USER MOD reduce.3.24.130724 H: found=0, std=0, add=738, rem=0, adj=16 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 94 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 109 THR OG1 : rot 180:sc= -1.82! USER MOD Set 1.3: A 112 HIS : no HE2:sc= -0.566 K(o=-2.4,f=-7.9!) USER MOD Set 2.1: A 61 THR OG1 : rot 76:sc= 1.2 USER MOD Set 2.2: A 62 HIS : no HD1:sc= -5.34! C(o=-4.1!,f=-4.7!) 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 -134:sc= -0.0172 (180deg=-1.88) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 MET CE :methyl -164:sc= -2.93! (180deg=-3.2!) USER MOD Single : A 48 LYS NZ :NH3+ -106:sc= 1.13 (180deg=-0.637) USER MOD Single : A 54 ASN : amide:sc= -0.0769 X(o=-0.077,f=0) USER MOD Single : A 57 SER OG : rot 34:sc= 0.0261 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -3.54! C(o=-3.5!,f=-4.6!) USER MOD Single : A 68 ASN : amide:sc= -4.89! K(o=-4.9!,f=-0.97) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= -0.316 USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 80 GLN : amide:sc= -2.37 K(o=-2.4,f=-1.8) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 GLN : amide:sc=-0.00879 X(o=-0.0088,f=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= -1.83 X(o=-1.8,f=-1.3) USER MOD Single : A 99 CYS SG : rot -173:sc= -8.96! USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 GLN : amide:sc= -4.33! X(o=-4.3!,f=-4.8) USER MOD ----------------------------------------------------------------- ATOM 298 N LEU A 24 0.013 4.000 -12.361 1.00 0.00 N ATOM 299 CA LEU A 24 0.170 4.382 -10.968 1.00 0.00 C ATOM 300 C LEU A 24 -1.167 4.213 -10.243 1.00 0.00 C ATOM 301 O LEU A 24 -1.591 5.099 -9.503 1.00 0.00 O ATOM 302 CB LEU A 24 0.754 5.792 -10.861 1.00 0.00 C ATOM 303 CG LEU A 24 1.883 5.975 -9.844 1.00 0.00 C ATOM 304 CD1 LEU A 24 1.355 5.859 -8.412 1.00 0.00 C ATOM 305 CD2 LEU A 24 3.028 4.997 -10.113 1.00 0.00 C ATOM 0 HA LEU A 24 0.887 3.727 -10.472 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.125 6.086 -11.843 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -0.053 6.480 -10.606 1.00 0.00 H new ATOM 0 HG LEU A 24 2.286 6.981 -9.959 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.177 5.993 -7.709 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.601 6.627 -8.239 1.00 0.00 H new ATOM 0 HD13 LEU A 24 0.910 4.875 -8.267 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.817 5.149 -9.376 1.00 0.00 H new ATOM 0 HD22 LEU A 24 2.657 3.974 -10.043 1.00 0.00 H new ATOM 0 HD23 LEU A 24 3.427 5.170 -11.112 1.00 0.00 H new ATOM 317 N VAL A 25 -1.793 3.070 -10.482 1.00 0.00 N ATOM 318 CA VAL A 25 -3.073 2.775 -9.862 1.00 0.00 C ATOM 319 C VAL A 25 -2.851 2.417 -8.391 1.00 0.00 C ATOM 320 O VAL A 25 -2.431 1.305 -8.075 1.00 0.00 O ATOM 321 CB VAL A 25 -3.791 1.672 -10.643 1.00 0.00 C ATOM 322 CG1 VAL A 25 -5.242 1.528 -10.180 1.00 0.00 C ATOM 323 CG2 VAL A 25 -3.719 1.933 -12.149 1.00 0.00 C ATOM 0 H VAL A 25 -1.437 2.337 -11.096 1.00 0.00 H new ATOM 0 HA VAL A 25 -3.722 3.650 -9.890 1.00 0.00 H new ATOM 0 HB VAL A 25 -3.280 0.730 -10.441 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -5.729 0.738 -10.751 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -5.262 1.275 -9.120 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -5.770 2.468 -10.339 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -4.236 1.135 -12.682 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -4.193 2.888 -12.376 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -2.676 1.962 -12.464 1.00 0.00 H new ATOM 333 N VAL A 26 -3.144 3.381 -7.530 1.00 0.00 N ATOM 334 CA VAL A 26 -2.982 3.182 -6.100 1.00 0.00 C ATOM 335 C VAL A 26 -4.282 2.625 -5.516 1.00 0.00 C ATOM 336 O VAL A 26 -5.356 3.179 -5.743 1.00 0.00 O ATOM 337 CB VAL A 26 -2.540 4.488 -5.436 1.00 0.00 C ATOM 338 CG1 VAL A 26 -2.524 4.350 -3.912 1.00 0.00 C ATOM 339 CG2 VAL A 26 -1.174 4.935 -5.961 1.00 0.00 C ATOM 0 H VAL A 26 -3.493 4.302 -7.796 1.00 0.00 H new ATOM 0 HA VAL A 26 -2.198 2.451 -5.903 1.00 0.00 H new ATOM 0 HB VAL A 26 -3.266 5.258 -5.695 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.206 5.292 -3.465 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -3.524 4.100 -3.559 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.830 3.560 -3.625 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -0.883 5.865 -5.473 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -0.432 4.166 -5.747 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.232 5.093 -7.038 1.00 0.00 H new ATOM 349 N PHE A 27 -4.141 1.535 -4.776 1.00 0.00 N ATOM 350 CA PHE A 27 -5.291 0.896 -4.158 1.00 0.00 C ATOM 351 C PHE A 27 -5.087 0.740 -2.650 1.00 0.00 C ATOM 352 O PHE A 27 -4.229 -0.025 -2.212 1.00 0.00 O ATOM 353 CB PHE A 27 -5.425 -0.491 -4.789 1.00 0.00 C ATOM 354 CG PHE A 27 -6.558 -1.335 -4.201 1.00 0.00 C ATOM 355 CD1 PHE A 27 -7.833 -1.164 -4.642 1.00 0.00 C ATOM 356 CD2 PHE A 27 -6.290 -2.256 -3.237 1.00 0.00 C ATOM 357 CE1 PHE A 27 -8.884 -1.948 -4.097 1.00 0.00 C ATOM 358 CE2 PHE A 27 -7.341 -3.040 -2.692 1.00 0.00 C ATOM 359 CZ PHE A 27 -8.616 -2.869 -3.133 1.00 0.00 C ATOM 0 H PHE A 27 -3.248 1.078 -4.590 1.00 0.00 H new ATOM 0 HA PHE A 27 -6.183 1.502 -4.316 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -5.589 -0.377 -5.861 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -4.484 -1.028 -4.666 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -8.046 -0.432 -5.407 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -5.278 -2.391 -2.886 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -9.896 -1.813 -4.448 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -7.128 -3.772 -1.927 1.00 0.00 H new ATOM 0 HZ PHE A 27 -9.416 -3.465 -2.718 1.00 0.00 H new ATOM 369 N ILE A 28 -5.890 1.478 -1.897 1.00 0.00 N ATOM 370 CA ILE A 28 -5.808 1.430 -0.447 1.00 0.00 C ATOM 371 C ILE A 28 -6.604 0.228 0.066 1.00 0.00 C ATOM 372 O ILE A 28 -7.604 -0.161 -0.535 1.00 0.00 O ATOM 373 CB ILE A 28 -6.250 2.764 0.159 1.00 0.00 C ATOM 374 CG1 ILE A 28 -5.265 3.880 -0.194 1.00 0.00 C ATOM 375 CG2 ILE A 28 -6.457 2.639 1.670 1.00 0.00 C ATOM 376 CD1 ILE A 28 -5.766 5.234 0.313 1.00 0.00 C ATOM 0 H ILE A 28 -6.600 2.112 -2.264 1.00 0.00 H new ATOM 0 HA ILE A 28 -4.775 1.288 -0.129 1.00 0.00 H new ATOM 0 HB ILE A 28 -7.212 3.034 -0.276 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -4.291 3.662 0.243 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -5.128 3.920 -1.275 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -6.771 3.601 2.075 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -7.225 1.893 1.871 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -5.523 2.334 2.141 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -5.047 6.010 0.049 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -6.729 5.460 -0.145 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -5.879 5.198 1.397 1.00 0.00 H new ATOM 388 N LEU A 29 -6.130 -0.327 1.172 1.00 0.00 N ATOM 389 CA LEU A 29 -6.784 -1.477 1.772 1.00 0.00 C ATOM 390 C LEU A 29 -7.609 -1.017 2.976 1.00 0.00 C ATOM 391 O LEU A 29 -7.059 -0.511 3.953 1.00 0.00 O ATOM 392 CB LEU A 29 -5.760 -2.562 2.107 1.00 0.00 C ATOM 393 CG LEU A 29 -6.330 -3.898 2.589 1.00 0.00 C ATOM 394 CD1 LEU A 29 -7.076 -4.614 1.461 1.00 0.00 C ATOM 395 CD2 LEU A 29 -5.235 -4.774 3.199 1.00 0.00 C ATOM 0 H LEU A 29 -5.300 -0.001 1.668 1.00 0.00 H new ATOM 0 HA LEU A 29 -7.477 -1.933 1.065 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -5.154 -2.747 1.220 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -5.091 -2.177 2.876 1.00 0.00 H new ATOM 0 HG LEU A 29 -7.055 -3.696 3.377 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -7.471 -5.561 1.830 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -7.898 -3.988 1.114 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -6.391 -4.804 0.635 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -5.668 -5.717 3.533 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -4.468 -4.972 2.450 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -4.788 -4.258 4.049 1.00 0.00 H new ATOM 407 N GLU A 30 -8.915 -1.210 2.866 1.00 0.00 N ATOM 408 CA GLU A 30 -9.821 -0.822 3.934 1.00 0.00 C ATOM 409 C GLU A 30 -9.426 -1.510 5.242 1.00 0.00 C ATOM 410 O GLU A 30 -9.319 -0.861 6.281 1.00 0.00 O ATOM 411 CB GLU A 30 -11.272 -1.139 3.564 1.00 0.00 C ATOM 412 CG GLU A 30 -12.230 -0.691 4.669 1.00 0.00 C ATOM 413 CD GLU A 30 -12.721 -1.887 5.488 1.00 0.00 C ATOM 414 OE1 GLU A 30 -13.446 -2.718 4.900 1.00 0.00 O ATOM 415 OE2 GLU A 30 -12.359 -1.943 6.683 1.00 0.00 O ATOM 0 H GLU A 30 -9.368 -1.630 2.054 1.00 0.00 H new ATOM 0 HA GLU A 30 -9.744 0.256 4.076 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -11.530 -0.640 2.630 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -11.382 -2.210 3.394 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -11.728 0.021 5.324 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -13.082 -0.173 4.229 1.00 0.00 H new ATOM 422 N LYS A 31 -9.220 -2.816 5.148 1.00 0.00 N ATOM 423 CA LYS A 31 -8.838 -3.599 6.311 1.00 0.00 C ATOM 424 C LYS A 31 -7.866 -2.788 7.170 1.00 0.00 C ATOM 425 O LYS A 31 -6.825 -2.346 6.686 1.00 0.00 O ATOM 426 CB LYS A 31 -8.292 -4.962 5.883 1.00 0.00 C ATOM 427 CG LYS A 31 -9.256 -5.663 4.924 1.00 0.00 C ATOM 428 CD LYS A 31 -9.244 -7.177 5.145 1.00 0.00 C ATOM 429 CE LYS A 31 -10.550 -7.812 4.660 1.00 0.00 C ATOM 430 NZ LYS A 31 -11.094 -8.727 5.688 1.00 0.00 N ATOM 0 H LYS A 31 -9.310 -3.351 4.284 1.00 0.00 H new ATOM 0 HA LYS A 31 -9.709 -3.811 6.931 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -7.323 -4.834 5.401 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -8.131 -5.586 6.762 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -10.265 -5.278 5.071 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -8.977 -5.440 3.894 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -8.401 -7.619 4.614 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -9.102 -7.393 6.204 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -11.279 -7.033 4.436 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -10.373 -8.359 3.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -11.980 -9.149 5.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -10.404 -9.480 5.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -11.281 -8.195 6.562 1.00 0.00 H new ATOM 444 N LYS A 32 -8.239 -2.617 8.429 1.00 0.00 N ATOM 445 CA LYS A 32 -7.413 -1.867 9.360 1.00 0.00 C ATOM 446 C LYS A 32 -7.413 -0.390 8.959 1.00 0.00 C ATOM 447 O LYS A 32 -6.353 0.209 8.785 1.00 0.00 O ATOM 448 CB LYS A 32 -6.014 -2.480 9.448 1.00 0.00 C ATOM 449 CG LYS A 32 -5.929 -3.489 10.595 1.00 0.00 C ATOM 450 CD LYS A 32 -4.904 -4.583 10.289 1.00 0.00 C ATOM 451 CE LYS A 32 -4.205 -5.052 11.567 1.00 0.00 C ATOM 452 NZ LYS A 32 -3.939 -6.507 11.508 1.00 0.00 N ATOM 0 H LYS A 32 -9.103 -2.985 8.827 1.00 0.00 H new ATOM 0 HA LYS A 32 -7.825 -1.925 10.367 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -5.769 -2.972 8.507 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -5.276 -1.692 9.597 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -5.654 -2.975 11.516 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -6.908 -3.939 10.761 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -5.400 -5.428 9.811 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -4.164 -4.206 9.583 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -3.268 -4.510 11.696 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -4.827 -4.825 12.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -3.464 -6.809 12.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -4.838 -7.020 11.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -3.328 -6.715 10.693 1.00 0.00 H new ATOM 466 N MET A 33 -8.613 0.154 8.826 1.00 0.00 N ATOM 467 CA MET A 33 -8.765 1.549 8.450 1.00 0.00 C ATOM 468 C MET A 33 -10.243 1.935 8.359 1.00 0.00 C ATOM 469 O MET A 33 -10.741 2.695 9.188 1.00 0.00 O ATOM 470 CB MET A 33 -8.091 1.789 7.097 1.00 0.00 C ATOM 471 CG MET A 33 -7.709 3.261 6.929 1.00 0.00 C ATOM 472 SD MET A 33 -7.315 3.598 5.221 1.00 0.00 S ATOM 473 CE MET A 33 -5.812 2.650 5.056 1.00 0.00 C ATOM 0 H MET A 33 -9.490 -0.346 8.972 1.00 0.00 H new ATOM 0 HA MET A 33 -8.294 2.166 9.216 1.00 0.00 H new ATOM 0 HB2 MET A 33 -7.200 1.167 7.015 1.00 0.00 H new ATOM 0 HB3 MET A 33 -8.764 1.490 6.293 1.00 0.00 H new ATOM 0 HG2 MET A 33 -8.532 3.898 7.254 1.00 0.00 H new ATOM 0 HG3 MET A 33 -6.854 3.498 7.562 1.00 0.00 H new ATOM 0 HE1 MET A 33 -5.057 3.250 4.548 1.00 0.00 H new ATOM 0 HE2 MET A 33 -5.448 2.370 6.045 1.00 0.00 H new ATOM 0 HE3 MET A 33 -6.012 1.750 4.475 1.00 0.00 H new ATOM 483 N GLY A 34 -10.902 1.393 7.345 1.00 0.00 N ATOM 484 CA GLY A 34 -12.313 1.671 7.136 1.00 0.00 C ATOM 485 C GLY A 34 -12.552 2.277 5.752 1.00 0.00 C ATOM 486 O GLY A 34 -11.665 2.260 4.900 1.00 0.00 O ATOM 0 H GLY A 34 -10.485 0.763 6.660 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -12.888 0.751 7.238 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -12.670 2.357 7.904 1.00 0.00 H new ATOM 490 N THR A 35 -13.757 2.799 5.570 1.00 0.00 N ATOM 491 CA THR A 35 -14.124 3.409 4.303 1.00 0.00 C ATOM 492 C THR A 35 -13.773 4.898 4.307 1.00 0.00 C ATOM 493 O THR A 35 -13.271 5.424 3.315 1.00 0.00 O ATOM 494 CB THR A 35 -15.610 3.136 4.060 1.00 0.00 C ATOM 495 OG1 THR A 35 -15.659 1.749 3.736 1.00 0.00 O ATOM 496 CG2 THR A 35 -16.136 3.832 2.803 1.00 0.00 C ATOM 0 H THR A 35 -14.491 2.812 6.278 1.00 0.00 H new ATOM 0 HA THR A 35 -13.560 2.976 3.477 1.00 0.00 H new ATOM 0 HB THR A 35 -16.186 3.466 4.925 1.00 0.00 H new ATOM 0 HG1 THR A 35 -16.587 1.486 3.565 1.00 0.00 H new ATOM 0 HG21 THR A 35 -17.195 3.605 2.678 1.00 0.00 H new ATOM 0 HG22 THR A 35 -16.005 4.910 2.902 1.00 0.00 H new ATOM 0 HG23 THR A 35 -15.583 3.478 1.933 1.00 0.00 H new ATOM 504 N THR A 36 -14.052 5.536 5.434 1.00 0.00 N ATOM 505 CA THR A 36 -13.772 6.955 5.580 1.00 0.00 C ATOM 506 C THR A 36 -12.308 7.246 5.246 1.00 0.00 C ATOM 507 O THR A 36 -12.011 7.861 4.223 1.00 0.00 O ATOM 508 CB THR A 36 -14.166 7.371 6.999 1.00 0.00 C ATOM 509 OG1 THR A 36 -15.574 7.155 7.046 1.00 0.00 O ATOM 510 CG2 THR A 36 -14.012 8.875 7.232 1.00 0.00 C ATOM 0 H THR A 36 -14.469 5.097 6.255 1.00 0.00 H new ATOM 0 HA THR A 36 -14.357 7.548 4.878 1.00 0.00 H new ATOM 0 HB THR A 36 -13.555 6.828 7.719 1.00 0.00 H new ATOM 0 HG1 THR A 36 -15.913 7.398 7.933 1.00 0.00 H new ATOM 0 HG21 THR A 36 -14.305 9.117 8.254 1.00 0.00 H new ATOM 0 HG22 THR A 36 -12.973 9.163 7.074 1.00 0.00 H new ATOM 0 HG23 THR A 36 -14.649 9.418 6.534 1.00 0.00 H new ATOM 518 N ARG A 37 -11.431 6.791 6.129 1.00 0.00 N ATOM 519 CA ARG A 37 -10.004 6.996 5.940 1.00 0.00 C ATOM 520 C ARG A 37 -9.577 6.507 4.555 1.00 0.00 C ATOM 521 O ARG A 37 -9.038 7.276 3.761 1.00 0.00 O ATOM 522 CB ARG A 37 -9.196 6.255 7.007 1.00 0.00 C ATOM 523 CG ARG A 37 -8.700 7.218 8.088 1.00 0.00 C ATOM 524 CD ARG A 37 -7.232 6.954 8.426 1.00 0.00 C ATOM 525 NE ARG A 37 -6.711 8.033 9.294 1.00 0.00 N ATOM 526 CZ ARG A 37 -5.410 8.225 9.556 1.00 0.00 C ATOM 527 NH1 ARG A 37 -4.492 7.411 9.018 1.00 0.00 N ATOM 528 NH2 ARG A 37 -5.029 9.230 10.356 1.00 0.00 N ATOM 0 H ARG A 37 -11.680 6.281 6.977 1.00 0.00 H new ATOM 0 HA ARG A 37 -9.807 8.064 6.028 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -9.812 5.479 7.461 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -8.346 5.755 6.542 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -8.819 8.246 7.746 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -9.309 7.108 8.985 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -7.133 5.992 8.929 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -6.644 6.897 7.510 1.00 0.00 H new ATOM 0 HE ARG A 37 -7.384 8.671 9.720 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -4.783 6.646 8.410 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -3.502 7.556 9.217 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -5.729 9.849 10.766 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -4.039 9.376 10.555 1.00 0.00 H new ATOM 542 N ARG A 38 -9.833 5.231 4.307 1.00 0.00 N ATOM 543 CA ARG A 38 -9.481 4.631 3.032 1.00 0.00 C ATOM 544 C ARG A 38 -9.911 5.542 1.880 1.00 0.00 C ATOM 545 O ARG A 38 -9.078 5.991 1.095 1.00 0.00 O ATOM 546 CB ARG A 38 -10.145 3.262 2.865 1.00 0.00 C ATOM 547 CG ARG A 38 -9.897 2.700 1.465 1.00 0.00 C ATOM 548 CD ARG A 38 -10.583 1.343 1.289 1.00 0.00 C ATOM 549 NE ARG A 38 -11.112 1.217 -0.087 1.00 0.00 N ATOM 550 CZ ARG A 38 -12.322 1.646 -0.469 1.00 0.00 C ATOM 551 NH1 ARG A 38 -13.137 2.230 0.420 1.00 0.00 N ATOM 552 NH2 ARG A 38 -12.719 1.490 -1.739 1.00 0.00 N ATOM 0 H ARG A 38 -10.280 4.596 4.968 1.00 0.00 H new ATOM 0 HA ARG A 38 -8.399 4.502 3.014 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -9.755 2.571 3.612 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -11.217 3.350 3.041 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -10.270 3.400 0.717 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -8.825 2.594 1.296 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -9.874 0.539 1.490 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -11.394 1.240 2.010 1.00 0.00 H new ATOM 0 HE ARG A 38 -10.518 0.776 -0.789 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -12.836 2.348 1.387 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -14.058 2.557 0.129 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -12.100 1.044 -2.416 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -13.641 1.817 -2.029 1.00 0.00 H new ATOM 566 N ALA A 39 -11.212 5.788 1.816 1.00 0.00 N ATOM 567 CA ALA A 39 -11.762 6.637 0.774 1.00 0.00 C ATOM 568 C ALA A 39 -11.087 8.009 0.829 1.00 0.00 C ATOM 569 O ALA A 39 -10.706 8.559 -0.203 1.00 0.00 O ATOM 570 CB ALA A 39 -13.281 6.728 0.938 1.00 0.00 C ATOM 0 H ALA A 39 -11.900 5.414 2.469 1.00 0.00 H new ATOM 0 HA ALA A 39 -11.565 6.212 -0.210 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -13.694 7.365 0.156 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -13.716 5.731 0.861 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -13.517 7.152 1.914 1.00 0.00 H new ATOM 576 N LEU A 40 -10.959 8.521 2.044 1.00 0.00 N ATOM 577 CA LEU A 40 -10.336 9.818 2.248 1.00 0.00 C ATOM 578 C LEU A 40 -8.942 9.814 1.617 1.00 0.00 C ATOM 579 O LEU A 40 -8.715 10.471 0.602 1.00 0.00 O ATOM 580 CB LEU A 40 -10.337 10.186 3.733 1.00 0.00 C ATOM 581 CG LEU A 40 -9.930 11.622 4.069 1.00 0.00 C ATOM 582 CD1 LEU A 40 -10.163 12.551 2.876 1.00 0.00 C ATOM 583 CD2 LEU A 40 -10.646 12.114 5.328 1.00 0.00 C ATOM 0 H LEU A 40 -11.276 8.061 2.897 1.00 0.00 H new ATOM 0 HA LEU A 40 -10.911 10.599 1.750 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -11.337 10.011 4.130 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.663 9.507 4.256 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.861 11.634 4.282 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -9.866 13.566 3.141 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -9.570 12.209 2.028 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -11.219 12.541 2.608 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -10.339 13.137 5.545 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -11.724 12.085 5.169 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -10.386 11.471 6.169 1.00 0.00 H new ATOM 595 N LEU A 41 -8.046 9.067 2.243 1.00 0.00 N ATOM 596 CA LEU A 41 -6.681 8.969 1.755 1.00 0.00 C ATOM 597 C LEU A 41 -6.699 8.761 0.240 1.00 0.00 C ATOM 598 O LEU A 41 -5.920 9.380 -0.485 1.00 0.00 O ATOM 599 CB LEU A 41 -5.917 7.882 2.515 1.00 0.00 C ATOM 600 CG LEU A 41 -5.586 8.193 3.976 1.00 0.00 C ATOM 601 CD1 LEU A 41 -5.171 6.925 4.726 1.00 0.00 C ATOM 602 CD2 LEU A 41 -4.525 9.291 4.077 1.00 0.00 C ATOM 0 H LEU A 41 -8.238 8.523 3.084 1.00 0.00 H new ATOM 0 HA LEU A 41 -6.142 9.897 1.944 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -6.503 6.964 2.483 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.985 7.683 1.986 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.488 8.572 4.457 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.941 7.174 5.762 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -5.987 6.203 4.699 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -4.289 6.494 4.252 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.309 9.492 5.126 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.614 8.964 3.575 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -4.895 10.200 3.602 1.00 0.00 H new ATOM 614 N MET A 42 -7.596 7.889 -0.196 1.00 0.00 N ATOM 615 CA MET A 42 -7.726 7.593 -1.612 1.00 0.00 C ATOM 616 C MET A 42 -8.073 8.854 -2.407 1.00 0.00 C ATOM 617 O MET A 42 -7.534 9.076 -3.490 1.00 0.00 O ATOM 618 CB MET A 42 -8.821 6.544 -1.816 1.00 0.00 C ATOM 619 CG MET A 42 -8.264 5.129 -1.644 1.00 0.00 C ATOM 620 SD MET A 42 -9.224 3.974 -2.608 1.00 0.00 S ATOM 621 CE MET A 42 -10.870 4.567 -2.254 1.00 0.00 C ATOM 0 H MET A 42 -8.240 7.378 0.407 1.00 0.00 H new ATOM 0 HA MET A 42 -6.771 7.210 -1.973 1.00 0.00 H new ATOM 0 HB2 MET A 42 -9.627 6.711 -1.101 1.00 0.00 H new ATOM 0 HB3 MET A 42 -9.251 6.651 -2.812 1.00 0.00 H new ATOM 0 HG2 MET A 42 -7.221 5.099 -1.959 1.00 0.00 H new ATOM 0 HG3 MET A 42 -8.288 4.845 -0.592 1.00 0.00 H new ATOM 0 HE1 MET A 42 -11.599 3.807 -2.535 1.00 0.00 H new ATOM 0 HE2 MET A 42 -10.959 4.779 -1.188 1.00 0.00 H new ATOM 0 HE3 MET A 42 -11.059 5.478 -2.822 1.00 0.00 H new ATOM 631 N GLU A 43 -8.969 9.646 -1.837 1.00 0.00 N ATOM 632 CA GLU A 43 -9.394 10.878 -2.479 1.00 0.00 C ATOM 633 C GLU A 43 -8.289 11.932 -2.387 1.00 0.00 C ATOM 634 O GLU A 43 -8.090 12.711 -3.318 1.00 0.00 O ATOM 635 CB GLU A 43 -10.697 11.395 -1.866 1.00 0.00 C ATOM 636 CG GLU A 43 -10.785 12.919 -1.968 1.00 0.00 C ATOM 637 CD GLU A 43 -12.184 13.414 -1.596 1.00 0.00 C ATOM 638 OE1 GLU A 43 -13.126 13.067 -2.342 1.00 0.00 O ATOM 639 OE2 GLU A 43 -12.281 14.127 -0.575 1.00 0.00 O ATOM 0 H GLU A 43 -9.412 9.459 -0.938 1.00 0.00 H new ATOM 0 HA GLU A 43 -9.584 10.669 -3.532 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -11.547 10.943 -2.377 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -10.756 11.093 -0.820 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -10.047 13.374 -1.308 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -10.542 13.234 -2.983 1.00 0.00 H new ATOM 646 N LEU A 44 -7.599 11.923 -1.255 1.00 0.00 N ATOM 647 CA LEU A 44 -6.519 12.869 -1.030 1.00 0.00 C ATOM 648 C LEU A 44 -5.426 12.648 -2.078 1.00 0.00 C ATOM 649 O LEU A 44 -4.921 13.604 -2.663 1.00 0.00 O ATOM 650 CB LEU A 44 -6.017 12.774 0.412 1.00 0.00 C ATOM 651 CG LEU A 44 -7.022 13.159 1.500 1.00 0.00 C ATOM 652 CD1 LEU A 44 -6.332 13.896 2.649 1.00 0.00 C ATOM 653 CD2 LEU A 44 -8.181 13.968 0.914 1.00 0.00 C ATOM 0 H LEU A 44 -7.767 11.276 -0.485 1.00 0.00 H new ATOM 0 HA LEU A 44 -6.876 13.892 -1.153 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -5.689 11.751 0.595 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -5.140 13.413 0.513 1.00 0.00 H new ATOM 0 HG LEU A 44 -7.445 12.243 1.913 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -7.069 14.158 3.408 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -5.571 13.252 3.089 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -5.864 14.804 2.270 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -8.881 14.229 1.708 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -7.794 14.879 0.457 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -8.695 13.373 0.159 1.00 0.00 H new ATOM 665 N ALA A 45 -5.094 11.382 -2.282 1.00 0.00 N ATOM 666 CA ALA A 45 -4.071 11.024 -3.249 1.00 0.00 C ATOM 667 C ALA A 45 -4.529 11.440 -4.648 1.00 0.00 C ATOM 668 O ALA A 45 -3.738 11.955 -5.437 1.00 0.00 O ATOM 669 CB ALA A 45 -3.779 9.525 -3.153 1.00 0.00 C ATOM 0 H ALA A 45 -5.515 10.592 -1.794 1.00 0.00 H new ATOM 0 HA ALA A 45 -3.141 11.552 -3.036 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -3.011 9.257 -3.879 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -3.428 9.286 -2.149 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -4.689 8.963 -3.363 1.00 0.00 H new ATOM 675 N ARG A 46 -5.805 11.201 -4.914 1.00 0.00 N ATOM 676 CA ARG A 46 -6.378 11.544 -6.204 1.00 0.00 C ATOM 677 C ARG A 46 -6.131 13.021 -6.519 1.00 0.00 C ATOM 678 O ARG A 46 -5.781 13.369 -7.645 1.00 0.00 O ATOM 679 CB ARG A 46 -7.883 11.269 -6.229 1.00 0.00 C ATOM 680 CG ARG A 46 -8.169 9.814 -6.603 1.00 0.00 C ATOM 681 CD ARG A 46 -9.673 9.534 -6.610 1.00 0.00 C ATOM 682 NE ARG A 46 -10.256 9.937 -7.909 1.00 0.00 N ATOM 683 CZ ARG A 46 -11.519 9.682 -8.277 1.00 0.00 C ATOM 684 NH1 ARG A 46 -12.339 9.023 -7.446 1.00 0.00 N ATOM 685 NH2 ARG A 46 -11.963 10.085 -9.476 1.00 0.00 N ATOM 0 H ARG A 46 -6.458 10.774 -4.257 1.00 0.00 H new ATOM 0 HA ARG A 46 -5.894 10.922 -6.957 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -8.312 11.488 -5.251 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -8.366 11.934 -6.945 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -7.751 9.599 -7.586 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -7.675 9.149 -5.894 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -9.855 8.474 -6.434 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -10.157 10.080 -5.800 1.00 0.00 H new ATOM 0 HE ARG A 46 -9.659 10.440 -8.565 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -12.001 8.716 -6.534 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -13.300 8.829 -7.726 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -11.339 10.586 -10.109 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -12.924 9.891 -9.756 1.00 0.00 H new ATOM 699 N ARG A 47 -6.322 13.849 -5.503 1.00 0.00 N ATOM 700 CA ARG A 47 -6.124 15.281 -5.657 1.00 0.00 C ATOM 701 C ARG A 47 -4.728 15.567 -6.213 1.00 0.00 C ATOM 702 O ARG A 47 -4.480 16.643 -6.754 1.00 0.00 O ATOM 703 CB ARG A 47 -6.292 16.007 -4.320 1.00 0.00 C ATOM 704 CG ARG A 47 -7.764 16.061 -3.907 1.00 0.00 C ATOM 705 CD ARG A 47 -7.906 16.087 -2.384 1.00 0.00 C ATOM 706 NE ARG A 47 -8.421 17.404 -1.946 1.00 0.00 N ATOM 707 CZ ARG A 47 -7.671 18.510 -1.848 1.00 0.00 C ATOM 708 NH1 ARG A 47 -6.368 18.464 -2.157 1.00 0.00 N ATOM 709 NH2 ARG A 47 -8.224 19.661 -1.442 1.00 0.00 N ATOM 0 H ARG A 47 -6.612 13.556 -4.570 1.00 0.00 H new ATOM 0 HA ARG A 47 -6.878 15.647 -6.354 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -5.713 15.497 -3.550 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -5.895 17.019 -4.399 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -8.233 16.947 -4.335 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -8.290 15.196 -4.310 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -8.583 15.297 -2.060 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -6.941 15.891 -1.917 1.00 0.00 H new ATOM 0 HE ARG A 47 -9.409 17.474 -1.703 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -5.948 17.588 -2.467 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -5.796 19.305 -2.083 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -9.216 19.695 -1.207 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -7.653 20.503 -1.367 1.00 0.00 H new ATOM 723 N LYS A 48 -3.852 14.584 -6.060 1.00 0.00 N ATOM 724 CA LYS A 48 -2.487 14.716 -6.540 1.00 0.00 C ATOM 725 C LYS A 48 -2.447 14.414 -8.039 1.00 0.00 C ATOM 726 O LYS A 48 -1.530 14.842 -8.738 1.00 0.00 O ATOM 727 CB LYS A 48 -1.541 13.846 -5.711 1.00 0.00 C ATOM 728 CG LYS A 48 -1.814 14.010 -4.215 1.00 0.00 C ATOM 729 CD LYS A 48 -1.626 15.465 -3.780 1.00 0.00 C ATOM 730 CE LYS A 48 -1.372 15.558 -2.274 1.00 0.00 C ATOM 731 NZ LYS A 48 -0.587 16.772 -1.955 1.00 0.00 N ATOM 0 H LYS A 48 -4.061 13.693 -5.610 1.00 0.00 H new ATOM 0 HA LYS A 48 -2.135 15.740 -6.412 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -1.662 12.800 -5.994 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -0.508 14.118 -5.928 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -2.831 13.688 -3.990 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -1.142 13.367 -3.646 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -0.789 15.905 -4.322 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -2.513 16.043 -4.039 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -2.322 15.581 -1.740 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -0.836 14.672 -1.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 0.390 16.502 -1.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -0.584 17.409 -2.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -1.015 17.258 -1.141 1.00 0.00 H new ATOM 745 N GLY A 49 -3.453 13.678 -8.489 1.00 0.00 N ATOM 746 CA GLY A 49 -3.544 13.313 -9.893 1.00 0.00 C ATOM 747 C GLY A 49 -3.397 11.801 -10.077 1.00 0.00 C ATOM 748 O GLY A 49 -3.486 11.297 -11.195 1.00 0.00 O ATOM 0 H GLY A 49 -4.212 13.325 -7.906 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -4.502 13.641 -10.296 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -2.767 13.829 -10.458 1.00 0.00 H new ATOM 752 N PHE A 50 -3.174 11.120 -8.962 1.00 0.00 N ATOM 753 CA PHE A 50 -3.014 9.676 -8.986 1.00 0.00 C ATOM 754 C PHE A 50 -4.286 8.992 -9.491 1.00 0.00 C ATOM 755 O PHE A 50 -5.316 9.641 -9.668 1.00 0.00 O ATOM 756 CB PHE A 50 -2.746 9.232 -7.547 1.00 0.00 C ATOM 757 CG PHE A 50 -1.263 9.195 -7.173 1.00 0.00 C ATOM 758 CD1 PHE A 50 -0.349 8.726 -8.063 1.00 0.00 C ATOM 759 CD2 PHE A 50 -0.860 9.631 -5.949 1.00 0.00 C ATOM 760 CE1 PHE A 50 1.028 8.692 -7.716 1.00 0.00 C ATOM 761 CE2 PHE A 50 0.517 9.597 -5.602 1.00 0.00 C ATOM 762 CZ PHE A 50 1.431 9.128 -6.492 1.00 0.00 C ATOM 0 H PHE A 50 -3.100 11.542 -8.036 1.00 0.00 H new ATOM 0 HA PHE A 50 -2.197 9.403 -9.654 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -3.265 9.907 -6.867 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -3.172 8.240 -7.398 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -0.670 8.379 -9.034 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -1.587 10.003 -5.242 1.00 0.00 H new ATOM 0 HE1 PHE A 50 1.755 8.320 -8.423 1.00 0.00 H new ATOM 0 HE2 PHE A 50 0.838 9.944 -4.631 1.00 0.00 H new ATOM 0 HZ PHE A 50 2.478 9.101 -6.227 1.00 0.00 H new ATOM 772 N ARG A 51 -4.173 7.690 -9.707 1.00 0.00 N ATOM 773 CA ARG A 51 -5.301 6.911 -10.188 1.00 0.00 C ATOM 774 C ARG A 51 -5.757 5.919 -9.115 1.00 0.00 C ATOM 775 O ARG A 51 -5.464 4.727 -9.202 1.00 0.00 O ATOM 776 CB ARG A 51 -4.939 6.144 -11.461 1.00 0.00 C ATOM 777 CG ARG A 51 -6.120 5.302 -11.949 1.00 0.00 C ATOM 778 CD ARG A 51 -5.732 4.473 -13.175 1.00 0.00 C ATOM 779 NE ARG A 51 -6.879 4.378 -14.105 1.00 0.00 N ATOM 780 CZ ARG A 51 -6.784 3.960 -15.375 1.00 0.00 C ATOM 781 NH1 ARG A 51 -5.595 3.596 -15.873 1.00 0.00 N ATOM 782 NH2 ARG A 51 -7.879 3.906 -16.146 1.00 0.00 N ATOM 0 H ARG A 51 -3.318 7.155 -9.558 1.00 0.00 H new ATOM 0 HA ARG A 51 -6.110 7.605 -10.414 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -4.642 6.846 -12.240 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -4.082 5.498 -11.269 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -6.455 4.641 -11.150 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -6.958 5.953 -12.196 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -4.881 4.931 -13.679 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -5.420 3.475 -12.866 1.00 0.00 H new ATOM 0 HE ARG A 51 -7.800 4.647 -13.758 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -4.762 3.637 -15.286 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -5.523 3.278 -16.839 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -8.784 4.183 -15.766 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -7.807 3.588 -17.112 1.00 0.00 H new ATOM 796 N VAL A 52 -6.465 6.447 -8.128 1.00 0.00 N ATOM 797 CA VAL A 52 -6.964 5.623 -7.040 1.00 0.00 C ATOM 798 C VAL A 52 -8.218 4.879 -7.503 1.00 0.00 C ATOM 799 O VAL A 52 -8.936 5.353 -8.383 1.00 0.00 O ATOM 800 CB VAL A 52 -7.203 6.484 -5.799 1.00 0.00 C ATOM 801 CG1 VAL A 52 -7.640 5.625 -4.611 1.00 0.00 C ATOM 802 CG2 VAL A 52 -5.960 7.306 -5.454 1.00 0.00 C ATOM 0 H VAL A 52 -6.705 7.436 -8.059 1.00 0.00 H new ATOM 0 HA VAL A 52 -6.226 4.872 -6.760 1.00 0.00 H new ATOM 0 HB VAL A 52 -8.012 7.179 -6.025 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -7.803 6.262 -3.742 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -8.565 5.105 -4.859 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -6.863 4.895 -4.385 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -6.157 7.909 -4.568 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.123 6.636 -5.258 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -5.713 7.960 -6.290 1.00 0.00 H new ATOM 812 N GLU A 53 -8.444 3.727 -6.890 1.00 0.00 N ATOM 813 CA GLU A 53 -9.600 2.913 -7.227 1.00 0.00 C ATOM 814 C GLU A 53 -10.318 2.457 -5.956 1.00 0.00 C ATOM 815 O GLU A 53 -9.676 2.149 -4.953 1.00 0.00 O ATOM 816 CB GLU A 53 -9.194 1.715 -8.088 1.00 0.00 C ATOM 817 CG GLU A 53 -8.329 2.156 -9.270 1.00 0.00 C ATOM 818 CD GLU A 53 -9.189 2.762 -10.382 1.00 0.00 C ATOM 819 OE1 GLU A 53 -10.164 3.460 -10.029 1.00 0.00 O ATOM 820 OE2 GLU A 53 -8.851 2.512 -11.559 1.00 0.00 O ATOM 0 H GLU A 53 -7.846 3.337 -6.161 1.00 0.00 H new ATOM 0 HA GLU A 53 -10.290 3.521 -7.811 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -8.646 0.995 -7.480 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -10.086 1.208 -8.455 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -7.594 2.887 -8.934 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -7.775 1.302 -9.659 1.00 0.00 H new ATOM 827 N ASN A 54 -11.640 2.429 -6.039 1.00 0.00 N ATOM 828 CA ASN A 54 -12.452 2.016 -4.907 1.00 0.00 C ATOM 829 C ASN A 54 -12.483 0.488 -4.838 1.00 0.00 C ATOM 830 O ASN A 54 -12.632 -0.085 -3.760 1.00 0.00 O ATOM 831 CB ASN A 54 -13.892 2.512 -5.053 1.00 0.00 C ATOM 832 CG ASN A 54 -14.005 3.989 -4.672 1.00 0.00 C ATOM 833 OD1 ASN A 54 -13.857 4.881 -5.491 1.00 0.00 O ATOM 834 ND2 ASN A 54 -14.273 4.198 -3.386 1.00 0.00 N ATOM 0 H ASN A 54 -12.169 2.686 -6.873 1.00 0.00 H new ATOM 0 HA ASN A 54 -12.014 2.441 -4.004 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -14.226 2.371 -6.081 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -14.551 1.918 -4.420 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -14.366 5.150 -3.033 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -14.385 3.406 -2.753 1.00 0.00 H new ATOM 841 N GLU A 55 -12.340 -0.129 -6.002 1.00 0.00 N ATOM 842 CA GLU A 55 -12.350 -1.579 -6.087 1.00 0.00 C ATOM 843 C GLU A 55 -11.069 -2.080 -6.758 1.00 0.00 C ATOM 844 O GLU A 55 -10.538 -1.427 -7.654 1.00 0.00 O ATOM 845 CB GLU A 55 -13.590 -2.076 -6.833 1.00 0.00 C ATOM 846 CG GLU A 55 -14.870 -1.673 -6.098 1.00 0.00 C ATOM 847 CD GLU A 55 -16.070 -1.671 -7.048 1.00 0.00 C ATOM 848 OE1 GLU A 55 -15.997 -0.931 -8.053 1.00 0.00 O ATOM 849 OE2 GLU A 55 -17.033 -2.409 -6.748 1.00 0.00 O ATOM 0 H GLU A 55 -12.217 0.349 -6.894 1.00 0.00 H new ATOM 0 HA GLU A 55 -12.389 -1.983 -5.075 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -13.601 -1.664 -7.842 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -13.549 -3.161 -6.932 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -15.054 -2.364 -5.275 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -14.746 -0.682 -5.661 1.00 0.00 H new ATOM 856 N LEU A 56 -10.611 -3.235 -6.298 1.00 0.00 N ATOM 857 CA LEU A 56 -9.403 -3.831 -6.842 1.00 0.00 C ATOM 858 C LEU A 56 -9.627 -4.172 -8.317 1.00 0.00 C ATOM 859 O LEU A 56 -10.732 -4.542 -8.711 1.00 0.00 O ATOM 860 CB LEU A 56 -8.967 -5.027 -5.994 1.00 0.00 C ATOM 861 CG LEU A 56 -7.838 -5.883 -6.572 1.00 0.00 C ATOM 862 CD1 LEU A 56 -6.506 -5.131 -6.538 1.00 0.00 C ATOM 863 CD2 LEU A 56 -7.752 -7.233 -5.857 1.00 0.00 C ATOM 0 H LEU A 56 -11.055 -3.774 -5.554 1.00 0.00 H new ATOM 0 HA LEU A 56 -8.576 -3.122 -6.800 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -8.654 -4.659 -5.017 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -9.834 -5.667 -5.831 1.00 0.00 H new ATOM 0 HG LEU A 56 -8.066 -6.086 -7.618 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -5.721 -5.762 -6.955 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -6.588 -4.218 -7.128 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -6.258 -4.876 -5.508 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -6.942 -7.822 -6.287 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -7.560 -7.071 -4.796 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -8.693 -7.769 -5.977 1.00 0.00 H new ATOM 875 N SER A 57 -8.561 -4.034 -9.092 1.00 0.00 N ATOM 876 CA SER A 57 -8.628 -4.323 -10.514 1.00 0.00 C ATOM 877 C SER A 57 -7.257 -4.775 -11.021 1.00 0.00 C ATOM 878 O SER A 57 -6.280 -4.762 -10.274 1.00 0.00 O ATOM 879 CB SER A 57 -9.110 -3.103 -11.302 1.00 0.00 C ATOM 880 OG SER A 57 -10.511 -3.151 -11.556 1.00 0.00 O ATOM 0 H SER A 57 -7.646 -3.726 -8.762 1.00 0.00 H new ATOM 0 HA SER A 57 -9.348 -5.127 -10.666 1.00 0.00 H new ATOM 0 HB2 SER A 57 -8.873 -2.196 -10.746 1.00 0.00 H new ATOM 0 HB3 SER A 57 -8.572 -3.047 -12.248 1.00 0.00 H new ATOM 0 HG SER A 57 -10.965 -3.586 -10.804 1.00 0.00 H new ATOM 886 N ASP A 58 -7.229 -5.164 -12.287 1.00 0.00 N ATOM 887 CA ASP A 58 -5.994 -5.619 -12.903 1.00 0.00 C ATOM 888 C ASP A 58 -5.111 -4.410 -13.220 1.00 0.00 C ATOM 889 O ASP A 58 -3.992 -4.565 -13.707 1.00 0.00 O ATOM 890 CB ASP A 58 -6.271 -6.359 -14.213 1.00 0.00 C ATOM 891 CG ASP A 58 -6.815 -5.486 -15.346 1.00 0.00 C ATOM 892 OD1 ASP A 58 -5.977 -4.881 -16.049 1.00 0.00 O ATOM 893 OD2 ASP A 58 -8.057 -5.443 -15.483 1.00 0.00 O ATOM 0 H ASP A 58 -8.042 -5.174 -12.903 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.499 -6.295 -12.205 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.347 -6.830 -14.549 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -6.984 -7.160 -14.017 1.00 0.00 H new ATOM 898 N SER A 59 -5.649 -3.234 -12.932 1.00 0.00 N ATOM 899 CA SER A 59 -4.924 -1.999 -13.180 1.00 0.00 C ATOM 900 C SER A 59 -4.148 -1.587 -11.928 1.00 0.00 C ATOM 901 O SER A 59 -3.201 -0.806 -12.009 1.00 0.00 O ATOM 902 CB SER A 59 -5.875 -0.880 -13.608 1.00 0.00 C ATOM 903 OG SER A 59 -6.569 -1.199 -14.811 1.00 0.00 O ATOM 0 H SER A 59 -6.578 -3.110 -12.529 1.00 0.00 H new ATOM 0 HA SER A 59 -4.220 -2.173 -13.994 1.00 0.00 H new ATOM 0 HB2 SER A 59 -6.596 -0.693 -12.812 1.00 0.00 H new ATOM 0 HB3 SER A 59 -5.310 0.041 -13.749 1.00 0.00 H new ATOM 0 HG SER A 59 -7.167 -0.460 -15.049 1.00 0.00 H new ATOM 909 N VAL A 60 -4.579 -2.129 -10.798 1.00 0.00 N ATOM 910 CA VAL A 60 -3.936 -1.827 -9.530 1.00 0.00 C ATOM 911 C VAL A 60 -2.459 -2.218 -9.606 1.00 0.00 C ATOM 912 O VAL A 60 -2.129 -3.401 -9.683 1.00 0.00 O ATOM 913 CB VAL A 60 -4.681 -2.522 -8.388 1.00 0.00 C ATOM 914 CG1 VAL A 60 -3.867 -2.471 -7.093 1.00 0.00 C ATOM 915 CG2 VAL A 60 -6.069 -1.912 -8.188 1.00 0.00 C ATOM 0 H VAL A 60 -5.365 -2.775 -10.734 1.00 0.00 H new ATOM 0 HA VAL A 60 -3.978 -0.757 -9.325 1.00 0.00 H new ATOM 0 HB VAL A 60 -4.812 -3.569 -8.661 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.418 -2.972 -6.297 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -2.911 -2.973 -7.244 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.691 -1.432 -6.815 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -6.577 -2.424 -7.371 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -5.970 -0.854 -7.947 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.651 -2.023 -9.103 1.00 0.00 H new ATOM 925 N THR A 61 -1.609 -1.202 -9.581 1.00 0.00 N ATOM 926 CA THR A 61 -0.175 -1.425 -9.647 1.00 0.00 C ATOM 927 C THR A 61 0.454 -1.264 -8.261 1.00 0.00 C ATOM 928 O THR A 61 1.517 -1.818 -7.989 1.00 0.00 O ATOM 929 CB THR A 61 0.405 -0.470 -10.691 1.00 0.00 C ATOM 930 OG1 THR A 61 -0.083 0.811 -10.300 1.00 0.00 O ATOM 931 CG2 THR A 61 -0.195 -0.688 -12.082 1.00 0.00 C ATOM 0 H THR A 61 -1.886 -0.222 -9.516 1.00 0.00 H new ATOM 0 HA THR A 61 0.052 -2.445 -9.957 1.00 0.00 H new ATOM 0 HB THR A 61 1.486 -0.598 -10.738 1.00 0.00 H new ATOM 0 HG1 THR A 61 0.426 1.133 -9.527 1.00 0.00 H new ATOM 0 HG21 THR A 61 0.251 0.015 -12.785 1.00 0.00 H new ATOM 0 HG22 THR A 61 0.008 -1.707 -12.410 1.00 0.00 H new ATOM 0 HG23 THR A 61 -1.272 -0.528 -12.043 1.00 0.00 H new ATOM 939 N HIS A 62 -0.231 -0.501 -7.421 1.00 0.00 N ATOM 940 CA HIS A 62 0.246 -0.260 -6.070 1.00 0.00 C ATOM 941 C HIS A 62 -0.906 -0.438 -5.079 1.00 0.00 C ATOM 942 O HIS A 62 -1.974 0.148 -5.252 1.00 0.00 O ATOM 943 CB HIS A 62 0.911 1.114 -5.966 1.00 0.00 C ATOM 944 CG HIS A 62 1.891 1.408 -7.077 1.00 0.00 C ATOM 945 ND1 HIS A 62 1.519 2.017 -8.263 1.00 0.00 N ATOM 946 CD2 HIS A 62 3.231 1.172 -7.169 1.00 0.00 C ATOM 947 CE1 HIS A 62 2.595 2.136 -9.027 1.00 0.00 C ATOM 948 NE2 HIS A 62 3.654 1.611 -8.348 1.00 0.00 N ATOM 0 H HIS A 62 -1.112 -0.042 -7.650 1.00 0.00 H new ATOM 0 HA HIS A 62 1.014 -0.991 -5.816 1.00 0.00 H new ATOM 0 HB2 HIS A 62 0.137 1.882 -5.965 1.00 0.00 H new ATOM 0 HB3 HIS A 62 1.430 1.184 -5.010 1.00 0.00 H new ATOM 0 HD2 HIS A 62 3.844 0.707 -6.411 1.00 0.00 H new ATOM 0 HE1 HIS A 62 2.627 2.572 -10.014 1.00 0.00 H new ATOM 0 HE2 HIS A 62 4.614 1.563 -8.690 1.00 0.00 H new ATOM 956 N ILE A 63 -0.650 -1.248 -4.063 1.00 0.00 N ATOM 957 CA ILE A 63 -1.652 -1.511 -3.044 1.00 0.00 C ATOM 958 C ILE A 63 -1.168 -0.954 -1.704 1.00 0.00 C ATOM 959 O ILE A 63 -0.108 -1.340 -1.214 1.00 0.00 O ATOM 960 CB ILE A 63 -1.997 -3.001 -3.003 1.00 0.00 C ATOM 961 CG1 ILE A 63 -2.842 -3.402 -4.214 1.00 0.00 C ATOM 962 CG2 ILE A 63 -2.675 -3.370 -1.682 1.00 0.00 C ATOM 963 CD1 ILE A 63 -2.992 -4.922 -4.298 1.00 0.00 C ATOM 0 H ILE A 63 0.237 -1.731 -3.923 1.00 0.00 H new ATOM 0 HA ILE A 63 -2.584 -0.999 -3.285 1.00 0.00 H new ATOM 0 HB ILE A 63 -1.068 -3.569 -3.058 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -3.826 -2.939 -4.145 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -2.377 -3.028 -5.126 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -2.910 -4.434 -1.678 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -2.004 -3.144 -0.853 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -3.595 -2.795 -1.572 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.597 -5.180 -5.167 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -2.007 -5.380 -4.392 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -3.479 -5.290 -3.395 1.00 0.00 H new ATOM 975 N VAL A 64 -1.969 -0.057 -1.148 1.00 0.00 N ATOM 976 CA VAL A 64 -1.636 0.557 0.126 1.00 0.00 C ATOM 977 C VAL A 64 -2.398 -0.156 1.245 1.00 0.00 C ATOM 978 O VAL A 64 -3.560 -0.522 1.074 1.00 0.00 O ATOM 979 CB VAL A 64 -1.918 2.060 0.073 1.00 0.00 C ATOM 980 CG1 VAL A 64 -1.603 2.724 1.415 1.00 0.00 C ATOM 981 CG2 VAL A 64 -1.140 2.724 -1.064 1.00 0.00 C ATOM 0 H VAL A 64 -2.848 0.259 -1.557 1.00 0.00 H new ATOM 0 HA VAL A 64 -0.572 0.448 0.336 1.00 0.00 H new ATOM 0 HB VAL A 64 -2.981 2.195 -0.126 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -1.812 3.792 1.351 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -2.221 2.280 2.195 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -0.551 2.574 1.657 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -1.358 3.792 -1.079 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -0.071 2.574 -0.910 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -1.435 2.280 -2.015 1.00 0.00 H new ATOM 991 N ALA A 65 -1.713 -0.331 2.366 1.00 0.00 N ATOM 992 CA ALA A 65 -2.311 -0.994 3.512 1.00 0.00 C ATOM 993 C ALA A 65 -1.783 -0.354 4.798 1.00 0.00 C ATOM 994 O ALA A 65 -0.661 0.149 4.830 1.00 0.00 O ATOM 995 CB ALA A 65 -2.019 -2.494 3.445 1.00 0.00 C ATOM 0 H ALA A 65 -0.750 -0.025 2.505 1.00 0.00 H new ATOM 0 HA ALA A 65 -3.394 -0.873 3.503 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -2.468 -2.991 4.305 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -2.440 -2.906 2.528 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -0.941 -2.656 3.454 1.00 0.00 H new ATOM 1001 N GLU A 66 -2.616 -0.394 5.827 1.00 0.00 N ATOM 1002 CA GLU A 66 -2.248 0.175 7.112 1.00 0.00 C ATOM 1003 C GLU A 66 -2.286 -0.900 8.199 1.00 0.00 C ATOM 1004 O GLU A 66 -3.360 -1.338 8.607 1.00 0.00 O ATOM 1005 CB GLU A 66 -3.157 1.352 7.472 1.00 0.00 C ATOM 1006 CG GLU A 66 -2.723 1.998 8.789 1.00 0.00 C ATOM 1007 CD GLU A 66 -3.932 2.520 9.568 1.00 0.00 C ATOM 1008 OE1 GLU A 66 -4.896 2.950 8.898 1.00 0.00 O ATOM 1009 OE2 GLU A 66 -3.865 2.478 10.815 1.00 0.00 O ATOM 0 H GLU A 66 -3.546 -0.812 5.797 1.00 0.00 H new ATOM 0 HA GLU A 66 -1.229 0.555 7.040 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -3.131 2.093 6.673 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -4.188 1.008 7.554 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -2.182 1.270 9.394 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -2.035 2.818 8.586 1.00 0.00 H new ATOM 1016 N ASN A 67 -1.099 -1.294 8.639 1.00 0.00 N ATOM 1017 CA ASN A 67 -0.984 -2.310 9.671 1.00 0.00 C ATOM 1018 C ASN A 67 -1.133 -3.695 9.038 1.00 0.00 C ATOM 1019 O ASN A 67 -1.786 -4.572 9.601 1.00 0.00 O ATOM 1020 CB ASN A 67 -2.081 -2.152 10.725 1.00 0.00 C ATOM 1021 CG ASN A 67 -2.318 -0.676 11.053 1.00 0.00 C ATOM 1022 OD1 ASN A 67 -1.401 0.124 11.130 1.00 0.00 O ATOM 1023 ND2 ASN A 67 -3.597 -0.362 11.241 1.00 0.00 N ATOM 0 H ASN A 67 -0.210 -0.928 8.300 1.00 0.00 H new ATOM 0 HA ASN A 67 -0.009 -2.198 10.145 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -3.006 -2.601 10.363 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -1.800 -2.689 11.631 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -3.859 0.598 11.465 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -4.316 -1.081 11.162 1.00 0.00 H new ATOM 1030 N ASN A 68 -0.516 -3.848 7.875 1.00 0.00 N ATOM 1031 CA ASN A 68 -0.572 -5.111 7.159 1.00 0.00 C ATOM 1032 C ASN A 68 0.789 -5.389 6.517 1.00 0.00 C ATOM 1033 O ASN A 68 1.475 -4.464 6.083 1.00 0.00 O ATOM 1034 CB ASN A 68 -1.620 -5.066 6.045 1.00 0.00 C ATOM 1035 CG ASN A 68 -3.034 -4.994 6.625 1.00 0.00 C ATOM 1036 OD1 ASN A 68 -3.827 -5.914 6.512 1.00 0.00 O ATOM 1037 ND2 ASN A 68 -3.304 -3.852 7.251 1.00 0.00 N ATOM 0 H ASN A 68 0.025 -3.118 7.411 1.00 0.00 H new ATOM 0 HA ASN A 68 -0.837 -5.892 7.872 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -1.440 -4.201 5.407 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -1.526 -5.951 5.416 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -4.221 -3.706 7.673 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -2.594 -3.122 7.309 1.00 0.00 H new ATOM 1044 N SER A 69 1.139 -6.666 6.477 1.00 0.00 N ATOM 1045 CA SER A 69 2.405 -7.077 5.895 1.00 0.00 C ATOM 1046 C SER A 69 2.200 -7.493 4.437 1.00 0.00 C ATOM 1047 O SER A 69 1.167 -8.063 4.089 1.00 0.00 O ATOM 1048 CB SER A 69 3.030 -8.224 6.691 1.00 0.00 C ATOM 1049 OG SER A 69 2.937 -8.011 8.097 1.00 0.00 O ATOM 0 H SER A 69 0.568 -7.430 6.838 1.00 0.00 H new ATOM 0 HA SER A 69 3.090 -6.230 5.932 1.00 0.00 H new ATOM 0 HB2 SER A 69 2.532 -9.158 6.432 1.00 0.00 H new ATOM 0 HB3 SER A 69 4.077 -8.332 6.409 1.00 0.00 H new ATOM 0 HG SER A 69 3.346 -8.766 8.570 1.00 0.00 H new ATOM 1055 N GLY A 70 3.202 -7.192 3.623 1.00 0.00 N ATOM 1056 CA GLY A 70 3.145 -7.527 2.210 1.00 0.00 C ATOM 1057 C GLY A 70 2.459 -8.878 1.995 1.00 0.00 C ATOM 1058 O GLY A 70 1.756 -9.070 1.004 1.00 0.00 O ATOM 0 H GLY A 70 4.058 -6.720 3.915 1.00 0.00 H new ATOM 0 HA2 GLY A 70 2.604 -6.750 1.670 1.00 0.00 H new ATOM 0 HA3 GLY A 70 4.154 -7.558 1.799 1.00 0.00 H new ATOM 1062 N SER A 71 2.686 -9.779 2.939 1.00 0.00 N ATOM 1063 CA SER A 71 2.099 -11.106 2.865 1.00 0.00 C ATOM 1064 C SER A 71 0.593 -11.027 3.125 1.00 0.00 C ATOM 1065 O SER A 71 -0.203 -11.539 2.339 1.00 0.00 O ATOM 1066 CB SER A 71 2.760 -12.057 3.864 1.00 0.00 C ATOM 1067 OG SER A 71 2.344 -11.801 5.202 1.00 0.00 O ATOM 0 H SER A 71 3.269 -9.616 3.760 1.00 0.00 H new ATOM 0 HA SER A 71 2.269 -11.500 1.863 1.00 0.00 H new ATOM 0 HB2 SER A 71 2.517 -13.086 3.600 1.00 0.00 H new ATOM 0 HB3 SER A 71 3.843 -11.958 3.796 1.00 0.00 H new ATOM 0 HG SER A 71 2.787 -12.430 5.808 1.00 0.00 H new ATOM 1073 N ASP A 72 0.248 -10.381 4.229 1.00 0.00 N ATOM 1074 CA ASP A 72 -1.148 -10.228 4.601 1.00 0.00 C ATOM 1075 C ASP A 72 -1.942 -9.729 3.393 1.00 0.00 C ATOM 1076 O ASP A 72 -3.036 -10.219 3.119 1.00 0.00 O ATOM 1077 CB ASP A 72 -1.308 -9.206 5.728 1.00 0.00 C ATOM 1078 CG ASP A 72 -1.201 -9.780 7.142 1.00 0.00 C ATOM 1079 OD1 ASP A 72 -0.685 -10.912 7.258 1.00 0.00 O ATOM 1080 OD2 ASP A 72 -1.638 -9.073 8.076 1.00 0.00 O ATOM 0 H ASP A 72 0.911 -9.958 4.878 1.00 0.00 H new ATOM 0 HA ASP A 72 -1.516 -11.197 4.938 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -0.549 -8.433 5.608 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -2.278 -8.720 5.622 1.00 0.00 H new ATOM 1085 N VAL A 73 -1.360 -8.759 2.702 1.00 0.00 N ATOM 1086 CA VAL A 73 -2.000 -8.188 1.530 1.00 0.00 C ATOM 1087 C VAL A 73 -2.115 -9.259 0.444 1.00 0.00 C ATOM 1088 O VAL A 73 -3.165 -9.407 -0.179 1.00 0.00 O ATOM 1089 CB VAL A 73 -1.232 -6.948 1.067 1.00 0.00 C ATOM 1090 CG1 VAL A 73 -1.834 -6.379 -0.220 1.00 0.00 C ATOM 1091 CG2 VAL A 73 -1.190 -5.886 2.168 1.00 0.00 C ATOM 0 H VAL A 73 -0.452 -8.355 2.932 1.00 0.00 H new ATOM 0 HA VAL A 73 -3.011 -7.858 1.770 1.00 0.00 H new ATOM 0 HB VAL A 73 -0.207 -7.250 0.853 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -1.270 -5.499 -0.527 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -1.789 -7.132 -1.007 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -2.873 -6.101 -0.044 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -0.638 -5.015 1.813 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -2.207 -5.590 2.427 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -0.695 -6.295 3.049 1.00 0.00 H new ATOM 1101 N LEU A 74 -1.020 -9.980 0.250 1.00 0.00 N ATOM 1102 CA LEU A 74 -0.985 -11.034 -0.750 1.00 0.00 C ATOM 1103 C LEU A 74 -2.136 -12.009 -0.497 1.00 0.00 C ATOM 1104 O LEU A 74 -3.012 -12.174 -1.345 1.00 0.00 O ATOM 1105 CB LEU A 74 0.392 -11.700 -0.777 1.00 0.00 C ATOM 1106 CG LEU A 74 1.386 -11.145 -1.799 1.00 0.00 C ATOM 1107 CD1 LEU A 74 2.805 -11.638 -1.507 1.00 0.00 C ATOM 1108 CD2 LEU A 74 0.947 -11.474 -3.227 1.00 0.00 C ATOM 0 H LEU A 74 -0.151 -9.855 0.768 1.00 0.00 H new ATOM 0 HA LEU A 74 -1.132 -10.619 -1.747 1.00 0.00 H new ATOM 0 HB2 LEU A 74 0.835 -11.613 0.215 1.00 0.00 H new ATOM 0 HB3 LEU A 74 0.255 -12.763 -0.973 1.00 0.00 H new ATOM 0 HG LEU A 74 1.397 -10.059 -1.709 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.492 -11.229 -2.248 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.107 -11.310 -0.512 1.00 0.00 H new ATOM 0 HD13 LEU A 74 2.828 -12.727 -1.552 1.00 0.00 H new ATOM 0 HD21 LEU A 74 1.671 -11.068 -3.933 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.888 -12.555 -3.349 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -0.032 -11.033 -3.417 1.00 0.00 H new ATOM 1120 N GLU A 75 -2.097 -12.630 0.673 1.00 0.00 N ATOM 1121 CA GLU A 75 -3.126 -13.585 1.048 1.00 0.00 C ATOM 1122 C GLU A 75 -4.512 -13.032 0.709 1.00 0.00 C ATOM 1123 O GLU A 75 -5.391 -13.775 0.276 1.00 0.00 O ATOM 1124 CB GLU A 75 -3.026 -13.944 2.532 1.00 0.00 C ATOM 1125 CG GLU A 75 -1.669 -14.574 2.853 1.00 0.00 C ATOM 1126 CD GLU A 75 -1.842 -15.890 3.614 1.00 0.00 C ATOM 1127 OE1 GLU A 75 -1.953 -15.816 4.857 1.00 0.00 O ATOM 1128 OE2 GLU A 75 -1.859 -16.940 2.936 1.00 0.00 O ATOM 0 H GLU A 75 -1.369 -12.490 1.374 1.00 0.00 H new ATOM 0 HA GLU A 75 -2.972 -14.500 0.476 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -3.167 -13.048 3.137 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -3.825 -14.637 2.797 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -1.120 -14.754 1.929 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -1.074 -13.881 3.448 1.00 0.00 H new ATOM 1135 N TRP A 76 -4.663 -11.733 0.920 1.00 0.00 N ATOM 1136 CA TRP A 76 -5.927 -11.072 0.643 1.00 0.00 C ATOM 1137 C TRP A 76 -6.128 -11.054 -0.874 1.00 0.00 C ATOM 1138 O TRP A 76 -7.195 -11.417 -1.366 1.00 0.00 O ATOM 1139 CB TRP A 76 -5.965 -9.677 1.268 1.00 0.00 C ATOM 1140 CG TRP A 76 -7.146 -8.820 0.808 1.00 0.00 C ATOM 1141 CD1 TRP A 76 -8.317 -8.627 1.430 1.00 0.00 C ATOM 1142 CD2 TRP A 76 -7.223 -8.043 -0.406 1.00 0.00 C ATOM 1143 NE1 TRP A 76 -9.140 -7.787 0.709 1.00 0.00 N ATOM 1144 CE2 TRP A 76 -8.454 -7.420 -0.443 1.00 0.00 C ATOM 1145 CE3 TRP A 76 -6.284 -7.873 -1.438 1.00 0.00 C ATOM 1146 CZ2 TRP A 76 -8.858 -6.584 -1.491 1.00 0.00 C ATOM 1147 CZ3 TRP A 76 -6.704 -7.035 -2.478 1.00 0.00 C ATOM 1148 CH2 TRP A 76 -7.939 -6.400 -2.531 1.00 0.00 C ATOM 0 H TRP A 76 -3.931 -11.120 1.280 1.00 0.00 H new ATOM 0 HA TRP A 76 -6.755 -11.616 1.098 1.00 0.00 H new ATOM 0 HB2 TRP A 76 -6.003 -9.777 2.353 1.00 0.00 H new ATOM 0 HB3 TRP A 76 -5.037 -9.157 1.028 1.00 0.00 H new ATOM 0 HD1 TRP A 76 -8.583 -9.073 2.377 1.00 0.00 H new ATOM 0 HE1 TRP A 76 -10.079 -7.490 0.973 1.00 0.00 H new ATOM 0 HE3 TRP A 76 -5.315 -8.351 -1.429 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 -9.827 -6.107 -1.497 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 -6.020 -6.870 -3.297 1.00 0.00 H new ATOM 0 HH2 TRP A 76 -8.189 -5.768 -3.370 1.00 0.00 H new ATOM 1159 N LEU A 77 -5.086 -10.626 -1.571 1.00 0.00 N ATOM 1160 CA LEU A 77 -5.135 -10.555 -3.022 1.00 0.00 C ATOM 1161 C LEU A 77 -5.626 -11.893 -3.577 1.00 0.00 C ATOM 1162 O LEU A 77 -6.610 -11.940 -4.314 1.00 0.00 O ATOM 1163 CB LEU A 77 -3.780 -10.117 -3.583 1.00 0.00 C ATOM 1164 CG LEU A 77 -3.608 -8.616 -3.823 1.00 0.00 C ATOM 1165 CD1 LEU A 77 -2.335 -8.096 -3.153 1.00 0.00 C ATOM 1166 CD2 LEU A 77 -3.642 -8.293 -5.318 1.00 0.00 C ATOM 0 H LEU A 77 -4.203 -10.325 -1.159 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.848 -9.795 -3.342 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -3.001 -10.447 -2.896 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.614 -10.637 -4.526 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.449 -8.098 -3.362 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -2.237 -7.027 -3.339 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -2.390 -8.274 -2.079 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.469 -8.617 -3.563 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -3.518 -7.220 -5.461 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.834 -8.823 -5.823 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -4.599 -8.606 -5.736 1.00 0.00 H new ATOM 1178 N GLN A 78 -4.919 -12.949 -3.203 1.00 0.00 N ATOM 1179 CA GLN A 78 -5.271 -14.285 -3.654 1.00 0.00 C ATOM 1180 C GLN A 78 -6.737 -14.583 -3.335 1.00 0.00 C ATOM 1181 O GLN A 78 -7.397 -15.322 -4.065 1.00 0.00 O ATOM 1182 CB GLN A 78 -4.349 -15.335 -3.031 1.00 0.00 C ATOM 1183 CG GLN A 78 -2.889 -15.076 -3.407 1.00 0.00 C ATOM 1184 CD GLN A 78 -2.072 -16.368 -3.355 1.00 0.00 C ATOM 1185 OE1 GLN A 78 -2.337 -17.270 -2.577 1.00 0.00 O ATOM 1186 NE2 GLN A 78 -1.066 -16.407 -4.225 1.00 0.00 N ATOM 0 H GLN A 78 -4.103 -12.907 -2.592 1.00 0.00 H new ATOM 0 HA GLN A 78 -5.138 -14.330 -4.735 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -4.457 -15.321 -1.946 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -4.644 -16.329 -3.368 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -2.838 -14.649 -4.409 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -2.459 -14.342 -2.726 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -0.900 -15.617 -4.848 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -0.461 -17.227 -4.269 1.00 0.00 H new ATOM 1195 N ALA A 79 -7.205 -13.993 -2.245 1.00 0.00 N ATOM 1196 CA ALA A 79 -8.581 -14.187 -1.821 1.00 0.00 C ATOM 1197 C ALA A 79 -9.516 -13.464 -2.792 1.00 0.00 C ATOM 1198 O ALA A 79 -10.652 -13.888 -2.997 1.00 0.00 O ATOM 1199 CB ALA A 79 -8.745 -13.698 -0.380 1.00 0.00 C ATOM 0 H ALA A 79 -6.656 -13.380 -1.643 1.00 0.00 H new ATOM 0 HA ALA A 79 -8.842 -15.245 -1.838 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -9.777 -13.843 -0.062 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -8.081 -14.263 0.274 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -8.494 -12.639 -0.324 1.00 0.00 H new ATOM 1205 N GLN A 80 -9.003 -12.384 -3.363 1.00 0.00 N ATOM 1206 CA GLN A 80 -9.778 -11.597 -4.308 1.00 0.00 C ATOM 1207 C GLN A 80 -10.053 -12.410 -5.575 1.00 0.00 C ATOM 1208 O GLN A 80 -9.205 -13.185 -6.016 1.00 0.00 O ATOM 1209 CB GLN A 80 -9.068 -10.284 -4.641 1.00 0.00 C ATOM 1210 CG GLN A 80 -8.845 -9.446 -3.381 1.00 0.00 C ATOM 1211 CD GLN A 80 -10.171 -9.157 -2.674 1.00 0.00 C ATOM 1212 OE1 GLN A 80 -11.054 -8.500 -3.200 1.00 0.00 O ATOM 1213 NE2 GLN A 80 -10.259 -9.682 -1.455 1.00 0.00 N ATOM 0 H GLN A 80 -8.060 -12.035 -3.190 1.00 0.00 H new ATOM 0 HA GLN A 80 -10.733 -11.347 -3.846 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -8.110 -10.495 -5.116 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -9.662 -9.717 -5.358 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -8.174 -9.974 -2.703 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -8.357 -8.508 -3.645 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -9.482 -10.222 -1.075 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -11.104 -9.545 -0.900 1.00 0.00 H new ATOM 1222 N LYS A 81 -11.241 -12.204 -6.125 1.00 0.00 N ATOM 1223 CA LYS A 81 -11.637 -12.908 -7.333 1.00 0.00 C ATOM 1224 C LYS A 81 -11.225 -12.086 -8.556 1.00 0.00 C ATOM 1225 O LYS A 81 -11.686 -12.344 -9.667 1.00 0.00 O ATOM 1226 CB LYS A 81 -13.130 -13.243 -7.292 1.00 0.00 C ATOM 1227 CG LYS A 81 -13.611 -13.767 -8.647 1.00 0.00 C ATOM 1228 CD LYS A 81 -14.846 -14.656 -8.483 1.00 0.00 C ATOM 1229 CE LYS A 81 -16.131 -13.829 -8.559 1.00 0.00 C ATOM 1230 NZ LYS A 81 -16.789 -13.772 -7.234 1.00 0.00 N ATOM 0 H LYS A 81 -11.941 -11.560 -5.757 1.00 0.00 H new ATOM 0 HA LYS A 81 -11.120 -13.865 -7.403 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -13.318 -13.991 -6.521 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -13.699 -12.354 -7.019 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -13.846 -12.929 -9.303 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -12.812 -14.333 -9.127 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -14.854 -15.420 -9.261 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -14.800 -15.176 -7.526 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -15.902 -12.820 -8.902 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -16.810 -14.267 -9.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -17.660 -13.207 -7.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -17.025 -14.736 -6.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -16.145 -13.333 -6.545 1.00 0.00 H new ATOM 1244 N VAL A 82 -10.362 -11.111 -8.310 1.00 0.00 N ATOM 1245 CA VAL A 82 -9.882 -10.250 -9.378 1.00 0.00 C ATOM 1246 C VAL A 82 -8.550 -10.788 -9.903 1.00 0.00 C ATOM 1247 O VAL A 82 -7.774 -11.376 -9.151 1.00 0.00 O ATOM 1248 CB VAL A 82 -9.789 -8.805 -8.882 1.00 0.00 C ATOM 1249 CG1 VAL A 82 -9.073 -7.920 -9.904 1.00 0.00 C ATOM 1250 CG2 VAL A 82 -11.175 -8.249 -8.549 1.00 0.00 C ATOM 0 H VAL A 82 -9.983 -10.898 -7.387 1.00 0.00 H new ATOM 0 HA VAL A 82 -10.583 -10.250 -10.212 1.00 0.00 H new ATOM 0 HB VAL A 82 -9.199 -8.802 -7.966 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -9.020 -6.899 -9.527 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -8.064 -8.298 -10.069 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -9.624 -7.932 -10.845 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -11.080 -7.221 -8.199 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -11.800 -8.272 -9.441 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -11.633 -8.857 -7.769 1.00 0.00 H new ATOM 1260 N GLN A 83 -8.326 -10.569 -11.190 1.00 0.00 N ATOM 1261 CA GLN A 83 -7.101 -11.025 -11.825 1.00 0.00 C ATOM 1262 C GLN A 83 -6.188 -9.837 -12.132 1.00 0.00 C ATOM 1263 O GLN A 83 -6.652 -8.795 -12.593 1.00 0.00 O ATOM 1264 CB GLN A 83 -7.406 -11.824 -13.093 1.00 0.00 C ATOM 1265 CG GLN A 83 -8.171 -13.107 -12.763 1.00 0.00 C ATOM 1266 CD GLN A 83 -9.180 -13.442 -13.863 1.00 0.00 C ATOM 1267 OE1 GLN A 83 -8.830 -13.784 -14.980 1.00 0.00 O ATOM 1268 NE2 GLN A 83 -10.450 -13.327 -13.485 1.00 0.00 N ATOM 0 H GLN A 83 -8.972 -10.082 -11.811 1.00 0.00 H new ATOM 0 HA GLN A 83 -6.581 -11.688 -11.133 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -7.992 -11.213 -13.779 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -6.475 -12.072 -13.603 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -7.469 -13.933 -12.644 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -8.690 -12.991 -11.812 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -10.675 -13.036 -12.534 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -11.199 -13.530 -14.146 1.00 0.00 H new ATOM 1277 N VAL A 84 -4.905 -10.032 -11.863 1.00 0.00 N ATOM 1278 CA VAL A 84 -3.922 -8.990 -12.105 1.00 0.00 C ATOM 1279 C VAL A 84 -2.889 -9.493 -13.115 1.00 0.00 C ATOM 1280 O VAL A 84 -2.440 -10.635 -13.032 1.00 0.00 O ATOM 1281 CB VAL A 84 -3.297 -8.543 -10.782 1.00 0.00 C ATOM 1282 CG1 VAL A 84 -4.016 -7.313 -10.224 1.00 0.00 C ATOM 1283 CG2 VAL A 84 -3.294 -9.685 -9.764 1.00 0.00 C ATOM 0 H VAL A 84 -4.524 -10.897 -11.480 1.00 0.00 H new ATOM 0 HA VAL A 84 -4.397 -8.110 -12.538 1.00 0.00 H new ATOM 0 HB VAL A 84 -2.261 -8.266 -10.977 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -3.552 -7.016 -9.283 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -3.943 -6.494 -10.939 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -5.065 -7.552 -10.051 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -2.844 -9.341 -8.833 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -4.318 -10.007 -9.575 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -2.717 -10.522 -10.158 1.00 0.00 H new ATOM 1293 N SER A 85 -2.541 -8.616 -14.045 1.00 0.00 N ATOM 1294 CA SER A 85 -1.568 -8.957 -15.069 1.00 0.00 C ATOM 1295 C SER A 85 -0.162 -8.984 -14.467 1.00 0.00 C ATOM 1296 O SER A 85 0.728 -9.653 -14.990 1.00 0.00 O ATOM 1297 CB SER A 85 -1.628 -7.968 -16.236 1.00 0.00 C ATOM 1298 OG SER A 85 -2.353 -8.494 -17.344 1.00 0.00 O ATOM 0 H SER A 85 -2.916 -7.670 -14.111 1.00 0.00 H new ATOM 0 HA SER A 85 -1.809 -9.948 -15.455 1.00 0.00 H new ATOM 0 HB2 SER A 85 -2.096 -7.042 -15.903 1.00 0.00 H new ATOM 0 HB3 SER A 85 -0.615 -7.717 -16.551 1.00 0.00 H new ATOM 0 HG SER A 85 -2.370 -7.833 -18.067 1.00 0.00 H new ATOM 1304 N SER A 86 -0.006 -8.248 -13.376 1.00 0.00 N ATOM 1305 CA SER A 86 1.278 -8.180 -12.698 1.00 0.00 C ATOM 1306 C SER A 86 1.073 -7.812 -11.227 1.00 0.00 C ATOM 1307 O SER A 86 0.394 -6.834 -10.916 1.00 0.00 O ATOM 1308 CB SER A 86 2.204 -7.167 -13.374 1.00 0.00 C ATOM 1309 OG SER A 86 3.474 -7.094 -12.731 1.00 0.00 O ATOM 0 H SER A 86 -0.746 -7.694 -12.945 1.00 0.00 H new ATOM 0 HA SER A 86 1.750 -9.161 -12.759 1.00 0.00 H new ATOM 0 HB2 SER A 86 2.342 -7.443 -14.419 1.00 0.00 H new ATOM 0 HB3 SER A 86 1.735 -6.183 -13.363 1.00 0.00 H new ATOM 0 HG SER A 86 4.037 -6.438 -13.193 1.00 0.00 H new ATOM 1315 N GLN A 87 1.672 -8.616 -10.360 1.00 0.00 N ATOM 1316 CA GLN A 87 1.564 -8.387 -8.930 1.00 0.00 C ATOM 1317 C GLN A 87 1.795 -6.909 -8.609 1.00 0.00 C ATOM 1318 O GLN A 87 2.810 -6.337 -9.003 1.00 0.00 O ATOM 1319 CB GLN A 87 2.541 -9.276 -8.157 1.00 0.00 C ATOM 1320 CG GLN A 87 1.832 -10.006 -7.015 1.00 0.00 C ATOM 1321 CD GLN A 87 2.547 -11.315 -6.673 1.00 0.00 C ATOM 1322 OE1 GLN A 87 3.700 -11.528 -7.010 1.00 0.00 O ATOM 1323 NE2 GLN A 87 1.801 -12.176 -5.988 1.00 0.00 N ATOM 0 H GLN A 87 2.233 -9.427 -10.621 1.00 0.00 H new ATOM 0 HA GLN A 87 0.555 -8.653 -8.615 1.00 0.00 H new ATOM 0 HB2 GLN A 87 2.991 -10.002 -8.834 1.00 0.00 H new ATOM 0 HB3 GLN A 87 3.352 -8.668 -7.757 1.00 0.00 H new ATOM 0 HG2 GLN A 87 1.799 -9.365 -6.134 1.00 0.00 H new ATOM 0 HG3 GLN A 87 0.800 -10.214 -7.297 1.00 0.00 H new ATOM 0 HE21 GLN A 87 0.842 -11.934 -5.738 1.00 0.00 H new ATOM 0 HE22 GLN A 87 2.187 -13.079 -5.712 1.00 0.00 H new ATOM 1332 N PRO A 88 0.812 -6.319 -7.878 1.00 0.00 N ATOM 1333 CA PRO A 88 0.899 -4.918 -7.500 1.00 0.00 C ATOM 1334 C PRO A 88 1.909 -4.718 -6.368 1.00 0.00 C ATOM 1335 O PRO A 88 2.337 -5.682 -5.735 1.00 0.00 O ATOM 1336 CB PRO A 88 -0.517 -4.528 -7.109 1.00 0.00 C ATOM 1337 CG PRO A 88 -1.249 -5.832 -6.837 1.00 0.00 C ATOM 1338 CD PRO A 88 -0.404 -6.966 -7.394 1.00 0.00 C ATOM 0 HA PRO A 88 1.263 -4.285 -8.309 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -0.516 -3.889 -6.226 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -1.002 -3.967 -7.908 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -1.408 -5.964 -5.767 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -2.233 -5.823 -7.307 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -0.180 -7.707 -6.626 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -0.922 -7.488 -8.199 1.00 0.00 H new ATOM 1346 N GLU A 89 2.260 -3.459 -6.147 1.00 0.00 N ATOM 1347 CA GLU A 89 3.211 -3.120 -5.103 1.00 0.00 C ATOM 1348 C GLU A 89 2.516 -3.092 -3.740 1.00 0.00 C ATOM 1349 O GLU A 89 1.378 -2.637 -3.629 1.00 0.00 O ATOM 1350 CB GLU A 89 3.894 -1.783 -5.397 1.00 0.00 C ATOM 1351 CG GLU A 89 5.319 -1.997 -5.912 1.00 0.00 C ATOM 1352 CD GLU A 89 6.113 -2.902 -4.967 1.00 0.00 C ATOM 1353 OE1 GLU A 89 6.077 -2.622 -3.749 1.00 0.00 O ATOM 1354 OE2 GLU A 89 6.739 -3.852 -5.485 1.00 0.00 O ATOM 0 H GLU A 89 1.902 -2.662 -6.674 1.00 0.00 H new ATOM 0 HA GLU A 89 3.984 -3.888 -5.079 1.00 0.00 H new ATOM 0 HB2 GLU A 89 3.315 -1.230 -6.137 1.00 0.00 H new ATOM 0 HB3 GLU A 89 3.918 -1.176 -4.492 1.00 0.00 H new ATOM 0 HG2 GLU A 89 5.287 -2.442 -6.906 1.00 0.00 H new ATOM 0 HG3 GLU A 89 5.823 -1.035 -6.009 1.00 0.00 H new ATOM 1361 N LEU A 90 3.228 -3.585 -2.738 1.00 0.00 N ATOM 1362 CA LEU A 90 2.694 -3.623 -1.387 1.00 0.00 C ATOM 1363 C LEU A 90 3.469 -2.639 -0.509 1.00 0.00 C ATOM 1364 O LEU A 90 4.619 -2.893 -0.152 1.00 0.00 O ATOM 1365 CB LEU A 90 2.692 -5.056 -0.851 1.00 0.00 C ATOM 1366 CG LEU A 90 1.637 -5.992 -1.445 1.00 0.00 C ATOM 1367 CD1 LEU A 90 1.179 -5.501 -2.819 1.00 0.00 C ATOM 1368 CD2 LEU A 90 2.147 -7.434 -1.491 1.00 0.00 C ATOM 0 H LEU A 90 4.171 -3.962 -2.834 1.00 0.00 H new ATOM 0 HA LEU A 90 1.652 -3.304 -1.381 1.00 0.00 H new ATOM 0 HB2 LEU A 90 3.676 -5.491 -1.028 1.00 0.00 H new ATOM 0 HB3 LEU A 90 2.550 -5.019 0.229 1.00 0.00 H new ATOM 0 HG LEU A 90 0.764 -5.980 -0.793 1.00 0.00 H new ATOM 0 HD11 LEU A 90 0.429 -6.184 -3.218 1.00 0.00 H new ATOM 0 HD12 LEU A 90 0.748 -4.504 -2.724 1.00 0.00 H new ATOM 0 HD13 LEU A 90 2.033 -5.464 -3.495 1.00 0.00 H new ATOM 0 HD21 LEU A 90 1.378 -8.078 -1.917 1.00 0.00 H new ATOM 0 HD22 LEU A 90 3.044 -7.483 -2.108 1.00 0.00 H new ATOM 0 HD23 LEU A 90 2.382 -7.769 -0.481 1.00 0.00 H new ATOM 1380 N LEU A 91 2.810 -1.536 -0.186 1.00 0.00 N ATOM 1381 CA LEU A 91 3.423 -0.513 0.644 1.00 0.00 C ATOM 1382 C LEU A 91 2.431 -0.076 1.724 1.00 0.00 C ATOM 1383 O LEU A 91 1.220 -0.179 1.537 1.00 0.00 O ATOM 1384 CB LEU A 91 3.938 0.640 -0.220 1.00 0.00 C ATOM 1385 CG LEU A 91 4.252 0.297 -1.678 1.00 0.00 C ATOM 1386 CD1 LEU A 91 4.124 1.533 -2.571 1.00 0.00 C ATOM 1387 CD2 LEU A 91 5.627 -0.360 -1.803 1.00 0.00 C ATOM 0 H LEU A 91 1.857 -1.328 -0.484 1.00 0.00 H new ATOM 0 HA LEU A 91 4.298 -0.913 1.157 1.00 0.00 H new ATOM 0 HB2 LEU A 91 3.195 1.438 -0.207 1.00 0.00 H new ATOM 0 HB3 LEU A 91 4.842 1.038 0.242 1.00 0.00 H new ATOM 0 HG LEU A 91 3.516 -0.429 -2.024 1.00 0.00 H new ATOM 0 HD11 LEU A 91 4.352 1.262 -3.602 1.00 0.00 H new ATOM 0 HD12 LEU A 91 3.106 1.919 -2.514 1.00 0.00 H new ATOM 0 HD13 LEU A 91 4.822 2.299 -2.234 1.00 0.00 H new ATOM 0 HD21 LEU A 91 5.825 -0.593 -2.849 1.00 0.00 H new ATOM 0 HD22 LEU A 91 6.392 0.323 -1.433 1.00 0.00 H new ATOM 0 HD23 LEU A 91 5.646 -1.279 -1.216 1.00 0.00 H new ATOM 1399 N ASP A 92 2.982 0.401 2.830 1.00 0.00 N ATOM 1400 CA ASP A 92 2.161 0.854 3.940 1.00 0.00 C ATOM 1401 C ASP A 92 1.568 2.224 3.605 1.00 0.00 C ATOM 1402 O ASP A 92 1.998 2.874 2.653 1.00 0.00 O ATOM 1403 CB ASP A 92 2.992 0.998 5.217 1.00 0.00 C ATOM 1404 CG ASP A 92 2.221 0.771 6.519 1.00 0.00 C ATOM 1405 OD1 ASP A 92 1.297 -0.071 6.492 1.00 0.00 O ATOM 1406 OD2 ASP A 92 2.574 1.444 7.512 1.00 0.00 O ATOM 0 H ASP A 92 3.987 0.484 2.981 1.00 0.00 H new ATOM 0 HA ASP A 92 1.376 0.115 4.102 1.00 0.00 H new ATOM 0 HB2 ASP A 92 3.821 0.291 5.175 1.00 0.00 H new ATOM 0 HB3 ASP A 92 3.426 1.997 5.239 1.00 0.00 H new ATOM 1411 N VAL A 93 0.590 2.622 4.405 1.00 0.00 N ATOM 1412 CA VAL A 93 -0.066 3.903 4.205 1.00 0.00 C ATOM 1413 C VAL A 93 0.985 5.015 4.208 1.00 0.00 C ATOM 1414 O VAL A 93 0.728 6.118 3.727 1.00 0.00 O ATOM 1415 CB VAL A 93 -1.153 4.104 5.262 1.00 0.00 C ATOM 1416 CG1 VAL A 93 -0.580 3.959 6.673 1.00 0.00 C ATOM 1417 CG2 VAL A 93 -1.843 5.459 5.088 1.00 0.00 C ATOM 0 H VAL A 93 0.236 2.080 5.193 1.00 0.00 H new ATOM 0 HA VAL A 93 -0.565 3.930 3.236 1.00 0.00 H new ATOM 0 HB VAL A 93 -1.903 3.325 5.123 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -1.374 4.107 7.405 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -0.157 2.962 6.793 1.00 0.00 H new ATOM 0 HG13 VAL A 93 0.199 4.705 6.828 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -2.611 5.577 5.852 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -1.107 6.257 5.187 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -2.302 5.509 4.101 1.00 0.00 H new ATOM 1427 N SER A 94 2.145 4.687 4.756 1.00 0.00 N ATOM 1428 CA SER A 94 3.236 5.645 4.828 1.00 0.00 C ATOM 1429 C SER A 94 3.551 6.185 3.432 1.00 0.00 C ATOM 1430 O SER A 94 3.677 7.395 3.245 1.00 0.00 O ATOM 1431 CB SER A 94 4.484 5.013 5.447 1.00 0.00 C ATOM 1432 OG SER A 94 5.681 5.490 4.839 1.00 0.00 O ATOM 0 H SER A 94 2.354 3.772 5.155 1.00 0.00 H new ATOM 0 HA SER A 94 2.925 6.471 5.468 1.00 0.00 H new ATOM 0 HB2 SER A 94 4.508 5.230 6.515 1.00 0.00 H new ATOM 0 HB3 SER A 94 4.431 3.929 5.343 1.00 0.00 H new ATOM 0 HG SER A 94 6.455 5.064 5.263 1.00 0.00 H new ATOM 1438 N TRP A 95 3.670 5.263 2.488 1.00 0.00 N ATOM 1439 CA TRP A 95 3.968 5.632 1.115 1.00 0.00 C ATOM 1440 C TRP A 95 2.972 6.713 0.689 1.00 0.00 C ATOM 1441 O TRP A 95 3.364 7.840 0.389 1.00 0.00 O ATOM 1442 CB TRP A 95 3.946 4.406 0.201 1.00 0.00 C ATOM 1443 CG TRP A 95 4.377 4.694 -1.238 1.00 0.00 C ATOM 1444 CD1 TRP A 95 5.570 5.124 -1.671 1.00 0.00 C ATOM 1445 CD2 TRP A 95 3.566 4.555 -2.424 1.00 0.00 C ATOM 1446 NE1 TRP A 95 5.588 5.272 -3.043 1.00 0.00 N ATOM 1447 CE2 TRP A 95 4.330 4.914 -3.515 1.00 0.00 C ATOM 1448 CE3 TRP A 95 2.231 4.138 -2.569 1.00 0.00 C ATOM 1449 CZ2 TRP A 95 3.847 4.894 -4.829 1.00 0.00 C ATOM 1450 CZ3 TRP A 95 1.763 4.123 -3.889 1.00 0.00 C ATOM 1451 CH2 TRP A 95 2.520 4.482 -4.998 1.00 0.00 C ATOM 0 H TRP A 95 3.565 4.261 2.647 1.00 0.00 H new ATOM 0 HA TRP A 95 4.977 6.037 1.035 1.00 0.00 H new ATOM 0 HB2 TRP A 95 4.601 3.642 0.619 1.00 0.00 H new ATOM 0 HB3 TRP A 95 2.938 3.991 0.191 1.00 0.00 H new ATOM 0 HD1 TRP A 95 6.412 5.329 -1.027 1.00 0.00 H new ATOM 0 HE1 TRP A 95 6.378 5.586 -3.607 1.00 0.00 H new ATOM 0 HE3 TRP A 95 1.615 3.852 -1.729 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 4.465 5.181 -5.667 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 0.743 3.811 -4.057 1.00 0.00 H new ATOM 0 HH2 TRP A 95 2.086 4.443 -5.986 1.00 0.00 H new ATOM 1462 N LEU A 96 1.703 6.332 0.676 1.00 0.00 N ATOM 1463 CA LEU A 96 0.649 7.255 0.292 1.00 0.00 C ATOM 1464 C LEU A 96 0.897 8.611 0.955 1.00 0.00 C ATOM 1465 O LEU A 96 0.909 9.641 0.284 1.00 0.00 O ATOM 1466 CB LEU A 96 -0.725 6.659 0.605 1.00 0.00 C ATOM 1467 CG LEU A 96 -1.893 7.190 -0.229 1.00 0.00 C ATOM 1468 CD1 LEU A 96 -1.495 7.335 -1.699 1.00 0.00 C ATOM 1469 CD2 LEU A 96 -3.134 6.312 -0.055 1.00 0.00 C ATOM 0 H LEU A 96 1.381 5.397 0.925 1.00 0.00 H new ATOM 0 HA LEU A 96 0.661 7.420 -0.785 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -0.670 5.579 0.470 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -0.945 6.838 1.657 1.00 0.00 H new ATOM 0 HG LEU A 96 -2.149 8.185 0.135 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -2.343 7.714 -2.270 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -0.661 8.031 -1.783 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -1.198 6.363 -2.093 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -3.950 6.711 -0.658 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -2.908 5.295 -0.377 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -3.429 6.303 0.994 1.00 0.00 H new ATOM 1481 N ILE A 97 1.088 8.566 2.266 1.00 0.00 N ATOM 1482 CA ILE A 97 1.335 9.779 3.028 1.00 0.00 C ATOM 1483 C ILE A 97 2.414 10.606 2.326 1.00 0.00 C ATOM 1484 O ILE A 97 2.197 11.773 2.005 1.00 0.00 O ATOM 1485 CB ILE A 97 1.668 9.439 4.482 1.00 0.00 C ATOM 1486 CG1 ILE A 97 0.402 9.088 5.267 1.00 0.00 C ATOM 1487 CG2 ILE A 97 2.457 10.572 5.142 1.00 0.00 C ATOM 1488 CD1 ILE A 97 0.738 8.724 6.714 1.00 0.00 C ATOM 0 H ILE A 97 1.077 7.709 2.819 1.00 0.00 H new ATOM 0 HA ILE A 97 0.437 10.395 3.067 1.00 0.00 H new ATOM 0 HB ILE A 97 2.306 8.555 4.489 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -0.286 9.933 5.251 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -0.108 8.253 4.787 1.00 0.00 H new ATOM 0 HG21 ILE A 97 2.681 10.306 6.175 1.00 0.00 H new ATOM 0 HG22 ILE A 97 3.388 10.732 4.598 1.00 0.00 H new ATOM 0 HG23 ILE A 97 1.864 11.487 5.124 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -0.179 8.479 7.250 1.00 0.00 H new ATOM 0 HD12 ILE A 97 1.407 7.863 6.727 1.00 0.00 H new ATOM 0 HD13 ILE A 97 1.226 9.570 7.198 1.00 0.00 H new ATOM 1500 N GLU A 98 3.555 9.968 2.109 1.00 0.00 N ATOM 1501 CA GLU A 98 4.669 10.630 1.451 1.00 0.00 C ATOM 1502 C GLU A 98 4.284 11.025 0.024 1.00 0.00 C ATOM 1503 O GLU A 98 4.478 12.170 -0.381 1.00 0.00 O ATOM 1504 CB GLU A 98 5.915 9.742 1.457 1.00 0.00 C ATOM 1505 CG GLU A 98 6.621 9.798 2.813 1.00 0.00 C ATOM 1506 CD GLU A 98 7.786 10.790 2.785 1.00 0.00 C ATOM 1507 OE1 GLU A 98 7.497 12.006 2.812 1.00 0.00 O ATOM 1508 OE2 GLU A 98 8.939 10.310 2.737 1.00 0.00 O ATOM 0 H GLU A 98 3.732 9.000 2.377 1.00 0.00 H new ATOM 0 HA GLU A 98 4.907 11.537 2.006 1.00 0.00 H new ATOM 0 HB2 GLU A 98 5.634 8.713 1.231 1.00 0.00 H new ATOM 0 HB3 GLU A 98 6.600 10.065 0.673 1.00 0.00 H new ATOM 0 HG2 GLU A 98 5.909 10.089 3.586 1.00 0.00 H new ATOM 0 HG3 GLU A 98 6.989 8.806 3.076 1.00 0.00 H new ATOM 1515 N CYS A 99 3.745 10.055 -0.700 1.00 0.00 N ATOM 1516 CA CYS A 99 3.331 10.287 -2.073 1.00 0.00 C ATOM 1517 C CYS A 99 2.408 11.506 -2.097 1.00 0.00 C ATOM 1518 O CYS A 99 2.426 12.285 -3.049 1.00 0.00 O ATOM 1519 CB CYS A 99 2.661 9.052 -2.678 1.00 0.00 C ATOM 1520 SG CYS A 99 3.683 7.567 -2.361 1.00 0.00 S ATOM 0 H CYS A 99 3.585 9.106 -0.361 1.00 0.00 H new ATOM 0 HA CYS A 99 4.207 10.484 -2.691 1.00 0.00 H new ATOM 0 HB2 CYS A 99 1.668 8.919 -2.248 1.00 0.00 H new ATOM 0 HB3 CYS A 99 2.527 9.189 -3.751 1.00 0.00 H new ATOM 0 HG CYS A 99 3.190 6.554 -3.010 1.00 0.00 H new ATOM 1526 N ILE A 100 1.622 11.635 -1.037 1.00 0.00 N ATOM 1527 CA ILE A 100 0.694 12.747 -0.925 1.00 0.00 C ATOM 1528 C ILE A 100 1.481 14.052 -0.794 1.00 0.00 C ATOM 1529 O ILE A 100 1.323 14.960 -1.609 1.00 0.00 O ATOM 1530 CB ILE A 100 -0.293 12.507 0.219 1.00 0.00 C ATOM 1531 CG1 ILE A 100 -1.339 11.459 -0.169 1.00 0.00 C ATOM 1532 CG2 ILE A 100 -0.937 13.819 0.672 1.00 0.00 C ATOM 1533 CD1 ILE A 100 -2.141 11.006 1.053 1.00 0.00 C ATOM 0 H ILE A 100 1.609 10.988 -0.249 1.00 0.00 H new ATOM 0 HA ILE A 100 0.088 12.830 -1.827 1.00 0.00 H new ATOM 0 HB ILE A 100 0.261 12.109 1.070 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -2.014 11.873 -0.918 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -0.847 10.600 -0.624 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -1.634 13.620 1.486 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -0.163 14.504 1.017 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -1.474 14.268 -0.164 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -2.877 10.262 0.750 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -1.466 10.570 1.790 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -2.652 11.863 1.491 1.00 0.00 H new ATOM 1545 N GLY A 101 2.311 14.105 0.237 1.00 0.00 N ATOM 1546 CA GLY A 101 3.123 15.284 0.484 1.00 0.00 C ATOM 1547 C GLY A 101 4.042 15.576 -0.704 1.00 0.00 C ATOM 1548 O GLY A 101 4.509 16.702 -0.870 1.00 0.00 O ATOM 0 H GLY A 101 2.439 13.350 0.911 1.00 0.00 H new ATOM 0 HA2 GLY A 101 2.477 16.143 0.668 1.00 0.00 H new ATOM 0 HA3 GLY A 101 3.721 15.136 1.383 1.00 0.00 H new ATOM 1552 N ALA A 102 4.274 14.543 -1.500 1.00 0.00 N ATOM 1553 CA ALA A 102 5.128 14.675 -2.668 1.00 0.00 C ATOM 1554 C ALA A 102 4.272 15.043 -3.882 1.00 0.00 C ATOM 1555 O ALA A 102 4.736 15.737 -4.785 1.00 0.00 O ATOM 1556 CB ALA A 102 5.910 13.377 -2.878 1.00 0.00 C ATOM 0 H ALA A 102 3.885 13.611 -1.359 1.00 0.00 H new ATOM 0 HA ALA A 102 5.855 15.474 -2.523 1.00 0.00 H new ATOM 0 HB1 ALA A 102 6.551 13.476 -3.754 1.00 0.00 H new ATOM 0 HB2 ALA A 102 6.524 13.176 -2.000 1.00 0.00 H new ATOM 0 HB3 ALA A 102 5.213 12.553 -3.029 1.00 0.00 H new ATOM 1562 N GLY A 103 3.038 14.562 -3.863 1.00 0.00 N ATOM 1563 CA GLY A 103 2.113 14.832 -4.951 1.00 0.00 C ATOM 1564 C GLY A 103 2.502 14.050 -6.208 1.00 0.00 C ATOM 1565 O GLY A 103 2.077 14.390 -7.311 1.00 0.00 O ATOM 0 H GLY A 103 2.657 13.987 -3.112 1.00 0.00 H new ATOM 0 HA2 GLY A 103 1.101 14.562 -4.649 1.00 0.00 H new ATOM 0 HA3 GLY A 103 2.105 15.900 -5.170 1.00 0.00 H new ATOM 1569 N LYS A 104 3.305 13.017 -5.999 1.00 0.00 N ATOM 1570 CA LYS A 104 3.756 12.185 -7.101 1.00 0.00 C ATOM 1571 C LYS A 104 4.075 10.783 -6.578 1.00 0.00 C ATOM 1572 O LYS A 104 3.937 10.515 -5.385 1.00 0.00 O ATOM 1573 CB LYS A 104 4.924 12.849 -7.832 1.00 0.00 C ATOM 1574 CG LYS A 104 6.260 12.468 -7.190 1.00 0.00 C ATOM 1575 CD LYS A 104 7.350 12.303 -8.251 1.00 0.00 C ATOM 1576 CE LYS A 104 8.698 12.812 -7.736 1.00 0.00 C ATOM 1577 NZ LYS A 104 9.762 11.818 -8.000 1.00 0.00 N ATOM 0 H LYS A 104 3.655 12.737 -5.083 1.00 0.00 H new ATOM 0 HA LYS A 104 2.966 12.077 -7.844 1.00 0.00 H new ATOM 0 HB2 LYS A 104 4.921 12.548 -8.880 1.00 0.00 H new ATOM 0 HB3 LYS A 104 4.802 13.932 -7.811 1.00 0.00 H new ATOM 0 HG2 LYS A 104 6.556 13.236 -6.475 1.00 0.00 H new ATOM 0 HG3 LYS A 104 6.147 11.539 -6.631 1.00 0.00 H new ATOM 0 HD2 LYS A 104 7.436 11.253 -8.529 1.00 0.00 H new ATOM 0 HD3 LYS A 104 7.071 12.849 -9.152 1.00 0.00 H new ATOM 0 HE2 LYS A 104 8.946 13.756 -8.220 1.00 0.00 H new ATOM 0 HE3 LYS A 104 8.634 13.010 -6.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 10.670 12.179 -7.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 9.531 10.926 -7.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 9.833 11.650 -9.024 1.00 0.00 H new ATOM 1591 N PRO A 105 4.508 9.903 -7.520 1.00 0.00 N ATOM 1592 CA PRO A 105 4.848 8.535 -7.167 1.00 0.00 C ATOM 1593 C PRO A 105 6.194 8.475 -6.442 1.00 0.00 C ATOM 1594 O PRO A 105 7.183 8.000 -7.000 1.00 0.00 O ATOM 1595 CB PRO A 105 4.847 7.776 -8.484 1.00 0.00 C ATOM 1596 CG PRO A 105 4.965 8.831 -9.572 1.00 0.00 C ATOM 1597 CD PRO A 105 4.684 10.185 -8.942 1.00 0.00 C ATOM 0 HA PRO A 105 4.139 8.092 -6.468 1.00 0.00 H new ATOM 0 HB2 PRO A 105 5.678 7.072 -8.530 1.00 0.00 H new ATOM 0 HB3 PRO A 105 3.932 7.196 -8.600 1.00 0.00 H new ATOM 0 HG2 PRO A 105 5.962 8.815 -10.013 1.00 0.00 H new ATOM 0 HG3 PRO A 105 4.257 8.630 -10.376 1.00 0.00 H new ATOM 0 HD2 PRO A 105 5.508 10.878 -9.109 1.00 0.00 H new ATOM 0 HD3 PRO A 105 3.791 10.643 -9.368 1.00 0.00 H new ATOM 1605 N VAL A 106 6.190 8.962 -5.210 1.00 0.00 N ATOM 1606 CA VAL A 106 7.398 8.969 -4.404 1.00 0.00 C ATOM 1607 C VAL A 106 8.083 7.605 -4.506 1.00 0.00 C ATOM 1608 O VAL A 106 7.588 6.707 -5.186 1.00 0.00 O ATOM 1609 CB VAL A 106 7.065 9.364 -2.964 1.00 0.00 C ATOM 1610 CG1 VAL A 106 7.053 8.138 -2.048 1.00 0.00 C ATOM 1611 CG2 VAL A 106 8.037 10.426 -2.447 1.00 0.00 C ATOM 0 H VAL A 106 5.369 9.355 -4.750 1.00 0.00 H new ATOM 0 HA VAL A 106 8.101 9.714 -4.777 1.00 0.00 H new ATOM 0 HB VAL A 106 6.064 9.796 -2.958 1.00 0.00 H new ATOM 0 HG11 VAL A 106 6.814 8.447 -1.030 1.00 0.00 H new ATOM 0 HG12 VAL A 106 6.302 7.429 -2.398 1.00 0.00 H new ATOM 0 HG13 VAL A 106 8.034 7.664 -2.062 1.00 0.00 H new ATOM 0 HG21 VAL A 106 7.777 10.688 -1.421 1.00 0.00 H new ATOM 0 HG22 VAL A 106 9.053 10.033 -2.475 1.00 0.00 H new ATOM 0 HG23 VAL A 106 7.974 11.314 -3.076 1.00 0.00 H new ATOM 1621 N GLU A 107 9.211 7.491 -3.821 1.00 0.00 N ATOM 1622 CA GLU A 107 9.968 6.251 -3.826 1.00 0.00 C ATOM 1623 C GLU A 107 9.394 5.274 -2.798 1.00 0.00 C ATOM 1624 O GLU A 107 8.476 5.618 -2.055 1.00 0.00 O ATOM 1625 CB GLU A 107 11.453 6.514 -3.563 1.00 0.00 C ATOM 1626 CG GLU A 107 11.701 6.827 -2.086 1.00 0.00 C ATOM 1627 CD GLU A 107 13.045 7.532 -1.893 1.00 0.00 C ATOM 1628 OE1 GLU A 107 14.075 6.848 -2.073 1.00 0.00 O ATOM 1629 OE2 GLU A 107 13.011 8.739 -1.569 1.00 0.00 O ATOM 0 H GLU A 107 9.619 8.237 -3.258 1.00 0.00 H new ATOM 0 HA GLU A 107 9.882 5.800 -4.814 1.00 0.00 H new ATOM 0 HB2 GLU A 107 12.038 5.643 -3.857 1.00 0.00 H new ATOM 0 HB3 GLU A 107 11.793 7.348 -4.177 1.00 0.00 H new ATOM 0 HG2 GLU A 107 10.898 7.457 -1.704 1.00 0.00 H new ATOM 0 HG3 GLU A 107 11.684 5.904 -1.507 1.00 0.00 H new ATOM 1636 N MET A 108 9.959 4.076 -2.789 1.00 0.00 N ATOM 1637 CA MET A 108 9.514 3.046 -1.864 1.00 0.00 C ATOM 1638 C MET A 108 10.508 2.877 -0.714 1.00 0.00 C ATOM 1639 O MET A 108 10.201 2.231 0.287 1.00 0.00 O ATOM 1640 CB MET A 108 9.366 1.719 -2.611 1.00 0.00 C ATOM 1641 CG MET A 108 8.011 1.635 -3.316 1.00 0.00 C ATOM 1642 SD MET A 108 8.073 0.413 -4.615 1.00 0.00 S ATOM 1643 CE MET A 108 7.897 1.468 -6.043 1.00 0.00 C ATOM 0 H MET A 108 10.720 3.795 -3.407 1.00 0.00 H new ATOM 0 HA MET A 108 8.553 3.347 -1.447 1.00 0.00 H new ATOM 0 HB2 MET A 108 10.168 1.618 -3.343 1.00 0.00 H new ATOM 0 HB3 MET A 108 9.468 0.890 -1.911 1.00 0.00 H new ATOM 0 HG2 MET A 108 7.234 1.375 -2.598 1.00 0.00 H new ATOM 0 HG3 MET A 108 7.748 2.607 -3.732 1.00 0.00 H new ATOM 0 HE1 MET A 108 7.915 0.861 -6.948 1.00 0.00 H new ATOM 0 HE2 MET A 108 6.950 2.004 -5.985 1.00 0.00 H new ATOM 0 HE3 MET A 108 8.718 2.184 -6.070 1.00 0.00 H new ATOM 1653 N THR A 109 11.680 3.468 -0.894 1.00 0.00 N ATOM 1654 CA THR A 109 12.721 3.390 0.116 1.00 0.00 C ATOM 1655 C THR A 109 12.845 1.960 0.646 1.00 0.00 C ATOM 1656 O THR A 109 13.500 1.121 0.029 1.00 0.00 O ATOM 1657 CB THR A 109 12.400 4.415 1.206 1.00 0.00 C ATOM 1658 OG1 THR A 109 11.007 4.237 1.450 1.00 0.00 O ATOM 1659 CG2 THR A 109 12.510 5.856 0.704 1.00 0.00 C ATOM 0 H THR A 109 11.932 4.003 -1.725 1.00 0.00 H new ATOM 0 HA THR A 109 13.697 3.634 -0.303 1.00 0.00 H new ATOM 0 HB THR A 109 13.075 4.272 2.050 1.00 0.00 H new ATOM 0 HG1 THR A 109 10.714 4.863 2.145 1.00 0.00 H new ATOM 0 HG21 THR A 109 12.272 6.543 1.516 1.00 0.00 H new ATOM 0 HG22 THR A 109 13.526 6.043 0.356 1.00 0.00 H new ATOM 0 HG23 THR A 109 11.810 6.009 -0.118 1.00 0.00 H new ATOM 1667 N GLY A 110 12.206 1.726 1.782 1.00 0.00 N ATOM 1668 CA GLY A 110 12.236 0.412 2.401 1.00 0.00 C ATOM 1669 C GLY A 110 11.094 0.253 3.407 1.00 0.00 C ATOM 1670 O GLY A 110 10.451 -0.795 3.461 1.00 0.00 O ATOM 0 H GLY A 110 11.664 2.425 2.291 1.00 0.00 H new ATOM 0 HA2 GLY A 110 12.158 -0.357 1.633 1.00 0.00 H new ATOM 0 HA3 GLY A 110 13.192 0.265 2.904 1.00 0.00 H new ATOM 1674 N LYS A 111 10.876 1.308 4.178 1.00 0.00 N ATOM 1675 CA LYS A 111 9.822 1.299 5.178 1.00 0.00 C ATOM 1676 C LYS A 111 8.462 1.252 4.480 1.00 0.00 C ATOM 1677 O LYS A 111 7.534 0.604 4.963 1.00 0.00 O ATOM 1678 CB LYS A 111 9.982 2.482 6.135 1.00 0.00 C ATOM 1679 CG LYS A 111 9.893 3.811 5.383 1.00 0.00 C ATOM 1680 CD LYS A 111 11.020 4.756 5.805 1.00 0.00 C ATOM 1681 CE LYS A 111 10.668 6.209 5.481 1.00 0.00 C ATOM 1682 NZ LYS A 111 11.543 6.728 4.407 1.00 0.00 N ATOM 0 H LYS A 111 11.411 2.175 4.130 1.00 0.00 H new ATOM 0 HA LYS A 111 9.893 0.405 5.798 1.00 0.00 H new ATOM 0 HB2 LYS A 111 9.208 2.441 6.902 1.00 0.00 H new ATOM 0 HB3 LYS A 111 10.942 2.413 6.647 1.00 0.00 H new ATOM 0 HG2 LYS A 111 9.948 3.630 4.310 1.00 0.00 H new ATOM 0 HG3 LYS A 111 8.928 4.280 5.578 1.00 0.00 H new ATOM 0 HD2 LYS A 111 11.205 4.653 6.874 1.00 0.00 H new ATOM 0 HD3 LYS A 111 11.942 4.479 5.294 1.00 0.00 H new ATOM 0 HE2 LYS A 111 9.625 6.276 5.172 1.00 0.00 H new ATOM 0 HE3 LYS A 111 10.776 6.823 6.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 11.290 7.715 4.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 12.535 6.682 4.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 11.420 6.152 3.550 1.00 0.00 H new ATOM 1696 N HIS A 112 8.386 1.947 3.355 1.00 0.00 N ATOM 1697 CA HIS A 112 7.154 1.993 2.585 1.00 0.00 C ATOM 1698 C HIS A 112 6.661 0.569 2.320 1.00 0.00 C ATOM 1699 O HIS A 112 5.482 0.273 2.504 1.00 0.00 O ATOM 1700 CB HIS A 112 7.346 2.803 1.301 1.00 0.00 C ATOM 1701 CG HIS A 112 7.794 4.226 1.534 1.00 0.00 C ATOM 1702 ND1 HIS A 112 8.152 5.077 0.503 1.00 0.00 N ATOM 1703 CD2 HIS A 112 7.937 4.938 2.688 1.00 0.00 C ATOM 1704 CE1 HIS A 112 8.495 6.246 1.025 1.00 0.00 C ATOM 1705 NE2 HIS A 112 8.361 6.157 2.380 1.00 0.00 N ATOM 0 H HIS A 112 9.157 2.483 2.958 1.00 0.00 H new ATOM 0 HA HIS A 112 6.382 2.507 3.158 1.00 0.00 H new ATOM 0 HB2 HIS A 112 8.081 2.300 0.673 1.00 0.00 H new ATOM 0 HB3 HIS A 112 6.407 2.814 0.747 1.00 0.00 H new ATOM 0 HD1 HIS A 112 8.152 4.844 -0.490 1.00 0.00 H new ATOM 0 HD2 HIS A 112 7.739 4.572 3.684 1.00 0.00 H new ATOM 0 HE1 HIS A 112 8.823 7.116 0.475 1.00 0.00 H new ATOM 1713 N GLN A 113 7.589 -0.274 1.893 1.00 0.00 N ATOM 1714 CA GLN A 113 7.264 -1.660 1.600 1.00 0.00 C ATOM 1715 C GLN A 113 6.679 -2.340 2.840 1.00 0.00 C ATOM 1716 O GLN A 113 6.902 -1.891 3.963 1.00 0.00 O ATOM 1717 CB GLN A 113 8.492 -2.415 1.089 1.00 0.00 C ATOM 1718 CG GLN A 113 8.955 -1.859 -0.259 1.00 0.00 C ATOM 1719 CD GLN A 113 8.006 -2.282 -1.382 1.00 0.00 C ATOM 1720 OE1 GLN A 113 7.189 -3.177 -1.236 1.00 0.00 O ATOM 1721 NE2 GLN A 113 8.157 -1.590 -2.508 1.00 0.00 N ATOM 0 H GLN A 113 8.566 -0.024 1.743 1.00 0.00 H new ATOM 0 HA GLN A 113 6.513 -1.678 0.810 1.00 0.00 H new ATOM 0 HB2 GLN A 113 9.300 -2.336 1.816 1.00 0.00 H new ATOM 0 HB3 GLN A 113 8.256 -3.474 0.988 1.00 0.00 H new ATOM 0 HG2 GLN A 113 9.004 -0.771 -0.210 1.00 0.00 H new ATOM 0 HG3 GLN A 113 9.962 -2.214 -0.476 1.00 0.00 H new ATOM 0 HE21 GLN A 113 8.860 -0.853 -2.563 1.00 0.00 H new ATOM 0 HE22 GLN A 113 7.570 -1.796 -3.316 1.00 0.00 H new ATOM 1730 N LEU A 114 5.941 -3.413 2.594 1.00 0.00 N ATOM 1731 CA LEU A 114 5.322 -4.160 3.675 1.00 0.00 C ATOM 1732 C LEU A 114 6.036 -5.504 3.835 1.00 0.00 C ATOM 1733 O LEU A 114 6.420 -5.879 4.942 1.00 0.00 O ATOM 1734 CB LEU A 114 3.815 -4.288 3.444 1.00 0.00 C ATOM 1735 CG LEU A 114 3.046 -2.974 3.292 1.00 0.00 C ATOM 1736 CD1 LEU A 114 1.843 -3.148 2.363 1.00 0.00 C ATOM 1737 CD2 LEU A 114 2.640 -2.415 4.657 1.00 0.00 C ATOM 0 H LEU A 114 5.758 -3.783 1.661 1.00 0.00 H new ATOM 0 HA LEU A 114 5.432 -3.626 4.619 1.00 0.00 H new ATOM 0 HB2 LEU A 114 3.654 -4.886 2.547 1.00 0.00 H new ATOM 0 HB3 LEU A 114 3.385 -4.843 4.278 1.00 0.00 H new ATOM 0 HG LEU A 114 3.708 -2.242 2.829 1.00 0.00 H new ATOM 0 HD11 LEU A 114 1.313 -2.200 2.272 1.00 0.00 H new ATOM 0 HD12 LEU A 114 2.186 -3.468 1.379 1.00 0.00 H new ATOM 0 HD13 LEU A 114 1.171 -3.901 2.775 1.00 0.00 H new ATOM 0 HD21 LEU A 114 2.095 -1.481 4.520 1.00 0.00 H new ATOM 0 HD22 LEU A 114 2.003 -3.135 5.170 1.00 0.00 H new ATOM 0 HD23 LEU A 114 3.533 -2.230 5.255 1.00 0.00 H new