0.735 3.575 1.00 0.00 C ATOM 993 C ALA A 65 -1.907 -0.215 4.836 1.00 0.00 C ATOM 994 O ALA A 65 -0.767 0.243 4.779 1.00 0.00 O ATOM 995 CB ALA A 65 -2.542 -2.260 3.465 1.00 0.00 C ATOM 0 H ALA A 65 -1.004 0.138 2.535 1.00 0.00 H new ATOM 0 HA ALA A 65 -3.650 -0.452 3.636 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -3.009 -2.706 4.343 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -3.073 -2.580 2.569 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -1.502 -2.582 3.405 1.00 0.00 H new ATOM 1001 N GLU A 66 -2.626 -0.303 5.946 1.00 0.00 N ATOM 1002 CA GLU A 66 -2.095 0.153 7.219 1.00 0.00 C ATOM 1003 C GLU A 66 -2.189 -0.961 8.263 1.00 0.00 C ATOM 1004 O GLU A 66 -3.228 -1.607 8.395 1.00 0.00 O ATOM 1005 CB GLU A 66 -2.820 1.414 7.695 1.00 0.00 C ATOM 1006 CG GLU A 66 -2.143 1.999 8.937 1.00 0.00 C ATOM 1007 CD GLU A 66 -3.003 3.100 9.562 1.00 0.00 C ATOM 1008 OE1 GLU A 66 -3.850 2.745 10.410 1.00 0.00 O ATOM 1009 OE2 GLU A 66 -2.794 4.270 9.177 1.00 0.00 O ATOM 0 H GLU A 66 -3.571 -0.683 5.990 1.00 0.00 H new ATOM 0 HA GLU A 66 -1.044 0.408 7.082 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -2.828 2.156 6.897 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -3.860 1.177 7.921 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -1.970 1.209 9.668 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -1.167 2.403 8.668 1.00 0.00 H new ATOM 1016 N ASN A 67 -1.091 -1.152 8.979 1.00 0.00 N ATOM 1017 CA ASN A 67 -1.037 -2.178 10.007 1.00 0.00 C ATOM 1018 C ASN A 67 -1.265 -3.548 9.367 1.00 0.00 C ATOM 1019 O ASN A 67 -2.013 -4.368 9.897 1.00 0.00 O ATOM 1020 CB ASN A 67 -2.126 -1.960 11.060 1.00 0.00 C ATOM 1021 CG ASN A 67 -2.124 -0.514 11.560 1.00 0.00 C ATOM 1022 OD1 ASN A 67 -1.132 -0.002 12.053 1.00 0.00 O ATOM 1023 ND2 ASN A 67 -3.286 0.113 11.407 1.00 0.00 N ATOM 0 H ASN A 67 -0.232 -0.614 8.868 1.00 0.00 H new ATOM 0 HA ASN A 67 -0.058 -2.126 10.484 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -3.101 -2.200 10.635 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -1.967 -2.639 11.898 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -3.387 1.082 11.710 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -4.077 -0.375 10.986 1.00 0.00 H new ATOM 1030 N ASN A 68 -0.605 -3.755 8.237 1.00 0.00 N ATOM 1031 CA ASN A 68 -0.727 -5.013 7.519 1.00 0.00 C ATOM 1032 C ASN A 68 0.646 -5.423 6.982 1.00 0.00 C ATOM 1033 O ASN A 68 1.503 -4.573 6.746 1.00 0.00 O ATOM 1034 CB ASN A 68 -1.679 -4.878 6.329 1.00 0.00 C ATOM 1035 CG ASN A 68 -2.226 -3.453 6.223 1.00 0.00 C ATOM 1036 OD1 ASN A 68 -1.539 -2.524 5.834 1.00 0.00 O ATOM 1037 ND2 ASN A 68 -3.499 -3.334 6.591 1.00 0.00 N ATOM 0 H ASN A 68 0.016 -3.073 7.801 1.00 0.00 H new ATOM 0 HA ASN A 68 -1.118 -5.760 8.210 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -1.156 -5.140 5.409 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -2.505 -5.581 6.438 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -3.957 -2.423 6.557 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -4.017 -4.154 6.907 1.00 0.00 H new ATOM 1044 N SER A 69 0.812 -6.726 6.805 1.00 0.00 N ATOM 1045 CA SER A 69 2.066 -7.259 6.301 1.00 0.00 C ATOM 1046 C SER A 69 1.913 -7.652 4.830 1.00 0.00 C ATOM 1047 O SER A 69 0.871 -8.167 4.426 1.00 0.00 O ATOM 1048 CB SER A 69 2.525 -8.462 7.127 1.00 0.00 C ATOM 1049 OG SER A 69 2.342 -8.251 8.524 1.00 0.00 O ATOM 0 H SER A 69 0.099 -7.428 7.002 1.00 0.00 H new ATOM 0 HA SER A 69 2.827 -6.483 6.386 1.00 0.00 H new ATOM 0 HB2 SER A 69 1.969 -9.347 6.818 1.00 0.00 H new ATOM 0 HB3 SER A 69 3.578 -8.660 6.925 1.00 0.00 H new ATOM 0 HG SER A 69 2.645 -9.042 9.017 1.00 0.00 H new ATOM 1055 N GLY A 70 2.966 -7.394 4.069 1.00 0.00 N ATOM 1056 CA GLY A 70 2.962 -7.715 2.652 1.00 0.00 C ATOM 1057 C GLY A 70 2.350 -9.094 2.404 1.00 0.00 C ATOM 1058 O GLY A 70 1.685 -9.310 1.391 1.00 0.00 O ATOM 0 H GLY A 70 3.828 -6.966 4.407 1.00 0.00 H new ATOM 0 HA2 GLY A 70 2.397 -6.959 2.106 1.00 0.00 H new ATOM 0 HA3 GLY A 70 3.982 -7.691 2.267 1.00 0.00 H new ATOM 1062 N SER A 71 2.595 -9.994 3.345 1.00 0.00 N ATOM 1063 CA SER A 71 2.075 -11.347 3.241 1.00 0.00 C ATOM 1064 C SER A 71 0.557 -11.341 3.434 1.00 0.00 C ATOM 1065 O SER A 71 -0.166 -12.025 2.712 1.00 0.00 O ATOM 1066 CB SER A 71 2.737 -12.271 4.266 1.00 0.00 C ATOM 1067 OG SER A 71 2.530 -11.821 5.602 1.00 0.00 O ATOM 0 H SER A 71 3.147 -9.813 4.183 1.00 0.00 H new ATOM 0 HA SER A 71 2.306 -11.727 2.246 1.00 0.00 H new ATOM 0 HB2 SER A 71 2.337 -13.279 4.157 1.00 0.00 H new ATOM 0 HB3 SER A 71 3.807 -12.329 4.064 1.00 0.00 H new ATOM 0 HG SER A 71 2.966 -12.438 6.226 1.00 0.00 H new ATOM 1073 N ASP A 72 0.120 -10.560 4.411 1.00 0.00 N ATOM 1074 CA ASP A 72 -1.299 -10.456 4.708 1.00 0.00 C ATOM 1075 C ASP A 72 -2.036 -9.932 3.474 1.00 0.00 C ATOM 1076 O ASP A 72 -3.057 -10.489 3.073 1.00 0.00 O ATOM 1077 CB ASP A 72 -1.551 -9.481 5.859 1.00 0.00 C ATOM 1078 CG ASP A 72 -2.112 -10.116 7.133 1.00 0.00 C ATOM 1079 OD1 ASP A 72 -2.305 -11.351 7.114 1.00 0.00 O ATOM 1080 OD2 ASP A 72 -2.335 -9.352 8.097 1.00 0.00 O ATOM 0 H ASP A 72 0.723 -9.993 5.007 1.00 0.00 H new ATOM 0 HA ASP A 72 -1.658 -11.446 4.989 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -0.614 -8.980 6.103 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -2.244 -8.712 5.519 1.00 0.00 H new ATOM 1085 N VAL A 73 -1.491 -8.866 2.907 1.00 0.00 N ATOM 1086 CA VAL A 73 -2.084 -8.260 1.727 1.00 0.00 C ATOM 1087 C VAL A 73 -2.028 -9.254 0.565 1.00 0.00 C ATOM 1088 O VAL A 73 -2.994 -9.396 -0.182 1.00 0.00 O ATOM 1089 CB VAL A 73 -1.388 -6.934 1.414 1.00 0.00 C ATOM 1090 CG1 VAL A 73 -2.112 -6.186 0.292 1.00 0.00 C ATOM 1091 CG2 VAL A 73 -1.274 -6.065 2.668 1.00 0.00 C ATOM 0 H VAL A 73 -0.645 -8.406 3.243 1.00 0.00 H new ATOM 0 HA VAL A 73 -3.134 -8.027 1.904 1.00 0.00 H new ATOM 0 HB VAL A 73 -0.379 -7.159 1.070 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -1.597 -5.247 0.089 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -2.117 -6.799 -0.609 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -3.138 -5.979 0.596 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -0.776 -5.129 2.418 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -2.270 -5.853 3.056 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -0.695 -6.593 3.425 1.00 0.00 H new ATOM 1101 N LEU A 74 -0.886 -9.916 0.450 1.00 0.00 N ATOM 1102 CA LEU A 74 -0.691 -10.893 -0.608 1.00 0.00 C ATOM 1103 C LEU A 74 -1.797 -11.947 -0.533 1.00 0.00 C ATOM 1104 O LEU A 74 -2.571 -12.108 -1.475 1.00 0.00 O ATOM 1105 CB LEU A 74 0.721 -11.478 -0.543 1.00 0.00 C ATOM 1106 CG LEU A 74 1.762 -10.819 -1.451 1.00 0.00 C ATOM 1107 CD1 LEU A 74 3.175 -11.281 -1.091 1.00 0.00 C ATOM 1108 CD2 LEU A 74 1.437 -11.066 -2.926 1.00 0.00 C ATOM 0 H LEU A 74 -0.087 -9.795 1.072 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.769 -10.417 -1.585 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.073 -11.413 0.487 1.00 0.00 H new ATOM 0 HB3 LEU A 74 0.666 -12.537 -0.795 1.00 0.00 H new ATOM 0 HG LEU A 74 1.724 -9.742 -1.288 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.895 -10.798 -1.751 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.393 -11.012 -0.057 1.00 0.00 H new ATOM 0 HD13 LEU A 74 3.245 -12.363 -1.207 1.00 0.00 H new ATOM 0 HD21 LEU A 74 2.192 -10.587 -3.550 1.00 0.00 H new ATOM 0 HD22 LEU A 74 1.430 -12.138 -3.123 1.00 0.00 H new ATOM 0 HD23 LEU A 74 0.457 -10.649 -3.157 1.00 0.00 H new ATOM 1120 N GLU A 75 -1.836 -12.639 0.596 1.00 0.00 N ATOM 1121 CA GLU A 75 -2.834 -13.673 0.806 1.00 0.00 C ATOM 1122 C GLU A 75 -4.210 -13.185 0.348 1.00 0.00 C ATOM 1123 O GLU A 75 -4.969 -13.937 -0.261 1.00 0.00 O ATOM 1124 CB GLU A 75 -2.869 -14.113 2.271 1.00 0.00 C ATOM 1125 CG GLU A 75 -1.521 -14.695 2.701 1.00 0.00 C ATOM 1126 CD GLU A 75 -1.693 -16.093 3.298 1.00 0.00 C ATOM 1127 OE1 GLU A 75 -2.379 -16.185 4.339 1.00 0.00 O ATOM 1128 OE2 GLU A 75 -1.134 -17.038 2.701 1.00 0.00 O ATOM 0 H GLU A 75 -1.192 -12.504 1.375 1.00 0.00 H new ATOM 0 HA GLU A 75 -2.560 -14.541 0.206 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -3.120 -13.262 2.904 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -3.652 -14.858 2.412 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -0.851 -14.742 1.843 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -1.054 -14.037 3.434 1.00 0.00 H new ATOM 1135 N TRP A 76 -4.489 -11.927 0.658 1.00 0.00 N ATOM 1136 CA TRP A 76 -5.760 -11.329 0.286 1.00 0.00 C ATOM 1137 C TRP A 76 -5.811 -11.238 -1.240 1.00 0.00 C ATOM 1138 O TRP A 76 -6.839 -11.528 -1.849 1.00 0.00 O ATOM 1139 CB TRP A 76 -5.951 -9.975 0.972 1.00 0.00 C ATOM 1140 CG TRP A 76 -7.088 -9.135 0.387 1.00 0.00 C ATOM 1141 CD1 TRP A 76 -8.352 -9.042 0.821 1.00 0.00 C ATOM 1142 CD2 TRP A 76 -7.013 -8.269 -0.765 1.00 0.00 C ATOM 1143 NE1 TRP A 76 -9.094 -8.183 0.037 1.00 0.00 N ATOM 1144 CE2 TRP A 76 -8.254 -7.698 -0.958 1.00 0.00 C ATOM 1145 CE3 TRP A 76 -5.932 -7.978 -1.615 1.00 0.00 C ATOM 1146 CZ2 TRP A 76 -8.531 -6.800 -1.996 1.00 0.00 C ATOM 1147 CZ3 TRP A 76 -6.225 -7.079 -2.647 1.00 0.00 C ATOM 1148 CH2 TRP A 76 -7.469 -6.495 -2.856 1.00 0.00 C ATOM 0 H TRP A 76 -3.857 -11.306 1.162 1.00 0.00 H new ATOM 0 HA TRP A 76 -6.591 -11.947 0.626 1.00 0.00 H new ATOM 0 HB2 TRP A 76 -6.144 -10.140 2.032 1.00 0.00 H new ATOM 0 HB3 TRP A 76 -5.022 -9.409 0.901 1.00 0.00 H new ATOM 0 HD1 TRP A 76 -8.741 -9.573 1.677 1.00 0.00 H new ATOM 0 HE1 TRP A 76 -10.078 -7.947 0.164 1.00 0.00 H new ATOM 0 HE3 TRP A 76 -4.953 -8.414 -1.482 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 -9.511 -6.366 -2.126 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 -5.428 -6.821 -3.329 1.00 0.00 H new ATOM 0 HH2 TRP A 76 -7.616 -5.809 -3.678 1.00 0.00 H new ATOM 1159 N LEU A 77 -4.687 -10.835 -1.815 1.00 0.00 N ATOM 1160 CA LEU A 77 -4.590 -10.702 -3.259 1.00 0.00 C ATOM 1161 C LEU A 77 -5.071 -11.996 -3.918 1.00 0.00 C ATOM 1162 O LEU A 77 -5.956 -11.971 -4.772 1.00 0.00 O ATOM 1163 CB LEU A 77 -3.173 -10.294 -3.665 1.00 0.00 C ATOM 1164 CG LEU A 77 -3.070 -9.226 -4.756 1.00 0.00 C ATOM 1165 CD1 LEU A 77 -4.209 -9.364 -5.768 1.00 0.00 C ATOM 1166 CD2 LEU A 77 -3.010 -7.824 -4.148 1.00 0.00 C ATOM 0 H LEU A 77 -3.835 -10.596 -1.307 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.240 -9.902 -3.614 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.653 -9.931 -2.779 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.643 -11.184 -4.004 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.137 -9.381 -5.298 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -4.112 -8.593 -6.532 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -4.162 -10.347 -6.236 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -5.165 -9.250 -5.257 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -2.937 -7.084 -4.945 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.913 -7.641 -3.565 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -2.137 -7.746 -3.500 1.00 0.00 H new ATOM 1178 N GLN A 78 -4.466 -13.098 -3.498 1.00 0.00 N ATOM 1179 CA GLN A 78 -4.821 -14.399 -4.037 1.00 0.00 C ATOM 1180 C GLN A 78 -6.270 -14.741 -3.688 1.00 0.00 C ATOM 1181 O GLN A 78 -6.946 -15.439 -4.442 1.00 0.00 O ATOM 1182 CB GLN A 78 -3.865 -15.482 -3.532 1.00 0.00 C ATOM 1183 CG GLN A 78 -2.451 -15.261 -4.072 1.00 0.00 C ATOM 1184 CD GLN A 78 -1.784 -16.592 -4.425 1.00 0.00 C ATOM 1185 OE1 GLN A 78 -2.434 -17.584 -4.713 1.00 0.00 O ATOM 1186 NE2 GLN A 78 -0.455 -16.559 -4.385 1.00 0.00 N ATOM 0 H GLN A 78 -3.732 -13.116 -2.790 1.00 0.00 H new ATOM 0 HA GLN A 78 -4.729 -14.358 -5.122 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -3.847 -15.476 -2.442 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -4.226 -16.463 -3.840 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -2.491 -14.625 -4.956 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -1.852 -14.736 -3.328 1.00 0.00 H new ATOM 0 HE21 GLN A 78 0.026 -15.695 -4.136 1.00 0.00 H new ATOM 0 HE22 GLN A 78 0.083 -17.398 -4.603 1.00 0.00 H new ATOM 1195 N ALA A 79 -6.706 -14.233 -2.545 1.00 0.00 N ATOM 1196 CA ALA A 79 -8.063 -14.476 -2.086 1.00 0.00 C ATOM 1197 C ALA A 79 -9.050 -13.845 -3.071 1.00 0.00 C ATOM 1198 O ALA A 79 -10.156 -14.350 -3.256 1.00 0.00 O ATOM 1199 CB ALA A 79 -8.227 -13.931 -0.666 1.00 0.00 C ATOM 0 H ALA A 79 -6.143 -13.654 -1.922 1.00 0.00 H new ATOM 0 HA ALA A 79 -8.271 -15.545 -2.050 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -9.245 -14.113 -0.322 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -7.524 -14.432 -0.001 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -8.029 -12.859 -0.663 1.00 0.00 H new ATOM 1205 N GLN A 80 -8.614 -12.749 -3.676 1.00 0.00 N ATOM 1206 CA GLN A 80 -9.445 -12.044 -4.636 1.00 0.00 C ATOM 1207 C GLN A 80 -9.858 -12.983 -5.771 1.00 0.00 C ATOM 1208 O GLN A 80 -9.365 -14.106 -5.863 1.00 0.00 O ATOM 1209 CB GLN A 80 -8.725 -10.809 -5.182 1.00 0.00 C ATOM 1210 CG GLN A 80 -8.370 -9.839 -4.053 1.00 0.00 C ATOM 1211 CD GLN A 80 -9.563 -9.621 -3.121 1.00 0.00 C ATOM 1212 OE1 GLN A 80 -10.432 -8.800 -3.364 1.00 0.00 O ATOM 1213 NE2 GLN A 80 -9.558 -10.401 -2.044 1.00 0.00 N ATOM 0 H GLN A 80 -7.696 -12.333 -3.519 1.00 0.00 H new ATOM 0 HA GLN A 80 -10.346 -11.703 -4.126 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -7.818 -11.113 -5.704 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -9.359 -10.307 -5.912 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -7.527 -10.231 -3.484 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -8.054 -8.885 -4.475 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -8.800 -11.068 -1.901 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -10.313 -10.332 -1.361 1.00 0.00 H new ATOM 1222 N LYS A 81 -10.759 -12.489 -6.607 1.00 0.00 N ATOM 1223 CA LYS A 81 -11.244 -13.270 -7.733 1.00 0.00 C ATOM 1224 C LYS A 81 -10.975 -12.507 -9.031 1.00 0.00 C ATOM 1225 O LYS A 81 -11.374 -12.947 -10.108 1.00 0.00 O ATOM 1226 CB LYS A 81 -12.714 -13.642 -7.532 1.00 0.00 C ATOM 1227 CG LYS A 81 -13.282 -14.325 -8.778 1.00 0.00 C ATOM 1228 CD LYS A 81 -14.348 -15.356 -8.401 1.00 0.00 C ATOM 1229 CE LYS A 81 -15.746 -14.734 -8.431 1.00 0.00 C ATOM 1230 NZ LYS A 81 -16.032 -14.041 -7.155 1.00 0.00 N ATOM 0 H LYS A 81 -11.166 -11.557 -6.527 1.00 0.00 H new ATOM 0 HA LYS A 81 -10.706 -14.215 -7.801 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -12.811 -14.306 -6.673 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -13.292 -12.746 -7.309 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -13.714 -13.576 -9.442 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -12.477 -14.813 -9.328 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -14.306 -16.198 -9.092 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -14.142 -15.750 -7.406 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -15.819 -14.029 -9.259 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -16.492 -15.509 -8.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -16.887 -14.446 -6.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -15.228 -14.161 -6.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -16.183 -13.028 -7.336 1.00 0.00 H new ATOM 1244 N VAL A 82 -10.299 -11.376 -8.887 1.00 0.00 N ATOM 1245 CA VAL A 82 -9.972 -10.548 -10.035 1.00 0.00 C ATOM 1246 C VAL A 82 -8.594 -10.946 -10.569 1.00 0.00 C ATOM 1247 O VAL A 82 -7.816 -11.592 -9.869 1.00 0.00 O ATOM 1248 CB VAL A 82 -10.061 -9.069 -9.656 1.00 0.00 C ATOM 1249 CG1 VAL A 82 -9.158 -8.753 -8.461 1.00 0.00 C ATOM 1250 CG2 VAL A 82 -9.722 -8.175 -10.850 1.00 0.00 C ATOM 0 H VAL A 82 -9.969 -11.014 -7.992 1.00 0.00 H new ATOM 0 HA VAL A 82 -10.691 -10.708 -10.838 1.00 0.00 H new ATOM 0 HB VAL A 82 -11.090 -8.861 -9.363 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -9.240 -7.695 -8.212 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -9.466 -9.352 -7.604 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -8.124 -8.987 -8.714 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -9.793 -7.129 -10.553 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -8.708 -8.388 -11.188 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -10.423 -8.370 -11.661 1.00 0.00 H new ATOM 1260 N GLN A 83 -8.336 -10.545 -11.805 1.00 0.00 N ATOM 1261 CA GLN A 83 -7.066 -10.852 -12.441 1.00 0.00 C ATOM 1262 C GLN A 83 -6.277 -9.566 -12.699 1.00 0.00 C ATOM 1263 O GLN A 83 -6.821 -8.595 -13.223 1.00 0.00 O ATOM 1264 CB GLN A 83 -7.278 -11.635 -13.739 1.00 0.00 C ATOM 1265 CG GLN A 83 -7.868 -10.739 -14.830 1.00 0.00 C ATOM 1266 CD GLN A 83 -8.485 -11.576 -15.952 1.00 0.00 C ATOM 1267 OE1 GLN A 83 -9.691 -11.741 -16.047 1.00 0.00 O ATOM 1268 NE2 GLN A 83 -7.595 -12.093 -16.794 1.00 0.00 N ATOM 0 H GLN A 83 -8.984 -10.010 -12.383 1.00 0.00 H new ATOM 0 HA GLN A 83 -6.486 -11.482 -11.766 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -6.328 -12.049 -14.078 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -7.945 -12.477 -13.555 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -8.627 -10.086 -14.399 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -7.089 -10.095 -15.238 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -6.600 -11.916 -16.657 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -7.907 -12.667 -17.577 1.00 0.00 H new ATOM 1277 N VAL A 84 -5.008 -9.602 -12.320 1.00 0.00 N ATOM 1278 CA VAL A 84 -4.140 -8.452 -12.504 1.00 0.00 C ATOM 1279 C VAL A 84 -3.022 -8.814 -13.483 1.00 0.00 C ATOM 1280 O VAL A 84 -2.420 -9.882 -13.377 1.00 0.00 O ATOM 1281 CB VAL A 84 -3.615 -7.971 -11.149 1.00 0.00 C ATOM 1282 CG1 VAL A 84 -4.444 -6.796 -10.627 1.00 0.00 C ATOM 1283 CG2 VAL A 84 -3.586 -9.115 -10.135 1.00 0.00 C ATOM 0 H VAL A 84 -4.560 -10.409 -11.886 1.00 0.00 H new ATOM 0 HA VAL A 84 -4.695 -7.620 -12.937 1.00 0.00 H new ATOM 0 HB VAL A 84 -2.592 -7.623 -11.290 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -4.051 -6.473 -9.663 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -4.391 -5.970 -11.336 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -5.482 -7.107 -10.509 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -3.209 -8.746 -9.181 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -4.594 -9.507 -10.000 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -2.934 -9.909 -10.500 1.00 0.00 H new ATOM 1293 N SER A 85 -2.776 -7.904 -14.415 1.00 0.00 N ATOM 1294 CA SER A 85 -1.741 -8.115 -15.412 1.00 0.00 C ATOM 1295 C SER A 85 -0.368 -8.157 -14.740 1.00 0.00 C ATOM 1296 O SER A 85 0.517 -8.893 -15.174 1.00 0.00 O ATOM 1297 CB SER A 85 -1.776 -7.020 -16.481 1.00 0.00 C ATOM 1298 OG SER A 85 -0.634 -7.069 -17.333 1.00 0.00 O ATOM 0 H SER A 85 -3.276 -7.019 -14.500 1.00 0.00 H new ATOM 0 HA SER A 85 -1.927 -9.071 -15.902 1.00 0.00 H new ATOM 0 HB2 SER A 85 -2.680 -7.127 -17.080 1.00 0.00 H new ATOM 0 HB3 SER A 85 -1.827 -6.044 -15.999 1.00 0.00 H new ATOM 0 HG SER A 85 -0.694 -6.356 -18.002 1.00 0.00 H new ATOM 1304 N SER A 86 -0.232 -7.358 -13.692 1.00 0.00 N ATOM 1305 CA SER A 86 1.019 -7.295 -12.956 1.00 0.00 C ATOM 1306 C SER A 86 0.740 -7.059 -11.470 1.00 0.00 C ATOM 1307 O SER A 86 0.213 -6.014 -11.092 1.00 0.00 O ATOM 1308 CB SER A 86 1.927 -6.194 -13.507 1.00 0.00 C ATOM 1309 OG SER A 86 1.240 -4.954 -13.644 1.00 0.00 O ATOM 0 H SER A 86 -0.968 -6.749 -13.335 1.00 0.00 H new ATOM 0 HA SER A 86 1.535 -8.248 -13.076 1.00 0.00 H new ATOM 0 HB2 SER A 86 2.782 -6.063 -12.843 1.00 0.00 H new ATOM 0 HB3 SER A 86 2.320 -6.500 -14.477 1.00 0.00 H new ATOM 0 HG SER A 86 0.658 -4.815 -12.868 1.00 0.00 H new ATOM 1315 N GLN A 87 1.106 -8.048 -10.667 1.00 0.00 N ATOM 1316 CA GLN A 87 0.902 -7.961 -9.231 1.00 0.00 C ATOM 1317 C GLN A 87 1.223 -6.550 -8.734 1.00 0.00 C ATOM 1318 O GLN A 87 2.290 -6.012 -9.027 1.00 0.00 O ATOM 1319 CB GLN A 87 1.742 -9.006 -8.494 1.00 0.00 C ATOM 1320 CG GLN A 87 0.933 -9.671 -7.378 1.00 0.00 C ATOM 1321 CD GLN A 87 1.770 -10.722 -6.647 1.00 0.00 C ATOM 1322 OE1 GLN A 87 2.854 -10.457 -6.153 1.00 0.00 O ATOM 1323 NE2 GLN A 87 1.209 -11.927 -6.605 1.00 0.00 N ATOM 0 H GLN A 87 1.543 -8.914 -10.984 1.00 0.00 H new ATOM 0 HA GLN A 87 -0.147 -8.170 -9.019 1.00 0.00 H new ATOM 0 HB2 GLN A 87 2.088 -9.763 -9.198 1.00 0.00 H new ATOM 0 HB3 GLN A 87 2.629 -8.534 -8.073 1.00 0.00 H new ATOM 0 HG2 GLN A 87 0.593 -8.915 -6.670 1.00 0.00 H new ATOM 0 HG3 GLN A 87 0.042 -10.138 -7.798 1.00 0.00 H new ATOM 0 HE21 GLN A 87 0.299 -12.081 -7.039 1.00 0.00 H new ATOM 0 HE22 GLN A 87 1.689 -12.697 -6.139 1.00 0.00 H new ATOM 1332 N PRO A 88 0.255 -5.976 -7.971 1.00 0.00 N ATOM 1333 CA PRO A 88 0.423 -4.638 -7.430 1.00 0.00 C ATOM 1334 C PRO A 88 1.399 -4.641 -6.252 1.00 0.00 C ATOM 1335 O PRO A 88 1.530 -5.645 -5.553 1.00 0.00 O ATOM 1336 CB PRO A 88 -0.977 -4.191 -7.041 1.00 0.00 C ATOM 1337 CG PRO A 88 -1.807 -5.461 -6.946 1.00 0.00 C ATOM 1338 CD PRO A 88 -1.021 -6.583 -7.604 1.00 0.00 C ATOM 0 HA PRO A 88 0.862 -3.946 -8.149 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -0.967 -3.659 -6.090 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -1.390 -3.509 -7.784 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -2.017 -5.702 -5.904 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -2.768 -5.327 -7.442 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -0.879 -7.421 -6.921 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -1.542 -6.970 -8.480 1.00 0.00 H new ATOM 1346 N GLU A 89 2.058 -3.507 -6.067 1.00 0.00 N ATOM 1347 CA GLU A 89 3.018 -3.367 -4.985 1.00 0.00 C ATOM 1348 C GLU A 89 2.292 -3.141 -3.657 1.00 0.00 C ATOM 1349 O GLU A 89 1.315 -2.396 -3.599 1.00 0.00 O ATOM 1350 CB GLU A 89 4.004 -2.233 -5.270 1.00 0.00 C ATOM 1351 CG GLU A 89 3.430 -0.884 -4.834 1.00 0.00 C ATOM 1352 CD GLU A 89 4.480 0.223 -4.950 1.00 0.00 C ATOM 1353 OE1 GLU A 89 5.679 -0.123 -4.879 1.00 0.00 O ATOM 1354 OE2 GLU A 89 4.060 1.390 -5.107 1.00 0.00 O ATOM 0 H GLU A 89 1.946 -2.676 -6.648 1.00 0.00 H new ATOM 0 HA GLU A 89 3.590 -4.292 -4.911 1.00 0.00 H new ATOM 0 HB2 GLU A 89 4.941 -2.420 -4.745 1.00 0.00 H new ATOM 0 HB3 GLU A 89 4.235 -2.207 -6.335 1.00 0.00 H new ATOM 0 HG2 GLU A 89 2.566 -0.636 -5.450 1.00 0.00 H new ATOM 0 HG3 GLU A 89 3.079 -0.950 -3.804 1.00 0.00 H new ATOM 1361 N LEU A 90 2.797 -3.798 -2.624 1.00 0.00 N ATOM 1362 CA LEU A 90 2.209 -3.678 -1.301 1.00 0.00 C ATOM 1363 C LEU A 90 3.068 -2.742 -0.448 1.00 0.00 C ATOM 1364 O LEU A 90 4.202 -3.075 -0.104 1.00 0.00 O ATOM 1365 CB LEU A 90 2.003 -5.060 -0.679 1.00 0.00 C ATOM 1366 CG LEU A 90 0.904 -5.921 -1.307 1.00 0.00 C ATOM 1367 CD1 LEU A 90 0.656 -5.518 -2.761 1.00 0.00 C ATOM 1368 CD2 LEU A 90 1.230 -7.410 -1.172 1.00 0.00 C ATOM 0 H LEU A 90 3.607 -4.415 -2.676 1.00 0.00 H new ATOM 0 HA LEU A 90 1.217 -3.231 -1.365 1.00 0.00 H new ATOM 0 HB2 LEU A 90 2.944 -5.607 -0.738 1.00 0.00 H new ATOM 0 HB3 LEU A 90 1.775 -4.930 0.379 1.00 0.00 H new ATOM 0 HG LEU A 90 -0.023 -5.744 -0.761 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -0.129 -6.145 -3.184 1.00 0.00 H new ATOM 0 HD12 LEU A 90 0.347 -4.473 -2.801 1.00 0.00 H new ATOM 0 HD13 LEU A 90 1.573 -5.648 -3.336 1.00 0.00 H new ATOM 0 HD21 LEU A 90 0.433 -7.999 -1.626 1.00 0.00 H new ATOM 0 HD22 LEU A 90 2.172 -7.623 -1.677 1.00 0.00 H new ATOM 0 HD23 LEU A 90 1.317 -7.669 -0.117 1.00 0.00 H new ATOM 1380 N LEU A 91 2.496 -1.590 -0.131 1.00 0.00 N ATOM 1381 CA LEU A 91 3.196 -0.604 0.675 1.00 0.00 C ATOM 1382 C LEU A 91 2.258 -0.085 1.766 1.00 0.00 C ATOM 1383 O LEU A 91 1.041 -0.241 1.670 1.00 0.00 O ATOM 1384 CB LEU A 91 3.776 0.499 -0.212 1.00 0.00 C ATOM 1385 CG LEU A 91 3.916 0.161 -1.698 1.00 0.00 C ATOM 1386 CD1 LEU A 91 3.488 1.341 -2.572 1.00 0.00 C ATOM 1387 CD2 LEU A 91 5.337 -0.307 -2.022 1.00 0.00 C ATOM 0 H LEU A 91 1.556 -1.317 -0.418 1.00 0.00 H new ATOM 0 HA LEU A 91 4.049 -1.059 1.177 1.00 0.00 H new ATOM 0 HB2 LEU A 91 3.144 1.382 -0.119 1.00 0.00 H new ATOM 0 HB3 LEU A 91 4.760 0.768 0.173 1.00 0.00 H new ATOM 0 HG LEU A 91 3.244 -0.667 -1.925 1.00 0.00 H new ATOM 0 HD11 LEU A 91 3.597 1.074 -3.623 1.00 0.00 H new ATOM 0 HD12 LEU A 91 2.446 1.587 -2.367 1.00 0.00 H new ATOM 0 HD13 LEU A 91 4.115 2.205 -2.350 1.00 0.00 H new ATOM 0 HD21 LEU A 91 5.410 -0.541 -3.084 1.00 0.00 H new ATOM 0 HD22 LEU A 91 6.046 0.484 -1.775 1.00 0.00 H new ATOM 0 HD23 LEU A 91 5.569 -1.197 -1.438 1.00 0.00 H new ATOM 1399 N ASP A 92 2.859 0.522 2.779 1.00 0.00 N ATOM 1400 CA ASP A 92 2.092 1.065 3.888 1.00 0.00 C ATOM 1401 C ASP A 92 1.528 2.431 3.492 1.00 0.00 C ATOM 1402 O ASP A 92 2.005 3.052 2.543 1.00 0.00 O ATOM 1403 CB ASP A 92 2.972 1.257 5.125 1.00 0.00 C ATOM 1404 CG ASP A 92 2.501 0.512 6.375 1.00 0.00 C ATOM 1405 OD1 ASP A 92 1.324 0.713 6.746 1.00 0.00 O ATOM 1406 OD2 ASP A 92 3.328 -0.242 6.932 1.00 0.00 O ATOM 0 H ASP A 92 3.868 0.650 2.855 1.00 0.00 H new ATOM 0 HA ASP A 92 1.292 0.362 4.121 1.00 0.00 H new ATOM 0 HB2 ASP A 92 3.984 0.931 4.886 1.00 0.00 H new ATOM 0 HB3 ASP A 92 3.025 2.322 5.353 1.00 0.00 H new ATOM 1411 N VAL A 93 0.521 2.859 4.239 1.00 0.00 N ATOM 1412 CA VAL A 93 -0.112 4.140 3.978 1.00 0.00 C ATOM 1413 C VAL A 93 0.958 5.232 3.922 1.00 0.00 C ATOM 1414 O VAL A 93 0.737 6.295 3.345 1.00 0.00 O ATOM 1415 CB VAL A 93 -1.191 4.414 5.028 1.00 0.00 C ATOM 1416 CG1 VAL A 93 -0.600 4.400 6.439 1.00 0.00 C ATOM 1417 CG2 VAL A 93 -1.907 5.737 4.747 1.00 0.00 C ATOM 0 H VAL A 93 0.128 2.341 5.025 1.00 0.00 H new ATOM 0 HA VAL A 93 -0.614 4.127 3.010 1.00 0.00 H new ATOM 0 HB VAL A 93 -1.929 3.614 4.966 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -1.388 4.597 7.166 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -0.158 3.424 6.639 1.00 0.00 H new ATOM 0 HG13 VAL A 93 0.168 5.169 6.519 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -2.669 5.907 5.508 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -1.185 6.553 4.767 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -2.378 5.694 3.765 1.00 0.00 H new ATOM 1427 N SER A 94 2.096 4.931 4.530 1.00 0.00 N ATOM 1428 CA SER A 94 3.202 5.874 4.557 1.00 0.00 C ATOM 1429 C SER A 94 3.518 6.351 3.138 1.00 0.00 C ATOM 1430 O SER A 94 3.402 7.538 2.839 1.00 0.00 O ATOM 1431 CB SER A 94 4.444 5.248 5.195 1.00 0.00 C ATOM 1432 OG SER A 94 5.251 4.567 4.238 1.00 0.00 O ATOM 0 H SER A 94 2.276 4.048 5.008 1.00 0.00 H new ATOM 0 HA SER A 94 2.907 6.730 5.164 1.00 0.00 H new ATOM 0 HB2 SER A 94 5.034 6.026 5.679 1.00 0.00 H new ATOM 0 HB3 SER A 94 4.138 4.549 5.974 1.00 0.00 H new ATOM 0 HG SER A 94 6.034 4.183 4.685 1.00 0.00 H new ATOM 1438 N TRP A 95 3.910 5.401 2.302 1.00 0.00 N ATOM 1439 CA TRP A 95 4.243 5.709 0.922 1.00 0.00 C ATOM 1440 C TRP A 95 3.155 6.630 0.368 1.00 0.00 C ATOM 1441 O TRP A 95 3.454 7.681 -0.198 1.00 0.00 O ATOM 1442 CB TRP A 95 4.419 4.430 0.101 1.00 0.00 C ATOM 1443 CG TRP A 95 4.900 4.671 -1.331 1.00 0.00 C ATOM 1444 CD1 TRP A 95 6.130 5.007 -1.742 1.00 0.00 C ATOM 1445 CD2 TRP A 95 4.105 4.579 -2.532 1.00 0.00 C ATOM 1446 NE1 TRP A 95 6.186 5.139 -3.115 1.00 0.00 N ATOM 1447 CE2 TRP A 95 4.915 4.870 -3.610 1.00 0.00 C ATOM 1448 CE3 TRP A 95 2.746 4.261 -2.701 1.00 0.00 C ATOM 1449 CZ2 TRP A 95 4.459 4.872 -4.934 1.00 0.00 C ATOM 1450 CZ3 TRP A 95 2.305 4.267 -4.030 1.00 0.00 C ATOM 1451 CH2 TRP A 95 3.108 4.558 -5.127 1.00 0.00 C ATOM 0 H TRP A 95 4.004 4.417 2.554 1.00 0.00 H new ATOM 0 HA TRP A 95 5.201 6.226 0.863 1.00 0.00 H new ATOM 0 HB2 TRP A 95 5.132 3.780 0.608 1.00 0.00 H new ATOM 0 HB3 TRP A 95 3.469 3.897 0.069 1.00 0.00 H new ATOM 0 HD1 TRP A 95 6.972 5.156 -1.082 1.00 0.00 H new ATOM 0 HE1 TRP A 95 7.008 5.388 -3.665 1.00 0.00 H new ATOM 0 HE3 TRP A 95 2.094 4.030 -1.872 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 5.114 5.103 -5.761 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 1.268 4.029 -4.216 1.00 0.00 H new ATOM 0 HH2 TRP A 95 2.692 4.542 -6.123 1.00 0.00 H new ATOM 1462 N LEU A 96 1.914 6.203 0.549 1.00 0.00 N ATOM 1463 CA LEU A 96 0.779 6.976 0.073 1.00 0.00 C ATOM 1464 C LEU A 96 0.842 8.385 0.668 1.00 0.00 C ATOM 1465 O LEU A 96 0.784 9.373 -0.062 1.00 0.00 O ATOM 1466 CB LEU A 96 -0.531 6.243 0.369 1.00 0.00 C ATOM 1467 CG LEU A 96 -1.709 6.579 -0.547 1.00 0.00 C ATOM 1468 CD1 LEU A 96 -2.655 7.580 0.121 1.00 0.00 C ATOM 1469 CD2 LEU A 96 -1.221 7.074 -1.910 1.00 0.00 C ATOM 0 H LEU A 96 1.669 5.331 1.019 1.00 0.00 H new ATOM 0 HA LEU A 96 0.820 7.084 -1.011 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -0.345 5.171 0.311 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -0.822 6.461 1.397 1.00 0.00 H new ATOM 0 HG LEU A 96 -2.277 5.665 -0.721 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -3.484 7.802 -0.551 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -3.042 7.153 1.046 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -2.113 8.499 0.345 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -2.079 7.306 -2.541 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -0.616 7.971 -1.776 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -0.620 6.299 -2.385 1.00 0.00 H new ATOM 1481 N ILE A 97 0.961 8.431 1.986 1.00 0.00 N ATOM 1482 CA ILE A 97 1.032 9.702 2.687 1.00 0.00 C ATOM 1483 C ILE A 97 2.130 10.564 2.060 1.00 0.00 C ATOM 1484 O ILE A 97 1.944 11.763 1.858 1.00 0.00 O ATOM 1485 CB ILE A 97 1.211 9.476 4.190 1.00 0.00 C ATOM 1486 CG1 ILE A 97 -0.037 8.838 4.801 1.00 0.00 C ATOM 1487 CG2 ILE A 97 1.595 10.778 4.898 1.00 0.00 C ATOM 1488 CD1 ILE A 97 0.287 8.170 6.138 1.00 0.00 C ATOM 0 H ILE A 97 1.010 7.609 2.588 1.00 0.00 H new ATOM 0 HA ILE A 97 0.095 10.249 2.580 1.00 0.00 H new ATOM 0 HB ILE A 97 2.034 8.776 4.335 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -0.804 9.599 4.947 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -0.447 8.100 4.112 1.00 0.00 H new ATOM 0 HG21 ILE A 97 1.716 10.590 5.965 1.00 0.00 H new ATOM 0 HG22 ILE A 97 2.532 11.153 4.487 1.00 0.00 H new ATOM 0 HG23 ILE A 97 0.810 11.519 4.747 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -0.618 7.724 6.551 1.00 0.00 H new ATOM 0 HD12 ILE A 97 1.037 7.394 5.985 1.00 0.00 H new ATOM 0 HD13 ILE A 97 0.674 8.915 6.833 1.00 0.00 H new ATOM 1500 N GLU A 98 3.250 9.919 1.768 1.00 0.00 N ATOM 1501 CA GLU A 98 4.378 10.612 1.168 1.00 0.00 C ATOM 1502 C GLU A 98 4.046 11.021 -0.268 1.00 0.00 C ATOM 1503 O GLU A 98 4.270 12.166 -0.659 1.00 0.00 O ATOM 1504 CB GLU A 98 5.640 9.748 1.214 1.00 0.00 C ATOM 1505 CG GLU A 98 6.047 9.449 2.658 1.00 0.00 C ATOM 1506 CD GLU A 98 7.420 8.774 2.712 1.00 0.00 C ATOM 1507 OE1 GLU A 98 8.394 9.437 2.295 1.00 0.00 O ATOM 1508 OE2 GLU A 98 7.463 7.612 3.170 1.00 0.00 O ATOM 0 H GLU A 98 3.401 8.924 1.936 1.00 0.00 H new ATOM 0 HA GLU A 98 4.574 11.515 1.746 1.00 0.00 H new ATOM 0 HB2 GLU A 98 5.465 8.814 0.681 1.00 0.00 H new ATOM 0 HB3 GLU A 98 6.454 10.260 0.701 1.00 0.00 H new ATOM 0 HG2 GLU A 98 6.070 10.375 3.232 1.00 0.00 H new ATOM 0 HG3 GLU A 98 5.302 8.804 3.124 1.00 0.00 H new ATOM 1515 N CYS A 99 3.516 10.064 -1.015 1.00 0.00 N ATOM 1516 CA CYS A 99 3.151 10.310 -2.400 1.00 0.00 C ATOM 1517 C CYS A 99 2.214 11.519 -2.441 1.00 0.00 C ATOM 1518 O CYS A 99 2.113 12.196 -3.463 1.00 0.00 O ATOM 1519 CB CYS A 99 2.519 9.076 -3.047 1.00 0.00 C ATOM 1520 SG CYS A 99 3.798 7.801 -3.343 1.00 0.00 S ATOM 0 H CYS A 99 3.330 9.116 -0.687 1.00 0.00 H new ATOM 0 HA CYS A 99 4.047 10.525 -2.982 1.00 0.00 H new ATOM 0 HB2 CYS A 99 1.738 8.676 -2.401 1.00 0.00 H new ATOM 0 HB3 CYS A 99 2.044 9.352 -3.988 1.00 0.00 H new ATOM 0 HG CYS A 99 3.412 6.671 -2.829 1.00 0.00 H new ATOM 1526 N ILE A 100 1.551 11.753 -1.318 1.00 0.00 N ATOM 1527 CA ILE A 100 0.625 12.868 -1.213 1.00 0.00 C ATOM 1528 C ILE A 100 1.414 14.162 -1.002 1.00 0.00 C ATOM 1529 O ILE A 100 1.404 15.046 -1.857 1.00 0.00 O ATOM 1530 CB ILE A 100 -0.417 12.599 -0.126 1.00 0.00 C ATOM 1531 CG1 ILE A 100 -1.359 11.466 -0.538 1.00 0.00 C ATOM 1532 CG2 ILE A 100 -1.179 13.876 0.231 1.00 0.00 C ATOM 1533 CD1 ILE A 100 -2.172 10.966 0.658 1.00 0.00 C ATOM 0 H ILE A 100 1.637 11.189 -0.472 1.00 0.00 H new ATOM 0 HA ILE A 100 0.062 12.984 -2.139 1.00 0.00 H new ATOM 0 HB ILE A 100 0.105 12.273 0.774 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -2.033 11.815 -1.320 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -0.781 10.643 -0.959 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -1.913 13.657 1.006 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -0.479 14.627 0.597 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -1.688 14.255 -0.655 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -2.833 10.161 0.337 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -1.496 10.595 1.428 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -2.767 11.785 1.062 1.00 0.00 H new ATOM 1545 N GLY A 101 2.079 14.232 0.142 1.00 0.00 N ATOM 1546 CA GLY A 101 2.872 15.403 0.476 1.00 0.00 C ATOM 1547 C GLY A 101 4.033 15.577 -0.504 1.00 0.00 C ATOM 1548 O GLY A 101 4.695 16.614 -0.510 1.00 0.00 O ATOM 0 H GLY A 101 2.085 13.497 0.849 1.00 0.00 H new ATOM 0 HA2 GLY A 101 2.240 16.291 0.458 1.00 0.00 H new ATOM 0 HA3 GLY A 101 3.259 15.307 1.490 1.00 0.00 H new ATOM 1552 N ALA A 102 4.245 14.547 -1.310 1.00 0.00 N ATOM 1553 CA ALA A 102 5.315 14.573 -2.293 1.00 0.00 C ATOM 1554 C ALA A 102 4.728 14.890 -3.670 1.00 0.00 C ATOM 1555 O ALA A 102 5.405 15.470 -4.518 1.00 0.00 O ATOM 1556 CB ALA A 102 6.062 13.238 -2.271 1.00 0.00 C ATOM 0 H ALA A 102 3.694 13.689 -1.302 1.00 0.00 H new ATOM 0 HA ALA A 102 6.037 15.354 -2.054 1.00 0.00 H new ATOM 0 HB1 ALA A 102 6.864 13.258 -3.008 1.00 0.00 H new ATOM 0 HB2 ALA A 102 6.484 13.074 -1.280 1.00 0.00 H new ATOM 0 HB3 ALA A 102 5.370 12.430 -2.509 1.00 0.00 H new ATOM 1562 N GLY A 103 3.476 14.496 -3.850 1.00 0.00 N ATOM 1563 CA GLY A 103 2.792 14.731 -5.110 1.00 0.00 C ATOM 1564 C GLY A 103 3.406 13.892 -6.233 1.00 0.00 C ATOM 1565 O GLY A 103 3.366 14.284 -7.398 1.00 0.00 O ATOM 0 H GLY A 103 2.918 14.016 -3.144 1.00 0.00 H new ATOM 0 HA2 GLY A 103 1.735 14.486 -5.005 1.00 0.00 H new ATOM 0 HA3 GLY A 103 2.850 15.788 -5.368 1.00 0.00 H new ATOM 1569 N LYS A 104 3.959 12.754 -5.842 1.00 0.00 N ATOM 1570 CA LYS A 104 4.581 11.856 -6.801 1.00 0.00 C ATOM 1571 C LYS A 104 4.928 10.537 -6.108 1.00 0.00 C ATOM 1572 O LYS A 104 4.941 10.462 -4.880 1.00 0.00 O ATOM 1573 CB LYS A 104 5.778 12.533 -7.471 1.00 0.00 C ATOM 1574 CG LYS A 104 7.034 12.408 -6.605 1.00 0.00 C ATOM 1575 CD LYS A 104 8.100 11.564 -7.305 1.00 0.00 C ATOM 1576 CE LYS A 104 9.211 11.167 -6.331 1.00 0.00 C ATOM 1577 NZ LYS A 104 9.751 9.832 -6.677 1.00 0.00 N ATOM 0 H LYS A 104 3.990 12.433 -4.874 1.00 0.00 H new ATOM 0 HA LYS A 104 3.886 11.619 -7.607 1.00 0.00 H new ATOM 0 HB2 LYS A 104 5.958 12.080 -8.446 1.00 0.00 H new ATOM 0 HB3 LYS A 104 5.555 13.586 -7.645 1.00 0.00 H new ATOM 0 HG2 LYS A 104 7.433 13.400 -6.391 1.00 0.00 H new ATOM 0 HG3 LYS A 104 6.777 11.955 -5.648 1.00 0.00 H new ATOM 0 HD2 LYS A 104 7.642 10.668 -7.725 1.00 0.00 H new ATOM 0 HD3 LYS A 104 8.525 12.125 -8.138 1.00 0.00 H new ATOM 0 HE2 LYS A 104 10.010 11.908 -6.360 1.00 0.00 H new ATOM 0 HE3 LYS A 104 8.823 11.156 -5.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 10.254 9.438 -5.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 8.969 9.199 -6.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 10.410 9.921 -7.477 1.00 0.00 H new ATOM 1591 N PRO A 105 5.209 9.504 -6.946 1.00 0.00 N ATOM 1592 CA PRO A 105 5.557 8.192 -6.427 1.00 0.00 C ATOM 1593 C PRO A 105 6.984 8.180 -5.877 1.00 0.00 C ATOM 1594 O PRO A 105 7.927 7.852 -6.596 1.00 0.00 O ATOM 1595 CB PRO A 105 5.362 7.242 -7.597 1.00 0.00 C ATOM 1596 CG PRO A 105 5.364 8.110 -8.844 1.00 0.00 C ATOM 1597 CD PRO A 105 5.204 9.557 -8.405 1.00 0.00 C ATOM 0 HA PRO A 105 4.935 7.895 -5.583 1.00 0.00 H new ATOM 0 HB2 PRO A 105 6.161 6.501 -7.636 1.00 0.00 H new ATOM 0 HB3 PRO A 105 4.424 6.695 -7.504 1.00 0.00 H new ATOM 0 HG2 PRO A 105 6.293 7.980 -9.398 1.00 0.00 H new ATOM 0 HG3 PRO A 105 4.552 7.821 -9.511 1.00 0.00 H new ATOM 0 HD2 PRO A 105 6.017 10.177 -8.782 1.00 0.00 H new ATOM 0 HD3 PRO A 105 4.275 9.985 -8.783 1.00 0.00 H new ATOM 1605 N VAL A 106 7.099 8.541 -4.608 1.00 0.00 N ATOM 1606 CA VAL A 106 8.396 8.576 -3.954 1.00 0.00 C ATOM 1607 C VAL A 106 9.127 7.257 -4.210 1.00 0.00 C ATOM 1608 O VAL A 106 8.577 6.349 -4.831 1.00 0.00 O ATOM 1609 CB VAL A 106 8.223 8.885 -2.465 1.00 0.00 C ATOM 1610 CG1 VAL A 106 7.728 10.318 -2.257 1.00 0.00 C ATOM 1611 CG2 VAL A 106 7.283 7.877 -1.802 1.00 0.00 C ATOM 0 H VAL A 106 6.315 8.812 -4.015 1.00 0.00 H new ATOM 0 HA VAL A 106 9.012 9.374 -4.368 1.00 0.00 H new ATOM 0 HB VAL A 106 9.199 8.796 -1.988 1.00 0.00 H new ATOM 0 HG11 VAL A 106 7.613 10.512 -1.191 1.00 0.00 H new ATOM 0 HG12 VAL A 106 8.451 11.017 -2.677 1.00 0.00 H new ATOM 0 HG13 VAL A 106 6.767 10.447 -2.755 1.00 0.00 H new ATOM 0 HG21 VAL A 106 7.177 8.119 -0.745 1.00 0.00 H new ATOM 0 HG22 VAL A 106 6.306 7.919 -2.283 1.00 0.00 H new ATOM 0 HG23 VAL A 106 7.695 6.873 -1.905 1.00 0.00 H new ATOM 1621 N GLU A 107 10.355 7.193 -3.717 1.00 0.00 N ATOM 1622 CA GLU A 107 11.167 5.999 -3.885 1.00 0.00 C ATOM 1623 C GLU A 107 10.806 4.958 -2.824 1.00 0.00 C ATOM 1624 O GLU A 107 10.122 5.270 -1.850 1.00 0.00 O ATOM 1625 CB GLU A 107 12.658 6.339 -3.834 1.00 0.00 C ATOM 1626 CG GLU A 107 13.087 6.711 -2.413 1.00 0.00 C ATOM 1627 CD GLU A 107 14.230 7.729 -2.434 1.00 0.00 C ATOM 1628 OE1 GLU A 107 15.201 7.477 -3.180 1.00 0.00 O ATOM 1629 OE2 GLU A 107 14.106 8.736 -1.704 1.00 0.00 O ATOM 0 H GLU A 107 10.808 7.948 -3.201 1.00 0.00 H new ATOM 0 HA GLU A 107 10.957 5.576 -4.867 1.00 0.00 H new ATOM 0 HB2 GLU A 107 13.241 5.487 -4.182 1.00 0.00 H new ATOM 0 HB3 GLU A 107 12.869 7.167 -4.510 1.00 0.00 H new ATOM 0 HG2 GLU A 107 12.237 7.124 -1.869 1.00 0.00 H new ATOM 0 HG3 GLU A 107 13.403 5.815 -1.878 1.00 0.00 H new ATOM 1636 N MET A 108 11.281 3.742 -3.048 1.00 0.00 N ATOM 1637 CA MET A 108 11.016 2.652 -2.124 1.00 0.00 C ATOM 1638 C MET A 108 12.302 2.194 -1.433 1.00 0.00 C ATOM 1639 O MET A 108 13.177 1.608 -2.068 1.00 0.00 O ATOM 1640 CB MET A 108 10.398 1.477 -2.883 1.00 0.00 C ATOM 1641 CG MET A 108 8.870 1.564 -2.879 1.00 0.00 C ATOM 1642 SD MET A 108 8.176 0.150 -3.719 1.00 0.00 S ATOM 1643 CE MET A 108 8.089 0.791 -5.383 1.00 0.00 C ATOM 0 H MET A 108 11.848 3.487 -3.856 1.00 0.00 H new ATOM 0 HA MET A 108 10.323 3.008 -1.362 1.00 0.00 H new ATOM 0 HB2 MET A 108 10.763 1.471 -3.910 1.00 0.00 H new ATOM 0 HB3 MET A 108 10.714 0.539 -2.427 1.00 0.00 H new ATOM 0 HG2 MET A 108 8.503 1.605 -1.854 1.00 0.00 H new ATOM 0 HG3 MET A 108 8.549 2.483 -3.370 1.00 0.00 H new ATOM 0 HE1 MET A 108 7.827 -0.014 -6.070 1.00 0.00 H new ATOM 0 HE2 MET A 108 7.330 1.572 -5.433 1.00 0.00 H new ATOM 0 HE3 MET A 108 9.057 1.207 -5.664 1.00 0.00 H new ATOM 1653 N THR A 109 12.376 2.480 -0.141 1.00 0.00 N ATOM 1654 CA THR A 109 13.540 2.105 0.642 1.00 0.00 C ATOM 1655 C THR A 109 13.229 0.883 1.508 1.00 0.00 C ATOM 1656 O THR A 109 13.977 0.566 2.433 1.00 0.00 O ATOM 1657 CB THR A 109 13.979 3.327 1.452 1.00 0.00 C ATOM 1658 OG1 THR A 109 12.979 3.455 2.458 1.00 0.00 O ATOM 1659 CG2 THR A 109 13.873 4.627 0.653 1.00 0.00 C ATOM 0 H THR A 109 11.648 2.967 0.382 1.00 0.00 H new ATOM 0 HA THR A 109 14.369 1.807 -0.000 1.00 0.00 H new ATOM 0 HB THR A 109 15.007 3.190 1.787 1.00 0.00 H new ATOM 0 HG1 THR A 109 13.187 4.223 3.030 1.00 0.00 H new ATOM 0 HG21 THR A 109 14.196 5.463 1.274 1.00 0.00 H new ATOM 0 HG22 THR A 109 14.508 4.564 -0.230 1.00 0.00 H new ATOM 0 HG23 THR A 109 12.839 4.782 0.346 1.00 0.00 H new ATOM 1667 N GLY A 110 12.125 0.229 1.179 1.00 0.00 N ATOM 1668 CA GLY A 110 11.705 -0.951 1.915 1.00 0.00 C ATOM 1669 C GLY A 110 10.675 -0.591 2.987 1.00 0.00 C ATOM 1670 O GLY A 110 9.622 -1.220 3.078 1.00 0.00 O ATOM 0 H GLY A 110 11.508 0.494 0.412 1.00 0.00 H new ATOM 0 HA2 GLY A 110 11.279 -1.681 1.227 1.00 0.00 H new ATOM 0 HA3 GLY A 110 12.571 -1.421 2.381 1.00 0.00 H new ATOM 1674 N LYS A 111 11.016 0.419 3.774 1.00 0.00 N ATOM 1675 CA LYS A 111 10.134 0.870 4.837 1.00 0.00 C ATOM 1676 C LYS A 111 8.723 1.064 4.276 1.00 0.00 C ATOM 1677 O LYS A 111 7.742 0.987 5.013 1.00 0.00 O ATOM 1678 CB LYS A 111 10.703 2.119 5.512 1.00 0.00 C ATOM 1679 CG LYS A 111 10.533 3.351 4.620 1.00 0.00 C ATOM 1680 CD LYS A 111 11.232 4.569 5.228 1.00 0.00 C ATOM 1681 CE LYS A 111 10.218 5.525 5.859 1.00 0.00 C ATOM 1682 NZ LYS A 111 10.349 5.520 7.333 1.00 0.00 N ATOM 0 H LYS A 111 11.891 0.938 3.697 1.00 0.00 H new ATOM 0 HA LYS A 111 10.066 0.115 5.620 1.00 0.00 H new ATOM 0 HB2 LYS A 111 10.199 2.283 6.465 1.00 0.00 H new ATOM 0 HB3 LYS A 111 11.760 1.968 5.732 1.00 0.00 H new ATOM 0 HG2 LYS A 111 10.944 3.148 3.631 1.00 0.00 H new ATOM 0 HG3 LYS A 111 9.472 3.565 4.487 1.00 0.00 H new ATOM 0 HD2 LYS A 111 11.948 4.243 5.982 1.00 0.00 H new ATOM 0 HD3 LYS A 111 11.798 5.091 4.456 1.00 0.00 H new ATOM 0 HE2 LYS A 111 10.374 6.534 5.477 1.00 0.00 H new ATOM 0 HE3 LYS A 111 9.207 5.231 5.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 9.654 6.174 7.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 10.177 4.560 7.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 11.308 5.823 7.597 1.00 0.00 H new ATOM 1696 N HIS A 112 8.667 1.311 2.975 1.00 0.00 N ATOM 1697 CA HIS A 112 7.393 1.516 2.307 1.00 0.00 C ATOM 1698 C HIS A 112 6.697 0.169 2.105 1.00 0.00 C ATOM 1699 O HIS A 112 5.486 0.058 2.291 1.00 0.00 O ATOM 1700 CB HIS A 112 7.584 2.287 0.999 1.00 0.00 C ATOM 1701 CG HIS A 112 8.192 3.658 1.177 1.00 0.00 C ATOM 1702 ND1 HIS A 112 8.743 4.375 0.129 1.00 0.00 N ATOM 1703 CD2 HIS A 112 8.328 4.435 2.289 1.00 0.00 C ATOM 1704 CE1 HIS A 112 9.189 5.530 0.602 1.00 0.00 C ATOM 1705 NE2 HIS A 112 8.931 5.565 1.941 1.00 0.00 N ATOM 0 H HIS A 112 9.483 1.374 2.366 1.00 0.00 H new ATOM 0 HA HIS A 112 6.745 2.130 2.932 1.00 0.00 H new ATOM 0 HB2 HIS A 112 8.220 1.702 0.334 1.00 0.00 H new ATOM 0 HB3 HIS A 112 6.617 2.391 0.506 1.00 0.00 H new ATOM 0 HD1 HIS A 112 8.797 4.067 -0.842 1.00 0.00 H new ATOM 0 HD2 HIS A 112 8.000 4.175 3.285 1.00 0.00 H new ATOM 0 HE1 HIS A 112 9.672 6.307 0.028 1.00 0.00 H new ATOM 1713 N GLN A 113 7.492 -0.821 1.727 1.00 0.00 N ATOM 1714 CA GLN A 113 6.967 -2.156 1.498 1.00 0.00 C ATOM 1715 C GLN A 113 6.718 -2.865 2.831 1.00 0.00 C ATOM 1716 O GLN A 113 7.639 -3.036 3.628 1.00 0.00 O ATOM 1717 CB GLN A 113 7.910 -2.972 0.611 1.00 0.00 C ATOM 1718 CG GLN A 113 8.285 -2.194 -0.652 1.00 0.00 C ATOM 1719 CD GLN A 113 9.286 -2.978 -1.502 1.00 0.00 C ATOM 1720 OE1 GLN A 113 10.190 -3.628 -1.002 1.00 0.00 O ATOM 1721 NE2 GLN A 113 9.075 -2.883 -2.812 1.00 0.00 N ATOM 0 H GLN A 113 8.496 -0.725 1.574 1.00 0.00 H new ATOM 0 HA GLN A 113 6.016 -2.065 0.974 1.00 0.00 H new ATOM 0 HB2 GLN A 113 8.812 -3.224 1.168 1.00 0.00 H new ATOM 0 HB3 GLN A 113 7.433 -3.912 0.335 1.00 0.00 H new ATOM 0 HG2 GLN A 113 7.388 -1.989 -1.237 1.00 0.00 H new ATOM 0 HG3 GLN A 113 8.713 -1.230 -0.376 1.00 0.00 H new ATOM 0 HE21 GLN A 113 8.300 -2.322 -3.164 1.00 0.00 H new ATOM 0 HE22 GLN A 113 9.689 -3.371 -3.464 1.00 0.00 H new ATOM 1730 N LEU A 114 5.469 -3.257 3.032 1.00 0.00 N ATOM 1731 CA LEU A 114 5.087 -3.943 4.255 1.00 0.00 C ATOM 1732 C LEU A 114 6.139 -5.003 4.590 1.00 0.00 C ATOM 1733 O LEU A 114 6.820 -4.906 5.609 1.00 0.00 O ATOM 1734 CB LEU A 114 3.668 -4.502 4.136 1.00 0.00 C ATOM 1735 CG LEU A 114 2.576 -3.489 3.785 1.00 0.00 C ATOM 1736 CD1 LEU A 114 2.935 -2.095 4.302 1.00 0.00 C ATOM 1737 CD2 LEU A 114 2.292 -3.487 2.282 1.00 0.00 C ATOM 0 H LEU A 114 4.708 -3.113 2.368 1.00 0.00 H new ATOM 0 HA LEU A 114 5.060 -3.244 5.091 1.00 0.00 H new ATOM 0 HB2 LEU A 114 3.669 -5.283 3.376 1.00 0.00 H new ATOM 0 HB3 LEU A 114 3.405 -4.977 5.081 1.00 0.00 H new ATOM 0 HG LEU A 114 1.656 -3.791 4.286 1.00 0.00 H new ATOM 0 HD11 LEU A 114 2.143 -1.394 4.039 1.00 0.00 H new ATOM 0 HD12 LEU A 114 3.047 -2.127 5.386 1.00 0.00 H new ATOM 0 HD13 LEU A 114 3.872 -1.769 3.850 1.00 0.00 H new ATOM 0 HD21 LEU A 114 1.512 -2.758 2.060 1.00 0.00 H new ATOM 0 HD22 LEU A 114 3.200 -3.223 1.740 1.00 0.00 H new ATOM 0 HD23 LEU A 114 1.961 -4.478 1.973 1.00 0.00 H new