USER MOD reduce.3.24.130724 H: found=0, std=0, add=738, rem=0, adj=18 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 46:sc= 0.0651 USER MOD Set 1.2: A 62 HIS : no HD1:sc= -5.21! C(o=-5.1!,f=-7.8!) USER MOD Single : A 31 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0622) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 MET CE :methyl -153:sc= -1.15 (180deg=-2.87!) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc=0.000707 USER MOD Single : A 42 MET CE :methyl 168:sc= -2.38! (180deg=-2.83!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=-0.078) USER MOD Single : A 57 SER OG : rot 32:sc= 0.457 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc=-0.00596 X(o=-0.006,f=-0.12) USER MOD Single : A 68 ASN :FLIP amide:sc= -4 F(o=-4.8!,f=-4) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= -0.0241 USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=-0.069) USER MOD Single : A 80 GLN : amide:sc= -6.87! C(o=-6.9!,f=-6.9!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 GLN : amide:sc= -0.0331 X(o=-0.033,f=-0.2) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= -0.0572 USER MOD Single : A 87 GLN : amide:sc=-0.00345 X(o=-0.0034,f=-0.0037) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 99 CYS SG : rot 144:sc= -8.17! USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 MET CE :methyl -140:sc= 0 (180deg=-0.0984) USER MOD Single : A 109 THR OG1 : rot -140:sc= 0 USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 HIS : no HE2:sc= -1.36! C(o=-1.4!,f=-6.7!) USER MOD Single : A 113 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD ----------------------------------------------------------------- ATOM 298 N LEU A 24 -0.008 4.792 -12.424 1.00 0.00 N ATOM 299 CA LEU A 24 0.250 4.832 -10.995 1.00 0.00 C ATOM 300 C LEU A 24 -1.059 4.596 -10.239 1.00 0.00 C ATOM 301 O LEU A 24 -1.477 5.431 -9.438 1.00 0.00 O ATOM 302 CB LEU A 24 0.954 6.136 -10.613 1.00 0.00 C ATOM 303 CG LEU A 24 2.072 6.015 -9.577 1.00 0.00 C ATOM 304 CD1 LEU A 24 1.515 5.597 -8.215 1.00 0.00 C ATOM 305 CD2 LEU A 24 3.171 5.067 -10.063 1.00 0.00 C ATOM 0 HA LEU A 24 0.934 4.033 -10.709 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.370 6.580 -11.518 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.206 6.831 -10.232 1.00 0.00 H new ATOM 0 HG LEU A 24 2.528 6.997 -9.451 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.331 5.518 -7.497 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.799 6.343 -7.870 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.018 4.631 -8.306 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.954 4.999 -9.307 1.00 0.00 H new ATOM 0 HD22 LEU A 24 2.748 4.078 -10.237 1.00 0.00 H new ATOM 0 HD23 LEU A 24 3.596 5.448 -10.992 1.00 0.00 H new ATOM 317 N VAL A 25 -1.670 3.454 -10.519 1.00 0.00 N ATOM 318 CA VAL A 25 -2.923 3.097 -9.876 1.00 0.00 C ATOM 319 C VAL A 25 -2.645 2.660 -8.436 1.00 0.00 C ATOM 320 O VAL A 25 -1.973 1.656 -8.207 1.00 0.00 O ATOM 321 CB VAL A 25 -3.647 2.028 -10.696 1.00 0.00 C ATOM 322 CG1 VAL A 25 -5.115 1.918 -10.279 1.00 0.00 C ATOM 323 CG2 VAL A 25 -3.521 2.308 -12.195 1.00 0.00 C ATOM 0 H VAL A 25 -1.320 2.763 -11.183 1.00 0.00 H new ATOM 0 HA VAL A 25 -3.589 3.959 -9.832 1.00 0.00 H new ATOM 0 HB VAL A 25 -3.169 1.069 -10.494 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -5.607 1.151 -10.877 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -5.174 1.649 -9.224 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -5.611 2.875 -10.438 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -4.044 1.533 -12.755 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -3.960 3.279 -12.422 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -2.468 2.311 -12.477 1.00 0.00 H new ATOM 333 N VAL A 26 -3.176 3.436 -7.503 1.00 0.00 N ATOM 334 CA VAL A 26 -2.994 3.142 -6.092 1.00 0.00 C ATOM 335 C VAL A 26 -4.315 2.642 -5.504 1.00 0.00 C ATOM 336 O VAL A 26 -5.348 3.297 -5.643 1.00 0.00 O ATOM 337 CB VAL A 26 -2.445 4.373 -5.367 1.00 0.00 C ATOM 338 CG1 VAL A 26 -2.347 4.124 -3.860 1.00 0.00 C ATOM 339 CG2 VAL A 26 -1.091 4.790 -5.943 1.00 0.00 C ATOM 0 H VAL A 26 -3.733 4.268 -7.697 1.00 0.00 H new ATOM 0 HA VAL A 26 -2.259 2.348 -5.960 1.00 0.00 H new ATOM 0 HB VAL A 26 -3.144 5.194 -5.526 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -1.954 5.014 -3.369 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -3.337 3.898 -3.463 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.680 3.282 -3.673 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -0.723 5.667 -5.410 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -0.380 3.972 -5.830 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.203 5.029 -7.001 1.00 0.00 H new ATOM 349 N PHE A 27 -4.241 1.486 -4.861 1.00 0.00 N ATOM 350 CA PHE A 27 -5.418 0.891 -4.253 1.00 0.00 C ATOM 351 C PHE A 27 -5.247 0.763 -2.738 1.00 0.00 C ATOM 352 O PHE A 27 -4.436 -0.033 -2.266 1.00 0.00 O ATOM 353 CB PHE A 27 -5.576 -0.506 -4.856 1.00 0.00 C ATOM 354 CG PHE A 27 -6.719 -1.322 -4.248 1.00 0.00 C ATOM 355 CD1 PHE A 27 -7.999 -1.103 -4.649 1.00 0.00 C ATOM 356 CD2 PHE A 27 -6.453 -2.266 -3.305 1.00 0.00 C ATOM 357 CE1 PHE A 27 -9.060 -1.859 -4.084 1.00 0.00 C ATOM 358 CE2 PHE A 27 -7.514 -3.023 -2.740 1.00 0.00 C ATOM 359 CZ PHE A 27 -8.795 -2.803 -3.142 1.00 0.00 C ATOM 0 H PHE A 27 -3.383 0.946 -4.748 1.00 0.00 H new ATOM 0 HA PHE A 27 -6.290 1.517 -4.442 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -5.743 -0.410 -5.929 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -4.643 -1.054 -4.726 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -8.209 -0.354 -5.398 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -5.436 -2.440 -2.986 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -10.077 -1.684 -4.402 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -7.304 -3.773 -1.992 1.00 0.00 H new ATOM 0 HZ PHE A 27 -9.602 -3.378 -2.713 1.00 0.00 H new ATOM 369 N ILE A 28 -6.024 1.558 -2.017 1.00 0.00 N ATOM 370 CA ILE A 28 -5.968 1.543 -0.565 1.00 0.00 C ATOM 371 C ILE A 28 -6.817 0.384 -0.038 1.00 0.00 C ATOM 372 O ILE A 28 -7.910 0.131 -0.542 1.00 0.00 O ATOM 373 CB ILE A 28 -6.371 2.907 0.000 1.00 0.00 C ATOM 374 CG1 ILE A 28 -5.343 3.978 -0.369 1.00 0.00 C ATOM 375 CG2 ILE A 28 -6.600 2.828 1.511 1.00 0.00 C ATOM 376 CD1 ILE A 28 -5.636 5.293 0.358 1.00 0.00 C ATOM 0 H ILE A 28 -6.696 2.217 -2.411 1.00 0.00 H new ATOM 0 HA ILE A 28 -4.947 1.371 -0.225 1.00 0.00 H new ATOM 0 HB ILE A 28 -7.318 3.199 -0.454 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -4.342 3.631 -0.111 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -5.355 4.143 -1.446 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -6.885 3.810 1.888 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -7.396 2.114 1.722 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -5.682 2.504 2.002 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -4.891 6.037 0.078 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -6.628 5.650 0.079 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -5.599 5.129 1.435 1.00 0.00 H new ATOM 388 N LEU A 29 -6.280 -0.290 0.969 1.00 0.00 N ATOM 389 CA LEU A 29 -6.975 -1.416 1.570 1.00 0.00 C ATOM 390 C LEU A 29 -7.685 -0.952 2.843 1.00 0.00 C ATOM 391 O LEU A 29 -7.054 -0.401 3.744 1.00 0.00 O ATOM 392 CB LEU A 29 -6.010 -2.582 1.794 1.00 0.00 C ATOM 393 CG LEU A 29 -6.628 -3.865 2.355 1.00 0.00 C ATOM 394 CD1 LEU A 29 -7.330 -4.662 1.254 1.00 0.00 C ATOM 395 CD2 LEU A 29 -5.579 -4.703 3.088 1.00 0.00 C ATOM 0 H LEU A 29 -5.372 -0.078 1.383 1.00 0.00 H new ATOM 0 HA LEU A 29 -7.744 -1.793 0.896 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -5.530 -2.818 0.844 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -5.225 -2.253 2.475 1.00 0.00 H new ATOM 0 HG LEU A 29 -7.387 -3.587 3.086 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -7.760 -5.569 1.679 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -8.122 -4.056 0.815 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -6.608 -4.930 0.482 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -6.044 -5.609 3.477 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -4.781 -4.973 2.396 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -5.164 -4.125 3.914 1.00 0.00 H new ATOM 407 N GLU A 30 -8.987 -1.191 2.877 1.00 0.00 N ATOM 408 CA GLU A 30 -9.790 -0.804 4.025 1.00 0.00 C ATOM 409 C GLU A 30 -9.310 -1.538 5.279 1.00 0.00 C ATOM 410 O GLU A 30 -9.082 -0.917 6.316 1.00 0.00 O ATOM 411 CB GLU A 30 -11.275 -1.068 3.770 1.00 0.00 C ATOM 412 CG GLU A 30 -12.129 -0.573 4.939 1.00 0.00 C ATOM 413 CD GLU A 30 -12.611 -1.742 5.800 1.00 0.00 C ATOM 414 OE1 GLU A 30 -13.028 -2.755 5.199 1.00 0.00 O ATOM 415 OE2 GLU A 30 -12.552 -1.596 7.040 1.00 0.00 O ATOM 0 H GLU A 30 -9.507 -1.648 2.128 1.00 0.00 H new ATOM 0 HA GLU A 30 -9.668 0.267 4.185 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -11.584 -0.568 2.852 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -11.438 -2.136 3.622 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -11.549 0.119 5.550 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -12.987 -0.019 4.558 1.00 0.00 H new ATOM 422 N LYS A 31 -9.170 -2.848 5.143 1.00 0.00 N ATOM 423 CA LYS A 31 -8.722 -3.672 6.252 1.00 0.00 C ATOM 424 C LYS A 31 -7.621 -2.935 7.017 1.00 0.00 C ATOM 425 O LYS A 31 -6.622 -2.521 6.431 1.00 0.00 O ATOM 426 CB LYS A 31 -8.302 -5.057 5.755 1.00 0.00 C ATOM 427 CG LYS A 31 -9.504 -5.830 5.206 1.00 0.00 C ATOM 428 CD LYS A 31 -9.316 -6.152 3.722 1.00 0.00 C ATOM 429 CE LYS A 31 -10.471 -7.007 3.197 1.00 0.00 C ATOM 430 NZ LYS A 31 -10.352 -8.398 3.689 1.00 0.00 N ATOM 0 H LYS A 31 -9.359 -3.359 4.281 1.00 0.00 H new ATOM 0 HA LYS A 31 -9.539 -3.844 6.953 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -7.545 -4.954 4.977 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -7.846 -5.618 6.571 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -9.635 -6.754 5.769 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -10.412 -5.243 5.342 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -9.255 -5.226 3.150 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -8.373 -6.679 3.577 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -11.422 -6.581 3.519 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -10.471 -6.999 2.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -11.050 -8.998 3.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -9.395 -8.755 3.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -10.527 -8.420 4.714 1.00 0.00 H new ATOM 444 N LYS A 32 -7.842 -2.793 8.316 1.00 0.00 N ATOM 445 CA LYS A 32 -6.881 -2.112 9.168 1.00 0.00 C ATOM 446 C LYS A 32 -6.828 -0.631 8.788 1.00 0.00 C ATOM 447 O LYS A 32 -5.760 -0.102 8.485 1.00 0.00 O ATOM 448 CB LYS A 32 -5.522 -2.812 9.108 1.00 0.00 C ATOM 449 CG LYS A 32 -5.368 -3.811 10.256 1.00 0.00 C ATOM 450 CD LYS A 32 -4.313 -4.868 9.925 1.00 0.00 C ATOM 451 CE LYS A 32 -3.535 -5.278 11.178 1.00 0.00 C ATOM 452 NZ LYS A 32 -4.056 -6.555 11.716 1.00 0.00 N ATOM 0 H LYS A 32 -8.672 -3.138 8.799 1.00 0.00 H new ATOM 0 HA LYS A 32 -7.194 -2.162 10.211 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -5.418 -3.330 8.154 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -4.725 -2.070 9.157 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -5.086 -3.283 11.167 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -6.324 -4.296 10.452 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -4.794 -5.743 9.489 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -3.624 -4.477 9.176 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -2.477 -5.382 10.939 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -3.615 -4.498 11.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -3.518 -6.819 12.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -5.060 -6.444 11.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -3.957 -7.301 10.998 1.00 0.00 H new ATOM 466 N MET A 33 -7.995 -0.004 8.816 1.00 0.00 N ATOM 467 CA MET A 33 -8.095 1.406 8.478 1.00 0.00 C ATOM 468 C MET A 33 -9.539 1.896 8.593 1.00 0.00 C ATOM 469 O MET A 33 -9.878 2.628 9.522 1.00 0.00 O ATOM 470 CB MET A 33 -7.594 1.625 7.049 1.00 0.00 C ATOM 471 CG MET A 33 -7.577 3.114 6.696 1.00 0.00 C ATOM 472 SD MET A 33 -7.267 3.325 4.951 1.00 0.00 S ATOM 473 CE MET A 33 -5.599 2.695 4.854 1.00 0.00 C ATOM 0 H MET A 33 -8.879 -0.446 9.067 1.00 0.00 H new ATOM 0 HA MET A 33 -7.482 1.973 9.179 1.00 0.00 H new ATOM 0 HB2 MET A 33 -6.591 1.211 6.944 1.00 0.00 H new ATOM 0 HB3 MET A 33 -8.235 1.089 6.349 1.00 0.00 H new ATOM 0 HG2 MET A 33 -8.531 3.570 6.962 1.00 0.00 H new ATOM 0 HG3 MET A 33 -6.807 3.624 7.275 1.00 0.00 H new ATOM 0 HE1 MET A 33 -5.082 3.162 4.016 1.00 0.00 H new ATOM 0 HE2 MET A 33 -5.070 2.923 5.779 1.00 0.00 H new ATOM 0 HE3 MET A 33 -5.626 1.615 4.708 1.00 0.00 H new ATOM 483 N GLY A 34 -10.353 1.473 7.637 1.00 0.00 N ATOM 484 CA GLY A 34 -11.753 1.860 7.619 1.00 0.00 C ATOM 485 C GLY A 34 -12.135 2.475 6.272 1.00 0.00 C ATOM 486 O GLY A 34 -11.376 2.388 5.308 1.00 0.00 O ATOM 0 H GLY A 34 -10.069 0.865 6.869 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -12.377 0.988 7.815 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -11.946 2.576 8.418 1.00 0.00 H new ATOM 490 N THR A 35 -13.312 3.083 6.247 1.00 0.00 N ATOM 491 CA THR A 35 -13.804 3.712 5.033 1.00 0.00 C ATOM 492 C THR A 35 -13.362 5.176 4.974 1.00 0.00 C ATOM 493 O THR A 35 -12.741 5.601 4.001 1.00 0.00 O ATOM 494 CB THR A 35 -15.324 3.535 4.992 1.00 0.00 C ATOM 495 OG1 THR A 35 -15.504 2.149 4.710 1.00 0.00 O ATOM 496 CG2 THR A 35 -15.963 4.244 3.796 1.00 0.00 C ATOM 0 H THR A 35 -13.939 3.153 7.048 1.00 0.00 H new ATOM 0 HA THR A 35 -13.382 3.241 4.145 1.00 0.00 H new ATOM 0 HB THR A 35 -15.759 3.916 5.916 1.00 0.00 H new ATOM 0 HG1 THR A 35 -16.462 1.946 4.667 1.00 0.00 H new ATOM 0 HG21 THR A 35 -17.042 4.087 3.814 1.00 0.00 H new ATOM 0 HG22 THR A 35 -15.751 5.312 3.850 1.00 0.00 H new ATOM 0 HG23 THR A 35 -15.553 3.839 2.871 1.00 0.00 H new ATOM 504 N THR A 36 -13.698 5.906 6.027 1.00 0.00 N ATOM 505 CA THR A 36 -13.343 7.312 6.107 1.00 0.00 C ATOM 506 C THR A 36 -11.944 7.543 5.533 1.00 0.00 C ATOM 507 O THR A 36 -11.797 8.137 4.466 1.00 0.00 O ATOM 508 CB THR A 36 -13.481 7.752 7.566 1.00 0.00 C ATOM 509 OG1 THR A 36 -14.866 7.577 7.852 1.00 0.00 O ATOM 510 CG2 THR A 36 -13.250 9.254 7.749 1.00 0.00 C ATOM 0 H THR A 36 -14.213 5.550 6.832 1.00 0.00 H new ATOM 0 HA THR A 36 -14.013 7.924 5.503 1.00 0.00 H new ATOM 0 HB THR A 36 -12.772 7.198 8.181 1.00 0.00 H new ATOM 0 HG1 THR A 36 -15.044 7.838 8.780 1.00 0.00 H new ATOM 0 HG21 THR A 36 -13.360 9.513 8.802 1.00 0.00 H new ATOM 0 HG22 THR A 36 -12.245 9.511 7.415 1.00 0.00 H new ATOM 0 HG23 THR A 36 -13.981 9.809 7.161 1.00 0.00 H new ATOM 518 N ARG A 37 -10.951 7.060 6.265 1.00 0.00 N ATOM 519 CA ARG A 37 -9.569 7.206 5.842 1.00 0.00 C ATOM 520 C ARG A 37 -9.380 6.627 4.438 1.00 0.00 C ATOM 521 O ARG A 37 -8.993 7.342 3.515 1.00 0.00 O ATOM 522 CB ARG A 37 -8.619 6.498 6.810 1.00 0.00 C ATOM 523 CG ARG A 37 -8.092 7.468 7.869 1.00 0.00 C ATOM 524 CD ARG A 37 -6.626 7.177 8.198 1.00 0.00 C ATOM 525 NE ARG A 37 -6.104 8.201 9.130 1.00 0.00 N ATOM 526 CZ ARG A 37 -6.311 8.189 10.453 1.00 0.00 C ATOM 527 NH1 ARG A 37 -7.032 7.206 11.010 1.00 0.00 N ATOM 528 NH2 ARG A 37 -5.798 9.161 11.221 1.00 0.00 N ATOM 0 H ARG A 37 -11.076 6.567 7.149 1.00 0.00 H new ATOM 0 HA ARG A 37 -9.335 8.271 5.835 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -9.138 5.671 7.295 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -7.784 6.069 6.257 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -8.192 8.493 7.511 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -8.695 7.387 8.774 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -6.534 6.187 8.644 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -6.034 7.170 7.283 1.00 0.00 H new ATOM 0 HE ARG A 37 -5.551 8.964 8.740 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -7.423 6.467 10.426 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -7.189 7.197 12.018 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -5.250 9.910 10.798 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -5.956 9.152 12.229 1.00 0.00 H new ATOM 542 N ARG A 38 -9.662 5.338 4.321 1.00 0.00 N ATOM 543 CA ARG A 38 -9.528 4.655 3.045 1.00 0.00 C ATOM 544 C ARG A 38 -10.012 5.556 1.908 1.00 0.00 C ATOM 545 O ARG A 38 -9.274 5.817 0.960 1.00 0.00 O ATOM 546 CB ARG A 38 -10.329 3.352 3.031 1.00 0.00 C ATOM 547 CG ARG A 38 -10.461 2.805 1.608 1.00 0.00 C ATOM 548 CD ARG A 38 -11.012 1.378 1.619 1.00 0.00 C ATOM 549 NE ARG A 38 -11.414 0.981 0.251 1.00 0.00 N ATOM 550 CZ ARG A 38 -12.614 1.244 -0.286 1.00 0.00 C ATOM 551 NH1 ARG A 38 -13.535 1.906 0.427 1.00 0.00 N ATOM 552 NH2 ARG A 38 -12.891 0.846 -1.534 1.00 0.00 N ATOM 0 H ARG A 38 -9.983 4.748 5.089 1.00 0.00 H new ATOM 0 HA ARG A 38 -8.473 4.421 2.903 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -9.839 2.613 3.665 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -11.320 3.525 3.451 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -11.121 3.449 1.027 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -9.488 2.819 1.117 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -10.256 0.690 1.999 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -11.868 1.315 2.291 1.00 0.00 H new ATOM 0 HE ARG A 38 -10.736 0.476 -0.319 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -13.323 2.209 1.377 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -14.448 2.107 0.019 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -12.189 0.343 -2.076 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -13.804 1.046 -1.942 1.00 0.00 H new ATOM 566 N ALA A 39 -11.251 6.008 2.040 1.00 0.00 N ATOM 567 CA ALA A 39 -11.843 6.874 1.035 1.00 0.00 C ATOM 568 C ALA A 39 -11.111 8.218 1.032 1.00 0.00 C ATOM 569 O ALA A 39 -10.810 8.762 -0.030 1.00 0.00 O ATOM 570 CB ALA A 39 -13.340 7.026 1.310 1.00 0.00 C ATOM 0 H ALA A 39 -11.861 5.790 2.828 1.00 0.00 H new ATOM 0 HA ALA A 39 -11.737 6.438 0.042 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -13.784 7.676 0.556 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -13.818 6.047 1.273 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -13.486 7.464 2.298 1.00 0.00 H new ATOM 576 N LEU A 40 -10.847 8.715 2.231 1.00 0.00 N ATOM 577 CA LEU A 40 -10.157 9.985 2.379 1.00 0.00 C ATOM 578 C LEU A 40 -8.822 9.925 1.634 1.00 0.00 C ATOM 579 O LEU A 40 -8.670 10.533 0.576 1.00 0.00 O ATOM 580 CB LEU A 40 -10.019 10.350 3.859 1.00 0.00 C ATOM 581 CG LEU A 40 -9.525 11.767 4.156 1.00 0.00 C ATOM 582 CD1 LEU A 40 -9.795 12.702 2.976 1.00 0.00 C ATOM 583 CD2 LEU A 40 -10.130 12.297 5.457 1.00 0.00 C ATOM 0 H LEU A 40 -11.098 8.261 3.109 1.00 0.00 H new ATOM 0 HA LEU A 40 -10.738 10.789 1.928 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -10.989 10.217 4.338 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.334 9.642 4.325 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.445 11.729 4.295 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -9.434 13.702 3.214 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -9.277 12.331 2.092 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -10.867 12.740 2.780 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -9.762 13.306 5.645 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -11.216 12.317 5.372 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -9.843 11.647 6.283 1.00 0.00 H new ATOM 595 N LEU A 41 -7.888 9.186 2.216 1.00 0.00 N ATOM 596 CA LEU A 41 -6.571 9.039 1.620 1.00 0.00 C ATOM 597 C LEU A 41 -6.720 8.819 0.113 1.00 0.00 C ATOM 598 O LEU A 41 -6.040 9.465 -0.682 1.00 0.00 O ATOM 599 CB LEU A 41 -5.783 7.935 2.328 1.00 0.00 C ATOM 600 CG LEU A 41 -5.357 8.232 3.767 1.00 0.00 C ATOM 601 CD1 LEU A 41 -4.741 6.995 4.423 1.00 0.00 C ATOM 602 CD2 LEU A 41 -4.418 9.439 3.823 1.00 0.00 C ATOM 0 H LEU A 41 -8.018 8.683 3.094 1.00 0.00 H new ATOM 0 HA LEU A 41 -5.988 9.950 1.753 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -6.388 7.028 2.329 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.889 7.721 1.742 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.247 8.490 4.340 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.447 7.234 5.445 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -5.473 6.187 4.435 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.864 6.682 3.857 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.130 9.629 4.857 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.527 9.234 3.230 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -4.927 10.315 3.422 1.00 0.00 H new ATOM 614 N MET A 42 -7.613 7.904 -0.234 1.00 0.00 N ATOM 615 CA MET A 42 -7.860 7.591 -1.631 1.00 0.00 C ATOM 616 C MET A 42 -8.234 8.849 -2.417 1.00 0.00 C ATOM 617 O MET A 42 -7.812 9.020 -3.560 1.00 0.00 O ATOM 618 CB MET A 42 -8.993 6.568 -1.733 1.00 0.00 C ATOM 619 CG MET A 42 -8.469 5.146 -1.525 1.00 0.00 C ATOM 620 SD MET A 42 -9.821 4.048 -1.134 1.00 0.00 S ATOM 621 CE MET A 42 -11.115 4.788 -2.117 1.00 0.00 C ATOM 0 H MET A 42 -8.175 7.369 0.429 1.00 0.00 H new ATOM 0 HA MET A 42 -6.947 7.177 -2.058 1.00 0.00 H new ATOM 0 HB2 MET A 42 -9.757 6.790 -0.988 1.00 0.00 H new ATOM 0 HB3 MET A 42 -9.470 6.644 -2.710 1.00 0.00 H new ATOM 0 HG2 MET A 42 -7.959 4.802 -2.425 1.00 0.00 H new ATOM 0 HG3 MET A 42 -7.735 5.134 -0.719 1.00 0.00 H new ATOM 0 HE1 MET A 42 -11.970 4.113 -2.161 1.00 0.00 H new ATOM 0 HE2 MET A 42 -11.421 5.732 -1.665 1.00 0.00 H new ATOM 0 HE3 MET A 42 -10.745 4.972 -3.126 1.00 0.00 H new ATOM 631 N GLU A 43 -9.023 9.697 -1.774 1.00 0.00 N ATOM 632 CA GLU A 43 -9.460 10.934 -2.399 1.00 0.00 C ATOM 633 C GLU A 43 -8.323 11.959 -2.397 1.00 0.00 C ATOM 634 O GLU A 43 -8.171 12.724 -3.348 1.00 0.00 O ATOM 635 CB GLU A 43 -10.702 11.492 -1.702 1.00 0.00 C ATOM 636 CG GLU A 43 -10.759 13.016 -1.820 1.00 0.00 C ATOM 637 CD GLU A 43 -12.141 13.545 -1.431 1.00 0.00 C ATOM 638 OE1 GLU A 43 -13.011 13.577 -2.328 1.00 0.00 O ATOM 639 OE2 GLU A 43 -12.297 13.905 -0.244 1.00 0.00 O ATOM 0 H GLU A 43 -9.371 9.552 -0.826 1.00 0.00 H new ATOM 0 HA GLU A 43 -9.730 10.720 -3.433 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -11.598 11.056 -2.144 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -10.693 11.205 -0.650 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -10.001 13.463 -1.177 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -10.526 13.314 -2.842 1.00 0.00 H new ATOM 646 N LEU A 44 -7.555 11.941 -1.318 1.00 0.00 N ATOM 647 CA LEU A 44 -6.437 12.859 -1.180 1.00 0.00 C ATOM 648 C LEU A 44 -5.422 12.591 -2.294 1.00 0.00 C ATOM 649 O LEU A 44 -4.944 13.522 -2.939 1.00 0.00 O ATOM 650 CB LEU A 44 -5.843 12.773 0.227 1.00 0.00 C ATOM 651 CG LEU A 44 -6.758 13.217 1.370 1.00 0.00 C ATOM 652 CD1 LEU A 44 -5.971 13.975 2.440 1.00 0.00 C ATOM 653 CD2 LEU A 44 -7.939 14.034 0.841 1.00 0.00 C ATOM 0 H LEU A 44 -7.685 11.305 -0.531 1.00 0.00 H new ATOM 0 HA LEU A 44 -6.774 13.889 -1.296 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -5.541 11.742 0.410 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -4.938 13.380 0.256 1.00 0.00 H new ATOM 0 HG LEU A 44 -7.169 12.326 1.844 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -6.645 14.279 3.241 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -5.194 13.328 2.846 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -5.512 14.859 1.997 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -8.574 14.337 1.674 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -7.567 14.920 0.327 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -8.519 13.427 0.145 1.00 0.00 H new ATOM 665 N ALA A 45 -5.124 11.314 -2.484 1.00 0.00 N ATOM 666 CA ALA A 45 -4.175 10.912 -3.508 1.00 0.00 C ATOM 667 C ALA A 45 -4.658 11.414 -4.870 1.00 0.00 C ATOM 668 O ALA A 45 -3.906 12.056 -5.602 1.00 0.00 O ATOM 669 CB ALA A 45 -4.000 9.393 -3.475 1.00 0.00 C ATOM 0 H ALA A 45 -5.523 10.545 -1.946 1.00 0.00 H new ATOM 0 HA ALA A 45 -3.197 11.356 -3.320 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -3.288 9.092 -4.243 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -3.627 9.091 -2.496 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -4.960 8.912 -3.662 1.00 0.00 H new ATOM 675 N ARG A 46 -5.910 11.101 -5.170 1.00 0.00 N ATOM 676 CA ARG A 46 -6.502 11.512 -6.432 1.00 0.00 C ATOM 677 C ARG A 46 -6.282 13.009 -6.659 1.00 0.00 C ATOM 678 O ARG A 46 -5.843 13.419 -7.732 1.00 0.00 O ATOM 679 CB ARG A 46 -8.003 11.215 -6.458 1.00 0.00 C ATOM 680 CG ARG A 46 -8.265 9.741 -6.775 1.00 0.00 C ATOM 681 CD ARG A 46 -9.693 9.535 -7.285 1.00 0.00 C ATOM 682 NE ARG A 46 -10.518 8.900 -6.234 1.00 0.00 N ATOM 683 CZ ARG A 46 -11.172 9.577 -5.280 1.00 0.00 C ATOM 684 NH1 ARG A 46 -11.101 10.914 -5.239 1.00 0.00 N ATOM 685 NH2 ARG A 46 -11.898 8.917 -4.367 1.00 0.00 N ATOM 0 H ARG A 46 -6.531 10.568 -4.561 1.00 0.00 H new ATOM 0 HA ARG A 46 -6.016 10.945 -7.226 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -8.444 11.467 -5.494 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -8.489 11.843 -7.205 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -7.554 9.395 -7.525 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -8.104 9.139 -5.881 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -10.128 10.493 -7.571 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -9.683 8.910 -8.178 1.00 0.00 H new ATOM 0 HE ARG A 46 -10.594 7.883 -6.235 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -10.549 11.417 -5.934 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -11.599 11.429 -4.513 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -11.953 7.899 -4.398 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -12.396 9.433 -3.641 1.00 0.00 H new ATOM 699 N ARG A 47 -6.597 13.784 -5.632 1.00 0.00 N ATOM 700 CA ARG A 47 -6.438 15.226 -5.706 1.00 0.00 C ATOM 701 C ARG A 47 -5.032 15.582 -6.193 1.00 0.00 C ATOM 702 O ARG A 47 -4.845 16.580 -6.887 1.00 0.00 O ATOM 703 CB ARG A 47 -6.678 15.878 -4.343 1.00 0.00 C ATOM 704 CG ARG A 47 -8.168 15.885 -3.993 1.00 0.00 C ATOM 705 CD ARG A 47 -8.450 16.819 -2.814 1.00 0.00 C ATOM 706 NE ARG A 47 -8.796 18.170 -3.311 1.00 0.00 N ATOM 707 CZ ARG A 47 -9.313 19.141 -2.546 1.00 0.00 C ATOM 708 NH1 ARG A 47 -9.547 18.918 -1.246 1.00 0.00 N ATOM 709 NH2 ARG A 47 -9.596 20.336 -3.082 1.00 0.00 N ATOM 0 H ARG A 47 -6.962 13.440 -4.744 1.00 0.00 H new ATOM 0 HA ARG A 47 -7.177 15.604 -6.412 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -6.123 15.339 -3.575 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -6.298 16.900 -4.353 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -8.747 16.203 -4.860 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -8.492 14.874 -3.746 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -9.268 16.423 -2.213 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -7.576 16.874 -2.165 1.00 0.00 H new ATOM 0 HE ARG A 47 -8.631 18.374 -4.297 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -9.332 18.008 -0.838 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -9.941 19.658 -0.664 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -9.418 20.506 -4.072 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -9.990 21.076 -2.500 1.00 0.00 H new ATOM 723 N LYS A 48 -4.079 14.745 -5.810 1.00 0.00 N ATOM 724 CA LYS A 48 -2.695 14.958 -6.199 1.00 0.00 C ATOM 725 C LYS A 48 -2.544 14.689 -7.697 1.00 0.00 C ATOM 726 O LYS A 48 -1.652 15.238 -8.343 1.00 0.00 O ATOM 727 CB LYS A 48 -1.758 14.120 -5.326 1.00 0.00 C ATOM 728 CG LYS A 48 -1.915 14.482 -3.848 1.00 0.00 C ATOM 729 CD LYS A 48 -1.312 15.857 -3.553 1.00 0.00 C ATOM 730 CE LYS A 48 -1.338 16.157 -2.053 1.00 0.00 C ATOM 731 NZ LYS A 48 -0.714 17.470 -1.776 1.00 0.00 N ATOM 0 H LYS A 48 -4.238 13.918 -5.234 1.00 0.00 H new ATOM 0 HA LYS A 48 -2.407 15.996 -6.030 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -1.972 13.061 -5.469 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -0.725 14.281 -5.636 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -2.971 14.479 -3.579 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -1.427 13.727 -3.231 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -0.285 15.893 -3.917 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -1.868 16.625 -4.091 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -2.367 16.154 -1.693 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -0.808 15.374 -1.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -0.740 17.658 -0.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 0.274 17.460 -2.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -1.237 18.216 -2.278 1.00 0.00 H new ATOM 745 N GLY A 49 -3.429 13.845 -8.207 1.00 0.00 N ATOM 746 CA GLY A 49 -3.405 13.497 -9.618 1.00 0.00 C ATOM 747 C GLY A 49 -3.271 11.985 -9.807 1.00 0.00 C ATOM 748 O GLY A 49 -3.290 11.493 -10.934 1.00 0.00 O ATOM 0 H GLY A 49 -4.167 13.392 -7.668 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -4.318 13.848 -10.098 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -2.573 14.003 -10.107 1.00 0.00 H new ATOM 752 N PHE A 50 -3.138 11.290 -8.687 1.00 0.00 N ATOM 753 CA PHE A 50 -3.001 9.844 -8.716 1.00 0.00 C ATOM 754 C PHE A 50 -4.297 9.179 -9.182 1.00 0.00 C ATOM 755 O PHE A 50 -5.373 9.767 -9.078 1.00 0.00 O ATOM 756 CB PHE A 50 -2.697 9.395 -7.285 1.00 0.00 C ATOM 757 CG PHE A 50 -1.206 9.378 -6.941 1.00 0.00 C ATOM 758 CD1 PHE A 50 -0.328 8.730 -7.754 1.00 0.00 C ATOM 759 CD2 PHE A 50 -0.759 10.010 -5.823 1.00 0.00 C ATOM 760 CE1 PHE A 50 1.055 8.714 -7.435 1.00 0.00 C ATOM 761 CE2 PHE A 50 0.625 9.994 -5.504 1.00 0.00 C ATOM 762 CZ PHE A 50 1.503 9.347 -6.317 1.00 0.00 C ATOM 0 H PHE A 50 -3.122 11.701 -7.754 1.00 0.00 H new ATOM 0 HA PHE A 50 -2.209 9.559 -9.409 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -3.212 10.058 -6.590 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -3.106 8.396 -7.134 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -0.683 8.228 -8.642 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -1.456 10.524 -5.178 1.00 0.00 H new ATOM 0 HE1 PHE A 50 1.752 8.199 -8.080 1.00 0.00 H new ATOM 0 HE2 PHE A 50 0.980 10.496 -4.616 1.00 0.00 H new ATOM 0 HZ PHE A 50 2.555 9.336 -6.075 1.00 0.00 H new ATOM 772 N ARG A 51 -4.153 7.962 -9.685 1.00 0.00 N ATOM 773 CA ARG A 51 -5.300 7.211 -10.167 1.00 0.00 C ATOM 774 C ARG A 51 -5.717 6.160 -9.136 1.00 0.00 C ATOM 775 O ARG A 51 -5.387 4.983 -9.276 1.00 0.00 O ATOM 776 CB ARG A 51 -4.985 6.517 -11.494 1.00 0.00 C ATOM 777 CG ARG A 51 -6.167 5.664 -11.960 1.00 0.00 C ATOM 778 CD ARG A 51 -5.765 4.763 -13.130 1.00 0.00 C ATOM 779 NE ARG A 51 -6.340 5.283 -14.390 1.00 0.00 N ATOM 780 CZ ARG A 51 -5.752 6.210 -15.158 1.00 0.00 C ATOM 781 NH1 ARG A 51 -4.568 6.725 -14.799 1.00 0.00 N ATOM 782 NH2 ARG A 51 -6.347 6.622 -16.286 1.00 0.00 N ATOM 0 H ARG A 51 -3.260 7.477 -9.769 1.00 0.00 H new ATOM 0 HA ARG A 51 -6.117 7.916 -10.323 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -4.749 7.264 -12.252 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -4.101 5.889 -11.380 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -6.528 5.053 -11.133 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -6.991 6.311 -12.261 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -4.679 4.717 -13.208 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -6.115 3.746 -12.953 1.00 0.00 H new ATOM 0 HE ARG A 51 -7.241 4.912 -14.693 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -4.114 6.411 -13.941 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -4.120 7.431 -15.384 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -7.248 6.230 -16.560 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -5.899 7.328 -16.870 1.00 0.00 H new ATOM 796 N VAL A 52 -6.438 6.622 -8.125 1.00 0.00 N ATOM 797 CA VAL A 52 -6.904 5.737 -7.072 1.00 0.00 C ATOM 798 C VAL A 52 -8.154 4.996 -7.550 1.00 0.00 C ATOM 799 O VAL A 52 -8.890 5.497 -8.399 1.00 0.00 O ATOM 800 CB VAL A 52 -7.135 6.531 -5.785 1.00 0.00 C ATOM 801 CG1 VAL A 52 -7.389 5.595 -4.601 1.00 0.00 C ATOM 802 CG2 VAL A 52 -5.961 7.469 -5.501 1.00 0.00 C ATOM 0 H VAL A 52 -6.711 7.598 -8.013 1.00 0.00 H new ATOM 0 HA VAL A 52 -6.149 4.985 -6.843 1.00 0.00 H new ATOM 0 HB VAL A 52 -8.026 7.143 -5.925 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -7.550 6.185 -3.699 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -8.272 4.988 -4.800 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -6.526 4.944 -4.460 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -6.151 8.021 -4.581 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.047 6.885 -5.392 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -5.847 8.170 -6.328 1.00 0.00 H new ATOM 812 N GLU A 53 -8.356 3.815 -6.985 1.00 0.00 N ATOM 813 CA GLU A 53 -9.505 3.000 -7.343 1.00 0.00 C ATOM 814 C GLU A 53 -10.225 2.516 -6.083 1.00 0.00 C ATOM 815 O GLU A 53 -9.584 2.131 -5.106 1.00 0.00 O ATOM 816 CB GLU A 53 -9.087 1.821 -8.224 1.00 0.00 C ATOM 817 CG GLU A 53 -8.377 2.306 -9.489 1.00 0.00 C ATOM 818 CD GLU A 53 -9.360 2.992 -10.440 1.00 0.00 C ATOM 819 OE1 GLU A 53 -10.429 2.392 -10.681 1.00 0.00 O ATOM 820 OE2 GLU A 53 -9.019 4.101 -10.906 1.00 0.00 O ATOM 0 H GLU A 53 -7.743 3.403 -6.282 1.00 0.00 H new ATOM 0 HA GLU A 53 -10.197 3.614 -7.920 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -8.427 1.160 -7.663 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -9.966 1.237 -8.497 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -7.581 3.000 -9.220 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -7.907 1.462 -9.993 1.00 0.00 H new ATOM 827 N ASN A 54 -11.548 2.550 -6.146 1.00 0.00 N ATOM 828 CA ASN A 54 -12.363 2.119 -5.023 1.00 0.00 C ATOM 829 C ASN A 54 -12.342 0.592 -4.940 1.00 0.00 C ATOM 830 O ASN A 54 -12.399 0.025 -3.849 1.00 0.00 O ATOM 831 CB ASN A 54 -13.817 2.563 -5.195 1.00 0.00 C ATOM 832 CG ASN A 54 -14.176 3.664 -4.194 1.00 0.00 C ATOM 833 OD1 ASN A 54 -14.616 3.410 -3.085 1.00 0.00 O ATOM 834 ND2 ASN A 54 -13.965 4.896 -4.647 1.00 0.00 N ATOM 0 H ASN A 54 -12.076 2.870 -6.958 1.00 0.00 H new ATOM 0 HA ASN A 54 -11.954 2.567 -4.118 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -13.973 2.925 -6.211 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -14.481 1.710 -5.056 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -14.174 5.700 -4.055 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -13.594 5.037 -5.587 1.00 0.00 H new ATOM 841 N GLU A 55 -12.259 -0.032 -6.106 1.00 0.00 N ATOM 842 CA GLU A 55 -12.230 -1.483 -6.178 1.00 0.00 C ATOM 843 C GLU A 55 -10.958 -1.953 -6.887 1.00 0.00 C ATOM 844 O GLU A 55 -10.432 -1.256 -7.753 1.00 0.00 O ATOM 845 CB GLU A 55 -13.479 -2.022 -6.878 1.00 0.00 C ATOM 846 CG GLU A 55 -13.560 -1.518 -8.320 1.00 0.00 C ATOM 847 CD GLU A 55 -14.531 -2.367 -9.144 1.00 0.00 C ATOM 848 OE1 GLU A 55 -14.426 -3.608 -9.042 1.00 0.00 O ATOM 849 OE2 GLU A 55 -15.355 -1.755 -9.857 1.00 0.00 O ATOM 0 H GLU A 55 -12.211 0.441 -7.009 1.00 0.00 H new ATOM 0 HA GLU A 55 -12.224 -1.878 -5.162 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -13.463 -3.112 -6.870 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -14.369 -1.713 -6.330 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -13.885 -0.477 -8.328 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -12.570 -1.546 -8.775 1.00 0.00 H new ATOM 856 N LEU A 56 -10.500 -3.132 -6.492 1.00 0.00 N ATOM 857 CA LEU A 56 -9.300 -3.704 -7.079 1.00 0.00 C ATOM 858 C LEU A 56 -9.545 -3.980 -8.563 1.00 0.00 C ATOM 859 O LEU A 56 -10.668 -4.281 -8.965 1.00 0.00 O ATOM 860 CB LEU A 56 -8.853 -4.936 -6.289 1.00 0.00 C ATOM 861 CG LEU A 56 -7.667 -5.709 -6.869 1.00 0.00 C ATOM 862 CD1 LEU A 56 -6.380 -4.886 -6.783 1.00 0.00 C ATOM 863 CD2 LEU A 56 -7.520 -7.075 -6.194 1.00 0.00 C ATOM 0 H LEU A 56 -10.938 -3.707 -5.772 1.00 0.00 H new ATOM 0 HA LEU A 56 -8.472 -2.998 -7.019 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -8.597 -4.621 -5.277 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -9.700 -5.617 -6.206 1.00 0.00 H new ATOM 0 HG LEU A 56 -7.862 -5.891 -7.926 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -5.553 -5.459 -7.202 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -6.502 -3.960 -7.345 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -6.167 -4.651 -5.740 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -6.670 -7.604 -6.625 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -7.358 -6.937 -5.125 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -8.427 -7.658 -6.351 1.00 0.00 H new ATOM 875 N SER A 57 -8.476 -3.867 -9.338 1.00 0.00 N ATOM 876 CA SER A 57 -8.561 -4.101 -10.769 1.00 0.00 C ATOM 877 C SER A 57 -7.183 -4.473 -11.321 1.00 0.00 C ATOM 878 O SER A 57 -6.181 -4.380 -10.614 1.00 0.00 O ATOM 879 CB SER A 57 -9.109 -2.872 -11.496 1.00 0.00 C ATOM 880 OG SER A 57 -10.534 -2.866 -11.534 1.00 0.00 O ATOM 0 H SER A 57 -7.546 -3.616 -9.001 1.00 0.00 H new ATOM 0 HA SER A 57 -9.250 -4.928 -10.940 1.00 0.00 H new ATOM 0 HB2 SER A 57 -8.756 -1.969 -10.998 1.00 0.00 H new ATOM 0 HB3 SER A 57 -8.719 -2.849 -12.514 1.00 0.00 H new ATOM 0 HG SER A 57 -10.885 -3.297 -10.727 1.00 0.00 H new ATOM 886 N ASP A 58 -7.177 -4.887 -12.580 1.00 0.00 N ATOM 887 CA ASP A 58 -5.939 -5.273 -13.235 1.00 0.00 C ATOM 888 C ASP A 58 -5.076 -4.030 -13.459 1.00 0.00 C ATOM 889 O ASP A 58 -3.896 -4.140 -13.789 1.00 0.00 O ATOM 890 CB ASP A 58 -6.213 -5.911 -14.598 1.00 0.00 C ATOM 891 CG ASP A 58 -6.814 -4.970 -15.643 1.00 0.00 C ATOM 892 OD1 ASP A 58 -7.925 -4.463 -15.378 1.00 0.00 O ATOM 893 OD2 ASP A 58 -6.149 -4.778 -16.684 1.00 0.00 O ATOM 0 H ASP A 58 -8.010 -4.963 -13.164 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.430 -5.994 -12.595 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.278 -6.314 -14.988 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -6.890 -6.754 -14.458 1.00 0.00 H new ATOM 898 N SER A 59 -5.698 -2.875 -13.272 1.00 0.00 N ATOM 899 CA SER A 59 -5.002 -1.612 -13.450 1.00 0.00 C ATOM 900 C SER A 59 -4.223 -1.261 -12.181 1.00 0.00 C ATOM 901 O SER A 59 -3.301 -0.447 -12.219 1.00 0.00 O ATOM 902 CB SER A 59 -5.980 -0.489 -13.801 1.00 0.00 C ATOM 903 OG SER A 59 -6.059 -0.271 -15.207 1.00 0.00 O ATOM 0 H SER A 59 -6.677 -2.787 -12.999 1.00 0.00 H new ATOM 0 HA SER A 59 -4.303 -1.720 -14.279 1.00 0.00 H new ATOM 0 HB2 SER A 59 -6.969 -0.736 -13.416 1.00 0.00 H new ATOM 0 HB3 SER A 59 -5.667 0.432 -13.308 1.00 0.00 H new ATOM 0 HG SER A 59 -6.695 0.452 -15.391 1.00 0.00 H new ATOM 909 N VAL A 60 -4.623 -1.891 -11.086 1.00 0.00 N ATOM 910 CA VAL A 60 -3.974 -1.654 -9.808 1.00 0.00 C ATOM 911 C VAL A 60 -2.504 -2.065 -9.903 1.00 0.00 C ATOM 912 O VAL A 60 -2.194 -3.242 -10.081 1.00 0.00 O ATOM 913 CB VAL A 60 -4.728 -2.386 -8.695 1.00 0.00 C ATOM 914 CG1 VAL A 60 -3.931 -2.367 -7.389 1.00 0.00 C ATOM 915 CG2 VAL A 60 -6.123 -1.791 -8.495 1.00 0.00 C ATOM 0 H VAL A 60 -5.388 -2.565 -11.058 1.00 0.00 H new ATOM 0 HA VAL A 60 -4.000 -0.593 -9.558 1.00 0.00 H new ATOM 0 HB VAL A 60 -4.848 -3.426 -8.999 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.489 -2.894 -6.615 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -2.970 -2.859 -7.542 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.765 -1.335 -7.079 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -6.637 -2.329 -7.699 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -6.034 -0.739 -8.224 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.693 -1.880 -9.420 1.00 0.00 H new ATOM 925 N THR A 61 -1.636 -1.072 -9.782 1.00 0.00 N ATOM 926 CA THR A 61 -0.205 -1.315 -9.852 1.00 0.00 C ATOM 927 C THR A 61 0.429 -1.173 -8.467 1.00 0.00 C ATOM 928 O THR A 61 1.536 -1.656 -8.235 1.00 0.00 O ATOM 929 CB THR A 61 0.386 -0.361 -10.892 1.00 0.00 C ATOM 930 OG1 THR A 61 0.128 0.936 -10.360 1.00 0.00 O ATOM 931 CG2 THR A 61 -0.386 -0.382 -12.213 1.00 0.00 C ATOM 0 H THR A 61 -1.896 -0.097 -9.636 1.00 0.00 H new ATOM 0 HA THR A 61 0.008 -2.336 -10.168 1.00 0.00 H new ATOM 0 HB THR A 61 1.427 -0.626 -11.076 1.00 0.00 H new ATOM 0 HG1 THR A 61 0.367 0.953 -9.410 1.00 0.00 H new ATOM 0 HG21 THR A 61 0.075 0.313 -12.915 1.00 0.00 H new ATOM 0 HG22 THR A 61 -0.364 -1.388 -12.631 1.00 0.00 H new ATOM 0 HG23 THR A 61 -1.420 -0.085 -12.035 1.00 0.00 H new ATOM 939 N HIS A 62 -0.299 -0.507 -7.584 1.00 0.00 N ATOM 940 CA HIS A 62 0.178 -0.295 -6.228 1.00 0.00 C ATOM 941 C HIS A 62 -0.988 -0.430 -5.246 1.00 0.00 C ATOM 942 O HIS A 62 -2.008 0.241 -5.393 1.00 0.00 O ATOM 943 CB HIS A 62 0.900 1.049 -6.110 1.00 0.00 C ATOM 944 CG HIS A 62 1.845 1.340 -7.251 1.00 0.00 C ATOM 945 ND1 HIS A 62 1.467 2.055 -8.374 1.00 0.00 N ATOM 946 CD2 HIS A 62 3.156 1.007 -7.430 1.00 0.00 C ATOM 947 CE1 HIS A 62 2.510 2.141 -9.186 1.00 0.00 C ATOM 948 NE2 HIS A 62 3.556 1.491 -8.599 1.00 0.00 N ATOM 0 H HIS A 62 -1.216 -0.107 -7.781 1.00 0.00 H new ATOM 0 HA HIS A 62 0.912 -1.060 -5.973 1.00 0.00 H new ATOM 0 HB2 HIS A 62 0.158 1.845 -6.054 1.00 0.00 H new ATOM 0 HB3 HIS A 62 1.459 1.069 -5.175 1.00 0.00 H new ATOM 0 HD2 HIS A 62 3.765 0.445 -6.738 1.00 0.00 H new ATOM 0 HE1 HIS A 62 2.529 2.638 -10.144 1.00 0.00 H new ATOM 0 HE2 HIS A 62 4.491 1.393 -8.994 1.00 0.00 H new ATOM 956 N ILE A 63 -0.798 -1.302 -4.267 1.00 0.00 N ATOM 957 CA ILE A 63 -1.821 -1.534 -3.262 1.00 0.00 C ATOM 958 C ILE A 63 -1.330 -1.009 -1.911 1.00 0.00 C ATOM 959 O ILE A 63 -0.287 -1.435 -1.417 1.00 0.00 O ATOM 960 CB ILE A 63 -2.225 -3.009 -3.239 1.00 0.00 C ATOM 961 CG1 ILE A 63 -3.027 -3.378 -4.488 1.00 0.00 C ATOM 962 CG2 ILE A 63 -2.978 -3.351 -1.952 1.00 0.00 C ATOM 963 CD1 ILE A 63 -3.179 -4.895 -4.615 1.00 0.00 C ATOM 0 H ILE A 63 0.050 -1.857 -4.148 1.00 0.00 H new ATOM 0 HA ILE A 63 -2.729 -0.983 -3.508 1.00 0.00 H new ATOM 0 HB ILE A 63 -1.317 -3.612 -3.251 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -4.012 -2.913 -4.442 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -2.529 -2.984 -5.374 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -3.254 -4.406 -1.961 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -2.339 -3.150 -1.092 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -3.879 -2.741 -1.884 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.753 -5.129 -5.511 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -2.193 -5.355 -4.685 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -3.699 -5.283 -3.739 1.00 0.00 H new ATOM 975 N VAL A 64 -2.105 -0.093 -1.351 1.00 0.00 N ATOM 976 CA VAL A 64 -1.762 0.494 -0.067 1.00 0.00 C ATOM 977 C VAL A 64 -2.488 -0.265 1.046 1.00 0.00 C ATOM 978 O VAL A 64 -3.629 -0.689 0.871 1.00 0.00 O ATOM 979 CB VAL A 64 -2.080 1.991 -0.074 1.00 0.00 C ATOM 980 CG1 VAL A 64 -1.986 2.578 1.336 1.00 0.00 C ATOM 981 CG2 VAL A 64 -1.163 2.741 -1.042 1.00 0.00 C ATOM 0 H VAL A 64 -2.970 0.258 -1.763 1.00 0.00 H new ATOM 0 HA VAL A 64 -0.692 0.403 0.121 1.00 0.00 H new ATOM 0 HB VAL A 64 -3.106 2.114 -0.420 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -2.217 3.643 1.303 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -2.698 2.073 1.989 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -0.976 2.437 1.722 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -1.410 3.803 -1.028 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -0.125 2.606 -0.739 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -1.300 2.350 -2.050 1.00 0.00 H new ATOM 991 N ALA A 65 -1.795 -0.413 2.166 1.00 0.00 N ATOM 992 CA ALA A 65 -2.359 -1.114 3.307 1.00 0.00 C ATOM 993 C ALA A 65 -1.699 -0.605 4.590 1.00 0.00 C ATOM 994 O ALA A 65 -0.479 -0.669 4.732 1.00 0.00 O ATOM 995 CB ALA A 65 -2.182 -2.622 3.119 1.00 0.00 C ATOM 0 H ALA A 65 -0.849 -0.060 2.307 1.00 0.00 H new ATOM 0 HA ALA A 65 -3.428 -0.919 3.387 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -2.605 -3.148 3.975 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -2.694 -2.938 2.210 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -1.121 -2.856 3.038 1.00 0.00 H new ATOM 1001 N GLU A 66 -2.534 -0.111 5.492 1.00 0.00 N ATOM 1002 CA GLU A 66 -2.047 0.409 6.758 1.00 0.00 C ATOM 1003 C GLU A 66 -2.029 -0.698 7.815 1.00 0.00 C ATOM 1004 O GLU A 66 -3.008 -1.427 7.972 1.00 0.00 O ATOM 1005 CB GLU A 66 -2.889 1.598 7.224 1.00 0.00 C ATOM 1006 CG GLU A 66 -3.168 1.517 8.726 1.00 0.00 C ATOM 1007 CD GLU A 66 -3.993 2.718 9.195 1.00 0.00 C ATOM 1008 OE1 GLU A 66 -3.364 3.750 9.510 1.00 0.00 O ATOM 1009 OE2 GLU A 66 -5.234 2.575 9.229 1.00 0.00 O ATOM 0 H GLU A 66 -3.546 -0.060 5.371 1.00 0.00 H new ATOM 0 HA GLU A 66 -1.027 0.764 6.614 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -2.368 2.528 6.997 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -3.831 1.618 6.676 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -3.702 0.594 8.951 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -2.226 1.482 9.273 1.00 0.00 H new ATOM 1016 N ASN A 67 -0.906 -0.789 8.512 1.00 0.00 N ATOM 1017 CA ASN A 67 -0.749 -1.794 9.549 1.00 0.00 C ATOM 1018 C ASN A 67 -0.522 -3.161 8.899 1.00 0.00 C ATOM 1019 O ASN A 67 0.490 -3.813 9.152 1.00 0.00 O ATOM 1020 CB ASN A 67 -2.002 -1.888 10.421 1.00 0.00 C ATOM 1021 CG ASN A 67 -1.654 -1.722 11.901 1.00 0.00 C ATOM 1022 OD1 ASN A 67 -0.691 -2.276 12.405 1.00 0.00 O ATOM 1023 ND2 ASN A 67 -2.490 -0.932 12.568 1.00 0.00 N ATOM 0 H ASN A 67 -0.096 -0.183 8.379 1.00 0.00 H new ATOM 0 HA ASN A 67 0.101 -1.507 10.169 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -2.715 -1.119 10.123 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -2.487 -2.851 10.264 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -2.344 -0.759 13.563 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -3.277 -0.499 12.085 1.00 0.00 H new ATOM 1030 N ASN A 68 -1.481 -3.553 8.073 1.00 0.00 N ATOM 1031 CA ASN A 68 -1.399 -4.830 7.384 1.00 0.00 C ATOM 1032 C ASN A 68 0.014 -5.014 6.826 1.00 0.00 C ATOM 1033 O ASN A 68 0.646 -4.049 6.398 1.00 0.00 O ATOM 1034 CB ASN A 68 -2.381 -4.888 6.213 1.00 0.00 C ATOM 1035 CG ASN A 68 -3.779 -5.287 6.689 1.00 0.00 C ATOM 1036 OD1 ASN A 68 -4.744 -4.467 6.280 1.00 0.00 O flip ATOM 1037 ND2 ASN A 68 -3.970 -6.272 7.382 1.00 0.00 N flip ATOM 0 H ASN A 68 -2.319 -3.009 7.865 1.00 0.00 H new ATOM 0 HA ASN A 68 -1.644 -5.615 8.099 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -2.424 -3.916 5.721 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -2.027 -5.605 5.472 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -3.184 -6.860 7.661 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -4.916 -6.508 7.683 1.00 0.00 H new ATOM 1044 N SER A 69 0.468 -6.258 6.848 1.00 0.00 N ATOM 1045 CA SER A 69 1.794 -6.581 6.350 1.00 0.00 C ATOM 1046 C SER A 69 1.697 -7.140 4.929 1.00 0.00 C ATOM 1047 O SER A 69 0.645 -7.628 4.520 1.00 0.00 O ATOM 1048 CB SER A 69 2.499 -7.581 7.267 1.00 0.00 C ATOM 1049 OG SER A 69 2.572 -7.114 8.612 1.00 0.00 O ATOM 0 H SER A 69 -0.060 -7.055 7.203 1.00 0.00 H new ATOM 0 HA SER A 69 2.386 -5.666 6.334 1.00 0.00 H new ATOM 0 HB2 SER A 69 1.968 -8.532 7.242 1.00 0.00 H new ATOM 0 HB3 SER A 69 3.506 -7.768 6.893 1.00 0.00 H new ATOM 0 HG SER A 69 3.028 -7.782 9.166 1.00 0.00 H new ATOM 1055 N GLY A 70 2.810 -7.050 4.215 1.00 0.00 N ATOM 1056 CA GLY A 70 2.864 -7.541 2.848 1.00 0.00 C ATOM 1057 C GLY A 70 2.205 -8.917 2.734 1.00 0.00 C ATOM 1058 O GLY A 70 1.624 -9.247 1.701 1.00 0.00 O ATOM 0 H GLY A 70 3.681 -6.645 4.557 1.00 0.00 H new ATOM 0 HA2 GLY A 70 2.362 -6.837 2.185 1.00 0.00 H new ATOM 0 HA3 GLY A 70 3.902 -7.602 2.520 1.00 0.00 H new ATOM 1062 N SER A 71 2.317 -9.683 3.809 1.00 0.00 N ATOM 1063 CA SER A 71 1.739 -11.015 3.842 1.00 0.00 C ATOM 1064 C SER A 71 0.213 -10.924 3.873 1.00 0.00 C ATOM 1065 O SER A 71 -0.467 -11.541 3.054 1.00 0.00 O ATOM 1066 CB SER A 71 2.248 -11.806 5.049 1.00 0.00 C ATOM 1067 OG SER A 71 2.050 -11.101 6.272 1.00 0.00 O ATOM 0 H SER A 71 2.800 -9.406 4.664 1.00 0.00 H new ATOM 0 HA SER A 71 2.046 -11.543 2.939 1.00 0.00 H new ATOM 0 HB2 SER A 71 1.733 -12.766 5.097 1.00 0.00 H new ATOM 0 HB3 SER A 71 3.309 -12.019 4.921 1.00 0.00 H new ATOM 0 HG SER A 71 2.386 -11.640 7.018 1.00 0.00 H new ATOM 1073 N ASP A 72 -0.283 -10.148 4.826 1.00 0.00 N ATOM 1074 CA ASP A 72 -1.717 -9.967 4.974 1.00 0.00 C ATOM 1075 C ASP A 72 -2.314 -9.537 3.632 1.00 0.00 C ATOM 1076 O ASP A 72 -3.304 -10.107 3.178 1.00 0.00 O ATOM 1077 CB ASP A 72 -2.032 -8.878 6.002 1.00 0.00 C ATOM 1078 CG ASP A 72 -2.513 -9.392 7.360 1.00 0.00 C ATOM 1079 OD1 ASP A 72 -1.856 -10.317 7.883 1.00 0.00 O ATOM 1080 OD2 ASP A 72 -3.528 -8.847 7.845 1.00 0.00 O ATOM 0 H ASP A 72 0.283 -9.637 5.503 1.00 0.00 H new ATOM 0 HA ASP A 72 -2.143 -10.913 5.309 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -1.138 -8.274 6.155 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -2.795 -8.219 5.589 1.00 0.00 H new ATOM 1085 N VAL A 73 -1.685 -8.535 3.035 1.00 0.00 N ATOM 1086 CA VAL A 73 -2.141 -8.023 1.754 1.00 0.00 C ATOM 1087 C VAL A 73 -2.031 -9.125 0.700 1.00 0.00 C ATOM 1088 O VAL A 73 -2.939 -9.308 -0.110 1.00 0.00 O ATOM 1089 CB VAL A 73 -1.356 -6.762 1.385 1.00 0.00 C ATOM 1090 CG1 VAL A 73 -1.906 -6.129 0.106 1.00 0.00 C ATOM 1091 CG2 VAL A 73 -1.358 -5.757 2.539 1.00 0.00 C ATOM 0 H VAL A 73 -0.864 -8.064 3.415 1.00 0.00 H new ATOM 0 HA VAL A 73 -3.190 -7.732 1.811 1.00 0.00 H new ATOM 0 HB VAL A 73 -0.323 -7.054 1.197 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -1.331 -5.235 -0.134 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -1.828 -6.842 -0.715 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -2.952 -5.859 0.254 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -0.793 -4.870 2.250 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -2.384 -5.474 2.773 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -0.898 -6.210 3.417 1.00 0.00 H new ATOM 1101 N LEU A 74 -0.912 -9.833 0.744 1.00 0.00 N ATOM 1102 CA LEU A 74 -0.671 -10.913 -0.198 1.00 0.00 C ATOM 1103 C LEU A 74 -1.813 -11.927 -0.107 1.00 0.00 C ATOM 1104 O LEU A 74 -2.546 -12.130 -1.073 1.00 0.00 O ATOM 1105 CB LEU A 74 0.713 -11.523 0.029 1.00 0.00 C ATOM 1106 CG LEU A 74 1.843 -10.965 -0.838 1.00 0.00 C ATOM 1107 CD1 LEU A 74 3.208 -11.432 -0.328 1.00 0.00 C ATOM 1108 CD2 LEU A 74 1.630 -11.320 -2.311 1.00 0.00 C ATOM 0 H LEU A 74 -0.162 -9.680 1.418 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.662 -10.533 -1.220 1.00 0.00 H new ATOM 0 HB2 LEU A 74 0.982 -11.383 1.076 1.00 0.00 H new ATOM 0 HB3 LEU A 74 0.647 -12.597 -0.142 1.00 0.00 H new ATOM 0 HG LEU A 74 1.826 -9.878 -0.763 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.993 -11.021 -0.962 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.351 -11.087 0.696 1.00 0.00 H new ATOM 0 HD13 LEU A 74 3.253 -12.521 -0.354 1.00 0.00 H new ATOM 0 HD21 LEU A 74 2.447 -10.912 -2.906 1.00 0.00 H new ATOM 0 HD22 LEU A 74 1.605 -12.404 -2.424 1.00 0.00 H new ATOM 0 HD23 LEU A 74 0.685 -10.898 -2.654 1.00 0.00 H new ATOM 1120 N GLU A 75 -1.928 -12.536 1.064 1.00 0.00 N ATOM 1121 CA GLU A 75 -2.969 -13.524 1.294 1.00 0.00 C ATOM 1122 C GLU A 75 -4.306 -13.026 0.741 1.00 0.00 C ATOM 1123 O GLU A 75 -5.085 -13.805 0.196 1.00 0.00 O ATOM 1124 CB GLU A 75 -3.083 -13.864 2.782 1.00 0.00 C ATOM 1125 CG GLU A 75 -1.771 -14.444 3.314 1.00 0.00 C ATOM 1126 CD GLU A 75 -2.010 -15.774 4.031 1.00 0.00 C ATOM 1127 OE1 GLU A 75 -2.636 -15.731 5.113 1.00 0.00 O ATOM 1128 OE2 GLU A 75 -1.563 -16.804 3.482 1.00 0.00 O ATOM 0 H GLU A 75 -1.318 -12.365 1.863 1.00 0.00 H new ATOM 0 HA GLU A 75 -2.698 -14.438 0.766 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -3.343 -12.967 3.345 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -3.890 -14.581 2.934 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -1.074 -14.592 2.489 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -1.308 -13.735 4.000 1.00 0.00 H new ATOM 1135 N TRP A 76 -4.530 -11.730 0.902 1.00 0.00 N ATOM 1136 CA TRP A 76 -5.759 -11.118 0.426 1.00 0.00 C ATOM 1137 C TRP A 76 -5.716 -11.100 -1.104 1.00 0.00 C ATOM 1138 O TRP A 76 -6.713 -11.399 -1.760 1.00 0.00 O ATOM 1139 CB TRP A 76 -5.952 -9.728 1.035 1.00 0.00 C ATOM 1140 CG TRP A 76 -7.049 -8.901 0.362 1.00 0.00 C ATOM 1141 CD1 TRP A 76 -8.333 -8.783 0.726 1.00 0.00 C ATOM 1142 CD2 TRP A 76 -6.905 -8.075 -0.813 1.00 0.00 C ATOM 1143 NE1 TRP A 76 -9.025 -7.945 -0.125 1.00 0.00 N ATOM 1144 CE2 TRP A 76 -8.129 -7.501 -1.090 1.00 0.00 C ATOM 1145 CE3 TRP A 76 -5.778 -7.822 -1.614 1.00 0.00 C ATOM 1146 CZ2 TRP A 76 -8.343 -6.638 -2.171 1.00 0.00 C ATOM 1147 CZ3 TRP A 76 -6.009 -6.957 -2.691 1.00 0.00 C ATOM 1148 CH2 TRP A 76 -7.235 -6.371 -2.984 1.00 0.00 C ATOM 0 H TRP A 76 -3.881 -11.087 1.355 1.00 0.00 H new ATOM 0 HA TRP A 76 -6.626 -11.697 0.744 1.00 0.00 H new ATOM 0 HB2 TRP A 76 -6.190 -9.836 2.093 1.00 0.00 H new ATOM 0 HB3 TRP A 76 -5.011 -9.182 0.974 1.00 0.00 H new ATOM 0 HD1 TRP A 76 -8.771 -9.281 1.578 1.00 0.00 H new ATOM 0 HE1 TRP A 76 -10.012 -7.697 -0.058 1.00 0.00 H new ATOM 0 HE3 TRP A 76 -4.811 -8.260 -1.415 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 -9.311 -6.201 -2.367 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 -5.176 -6.729 -3.340 1.00 0.00 H new ATOM 0 HH2 TRP A 76 -7.332 -5.713 -3.835 1.00 0.00 H new ATOM 1159 N LEU A 77 -4.552 -10.746 -1.627 1.00 0.00 N ATOM 1160 CA LEU A 77 -4.366 -10.685 -3.067 1.00 0.00 C ATOM 1161 C LEU A 77 -4.851 -11.993 -3.695 1.00 0.00 C ATOM 1162 O LEU A 77 -5.655 -11.978 -4.626 1.00 0.00 O ATOM 1163 CB LEU A 77 -2.914 -10.341 -3.406 1.00 0.00 C ATOM 1164 CG LEU A 77 -2.711 -9.341 -4.546 1.00 0.00 C ATOM 1165 CD1 LEU A 77 -3.792 -9.503 -5.617 1.00 0.00 C ATOM 1166 CD2 LEU A 77 -2.641 -7.909 -4.014 1.00 0.00 C ATOM 0 H LEU A 77 -3.728 -10.498 -1.080 1.00 0.00 H new ATOM 0 HA LEU A 77 -4.967 -9.883 -3.495 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.437 -9.943 -2.510 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.393 -11.264 -3.661 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.753 -9.555 -5.021 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.624 -8.780 -6.416 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -3.750 -10.512 -6.026 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -4.773 -9.332 -5.173 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -2.496 -7.219 -4.845 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.570 -7.667 -3.498 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.806 -7.820 -3.319 1.00 0.00 H new ATOM 1178 N GLN A 78 -4.340 -13.093 -3.162 1.00 0.00 N ATOM 1179 CA GLN A 78 -4.711 -14.408 -3.659 1.00 0.00 C ATOM 1180 C GLN A 78 -6.192 -14.679 -3.389 1.00 0.00 C ATOM 1181 O GLN A 78 -6.838 -15.416 -4.133 1.00 0.00 O ATOM 1182 CB GLN A 78 -3.833 -15.496 -3.039 1.00 0.00 C ATOM 1183 CG GLN A 78 -2.374 -15.338 -3.474 1.00 0.00 C ATOM 1184 CD GLN A 78 -1.705 -16.702 -3.654 1.00 0.00 C ATOM 1185 OE1 GLN A 78 -2.124 -17.528 -4.448 1.00 0.00 O ATOM 1186 NE2 GLN A 78 -0.644 -16.891 -2.874 1.00 0.00 N ATOM 0 H GLN A 78 -3.672 -13.101 -2.391 1.00 0.00 H new ATOM 0 HA GLN A 78 -4.549 -14.427 -4.737 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -3.900 -15.446 -1.952 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -4.200 -16.478 -3.336 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -2.328 -14.780 -4.409 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -1.830 -14.757 -2.729 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -0.347 -16.157 -2.231 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -0.128 -17.770 -2.919 1.00 0.00 H new ATOM 1195 N ALA A 79 -6.688 -14.067 -2.323 1.00 0.00 N ATOM 1196 CA ALA A 79 -8.082 -14.233 -1.946 1.00 0.00 C ATOM 1197 C ALA A 79 -8.973 -13.568 -2.997 1.00 0.00 C ATOM 1198 O ALA A 79 -10.083 -14.030 -3.258 1.00 0.00 O ATOM 1199 CB ALA A 79 -8.304 -13.659 -0.546 1.00 0.00 C ATOM 0 H ALA A 79 -6.150 -13.456 -1.709 1.00 0.00 H new ATOM 0 HA ALA A 79 -8.347 -15.290 -1.911 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -9.349 -13.783 -0.263 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -7.670 -14.185 0.168 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -8.051 -12.599 -0.543 1.00 0.00 H new ATOM 1205 N GLN A 80 -8.454 -12.493 -3.572 1.00 0.00 N ATOM 1206 CA GLN A 80 -9.188 -11.760 -4.588 1.00 0.00 C ATOM 1207 C GLN A 80 -9.567 -12.688 -5.744 1.00 0.00 C ATOM 1208 O GLN A 80 -8.994 -13.767 -5.891 1.00 0.00 O ATOM 1209 CB GLN A 80 -8.381 -10.561 -5.091 1.00 0.00 C ATOM 1210 CG GLN A 80 -7.999 -9.634 -3.935 1.00 0.00 C ATOM 1211 CD GLN A 80 -9.150 -9.500 -2.936 1.00 0.00 C ATOM 1212 OE1 GLN A 80 -10.132 -8.815 -3.169 1.00 0.00 O ATOM 1213 NE2 GLN A 80 -8.974 -10.190 -1.812 1.00 0.00 N ATOM 0 H GLN A 80 -7.533 -12.112 -3.353 1.00 0.00 H new ATOM 0 HA GLN A 80 -10.105 -11.377 -4.139 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -7.480 -10.910 -5.595 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -8.964 -10.008 -5.828 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -7.116 -10.024 -3.428 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -7.735 -8.651 -4.325 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -8.128 -10.744 -1.681 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -9.685 -10.165 -1.082 1.00 0.00 H new ATOM 1222 N LYS A 81 -10.529 -12.236 -6.534 1.00 0.00 N ATOM 1223 CA LYS A 81 -10.991 -13.013 -7.672 1.00 0.00 C ATOM 1224 C LYS A 81 -10.614 -12.288 -8.965 1.00 0.00 C ATOM 1225 O LYS A 81 -10.739 -12.848 -10.053 1.00 0.00 O ATOM 1226 CB LYS A 81 -12.487 -13.308 -7.547 1.00 0.00 C ATOM 1227 CG LYS A 81 -13.013 -14.012 -8.799 1.00 0.00 C ATOM 1228 CD LYS A 81 -14.045 -15.082 -8.435 1.00 0.00 C ATOM 1229 CE LYS A 81 -15.451 -14.656 -8.864 1.00 0.00 C ATOM 1230 NZ LYS A 81 -15.634 -14.866 -10.318 1.00 0.00 N ATOM 0 H LYS A 81 -11.002 -11.341 -6.409 1.00 0.00 H new ATOM 0 HA LYS A 81 -10.498 -13.985 -7.695 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -12.666 -13.932 -6.672 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -13.033 -12.378 -7.392 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -13.464 -13.280 -9.469 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -12.184 -14.470 -9.338 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -13.783 -16.024 -8.917 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -14.027 -15.259 -7.360 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -16.196 -15.229 -8.311 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -15.610 -13.606 -8.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -16.593 -14.572 -10.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -14.935 -14.301 -10.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -15.503 -15.873 -10.543 1.00 0.00 H new ATOM 1244 N VAL A 82 -10.159 -11.054 -8.804 1.00 0.00 N ATOM 1245 CA VAL A 82 -9.763 -10.247 -9.946 1.00 0.00 C ATOM 1246 C VAL A 82 -8.420 -10.752 -10.479 1.00 0.00 C ATOM 1247 O VAL A 82 -7.537 -11.116 -9.704 1.00 0.00 O ATOM 1248 CB VAL A 82 -9.733 -8.768 -9.556 1.00 0.00 C ATOM 1249 CG1 VAL A 82 -8.796 -8.532 -8.370 1.00 0.00 C ATOM 1250 CG2 VAL A 82 -9.339 -7.895 -10.749 1.00 0.00 C ATOM 0 H VAL A 82 -10.056 -10.593 -7.900 1.00 0.00 H new ATOM 0 HA VAL A 82 -10.490 -10.342 -10.752 1.00 0.00 H new ATOM 0 HB VAL A 82 -10.739 -8.482 -9.249 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -8.793 -7.473 -8.114 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -9.140 -9.112 -7.514 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -7.786 -8.843 -8.637 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -9.325 -6.848 -10.445 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -8.348 -8.184 -11.100 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -10.062 -8.030 -11.553 1.00 0.00 H new ATOM 1260 N GLN A 83 -8.309 -10.757 -11.800 1.00 0.00 N ATOM 1261 CA GLN A 83 -7.089 -11.211 -12.446 1.00 0.00 C ATOM 1262 C GLN A 83 -6.204 -10.016 -12.807 1.00 0.00 C ATOM 1263 O GLN A 83 -6.660 -9.074 -13.454 1.00 0.00 O ATOM 1264 CB GLN A 83 -7.405 -12.053 -13.683 1.00 0.00 C ATOM 1265 CG GLN A 83 -8.166 -13.325 -13.302 1.00 0.00 C ATOM 1266 CD GLN A 83 -9.352 -13.556 -14.240 1.00 0.00 C ATOM 1267 OE1 GLN A 83 -10.151 -12.672 -14.503 1.00 0.00 O ATOM 1268 NE2 GLN A 83 -9.423 -14.792 -14.727 1.00 0.00 N ATOM 0 H GLN A 83 -9.043 -10.454 -12.440 1.00 0.00 H new ATOM 0 HA GLN A 83 -6.543 -11.844 -11.746 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -7.998 -11.466 -14.384 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -6.479 -12.318 -14.193 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -7.493 -14.182 -13.343 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -8.520 -13.247 -12.274 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -8.721 -15.484 -14.466 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -10.180 -15.047 -15.361 1.00 0.00 H new ATOM 1277 N VAL A 84 -4.954 -10.094 -12.374 1.00 0.00 N ATOM 1278 CA VAL A 84 -4.001 -9.031 -12.644 1.00 0.00 C ATOM 1279 C VAL A 84 -2.926 -9.547 -13.602 1.00 0.00 C ATOM 1280 O VAL A 84 -2.445 -10.670 -13.455 1.00 0.00 O ATOM 1281 CB VAL A 84 -3.426 -8.499 -11.330 1.00 0.00 C ATOM 1282 CG1 VAL A 84 -4.191 -7.261 -10.858 1.00 0.00 C ATOM 1283 CG2 VAL A 84 -3.422 -9.585 -10.253 1.00 0.00 C ATOM 0 H VAL A 84 -4.579 -10.877 -11.838 1.00 0.00 H new ATOM 0 HA VAL A 84 -4.494 -8.190 -13.132 1.00 0.00 H new ATOM 0 HB VAL A 84 -2.392 -8.205 -11.512 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -3.762 -6.903 -9.922 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -4.118 -6.478 -11.613 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -5.239 -7.518 -10.702 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -3.008 -9.180 -9.329 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -4.442 -9.925 -10.075 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -2.813 -10.425 -10.586 1.00 0.00 H new ATOM 1293 N SER A 85 -2.579 -8.703 -14.562 1.00 0.00 N ATOM 1294 CA SER A 85 -1.570 -9.059 -15.544 1.00 0.00 C ATOM 1295 C SER A 85 -0.182 -9.032 -14.901 1.00 0.00 C ATOM 1296 O SER A 85 0.709 -9.776 -15.308 1.00 0.00 O ATOM 1297 CB SER A 85 -1.616 -8.117 -16.749 1.00 0.00 C ATOM 1298 OG SER A 85 -2.227 -8.728 -17.882 1.00 0.00 O ATOM 0 H SER A 85 -2.979 -7.772 -14.681 1.00 0.00 H new ATOM 0 HA SER A 85 -1.780 -10.068 -15.899 1.00 0.00 H new ATOM 0 HB2 SER A 85 -2.167 -7.215 -16.483 1.00 0.00 H new ATOM 0 HB3 SER A 85 -0.603 -7.808 -17.006 1.00 0.00 H new ATOM 0 HG SER A 85 -2.239 -8.094 -18.629 1.00 0.00 H new ATOM 1304 N SER A 86 -0.041 -8.165 -13.909 1.00 0.00 N ATOM 1305 CA SER A 86 1.223 -8.031 -13.206 1.00 0.00 C ATOM 1306 C SER A 86 0.972 -7.669 -11.741 1.00 0.00 C ATOM 1307 O SER A 86 0.472 -6.585 -11.442 1.00 0.00 O ATOM 1308 CB SER A 86 2.112 -6.976 -13.868 1.00 0.00 C ATOM 1309 OG SER A 86 2.063 -7.053 -15.290 1.00 0.00 O ATOM 0 H SER A 86 -0.782 -7.548 -13.576 1.00 0.00 H new ATOM 0 HA SER A 86 1.743 -8.988 -13.253 1.00 0.00 H new ATOM 0 HB2 SER A 86 1.796 -5.983 -13.548 1.00 0.00 H new ATOM 0 HB3 SER A 86 3.141 -7.107 -13.533 1.00 0.00 H new ATOM 0 HG SER A 86 2.642 -6.363 -15.675 1.00 0.00 H new ATOM 1315 N GLN A 87 1.329 -8.598 -10.866 1.00 0.00 N ATOM 1316 CA GLN A 87 1.148 -8.390 -9.439 1.00 0.00 C ATOM 1317 C GLN A 87 1.454 -6.937 -9.071 1.00 0.00 C ATOM 1318 O GLN A 87 2.494 -6.402 -9.453 1.00 0.00 O ATOM 1319 CB GLN A 87 2.016 -9.356 -8.630 1.00 0.00 C ATOM 1320 CG GLN A 87 1.218 -9.985 -7.486 1.00 0.00 C ATOM 1321 CD GLN A 87 2.115 -10.860 -6.609 1.00 0.00 C ATOM 1322 OE1 GLN A 87 3.117 -10.422 -6.068 1.00 0.00 O ATOM 1323 NE2 GLN A 87 1.699 -12.119 -6.497 1.00 0.00 N ATOM 0 H GLN A 87 1.742 -9.496 -11.117 1.00 0.00 H new ATOM 0 HA GLN A 87 0.107 -8.595 -9.191 1.00 0.00 H new ATOM 0 HB2 GLN A 87 2.400 -10.139 -9.283 1.00 0.00 H new ATOM 0 HB3 GLN A 87 2.879 -8.825 -8.227 1.00 0.00 H new ATOM 0 HG2 GLN A 87 0.764 -9.201 -6.880 1.00 0.00 H new ATOM 0 HG3 GLN A 87 0.404 -10.585 -7.893 1.00 0.00 H new ATOM 0 HE21 GLN A 87 0.851 -12.420 -6.977 1.00 0.00 H new ATOM 0 HE22 GLN A 87 2.228 -12.783 -5.931 1.00 0.00 H new ATOM 1332 N PRO A 88 0.506 -6.324 -8.313 1.00 0.00 N ATOM 1333 CA PRO A 88 0.664 -4.943 -7.889 1.00 0.00 C ATOM 1334 C PRO A 88 1.689 -4.831 -6.759 1.00 0.00 C ATOM 1335 O PRO A 88 2.054 -5.832 -6.145 1.00 0.00 O ATOM 1336 CB PRO A 88 -0.728 -4.497 -7.475 1.00 0.00 C ATOM 1337 CG PRO A 88 -1.523 -5.771 -7.241 1.00 0.00 C ATOM 1338 CD PRO A 88 -0.738 -6.926 -7.842 1.00 0.00 C ATOM 0 HA PRO A 88 1.054 -4.302 -8.680 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -0.690 -3.889 -6.571 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -1.189 -3.886 -8.251 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -1.682 -5.931 -6.175 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -2.508 -5.697 -7.703 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -0.546 -7.702 -7.101 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -1.286 -7.394 -8.660 1.00 0.00 H new ATOM 1346 N GLU A 89 2.124 -3.603 -6.517 1.00 0.00 N ATOM 1347 CA GLU A 89 3.100 -3.347 -5.472 1.00 0.00 C ATOM 1348 C GLU A 89 2.401 -3.194 -4.119 1.00 0.00 C ATOM 1349 O GLU A 89 1.351 -2.560 -4.027 1.00 0.00 O ATOM 1350 CB GLU A 89 3.941 -2.110 -5.797 1.00 0.00 C ATOM 1351 CG GLU A 89 5.344 -2.508 -6.258 1.00 0.00 C ATOM 1352 CD GLU A 89 6.002 -3.460 -5.257 1.00 0.00 C ATOM 1353 OE1 GLU A 89 6.214 -3.017 -4.108 1.00 0.00 O ATOM 1354 OE2 GLU A 89 6.277 -4.609 -5.664 1.00 0.00 O ATOM 0 H GLU A 89 1.818 -2.774 -7.027 1.00 0.00 H new ATOM 0 HA GLU A 89 3.776 -4.201 -5.416 1.00 0.00 H new ATOM 0 HB2 GLU A 89 3.450 -1.526 -6.576 1.00 0.00 H new ATOM 0 HB3 GLU A 89 4.011 -1.472 -4.916 1.00 0.00 H new ATOM 0 HG2 GLU A 89 5.287 -2.986 -7.236 1.00 0.00 H new ATOM 0 HG3 GLU A 89 5.959 -1.616 -6.375 1.00 0.00 H new ATOM 1361 N LEU A 90 3.012 -3.786 -3.103 1.00 0.00 N ATOM 1362 CA LEU A 90 2.461 -3.724 -1.760 1.00 0.00 C ATOM 1363 C LEU A 90 3.340 -2.819 -0.894 1.00 0.00 C ATOM 1364 O LEU A 90 4.497 -3.143 -0.628 1.00 0.00 O ATOM 1365 CB LEU A 90 2.278 -5.132 -1.190 1.00 0.00 C ATOM 1366 CG LEU A 90 1.849 -6.209 -2.189 1.00 0.00 C ATOM 1367 CD1 LEU A 90 1.501 -7.514 -1.471 1.00 0.00 C ATOM 1368 CD2 LEU A 90 0.700 -5.715 -3.069 1.00 0.00 C ATOM 0 H LEU A 90 3.883 -4.311 -3.183 1.00 0.00 H new ATOM 0 HA LEU A 90 1.465 -3.281 -1.777 1.00 0.00 H new ATOM 0 HB2 LEU A 90 3.217 -5.442 -0.732 1.00 0.00 H new ATOM 0 HB3 LEU A 90 1.535 -5.087 -0.394 1.00 0.00 H new ATOM 0 HG LEU A 90 2.691 -6.418 -2.848 1.00 0.00 H new ATOM 0 HD11 LEU A 90 1.199 -8.263 -2.203 1.00 0.00 H new ATOM 0 HD12 LEU A 90 2.373 -7.872 -0.924 1.00 0.00 H new ATOM 0 HD13 LEU A 90 0.682 -7.338 -0.773 1.00 0.00 H new ATOM 0 HD21 LEU A 90 0.415 -6.500 -3.770 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -0.155 -5.460 -2.442 1.00 0.00 H new ATOM 0 HD23 LEU A 90 1.020 -4.832 -3.623 1.00 0.00 H new ATOM 1380 N LEU A 91 2.758 -1.704 -0.479 1.00 0.00 N ATOM 1381 CA LEU A 91 3.474 -0.751 0.351 1.00 0.00 C ATOM 1382 C LEU A 91 2.557 -0.272 1.478 1.00 0.00 C ATOM 1383 O LEU A 91 1.334 -0.308 1.346 1.00 0.00 O ATOM 1384 CB LEU A 91 4.042 0.384 -0.504 1.00 0.00 C ATOM 1385 CG LEU A 91 4.300 0.051 -1.975 1.00 0.00 C ATOM 1386 CD1 LEU A 91 4.118 1.287 -2.857 1.00 0.00 C ATOM 1387 CD2 LEU A 91 5.679 -0.587 -2.158 1.00 0.00 C ATOM 0 H LEU A 91 1.799 -1.439 -0.702 1.00 0.00 H new ATOM 0 HA LEU A 91 4.335 -1.227 0.821 1.00 0.00 H new ATOM 0 HB2 LEU A 91 3.352 1.227 -0.458 1.00 0.00 H new ATOM 0 HB3 LEU A 91 4.980 0.715 -0.057 1.00 0.00 H new ATOM 0 HG LEU A 91 3.560 -0.683 -2.295 1.00 0.00 H new ATOM 0 HD11 LEU A 91 4.307 1.023 -3.897 1.00 0.00 H new ATOM 0 HD12 LEU A 91 3.098 1.659 -2.757 1.00 0.00 H new ATOM 0 HD13 LEU A 91 4.819 2.062 -2.546 1.00 0.00 H new ATOM 0 HD21 LEU A 91 5.838 -0.814 -3.212 1.00 0.00 H new ATOM 0 HD22 LEU A 91 6.448 0.105 -1.816 1.00 0.00 H new ATOM 0 HD23 LEU A 91 5.734 -1.507 -1.576 1.00 0.00 H new ATOM 1399 N ASP A 92 3.181 0.167 2.561 1.00 0.00 N ATOM 1400 CA ASP A 92 2.436 0.653 3.710 1.00 0.00 C ATOM 1401 C ASP A 92 1.888 2.048 3.403 1.00 0.00 C ATOM 1402 O ASP A 92 2.433 2.763 2.564 1.00 0.00 O ATOM 1403 CB ASP A 92 3.334 0.759 4.944 1.00 0.00 C ATOM 1404 CG ASP A 92 2.649 0.430 6.272 1.00 0.00 C ATOM 1405 OD1 ASP A 92 1.455 0.779 6.396 1.00 0.00 O ATOM 1406 OD2 ASP A 92 3.334 -0.162 7.133 1.00 0.00 O ATOM 0 H ASP A 92 4.195 0.196 2.667 1.00 0.00 H new ATOM 0 HA ASP A 92 1.629 -0.051 3.911 1.00 0.00 H new ATOM 0 HB2 ASP A 92 4.184 0.089 4.815 1.00 0.00 H new ATOM 0 HB3 ASP A 92 3.732 1.772 4.999 1.00 0.00 H new ATOM 1411 N VAL A 93 0.815 2.393 4.101 1.00 0.00 N ATOM 1412 CA VAL A 93 0.187 3.690 3.914 1.00 0.00 C ATOM 1413 C VAL A 93 1.263 4.777 3.901 1.00 0.00 C ATOM 1414 O VAL A 93 1.122 5.788 3.215 1.00 0.00 O ATOM 1415 CB VAL A 93 -0.878 3.915 4.989 1.00 0.00 C ATOM 1416 CG1 VAL A 93 -2.130 3.084 4.704 1.00 0.00 C ATOM 1417 CG2 VAL A 93 -0.323 3.611 6.382 1.00 0.00 C ATOM 0 H VAL A 93 0.365 1.797 4.796 1.00 0.00 H new ATOM 0 HA VAL A 93 -0.326 3.731 2.953 1.00 0.00 H new ATOM 0 HB VAL A 93 -1.162 4.967 4.964 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -2.871 3.263 5.483 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -2.544 3.370 3.737 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -1.869 2.026 4.688 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -1.100 3.779 7.128 1.00 0.00 H new ATOM 0 HG22 VAL A 93 0.003 2.572 6.425 1.00 0.00 H new ATOM 0 HG23 VAL A 93 0.524 4.266 6.587 1.00 0.00 H new ATOM 1427 N SER A 94 2.316 4.531 4.668 1.00 0.00 N ATOM 1428 CA SER A 94 3.416 5.476 4.754 1.00 0.00 C ATOM 1429 C SER A 94 3.811 5.948 3.353 1.00 0.00 C ATOM 1430 O SER A 94 4.304 7.063 3.186 1.00 0.00 O ATOM 1431 CB SER A 94 4.621 4.856 5.465 1.00 0.00 C ATOM 1432 OG SER A 94 5.629 4.446 4.546 1.00 0.00 O ATOM 0 H SER A 94 2.430 3.691 5.235 1.00 0.00 H new ATOM 0 HA SER A 94 3.085 6.334 5.340 1.00 0.00 H new ATOM 0 HB2 SER A 94 5.041 5.579 6.165 1.00 0.00 H new ATOM 0 HB3 SER A 94 4.294 3.997 6.051 1.00 0.00 H new ATOM 0 HG SER A 94 6.382 4.057 5.038 1.00 0.00 H new ATOM 1438 N TRP A 95 3.580 5.076 2.383 1.00 0.00 N ATOM 1439 CA TRP A 95 3.906 5.390 1.002 1.00 0.00 C ATOM 1440 C TRP A 95 2.824 6.328 0.462 1.00 0.00 C ATOM 1441 O TRP A 95 3.129 7.403 -0.051 1.00 0.00 O ATOM 1442 CB TRP A 95 4.059 4.114 0.172 1.00 0.00 C ATOM 1443 CG TRP A 95 4.561 4.355 -1.253 1.00 0.00 C ATOM 1444 CD1 TRP A 95 5.800 4.681 -1.647 1.00 0.00 C ATOM 1445 CD2 TRP A 95 3.781 4.276 -2.465 1.00 0.00 C ATOM 1446 NE1 TRP A 95 5.875 4.818 -3.018 1.00 0.00 N ATOM 1447 CE2 TRP A 95 4.609 4.563 -3.531 1.00 0.00 C ATOM 1448 CE3 TRP A 95 2.422 3.971 -2.654 1.00 0.00 C ATOM 1449 CZ2 TRP A 95 4.170 4.574 -4.861 1.00 0.00 C ATOM 1450 CZ3 TRP A 95 1.999 3.986 -3.988 1.00 0.00 C ATOM 1451 CH2 TRP A 95 2.819 4.273 -5.073 1.00 0.00 C ATOM 0 H TRP A 95 3.171 4.152 2.526 1.00 0.00 H new ATOM 0 HA TRP A 95 4.869 5.897 0.938 1.00 0.00 H new ATOM 0 HB2 TRP A 95 4.750 3.442 0.681 1.00 0.00 H new ATOM 0 HB3 TRP A 95 3.096 3.605 0.126 1.00 0.00 H new ATOM 0 HD1 TRP A 95 6.635 4.819 -0.976 1.00 0.00 H new ATOM 0 HE1 TRP A 95 6.707 5.062 -3.556 1.00 0.00 H new ATOM 0 HE3 TRP A 95 1.757 3.743 -1.834 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 4.837 4.802 -5.679 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 0.962 3.759 -4.189 1.00 0.00 H new ATOM 0 HH2 TRP A 95 2.416 4.264 -6.075 1.00 0.00 H new ATOM 1462 N LEU A 96 1.582 5.886 0.596 1.00 0.00 N ATOM 1463 CA LEU A 96 0.453 6.673 0.129 1.00 0.00 C ATOM 1464 C LEU A 96 0.461 8.033 0.828 1.00 0.00 C ATOM 1465 O LEU A 96 0.224 9.062 0.196 1.00 0.00 O ATOM 1466 CB LEU A 96 -0.852 5.896 0.308 1.00 0.00 C ATOM 1467 CG LEU A 96 -1.993 6.274 -0.638 1.00 0.00 C ATOM 1468 CD1 LEU A 96 -2.958 7.256 0.030 1.00 0.00 C ATOM 1469 CD2 LEU A 96 -1.451 6.815 -1.963 1.00 0.00 C ATOM 0 H LEU A 96 1.333 4.993 1.021 1.00 0.00 H new ATOM 0 HA LEU A 96 0.538 6.864 -0.941 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -0.640 4.834 0.183 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -1.196 6.034 1.333 1.00 0.00 H new ATOM 0 HG LEU A 96 -2.560 5.371 -0.866 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -3.759 7.508 -0.665 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -3.383 6.798 0.923 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -2.420 8.163 0.308 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -2.283 7.076 -2.617 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -0.846 7.702 -1.774 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -0.837 6.053 -2.443 1.00 0.00 H new ATOM 1481 N ILE A 97 0.736 7.996 2.124 1.00 0.00 N ATOM 1482 CA ILE A 97 0.777 9.213 2.916 1.00 0.00 C ATOM 1483 C ILE A 97 1.803 10.174 2.312 1.00 0.00 C ATOM 1484 O ILE A 97 1.542 11.371 2.193 1.00 0.00 O ATOM 1485 CB ILE A 97 1.033 8.886 4.388 1.00 0.00 C ATOM 1486 CG1 ILE A 97 -0.141 8.112 4.990 1.00 0.00 C ATOM 1487 CG2 ILE A 97 1.353 10.153 5.184 1.00 0.00 C ATOM 1488 CD1 ILE A 97 0.280 7.381 6.267 1.00 0.00 C ATOM 0 H ILE A 97 0.933 7.142 2.645 1.00 0.00 H new ATOM 0 HA ILE A 97 -0.189 9.718 2.889 1.00 0.00 H new ATOM 0 HB ILE A 97 1.909 8.240 4.447 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -0.958 8.799 5.212 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -0.518 7.393 4.263 1.00 0.00 H new ATOM 0 HG21 ILE A 97 1.531 9.892 6.227 1.00 0.00 H new ATOM 0 HG22 ILE A 97 2.244 10.627 4.772 1.00 0.00 H new ATOM 0 HG23 ILE A 97 0.513 10.844 5.121 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -0.574 6.839 6.674 1.00 0.00 H new ATOM 0 HD12 ILE A 97 1.080 6.678 6.037 1.00 0.00 H new ATOM 0 HD13 ILE A 97 0.634 8.105 7.001 1.00 0.00 H new ATOM 1500 N GLU A 98 2.947 9.615 1.947 1.00 0.00 N ATOM 1501 CA GLU A 98 4.013 10.408 1.358 1.00 0.00 C ATOM 1502 C GLU A 98 3.666 10.776 -0.086 1.00 0.00 C ATOM 1503 O GLU A 98 3.708 11.947 -0.459 1.00 0.00 O ATOM 1504 CB GLU A 98 5.350 9.668 1.429 1.00 0.00 C ATOM 1505 CG GLU A 98 5.879 9.628 2.864 1.00 0.00 C ATOM 1506 CD GLU A 98 7.299 10.192 2.941 1.00 0.00 C ATOM 1507 OE1 GLU A 98 8.171 9.630 2.243 1.00 0.00 O ATOM 1508 OE2 GLU A 98 7.481 11.172 3.695 1.00 0.00 O ATOM 0 H GLU A 98 3.159 8.622 2.048 1.00 0.00 H new ATOM 0 HA GLU A 98 4.114 11.329 1.932 1.00 0.00 H new ATOM 0 HB2 GLU A 98 5.228 8.652 1.054 1.00 0.00 H new ATOM 0 HB3 GLU A 98 6.077 10.160 0.783 1.00 0.00 H new ATOM 0 HG2 GLU A 98 5.220 10.203 3.514 1.00 0.00 H new ATOM 0 HG3 GLU A 98 5.871 8.601 3.230 1.00 0.00 H new ATOM 1515 N CYS A 99 3.330 9.754 -0.859 1.00 0.00 N ATOM 1516 CA CYS A 99 2.976 9.955 -2.254 1.00 0.00 C ATOM 1517 C CYS A 99 2.097 11.203 -2.351 1.00 0.00 C ATOM 1518 O CYS A 99 2.114 11.901 -3.363 1.00 0.00 O ATOM 1519 CB CYS A 99 2.286 8.723 -2.845 1.00 0.00 C ATOM 1520 SG CYS A 99 3.428 7.294 -2.820 1.00 0.00 S ATOM 0 H CYS A 99 3.295 8.784 -0.546 1.00 0.00 H new ATOM 0 HA CYS A 99 3.880 10.102 -2.844 1.00 0.00 H new ATOM 0 HB2 CYS A 99 1.387 8.491 -2.274 1.00 0.00 H new ATOM 0 HB3 CYS A 99 1.970 8.929 -3.868 1.00 0.00 H new ATOM 0 HG CYS A 99 2.758 6.207 -2.574 1.00 0.00 H new ATOM 1526 N ILE A 100 1.349 11.446 -1.285 1.00 0.00 N ATOM 1527 CA ILE A 100 0.465 12.598 -1.237 1.00 0.00 C ATOM 1528 C ILE A 100 1.293 13.862 -0.998 1.00 0.00 C ATOM 1529 O ILE A 100 1.378 14.727 -1.868 1.00 0.00 O ATOM 1530 CB ILE A 100 -0.641 12.382 -0.202 1.00 0.00 C ATOM 1531 CG1 ILE A 100 -1.609 11.287 -0.653 1.00 0.00 C ATOM 1532 CG2 ILE A 100 -1.365 13.694 0.108 1.00 0.00 C ATOM 1533 CD1 ILE A 100 -2.463 10.794 0.517 1.00 0.00 C ATOM 0 H ILE A 100 1.337 10.864 -0.447 1.00 0.00 H new ATOM 0 HA ILE A 100 -0.045 12.727 -2.192 1.00 0.00 H new ATOM 0 HB ILE A 100 -0.179 12.041 0.725 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -2.255 11.670 -1.443 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -1.049 10.453 -1.076 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -2.146 13.513 0.846 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -0.653 14.418 0.504 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -1.813 14.087 -0.805 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -3.142 10.016 0.169 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -1.816 10.389 1.295 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -3.040 11.625 0.922 1.00 0.00 H new ATOM 1545 N GLY A 101 1.884 13.928 0.186 1.00 0.00 N ATOM 1546 CA GLY A 101 2.703 15.072 0.550 1.00 0.00 C ATOM 1547 C GLY A 101 3.811 15.303 -0.479 1.00 0.00 C ATOM 1548 O GLY A 101 4.403 16.380 -0.528 1.00 0.00 O ATOM 0 H GLY A 101 1.812 13.208 0.905 1.00 0.00 H new ATOM 0 HA2 GLY A 101 2.078 15.962 0.623 1.00 0.00 H new ATOM 0 HA3 GLY A 101 3.144 14.910 1.534 1.00 0.00 H new ATOM 1552 N ALA A 102 4.059 14.274 -1.275 1.00 0.00 N ATOM 1553 CA ALA A 102 5.086 14.351 -2.300 1.00 0.00 C ATOM 1554 C ALA A 102 4.430 14.635 -3.653 1.00 0.00 C ATOM 1555 O ALA A 102 5.099 15.054 -4.596 1.00 0.00 O ATOM 1556 CB ALA A 102 5.899 13.055 -2.308 1.00 0.00 C ATOM 0 H ALA A 102 3.566 13.382 -1.231 1.00 0.00 H new ATOM 0 HA ALA A 102 5.777 15.168 -2.090 1.00 0.00 H new ATOM 0 HB1 ALA A 102 6.669 13.113 -3.077 1.00 0.00 H new ATOM 0 HB2 ALA A 102 6.368 12.914 -1.334 1.00 0.00 H new ATOM 0 HB3 ALA A 102 5.239 12.213 -2.518 1.00 0.00 H new ATOM 1562 N GLY A 103 3.127 14.396 -3.705 1.00 0.00 N ATOM 1563 CA GLY A 103 2.373 14.622 -4.926 1.00 0.00 C ATOM 1564 C GLY A 103 2.922 13.771 -6.074 1.00 0.00 C ATOM 1565 O GLY A 103 2.582 13.995 -7.234 1.00 0.00 O ATOM 0 H GLY A 103 2.575 14.048 -2.921 1.00 0.00 H new ATOM 0 HA2 GLY A 103 1.323 14.381 -4.759 1.00 0.00 H new ATOM 0 HA3 GLY A 103 2.419 15.677 -5.196 1.00 0.00 H new ATOM 1569 N LYS A 104 3.761 12.813 -5.709 1.00 0.00 N ATOM 1570 CA LYS A 104 4.359 11.927 -6.694 1.00 0.00 C ATOM 1571 C LYS A 104 4.609 10.559 -6.057 1.00 0.00 C ATOM 1572 O LYS A 104 4.569 10.421 -4.835 1.00 0.00 O ATOM 1573 CB LYS A 104 5.613 12.564 -7.295 1.00 0.00 C ATOM 1574 CG LYS A 104 6.828 12.343 -6.390 1.00 0.00 C ATOM 1575 CD LYS A 104 7.919 11.556 -7.120 1.00 0.00 C ATOM 1576 CE LYS A 104 8.746 10.726 -6.137 1.00 0.00 C ATOM 1577 NZ LYS A 104 10.190 10.859 -6.434 1.00 0.00 N ATOM 0 H LYS A 104 4.041 12.631 -4.745 1.00 0.00 H new ATOM 0 HA LYS A 104 3.677 11.770 -7.530 1.00 0.00 H new ATOM 0 HB2 LYS A 104 5.806 12.137 -8.279 1.00 0.00 H new ATOM 0 HB3 LYS A 104 5.450 13.632 -7.437 1.00 0.00 H new ATOM 0 HG2 LYS A 104 7.224 13.305 -6.065 1.00 0.00 H new ATOM 0 HG3 LYS A 104 6.524 11.804 -5.493 1.00 0.00 H new ATOM 0 HD2 LYS A 104 7.464 10.900 -7.863 1.00 0.00 H new ATOM 0 HD3 LYS A 104 8.570 12.244 -7.659 1.00 0.00 H new ATOM 0 HE2 LYS A 104 8.547 11.054 -5.117 1.00 0.00 H new ATOM 0 HE3 LYS A 104 8.451 9.678 -6.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 10.737 10.289 -5.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 10.378 10.524 -7.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 10.471 11.857 -6.353 1.00 0.00 H new ATOM 1591 N PRO A 105 4.869 9.555 -6.937 1.00 0.00 N ATOM 1592 CA PRO A 105 5.126 8.201 -6.474 1.00 0.00 C ATOM 1593 C PRO A 105 6.528 8.084 -5.873 1.00 0.00 C ATOM 1594 O PRO A 105 7.466 7.671 -6.552 1.00 0.00 O ATOM 1595 CB PRO A 105 4.929 7.323 -7.698 1.00 0.00 C ATOM 1596 CG PRO A 105 5.027 8.251 -8.898 1.00 0.00 C ATOM 1597 CD PRO A 105 4.925 9.680 -8.390 1.00 0.00 C ATOM 0 HA PRO A 105 4.456 7.897 -5.670 1.00 0.00 H new ATOM 0 HB2 PRO A 105 5.689 6.543 -7.745 1.00 0.00 H new ATOM 0 HB3 PRO A 105 3.960 6.824 -7.669 1.00 0.00 H new ATOM 0 HG2 PRO A 105 5.970 8.099 -9.423 1.00 0.00 H new ATOM 0 HG3 PRO A 105 4.229 8.041 -9.610 1.00 0.00 H new ATOM 0 HD2 PRO A 105 5.784 10.274 -8.703 1.00 0.00 H new ATOM 0 HD3 PRO A 105 4.036 10.176 -8.779 1.00 0.00 H new ATOM 1605 N VAL A 106 6.626 8.456 -4.605 1.00 0.00 N ATOM 1606 CA VAL A 106 7.898 8.398 -3.905 1.00 0.00 C ATOM 1607 C VAL A 106 8.613 7.094 -4.262 1.00 0.00 C ATOM 1608 O VAL A 106 7.977 6.127 -4.679 1.00 0.00 O ATOM 1609 CB VAL A 106 7.675 8.565 -2.400 1.00 0.00 C ATOM 1610 CG1 VAL A 106 7.322 10.013 -2.055 1.00 0.00 C ATOM 1611 CG2 VAL A 106 6.598 7.603 -1.896 1.00 0.00 C ATOM 0 H VAL A 106 5.846 8.799 -4.045 1.00 0.00 H new ATOM 0 HA VAL A 106 8.544 9.219 -4.218 1.00 0.00 H new ATOM 0 HB VAL A 106 8.608 8.319 -1.894 1.00 0.00 H new ATOM 0 HG11 VAL A 106 7.169 10.104 -0.980 1.00 0.00 H new ATOM 0 HG12 VAL A 106 8.136 10.669 -2.362 1.00 0.00 H new ATOM 0 HG13 VAL A 106 6.409 10.299 -2.577 1.00 0.00 H new ATOM 0 HG21 VAL A 106 6.459 7.742 -0.824 1.00 0.00 H new ATOM 0 HG22 VAL A 106 5.660 7.804 -2.413 1.00 0.00 H new ATOM 0 HG23 VAL A 106 6.907 6.576 -2.092 1.00 0.00 H new ATOM 1621 N GLU A 107 9.926 7.108 -4.085 1.00 0.00 N ATOM 1622 CA GLU A 107 10.734 5.938 -4.384 1.00 0.00 C ATOM 1623 C GLU A 107 10.504 4.851 -3.332 1.00 0.00 C ATOM 1624 O GLU A 107 10.227 5.154 -2.172 1.00 0.00 O ATOM 1625 CB GLU A 107 12.217 6.305 -4.478 1.00 0.00 C ATOM 1626 CG GLU A 107 12.849 6.393 -3.087 1.00 0.00 C ATOM 1627 CD GLU A 107 13.894 7.509 -3.030 1.00 0.00 C ATOM 1628 OE1 GLU A 107 14.963 7.318 -3.650 1.00 0.00 O ATOM 1629 OE2 GLU A 107 13.601 8.528 -2.368 1.00 0.00 O ATOM 0 H GLU A 107 10.450 7.911 -3.738 1.00 0.00 H new ATOM 0 HA GLU A 107 10.428 5.548 -5.355 1.00 0.00 H new ATOM 0 HB2 GLU A 107 12.743 5.559 -5.074 1.00 0.00 H new ATOM 0 HB3 GLU A 107 12.327 7.260 -4.993 1.00 0.00 H new ATOM 0 HG2 GLU A 107 12.074 6.577 -2.343 1.00 0.00 H new ATOM 0 HG3 GLU A 107 13.315 5.440 -2.834 1.00 0.00 H new ATOM 1636 N MET A 108 10.628 3.609 -3.775 1.00 0.00 N ATOM 1637 CA MET A 108 10.436 2.475 -2.886 1.00 0.00 C ATOM 1638 C MET A 108 11.776 1.830 -2.525 1.00 0.00 C ATOM 1639 O MET A 108 12.246 0.934 -3.225 1.00 0.00 O ATOM 1640 CB MET A 108 9.537 1.440 -3.564 1.00 0.00 C ATOM 1641 CG MET A 108 8.130 1.999 -3.786 1.00 0.00 C ATOM 1642 SD MET A 108 8.060 2.879 -5.337 1.00 0.00 S ATOM 1643 CE MET A 108 7.891 1.507 -6.466 1.00 0.00 C ATOM 0 H MET A 108 10.859 3.362 -4.737 1.00 0.00 H new ATOM 0 HA MET A 108 9.966 2.831 -1.969 1.00 0.00 H new ATOM 0 HB2 MET A 108 9.971 1.146 -4.520 1.00 0.00 H new ATOM 0 HB3 MET A 108 9.483 0.542 -2.949 1.00 0.00 H new ATOM 0 HG2 MET A 108 7.403 1.187 -3.786 1.00 0.00 H new ATOM 0 HG3 MET A 108 7.862 2.667 -2.967 1.00 0.00 H new ATOM 0 HE1 MET A 108 8.496 1.690 -7.354 1.00 0.00 H new ATOM 0 HE2 MET A 108 8.228 0.592 -5.980 1.00 0.00 H new ATOM 0 HE3 MET A 108 6.845 1.400 -6.755 1.00 0.00 H new ATOM 1653 N THR A 109 12.352 2.309 -1.433 1.00 0.00 N ATOM 1654 CA THR A 109 13.628 1.790 -0.970 1.00 0.00 C ATOM 1655 C THR A 109 13.417 0.534 -0.122 1.00 0.00 C ATOM 1656 O THR A 109 14.374 -0.165 0.206 1.00 0.00 O ATOM 1657 CB THR A 109 14.353 2.912 -0.225 1.00 0.00 C ATOM 1658 OG1 THR A 109 13.608 3.067 0.980 1.00 0.00 O ATOM 1659 CG2 THR A 109 14.215 4.265 -0.926 1.00 0.00 C ATOM 0 H THR A 109 11.959 3.051 -0.855 1.00 0.00 H new ATOM 0 HA THR A 109 14.255 1.478 -1.806 1.00 0.00 H new ATOM 0 HB THR A 109 15.409 2.660 -0.128 1.00 0.00 H new ATOM 0 HG1 THR A 109 13.530 4.020 1.196 1.00 0.00 H new ATOM 0 HG21 THR A 109 14.748 5.026 -0.356 1.00 0.00 H new ATOM 0 HG22 THR A 109 14.638 4.200 -1.929 1.00 0.00 H new ATOM 0 HG23 THR A 109 13.161 4.534 -0.994 1.00 0.00 H new ATOM 1667 N GLY A 110 12.158 0.287 0.209 1.00 0.00 N ATOM 1668 CA GLY A 110 11.809 -0.871 1.013 1.00 0.00 C ATOM 1669 C GLY A 110 10.901 -0.476 2.179 1.00 0.00 C ATOM 1670 O GLY A 110 9.833 -1.059 2.364 1.00 0.00 O ATOM 0 H GLY A 110 11.367 0.870 -0.065 1.00 0.00 H new ATOM 0 HA2 GLY A 110 11.307 -1.612 0.391 1.00 0.00 H new ATOM 0 HA3 GLY A 110 12.716 -1.339 1.396 1.00 0.00 H new ATOM 1674 N LYS A 111 11.359 0.511 2.936 1.00 0.00 N ATOM 1675 CA LYS A 111 10.601 0.990 4.079 1.00 0.00 C ATOM 1676 C LYS A 111 9.133 1.153 3.680 1.00 0.00 C ATOM 1677 O LYS A 111 8.236 0.866 4.472 1.00 0.00 O ATOM 1678 CB LYS A 111 11.230 2.267 4.641 1.00 0.00 C ATOM 1679 CG LYS A 111 11.230 3.384 3.597 1.00 0.00 C ATOM 1680 CD LYS A 111 12.349 4.391 3.870 1.00 0.00 C ATOM 1681 CE LYS A 111 11.948 5.795 3.414 1.00 0.00 C ATOM 1682 NZ LYS A 111 12.362 6.803 4.415 1.00 0.00 N ATOM 0 H LYS A 111 12.245 0.991 2.780 1.00 0.00 H new ATOM 0 HA LYS A 111 10.633 0.262 4.889 1.00 0.00 H new ATOM 0 HB2 LYS A 111 10.679 2.590 5.524 1.00 0.00 H new ATOM 0 HB3 LYS A 111 12.252 2.063 4.960 1.00 0.00 H new ATOM 0 HG2 LYS A 111 11.356 2.957 2.602 1.00 0.00 H new ATOM 0 HG3 LYS A 111 10.267 3.894 3.605 1.00 0.00 H new ATOM 0 HD2 LYS A 111 12.580 4.403 4.935 1.00 0.00 H new ATOM 0 HD3 LYS A 111 13.256 4.082 3.351 1.00 0.00 H new ATOM 0 HE2 LYS A 111 12.411 6.017 2.452 1.00 0.00 H new ATOM 0 HE3 LYS A 111 10.869 5.842 3.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 12.082 7.750 4.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 11.901 6.599 5.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 13.394 6.769 4.535 1.00 0.00 H new ATOM 1696 N HIS A 112 8.933 1.612 2.454 1.00 0.00 N ATOM 1697 CA HIS A 112 7.589 1.816 1.941 1.00 0.00 C ATOM 1698 C HIS A 112 6.921 0.461 1.698 1.00 0.00 C ATOM 1699 O HIS A 112 5.733 0.292 1.968 1.00 0.00 O ATOM 1700 CB HIS A 112 7.612 2.698 0.691 1.00 0.00 C ATOM 1701 CG HIS A 112 8.236 4.055 0.909 1.00 0.00 C ATOM 1702 ND1 HIS A 112 9.061 4.660 -0.023 1.00 0.00 N ATOM 1703 CD2 HIS A 112 8.146 4.919 1.961 1.00 0.00 C ATOM 1704 CE1 HIS A 112 9.445 5.834 0.457 1.00 0.00 C ATOM 1705 NE2 HIS A 112 8.877 5.992 1.687 1.00 0.00 N ATOM 0 H HIS A 112 9.679 1.849 1.800 1.00 0.00 H new ATOM 0 HA HIS A 112 6.991 2.350 2.680 1.00 0.00 H new ATOM 0 HB2 HIS A 112 8.159 2.180 -0.097 1.00 0.00 H new ATOM 0 HB3 HIS A 112 6.591 2.832 0.334 1.00 0.00 H new ATOM 0 HD1 HIS A 112 9.328 4.269 -0.926 1.00 0.00 H new ATOM 0 HD2 HIS A 112 7.576 4.757 2.864 1.00 0.00 H new ATOM 0 HE1 HIS A 112 10.094 6.541 -0.039 1.00 0.00 H new ATOM 1713 N GLN A 113 7.715 -0.471 1.190 1.00 0.00 N ATOM 1714 CA GLN A 113 7.215 -1.806 0.907 1.00 0.00 C ATOM 1715 C GLN A 113 6.849 -2.523 2.208 1.00 0.00 C ATOM 1716 O GLN A 113 7.529 -2.364 3.221 1.00 0.00 O ATOM 1717 CB GLN A 113 8.237 -2.615 0.104 1.00 0.00 C ATOM 1718 CG GLN A 113 8.729 -1.825 -1.110 1.00 0.00 C ATOM 1719 CD GLN A 113 9.576 -2.706 -2.031 1.00 0.00 C ATOM 1720 OE1 GLN A 113 10.184 -3.679 -1.615 1.00 0.00 O ATOM 1721 NE2 GLN A 113 9.582 -2.313 -3.301 1.00 0.00 N ATOM 0 H GLN A 113 8.700 -0.328 0.967 1.00 0.00 H new ATOM 0 HA GLN A 113 6.314 -1.714 0.300 1.00 0.00 H new ATOM 0 HB2 GLN A 113 9.083 -2.874 0.741 1.00 0.00 H new ATOM 0 HB3 GLN A 113 7.787 -3.552 -0.225 1.00 0.00 H new ATOM 0 HG2 GLN A 113 7.876 -1.431 -1.662 1.00 0.00 H new ATOM 0 HG3 GLN A 113 9.317 -0.969 -0.778 1.00 0.00 H new ATOM 0 HE21 GLN A 113 9.051 -1.489 -3.582 1.00 0.00 H new ATOM 0 HE22 GLN A 113 10.118 -2.836 -3.994 1.00 0.00 H new ATOM 1730 N LEU A 114 5.776 -3.296 2.139 1.00 0.00 N ATOM 1731 CA LEU A 114 5.311 -4.037 3.299 1.00 0.00 C ATOM 1732 C LEU A 114 6.156 -5.302 3.462 1.00 0.00 C ATOM 1733 O LEU A 114 6.758 -5.520 4.513 1.00 0.00 O ATOM 1734 CB LEU A 114 3.810 -4.310 3.194 1.00 0.00 C ATOM 1735 CG LEU A 114 2.927 -3.098 2.889 1.00 0.00 C ATOM 1736 CD1 LEU A 114 1.949 -3.404 1.753 1.00 0.00 C ATOM 1737 CD2 LEU A 114 2.208 -2.612 4.149 1.00 0.00 C ATOM 0 H LEU A 114 5.215 -3.426 1.297 1.00 0.00 H new ATOM 0 HA LEU A 114 5.441 -3.446 4.206 1.00 0.00 H new ATOM 0 HB2 LEU A 114 3.650 -5.056 2.415 1.00 0.00 H new ATOM 0 HB3 LEU A 114 3.475 -4.752 4.132 1.00 0.00 H new ATOM 0 HG LEU A 114 3.569 -2.285 2.551 1.00 0.00 H new ATOM 0 HD11 LEU A 114 1.333 -2.526 1.556 1.00 0.00 H new ATOM 0 HD12 LEU A 114 2.506 -3.665 0.853 1.00 0.00 H new ATOM 0 HD13 LEU A 114 1.309 -4.239 2.039 1.00 0.00 H new ATOM 0 HD21 LEU A 114 1.587 -1.750 3.904 1.00 0.00 H new ATOM 0 HD22 LEU A 114 1.580 -3.412 4.541 1.00 0.00 H new ATOM 0 HD23 LEU A 114 2.944 -2.327 4.901 1.00 0.00 H new