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 54:sc= 0.577 USER MOD Set 1.2: A 62 HIS : no HD1:sc= -5.57! C(o=-5!,f=-6.7!) USER MOD Set 2.1: A 42 MET CE :methyl 167:sc= -1.95! (180deg=-2.22!) USER MOD Set 2.2: A 54 ASN : amide:sc= -0.121 X(o=-2.1,f=-2.2) 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 -144:sc= -0.225 (180deg=-2.85!) 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 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 180:sc= -0.168 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -0.0208 X(o=-0.021,f=0) USER MOD Single : A 68 ASN :FLIP amide:sc= -1.1 F(o=-1.9!,f=-1.1) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= -0.0963 USER MOD Single : A 78 GLN : amide:sc= -0.23 K(o=-0.23,f=-2.5!) USER MOD Single : A 80 GLN :FLIP amide:sc= -2.33 F(o=-3.1,f=-2.3) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 GLN : amide:sc=-0.00886 X(o=-0.0089,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= -0.0418 K(o=-0.042,f=-0.84) USER MOD Single : A 94 SER OG : rot 180:sc= 0.0107 USER MOD Single : A 99 CYS SG : rot 141:sc= -6.11! USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 MET CE :methyl 171:sc= 0 (180deg=-0.0799) USER MOD Single : A 109 THR OG1 : rot 180:sc= -0.0421 USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 HIS : no HE2:sc= -1.38! C(o=-1.4!,f=-5.7!) USER MOD Single : A 113 GLN : amide:sc= -6.5! C(o=-6.5!,f=-6.3!) USER MOD ----------------------------------------------------------------- ATOM 298 N LEU A 24 0.150 4.702 -12.370 1.00 0.00 N ATOM 299 CA LEU A 24 0.374 4.793 -10.937 1.00 0.00 C ATOM 300 C LEU A 24 -0.949 4.567 -10.203 1.00 0.00 C ATOM 301 O LEU A 24 -1.392 5.422 -9.438 1.00 0.00 O ATOM 302 CB LEU A 24 1.054 6.118 -10.586 1.00 0.00 C ATOM 303 CG LEU A 24 2.152 6.047 -9.522 1.00 0.00 C ATOM 304 CD1 LEU A 24 1.574 5.643 -8.164 1.00 0.00 C ATOM 305 CD2 LEU A 24 3.283 5.116 -9.964 1.00 0.00 C ATOM 0 HA LEU A 24 1.059 4.012 -10.607 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.484 6.535 -11.496 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.290 6.817 -10.245 1.00 0.00 H new ATOM 0 HG LEU A 24 2.581 7.042 -9.406 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.375 5.600 -7.426 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.832 6.377 -7.851 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.103 4.663 -8.246 1.00 0.00 H new ATOM 0 HD21 LEU A 24 4.050 5.083 -9.191 1.00 0.00 H new ATOM 0 HD22 LEU A 24 2.887 4.113 -10.125 1.00 0.00 H new ATOM 0 HD23 LEU A 24 3.719 5.487 -10.892 1.00 0.00 H new ATOM 317 N VAL A 25 -1.542 3.411 -10.461 1.00 0.00 N ATOM 318 CA VAL A 25 -2.805 3.061 -9.834 1.00 0.00 C ATOM 319 C VAL A 25 -2.555 2.673 -8.376 1.00 0.00 C ATOM 320 O VAL A 25 -1.871 1.688 -8.100 1.00 0.00 O ATOM 321 CB VAL A 25 -3.500 1.959 -10.636 1.00 0.00 C ATOM 322 CG1 VAL A 25 -4.966 1.819 -10.219 1.00 0.00 C ATOM 323 CG2 VAL A 25 -3.380 2.216 -12.139 1.00 0.00 C ATOM 0 H VAL A 25 -1.171 2.704 -11.096 1.00 0.00 H new ATOM 0 HA VAL A 25 -3.480 3.917 -9.831 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.998 1.017 -10.416 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -5.437 1.029 -10.804 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -5.021 1.568 -9.160 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -5.486 2.761 -10.396 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -3.882 1.418 -12.686 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -3.845 3.171 -12.383 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -2.327 2.242 -12.421 1.00 0.00 H new ATOM 333 N VAL A 26 -3.123 3.466 -7.479 1.00 0.00 N ATOM 334 CA VAL A 26 -2.970 3.217 -6.056 1.00 0.00 C ATOM 335 C VAL A 26 -4.295 2.706 -5.487 1.00 0.00 C ATOM 336 O VAL A 26 -5.333 3.345 -5.651 1.00 0.00 O ATOM 337 CB VAL A 26 -2.467 4.481 -5.355 1.00 0.00 C ATOM 338 CG1 VAL A 26 -2.466 4.302 -3.835 1.00 0.00 C ATOM 339 CG2 VAL A 26 -1.077 4.872 -5.861 1.00 0.00 C ATOM 0 H VAL A 26 -3.690 4.282 -7.711 1.00 0.00 H new ATOM 0 HA VAL A 26 -2.221 2.444 -5.882 1.00 0.00 H new ATOM 0 HB VAL A 26 -3.153 5.293 -5.596 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.104 5.215 -3.361 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -3.479 4.093 -3.493 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.814 3.471 -3.567 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -0.743 5.773 -5.347 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -0.376 4.061 -5.664 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.120 5.061 -6.934 1.00 0.00 H new ATOM 349 N PHE A 27 -4.216 1.557 -4.831 1.00 0.00 N ATOM 350 CA PHE A 27 -5.396 0.952 -4.237 1.00 0.00 C ATOM 351 C PHE A 27 -5.244 0.828 -2.720 1.00 0.00 C ATOM 352 O PHE A 27 -4.393 0.082 -2.237 1.00 0.00 O ATOM 353 CB PHE A 27 -5.534 -0.447 -4.840 1.00 0.00 C ATOM 354 CG PHE A 27 -6.621 -1.302 -4.188 1.00 0.00 C ATOM 355 CD1 PHE A 27 -7.908 -1.210 -4.617 1.00 0.00 C ATOM 356 CD2 PHE A 27 -6.301 -2.156 -3.178 1.00 0.00 C ATOM 357 CE1 PHE A 27 -8.918 -2.004 -4.011 1.00 0.00 C ATOM 358 CE2 PHE A 27 -7.310 -2.950 -2.572 1.00 0.00 C ATOM 359 CZ PHE A 27 -8.597 -2.857 -3.001 1.00 0.00 C ATOM 0 H PHE A 27 -3.353 1.029 -4.698 1.00 0.00 H new ATOM 0 HA PHE A 27 -6.271 1.569 -4.438 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -5.750 -0.353 -5.904 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -4.579 -0.964 -4.753 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -8.162 -0.533 -5.419 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -5.279 -2.230 -2.837 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -9.940 -1.931 -4.352 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -7.055 -3.628 -1.771 1.00 0.00 H new ATOM 0 HZ PHE A 27 -9.365 -3.461 -2.540 1.00 0.00 H new ATOM 369 N ILE A 28 -6.082 1.569 -2.010 1.00 0.00 N ATOM 370 CA ILE A 28 -6.051 1.551 -0.557 1.00 0.00 C ATOM 371 C ILE A 28 -6.844 0.345 -0.050 1.00 0.00 C ATOM 372 O ILE A 28 -7.901 0.021 -0.588 1.00 0.00 O ATOM 373 CB ILE A 28 -6.537 2.888 0.006 1.00 0.00 C ATOM 374 CG1 ILE A 28 -5.565 4.016 -0.344 1.00 0.00 C ATOM 375 CG2 ILE A 28 -6.784 2.791 1.513 1.00 0.00 C ATOM 376 CD1 ILE A 28 -5.911 5.295 0.421 1.00 0.00 C ATOM 0 H ILE A 28 -6.787 2.186 -2.414 1.00 0.00 H new ATOM 0 HA ILE A 28 -5.028 1.434 -0.199 1.00 0.00 H new ATOM 0 HB ILE A 28 -7.492 3.129 -0.462 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -4.546 3.710 -0.106 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -5.597 4.209 -1.416 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -7.129 3.755 1.888 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -7.542 2.033 1.709 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -5.857 2.516 2.017 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -5.205 6.081 0.154 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -6.921 5.612 0.162 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -5.854 5.105 1.493 1.00 0.00 H new ATOM 388 N LEU A 29 -6.302 -0.288 0.981 1.00 0.00 N ATOM 389 CA LEU A 29 -6.946 -1.451 1.567 1.00 0.00 C ATOM 390 C LEU A 29 -7.643 -1.042 2.867 1.00 0.00 C ATOM 391 O LEU A 29 -6.986 -0.662 3.834 1.00 0.00 O ATOM 392 CB LEU A 29 -5.939 -2.590 1.741 1.00 0.00 C ATOM 393 CG LEU A 29 -6.504 -3.910 2.271 1.00 0.00 C ATOM 394 CD1 LEU A 29 -7.264 -4.660 1.176 1.00 0.00 C ATOM 395 CD2 LEU A 29 -5.401 -4.767 2.894 1.00 0.00 C ATOM 0 H LEU A 29 -5.425 -0.017 1.425 1.00 0.00 H new ATOM 0 HA LEU A 29 -7.717 -1.837 0.899 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -5.466 -2.781 0.778 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -5.155 -2.255 2.420 1.00 0.00 H new ATOM 0 HG LEU A 29 -7.220 -3.683 3.061 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -7.655 -5.594 1.579 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -8.090 -4.045 0.820 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -6.589 -4.876 0.348 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -5.829 -5.699 3.263 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -4.643 -4.988 2.142 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -4.943 -4.225 3.722 1.00 0.00 H new ATOM 407 N GLU A 30 -8.964 -1.135 2.847 1.00 0.00 N ATOM 408 CA GLU A 30 -9.757 -0.780 4.011 1.00 0.00 C ATOM 409 C GLU A 30 -9.202 -1.466 5.261 1.00 0.00 C ATOM 410 O GLU A 30 -8.918 -0.807 6.261 1.00 0.00 O ATOM 411 CB GLU A 30 -11.231 -1.134 3.800 1.00 0.00 C ATOM 412 CG GLU A 30 -12.091 -0.611 4.952 1.00 0.00 C ATOM 413 CD GLU A 30 -12.766 -1.763 5.699 1.00 0.00 C ATOM 414 OE1 GLU A 30 -13.685 -2.365 5.103 1.00 0.00 O ATOM 415 OE2 GLU A 30 -12.349 -2.015 6.850 1.00 0.00 O ATOM 0 H GLU A 30 -9.505 -1.451 2.043 1.00 0.00 H new ATOM 0 HA GLU A 30 -9.694 0.299 4.154 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -11.580 -0.709 2.859 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -11.341 -2.216 3.721 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -11.471 -0.039 5.642 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -12.849 0.070 4.565 1.00 0.00 H new ATOM 422 N LYS A 31 -9.063 -2.780 5.164 1.00 0.00 N ATOM 423 CA LYS A 31 -8.547 -3.562 6.274 1.00 0.00 C ATOM 424 C LYS A 31 -7.428 -2.781 6.966 1.00 0.00 C ATOM 425 O LYS A 31 -6.493 -2.319 6.314 1.00 0.00 O ATOM 426 CB LYS A 31 -8.121 -4.953 5.797 1.00 0.00 C ATOM 427 CG LYS A 31 -9.311 -5.723 5.222 1.00 0.00 C ATOM 428 CD LYS A 31 -9.284 -7.186 5.668 1.00 0.00 C ATOM 429 CE LYS A 31 -10.659 -7.837 5.499 1.00 0.00 C ATOM 430 NZ LYS A 31 -11.295 -8.055 6.817 1.00 0.00 N ATOM 0 H LYS A 31 -9.299 -3.323 4.333 1.00 0.00 H new ATOM 0 HA LYS A 31 -9.327 -3.729 7.017 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -7.343 -4.859 5.039 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -7.690 -5.510 6.629 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -10.241 -5.257 5.547 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -9.291 -5.670 4.133 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -8.544 -7.734 5.085 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -8.975 -7.246 6.712 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -11.295 -7.202 4.882 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -10.556 -8.788 4.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -12.227 -8.497 6.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -10.695 -8.679 7.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -11.411 -7.142 7.302 1.00 0.00 H new ATOM 444 N LYS A 32 -7.562 -2.657 8.279 1.00 0.00 N ATOM 445 CA LYS A 32 -6.574 -1.939 9.067 1.00 0.00 C ATOM 446 C LYS A 32 -6.627 -0.452 8.711 1.00 0.00 C ATOM 447 O LYS A 32 -5.598 0.160 8.430 1.00 0.00 O ATOM 448 CB LYS A 32 -5.190 -2.565 8.889 1.00 0.00 C ATOM 449 CG LYS A 32 -5.153 -3.985 9.458 1.00 0.00 C ATOM 450 CD LYS A 32 -4.333 -4.038 10.748 1.00 0.00 C ATOM 451 CE LYS A 32 -5.240 -4.205 11.968 1.00 0.00 C ATOM 452 NZ LYS A 32 -5.225 -2.980 12.798 1.00 0.00 N ATOM 0 H LYS A 32 -8.339 -3.041 8.816 1.00 0.00 H new ATOM 0 HA LYS A 32 -6.801 -2.021 10.130 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -4.930 -2.587 7.831 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -4.442 -1.950 9.388 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -6.169 -4.328 9.654 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -4.723 -4.664 8.722 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -3.626 -4.866 10.700 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -3.747 -3.124 10.848 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -6.259 -4.419 11.644 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -4.908 -5.057 12.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -5.846 -3.111 13.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -4.255 -2.792 13.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -5.563 -2.174 12.234 1.00 0.00 H new ATOM 466 N MET A 33 -7.838 0.087 8.735 1.00 0.00 N ATOM 467 CA MET A 33 -8.038 1.491 8.419 1.00 0.00 C ATOM 468 C MET A 33 -9.514 1.875 8.540 1.00 0.00 C ATOM 469 O MET A 33 -9.896 2.610 9.449 1.00 0.00 O ATOM 470 CB MET A 33 -7.554 1.767 6.994 1.00 0.00 C ATOM 471 CG MET A 33 -7.502 3.271 6.715 1.00 0.00 C ATOM 472 SD MET A 33 -7.246 3.560 4.972 1.00 0.00 S ATOM 473 CE MET A 33 -5.650 2.789 4.761 1.00 0.00 C ATOM 0 H MET A 33 -8.690 -0.423 8.968 1.00 0.00 H new ATOM 0 HA MET A 33 -7.467 2.089 9.129 1.00 0.00 H new ATOM 0 HB2 MET A 33 -6.565 1.332 6.851 1.00 0.00 H new ATOM 0 HB3 MET A 33 -8.220 1.284 6.280 1.00 0.00 H new ATOM 0 HG2 MET A 33 -8.431 3.741 7.037 1.00 0.00 H new ATOM 0 HG3 MET A 33 -6.697 3.728 7.290 1.00 0.00 H new ATOM 0 HE1 MET A 33 -5.064 3.357 4.038 1.00 0.00 H new ATOM 0 HE2 MET A 33 -5.126 2.769 5.717 1.00 0.00 H new ATOM 0 HE3 MET A 33 -5.783 1.770 4.399 1.00 0.00 H new ATOM 483 N GLY A 34 -10.305 1.359 7.610 1.00 0.00 N ATOM 484 CA GLY A 34 -11.731 1.639 7.601 1.00 0.00 C ATOM 485 C GLY A 34 -12.170 2.205 6.249 1.00 0.00 C ATOM 486 O GLY A 34 -11.424 2.141 5.273 1.00 0.00 O ATOM 0 H GLY A 34 -9.985 0.749 6.858 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -12.286 0.725 7.814 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -11.971 2.350 8.392 1.00 0.00 H new ATOM 490 N THR A 35 -13.379 2.747 6.235 1.00 0.00 N ATOM 491 CA THR A 35 -13.926 3.325 5.019 1.00 0.00 C ATOM 492 C THR A 35 -13.558 4.806 4.920 1.00 0.00 C ATOM 493 O THR A 35 -12.932 5.230 3.949 1.00 0.00 O ATOM 494 CB THR A 35 -15.435 3.072 5.014 1.00 0.00 C ATOM 495 OG1 THR A 35 -15.551 1.666 4.814 1.00 0.00 O ATOM 496 CG2 THR A 35 -16.126 3.680 3.792 1.00 0.00 C ATOM 0 H THR A 35 -13.995 2.798 7.046 1.00 0.00 H new ATOM 0 HA THR A 35 -13.500 2.857 4.132 1.00 0.00 H new ATOM 0 HB THR A 35 -15.875 3.484 5.922 1.00 0.00 H new ATOM 0 HG1 THR A 35 -16.498 1.415 4.799 1.00 0.00 H new ATOM 0 HG21 THR A 35 -17.195 3.472 3.837 1.00 0.00 H new ATOM 0 HG22 THR A 35 -15.966 4.758 3.783 1.00 0.00 H new ATOM 0 HG23 THR A 35 -15.710 3.244 2.884 1.00 0.00 H new ATOM 504 N THR A 36 -13.961 5.553 5.937 1.00 0.00 N ATOM 505 CA THR A 36 -13.681 6.978 5.976 1.00 0.00 C ATOM 506 C THR A 36 -12.286 7.263 5.417 1.00 0.00 C ATOM 507 O THR A 36 -12.151 7.825 4.331 1.00 0.00 O ATOM 508 CB THR A 36 -13.868 7.457 7.417 1.00 0.00 C ATOM 509 OG1 THR A 36 -15.254 7.253 7.674 1.00 0.00 O ATOM 510 CG2 THR A 36 -13.680 8.969 7.561 1.00 0.00 C ATOM 0 H THR A 36 -14.479 5.198 6.741 1.00 0.00 H new ATOM 0 HA THR A 36 -14.371 7.534 5.341 1.00 0.00 H new ATOM 0 HB THR A 36 -13.160 6.940 8.066 1.00 0.00 H new ATOM 0 HG1 THR A 36 -15.462 7.536 8.589 1.00 0.00 H new ATOM 0 HG21 THR A 36 -13.824 9.256 8.603 1.00 0.00 H new ATOM 0 HG22 THR A 36 -12.673 9.242 7.245 1.00 0.00 H new ATOM 0 HG23 THR A 36 -14.409 9.487 6.938 1.00 0.00 H new ATOM 518 N ARG A 37 -11.283 6.863 6.184 1.00 0.00 N ATOM 519 CA ARG A 37 -9.903 7.068 5.779 1.00 0.00 C ATOM 520 C ARG A 37 -9.668 6.489 4.382 1.00 0.00 C ATOM 521 O ARG A 37 -9.295 7.213 3.461 1.00 0.00 O ATOM 522 CB ARG A 37 -8.935 6.411 6.765 1.00 0.00 C ATOM 523 CG ARG A 37 -8.298 7.454 7.686 1.00 0.00 C ATOM 524 CD ARG A 37 -6.813 7.158 7.905 1.00 0.00 C ATOM 525 NE ARG A 37 -6.170 8.289 8.610 1.00 0.00 N ATOM 526 CZ ARG A 37 -4.997 8.205 9.253 1.00 0.00 C ATOM 527 NH1 ARG A 37 -4.332 7.042 9.283 1.00 0.00 N ATOM 528 NH2 ARG A 37 -4.490 9.283 9.865 1.00 0.00 N ATOM 0 H ARG A 37 -11.399 6.398 7.084 1.00 0.00 H new ATOM 0 HA ARG A 37 -9.718 8.142 5.767 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -9.466 5.669 7.362 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -8.156 5.881 6.217 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -8.414 8.447 7.252 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -8.816 7.462 8.645 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -6.698 6.243 8.487 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -6.322 6.990 6.946 1.00 0.00 H new ATOM 0 HE ARG A 37 -6.650 9.189 8.606 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -4.719 6.221 8.817 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -3.439 6.977 9.772 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -4.997 10.168 9.842 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -3.597 9.219 10.354 1.00 0.00 H new ATOM 542 N ARG A 38 -9.895 5.188 4.270 1.00 0.00 N ATOM 543 CA ARG A 38 -9.713 4.504 3.001 1.00 0.00 C ATOM 544 C ARG A 38 -10.194 5.387 1.848 1.00 0.00 C ATOM 545 O ARG A 38 -9.426 5.701 0.940 1.00 0.00 O ATOM 546 CB ARG A 38 -10.479 3.180 2.975 1.00 0.00 C ATOM 547 CG ARG A 38 -10.634 2.665 1.543 1.00 0.00 C ATOM 548 CD ARG A 38 -11.159 1.227 1.531 1.00 0.00 C ATOM 549 NE ARG A 38 -11.588 0.857 0.164 1.00 0.00 N ATOM 550 CZ ARG A 38 -12.813 1.089 -0.328 1.00 0.00 C ATOM 551 NH1 ARG A 38 -13.737 1.693 0.432 1.00 0.00 N ATOM 552 NH2 ARG A 38 -13.114 0.718 -1.580 1.00 0.00 N ATOM 0 H ARG A 38 -10.203 4.590 5.037 1.00 0.00 H new ATOM 0 HA ARG A 38 -8.649 4.298 2.885 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -9.953 2.439 3.577 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -11.462 3.316 3.425 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -11.319 3.310 0.993 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -9.673 2.709 1.031 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -10.382 0.544 1.875 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -11.996 1.131 2.222 1.00 0.00 H new ATOM 0 HE ARG A 38 -10.909 0.397 -0.442 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -13.508 1.976 1.385 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -14.669 1.870 0.058 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -12.411 0.259 -2.159 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -14.046 0.895 -1.954 1.00 0.00 H new ATOM 566 N ALA A 39 -11.462 5.762 1.921 1.00 0.00 N ATOM 567 CA ALA A 39 -12.054 6.603 0.894 1.00 0.00 C ATOM 568 C ALA A 39 -11.331 7.950 0.865 1.00 0.00 C ATOM 569 O ALA A 39 -10.860 8.383 -0.186 1.00 0.00 O ATOM 570 CB ALA A 39 -13.554 6.751 1.159 1.00 0.00 C ATOM 0 H ALA A 39 -12.096 5.499 2.675 1.00 0.00 H new ATOM 0 HA ALA A 39 -11.940 6.147 -0.089 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -13.999 7.382 0.389 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -14.025 5.768 1.140 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -13.707 7.209 2.136 1.00 0.00 H new ATOM 576 N LEU A 40 -11.266 8.577 2.030 1.00 0.00 N ATOM 577 CA LEU A 40 -10.608 9.867 2.151 1.00 0.00 C ATOM 578 C LEU A 40 -9.233 9.798 1.483 1.00 0.00 C ATOM 579 O LEU A 40 -9.024 10.387 0.424 1.00 0.00 O ATOM 580 CB LEU A 40 -10.559 10.308 3.615 1.00 0.00 C ATOM 581 CG LEU A 40 -10.048 11.727 3.871 1.00 0.00 C ATOM 582 CD1 LEU A 40 -10.302 12.628 2.661 1.00 0.00 C ATOM 583 CD2 LEU A 40 -10.653 12.305 5.153 1.00 0.00 C ATOM 0 H LEU A 40 -11.658 8.216 2.899 1.00 0.00 H new ATOM 0 HA LEU A 40 -11.178 10.636 1.629 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -11.562 10.223 4.033 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.925 9.611 4.163 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.969 11.680 4.017 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -9.929 13.631 2.869 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -9.786 12.223 1.791 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -11.372 12.673 2.459 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -10.273 13.314 5.312 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -11.739 12.336 5.061 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -10.378 11.677 6.000 1.00 0.00 H new ATOM 595 N LEU A 41 -8.332 9.073 2.130 1.00 0.00 N ATOM 596 CA LEU A 41 -6.984 8.919 1.612 1.00 0.00 C ATOM 597 C LEU A 41 -7.043 8.738 0.094 1.00 0.00 C ATOM 598 O LEU A 41 -6.389 9.471 -0.648 1.00 0.00 O ATOM 599 CB LEU A 41 -6.257 7.786 2.338 1.00 0.00 C ATOM 600 CG LEU A 41 -5.705 8.123 3.725 1.00 0.00 C ATOM 601 CD1 LEU A 41 -4.690 9.265 3.648 1.00 0.00 C ATOM 602 CD2 LEU A 41 -6.838 8.428 4.707 1.00 0.00 C ATOM 0 H LEU A 41 -8.510 8.586 3.008 1.00 0.00 H new ATOM 0 HA LEU A 41 -6.398 9.818 1.804 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -6.943 6.945 2.436 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -5.430 7.451 1.711 1.00 0.00 H new ATOM 0 HG LEU A 41 -5.177 7.248 4.105 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.313 9.485 4.647 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -3.861 8.972 3.004 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -5.172 10.153 3.238 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -6.418 8.664 5.685 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -7.415 9.279 4.344 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -7.489 7.558 4.792 1.00 0.00 H new ATOM 614 N MET A 42 -7.832 7.759 -0.323 1.00 0.00 N ATOM 615 CA MET A 42 -7.985 7.473 -1.740 1.00 0.00 C ATOM 616 C MET A 42 -8.303 8.747 -2.525 1.00 0.00 C ATOM 617 O MET A 42 -7.794 8.945 -3.627 1.00 0.00 O ATOM 618 CB MET A 42 -9.111 6.457 -1.937 1.00 0.00 C ATOM 619 CG MET A 42 -8.609 5.030 -1.704 1.00 0.00 C ATOM 620 SD MET A 42 -9.963 3.980 -1.204 1.00 0.00 S ATOM 621 CE MET A 42 -11.255 4.619 -2.257 1.00 0.00 C ATOM 0 H MET A 42 -8.372 7.154 0.295 1.00 0.00 H new ATOM 0 HA MET A 42 -7.046 7.064 -2.113 1.00 0.00 H new ATOM 0 HB2 MET A 42 -9.928 6.676 -1.249 1.00 0.00 H new ATOM 0 HB3 MET A 42 -9.512 6.545 -2.947 1.00 0.00 H new ATOM 0 HG2 MET A 42 -8.155 4.642 -2.616 1.00 0.00 H new ATOM 0 HG3 MET A 42 -7.835 5.029 -0.937 1.00 0.00 H new ATOM 0 HE1 MET A 42 -12.104 3.936 -2.247 1.00 0.00 H new ATOM 0 HE2 MET A 42 -11.571 5.596 -1.893 1.00 0.00 H new ATOM 0 HE3 MET A 42 -10.880 4.716 -3.276 1.00 0.00 H new ATOM 631 N GLU A 43 -9.144 9.578 -1.927 1.00 0.00 N ATOM 632 CA GLU A 43 -9.536 10.828 -2.556 1.00 0.00 C ATOM 633 C GLU A 43 -8.384 11.832 -2.506 1.00 0.00 C ATOM 634 O GLU A 43 -8.188 12.605 -3.443 1.00 0.00 O ATOM 635 CB GLU A 43 -10.793 11.401 -1.899 1.00 0.00 C ATOM 636 CG GLU A 43 -10.804 12.929 -1.977 1.00 0.00 C ATOM 637 CD GLU A 43 -12.188 13.486 -1.640 1.00 0.00 C ATOM 638 OE1 GLU A 43 -13.097 13.293 -2.476 1.00 0.00 O ATOM 639 OE2 GLU A 43 -12.307 14.092 -0.553 1.00 0.00 O ATOM 0 H GLU A 43 -9.565 9.410 -1.013 1.00 0.00 H new ATOM 0 HA GLU A 43 -9.771 10.628 -3.601 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -11.680 11.002 -2.392 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -10.839 11.086 -0.856 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -10.066 13.337 -1.286 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -10.514 13.248 -2.978 1.00 0.00 H new ATOM 646 N LEU A 44 -7.651 11.789 -1.403 1.00 0.00 N ATOM 647 CA LEU A 44 -6.523 12.687 -1.218 1.00 0.00 C ATOM 648 C LEU A 44 -5.493 12.437 -2.321 1.00 0.00 C ATOM 649 O LEU A 44 -4.992 13.380 -2.933 1.00 0.00 O ATOM 650 CB LEU A 44 -5.956 12.550 0.196 1.00 0.00 C ATOM 651 CG LEU A 44 -6.889 12.963 1.336 1.00 0.00 C ATOM 652 CD1 LEU A 44 -6.116 13.677 2.447 1.00 0.00 C ATOM 653 CD2 LEU A 44 -8.053 13.808 0.814 1.00 0.00 C ATOM 0 H LEU A 44 -7.816 11.146 -0.628 1.00 0.00 H new ATOM 0 HA LEU A 44 -6.843 13.725 -1.309 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -5.664 11.511 0.350 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -5.048 13.149 0.261 1.00 0.00 H new ATOM 0 HG LEU A 44 -7.316 12.059 1.771 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -6.803 13.960 3.245 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -5.352 13.009 2.846 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -5.641 14.571 2.043 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -8.701 14.088 1.645 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -7.664 14.708 0.338 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -8.624 13.231 0.087 1.00 0.00 H new ATOM 665 N ALA A 45 -5.206 11.163 -2.541 1.00 0.00 N ATOM 666 CA ALA A 45 -4.244 10.777 -3.560 1.00 0.00 C ATOM 667 C ALA A 45 -4.712 11.297 -4.920 1.00 0.00 C ATOM 668 O ALA A 45 -3.923 11.857 -5.680 1.00 0.00 O ATOM 669 CB ALA A 45 -4.067 9.258 -3.546 1.00 0.00 C ATOM 0 H ALA A 45 -5.623 10.384 -2.031 1.00 0.00 H new ATOM 0 HA ALA A 45 -3.270 11.220 -3.355 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -3.346 8.969 -4.310 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -3.705 8.943 -2.567 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -5.024 8.778 -3.750 1.00 0.00 H new ATOM 675 N ARG A 46 -5.994 11.094 -5.187 1.00 0.00 N ATOM 676 CA ARG A 46 -6.577 11.536 -6.442 1.00 0.00 C ATOM 677 C ARG A 46 -6.324 13.031 -6.648 1.00 0.00 C ATOM 678 O ARG A 46 -5.882 13.447 -7.717 1.00 0.00 O ATOM 679 CB ARG A 46 -8.083 11.271 -6.474 1.00 0.00 C ATOM 680 CG ARG A 46 -8.377 9.821 -6.865 1.00 0.00 C ATOM 681 CD ARG A 46 -9.868 9.621 -7.147 1.00 0.00 C ATOM 682 NE ARG A 46 -10.056 9.063 -8.504 1.00 0.00 N ATOM 683 CZ ARG A 46 -11.228 9.049 -9.155 1.00 0.00 C ATOM 684 NH1 ARG A 46 -12.322 9.562 -8.576 1.00 0.00 N ATOM 685 NH2 ARG A 46 -11.305 8.521 -10.384 1.00 0.00 N ATOM 0 H ARG A 46 -6.646 10.629 -4.555 1.00 0.00 H new ATOM 0 HA ARG A 46 -6.104 10.970 -7.244 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -8.514 11.482 -5.495 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -8.560 11.947 -7.184 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -7.797 9.554 -7.748 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -8.062 9.153 -6.063 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -10.300 8.949 -6.405 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -10.394 10.572 -7.060 1.00 0.00 H new ATOM 0 HE ARG A 46 -9.243 8.664 -8.974 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -12.263 9.963 -7.640 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -13.214 9.551 -9.071 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -10.472 8.130 -10.824 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -12.197 8.510 -10.879 1.00 0.00 H new ATOM 699 N ARG A 47 -6.617 13.796 -5.607 1.00 0.00 N ATOM 700 CA ARG A 47 -6.427 15.236 -5.660 1.00 0.00 C ATOM 701 C ARG A 47 -5.014 15.567 -6.142 1.00 0.00 C ATOM 702 O ARG A 47 -4.797 16.595 -6.782 1.00 0.00 O ATOM 703 CB ARG A 47 -6.653 15.872 -4.287 1.00 0.00 C ATOM 704 CG ARG A 47 -8.114 15.735 -3.853 1.00 0.00 C ATOM 705 CD ARG A 47 -8.285 16.111 -2.380 1.00 0.00 C ATOM 706 NE ARG A 47 -9.415 17.054 -2.226 1.00 0.00 N ATOM 707 CZ ARG A 47 -9.346 18.362 -2.512 1.00 0.00 C ATOM 708 NH1 ARG A 47 -8.202 18.888 -2.968 1.00 0.00 N ATOM 709 NH2 ARG A 47 -10.422 19.142 -2.341 1.00 0.00 N ATOM 0 H ARG A 47 -6.984 13.446 -4.722 1.00 0.00 H new ATOM 0 HA ARG A 47 -7.157 15.642 -6.360 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -6.005 15.396 -3.551 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -6.377 16.926 -4.321 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -8.743 16.376 -4.471 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -8.450 14.710 -4.012 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -8.465 15.215 -1.786 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -7.368 16.564 -2.003 1.00 0.00 H new ATOM 0 HE ARG A 47 -10.301 16.686 -1.881 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -7.383 18.294 -3.098 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -8.149 19.883 -3.186 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -11.293 18.741 -1.993 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -10.370 20.137 -2.558 1.00 0.00 H new ATOM 723 N LYS A 48 -4.088 14.677 -5.817 1.00 0.00 N ATOM 724 CA LYS A 48 -2.701 14.863 -6.209 1.00 0.00 C ATOM 725 C LYS A 48 -2.556 14.579 -7.705 1.00 0.00 C ATOM 726 O LYS A 48 -1.653 15.104 -8.355 1.00 0.00 O ATOM 727 CB LYS A 48 -1.778 14.015 -5.330 1.00 0.00 C ATOM 728 CG LYS A 48 -1.835 14.475 -3.872 1.00 0.00 C ATOM 729 CD LYS A 48 -1.281 15.893 -3.721 1.00 0.00 C ATOM 730 CE LYS A 48 -1.112 16.262 -2.246 1.00 0.00 C ATOM 731 NZ LYS A 48 -0.465 17.586 -2.114 1.00 0.00 N ATOM 0 H LYS A 48 -4.271 13.825 -5.287 1.00 0.00 H new ATOM 0 HA LYS A 48 -2.395 15.897 -6.049 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -2.069 12.967 -5.396 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -0.754 14.085 -5.698 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -2.865 14.444 -3.517 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -1.262 13.789 -3.248 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -0.320 15.968 -4.231 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -1.953 16.603 -4.202 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -2.085 16.275 -1.755 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -0.511 15.505 -1.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -0.358 17.821 -1.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 0.472 17.561 -2.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -1.053 18.308 -2.577 1.00 0.00 H new ATOM 745 N GLY A 49 -3.459 13.750 -8.208 1.00 0.00 N ATOM 746 CA GLY A 49 -3.443 13.391 -9.616 1.00 0.00 C ATOM 747 C GLY A 49 -3.327 11.876 -9.793 1.00 0.00 C ATOM 748 O GLY A 49 -3.487 11.363 -10.900 1.00 0.00 O ATOM 0 H GLY A 49 -4.206 13.317 -7.666 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -4.354 13.748 -10.097 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -2.607 13.884 -10.111 1.00 0.00 H new ATOM 752 N PHE A 50 -3.050 11.202 -8.687 1.00 0.00 N ATOM 753 CA PHE A 50 -2.910 9.756 -8.707 1.00 0.00 C ATOM 754 C PHE A 50 -4.217 9.085 -9.137 1.00 0.00 C ATOM 755 O PHE A 50 -5.299 9.620 -8.904 1.00 0.00 O ATOM 756 CB PHE A 50 -2.572 9.319 -7.280 1.00 0.00 C ATOM 757 CG PHE A 50 -1.083 9.406 -6.939 1.00 0.00 C ATOM 758 CD1 PHE A 50 -0.173 8.728 -7.688 1.00 0.00 C ATOM 759 CD2 PHE A 50 -0.670 10.161 -5.886 1.00 0.00 C ATOM 760 CE1 PHE A 50 1.208 8.808 -7.372 1.00 0.00 C ATOM 761 CE2 PHE A 50 0.712 10.242 -5.570 1.00 0.00 C ATOM 762 CZ PHE A 50 1.622 9.564 -6.319 1.00 0.00 C ATOM 0 H PHE A 50 -2.919 11.631 -7.771 1.00 0.00 H new ATOM 0 HA PHE A 50 -2.134 9.467 -9.415 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -3.132 9.938 -6.579 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -2.908 8.292 -7.136 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -0.501 8.128 -8.524 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -1.393 10.699 -5.290 1.00 0.00 H new ATOM 0 HE1 PHE A 50 1.930 8.269 -7.967 1.00 0.00 H new ATOM 0 HE2 PHE A 50 1.040 10.842 -4.734 1.00 0.00 H new ATOM 0 HZ PHE A 50 2.673 9.625 -6.078 1.00 0.00 H new ATOM 772 N ARG A 51 -4.072 7.922 -9.756 1.00 0.00 N ATOM 773 CA ARG A 51 -5.227 7.173 -10.220 1.00 0.00 C ATOM 774 C ARG A 51 -5.638 6.132 -9.177 1.00 0.00 C ATOM 775 O ARG A 51 -5.325 4.951 -9.316 1.00 0.00 O ATOM 776 CB ARG A 51 -4.929 6.467 -11.545 1.00 0.00 C ATOM 777 CG ARG A 51 -6.131 5.642 -12.009 1.00 0.00 C ATOM 778 CD ARG A 51 -5.791 4.834 -13.263 1.00 0.00 C ATOM 779 NE ARG A 51 -6.512 5.385 -14.431 1.00 0.00 N ATOM 780 CZ ARG A 51 -6.532 4.810 -15.642 1.00 0.00 C ATOM 781 NH1 ARG A 51 -5.870 3.664 -15.849 1.00 0.00 N ATOM 782 NH2 ARG A 51 -7.213 5.382 -16.644 1.00 0.00 N ATOM 0 H ARG A 51 -3.172 7.481 -9.947 1.00 0.00 H new ATOM 0 HA ARG A 51 -6.042 7.881 -10.373 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -4.675 7.205 -12.305 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -4.061 5.818 -11.428 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -6.443 4.968 -11.211 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -6.973 6.303 -12.215 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -4.716 4.861 -13.443 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -6.063 3.789 -13.117 1.00 0.00 H new ATOM 0 HE ARG A 51 -7.026 6.257 -14.307 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -5.351 3.230 -15.086 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -5.885 3.226 -16.770 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -7.716 6.255 -16.486 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -7.228 4.945 -17.565 1.00 0.00 H new ATOM 796 N VAL A 52 -6.334 6.609 -8.155 1.00 0.00 N ATOM 797 CA VAL A 52 -6.792 5.734 -7.089 1.00 0.00 C ATOM 798 C VAL A 52 -8.048 4.991 -7.549 1.00 0.00 C ATOM 799 O VAL A 52 -8.799 5.491 -8.385 1.00 0.00 O ATOM 800 CB VAL A 52 -7.011 6.541 -5.808 1.00 0.00 C ATOM 801 CG1 VAL A 52 -7.293 5.619 -4.620 1.00 0.00 C ATOM 802 CG2 VAL A 52 -5.815 7.452 -5.523 1.00 0.00 C ATOM 0 H VAL A 52 -6.592 7.590 -8.043 1.00 0.00 H new ATOM 0 HA VAL A 52 -6.036 4.983 -6.860 1.00 0.00 H new ATOM 0 HB VAL A 52 -7.886 7.173 -5.956 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -7.445 6.218 -3.722 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -8.189 5.032 -4.820 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -6.446 4.949 -4.470 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -5.996 8.015 -4.607 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -4.916 6.846 -5.405 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -5.679 8.145 -6.353 1.00 0.00 H new ATOM 812 N GLU A 53 -8.238 3.808 -6.982 1.00 0.00 N ATOM 813 CA GLU A 53 -9.390 2.991 -7.323 1.00 0.00 C ATOM 814 C GLU A 53 -10.166 2.613 -6.060 1.00 0.00 C ATOM 815 O GLU A 53 -9.603 2.583 -4.967 1.00 0.00 O ATOM 816 CB GLU A 53 -8.967 1.744 -8.101 1.00 0.00 C ATOM 817 CG GLU A 53 -8.399 2.118 -9.471 1.00 0.00 C ATOM 818 CD GLU A 53 -9.511 2.207 -10.519 1.00 0.00 C ATOM 819 OE1 GLU A 53 -10.565 2.788 -10.180 1.00 0.00 O ATOM 820 OE2 GLU A 53 -9.281 1.693 -11.635 1.00 0.00 O ATOM 0 H GLU A 53 -7.613 3.396 -6.289 1.00 0.00 H new ATOM 0 HA GLU A 53 -10.047 3.575 -7.967 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -8.219 1.192 -7.532 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -9.824 1.082 -8.227 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -7.879 3.074 -9.405 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -7.663 1.375 -9.779 1.00 0.00 H new ATOM 827 N ASN A 54 -11.447 2.334 -6.252 1.00 0.00 N ATOM 828 CA ASN A 54 -12.306 1.960 -5.141 1.00 0.00 C ATOM 829 C ASN A 54 -12.204 0.450 -4.910 1.00 0.00 C ATOM 830 O ASN A 54 -12.164 -0.005 -3.769 1.00 0.00 O ATOM 831 CB ASN A 54 -13.769 2.295 -5.438 1.00 0.00 C ATOM 832 CG ASN A 54 -14.209 3.549 -4.679 1.00 0.00 C ATOM 833 OD1 ASN A 54 -14.289 4.638 -5.221 1.00 0.00 O ATOM 834 ND2 ASN A 54 -14.489 3.333 -3.396 1.00 0.00 N ATOM 0 H ASN A 54 -11.911 2.359 -7.160 1.00 0.00 H new ATOM 0 HA ASN A 54 -11.981 2.515 -4.261 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -13.900 2.449 -6.509 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -14.403 1.454 -5.157 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -14.792 4.106 -2.803 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -14.401 2.395 -3.006 1.00 0.00 H new ATOM 841 N GLU A 55 -12.166 -0.283 -6.013 1.00 0.00 N ATOM 842 CA GLU A 55 -12.071 -1.731 -5.945 1.00 0.00 C ATOM 843 C GLU A 55 -10.769 -2.208 -6.594 1.00 0.00 C ATOM 844 O GLU A 55 -10.238 -1.549 -7.486 1.00 0.00 O ATOM 845 CB GLU A 55 -13.284 -2.392 -6.602 1.00 0.00 C ATOM 846 CG GLU A 55 -14.554 -2.142 -5.785 1.00 0.00 C ATOM 847 CD GLU A 55 -15.447 -3.384 -5.764 1.00 0.00 C ATOM 848 OE1 GLU A 55 -14.875 -4.492 -5.675 1.00 0.00 O ATOM 849 OE2 GLU A 55 -16.680 -3.197 -5.839 1.00 0.00 O ATOM 0 H GLU A 55 -12.199 0.099 -6.958 1.00 0.00 H new ATOM 0 HA GLU A 55 -12.062 -2.026 -4.896 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -13.414 -2.001 -7.611 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -13.112 -3.464 -6.695 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -14.286 -1.865 -4.765 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -15.104 -1.302 -6.209 1.00 0.00 H new ATOM 856 N LEU A 56 -10.293 -3.350 -6.119 1.00 0.00 N ATOM 857 CA LEU A 56 -9.064 -3.923 -6.642 1.00 0.00 C ATOM 858 C LEU A 56 -9.284 -4.354 -8.093 1.00 0.00 C ATOM 859 O LEU A 56 -10.224 -5.089 -8.391 1.00 0.00 O ATOM 860 CB LEU A 56 -8.570 -5.050 -5.733 1.00 0.00 C ATOM 861 CG LEU A 56 -7.243 -5.699 -6.131 1.00 0.00 C ATOM 862 CD1 LEU A 56 -7.432 -7.183 -6.452 1.00 0.00 C ATOM 863 CD2 LEU A 56 -6.587 -4.942 -7.287 1.00 0.00 C ATOM 0 H LEU A 56 -10.736 -3.894 -5.378 1.00 0.00 H new ATOM 0 HA LEU A 56 -8.268 -3.178 -6.648 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -8.470 -4.657 -4.721 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -9.335 -5.825 -5.700 1.00 0.00 H new ATOM 0 HG LEU A 56 -6.565 -5.638 -5.280 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -6.473 -7.620 -6.732 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -7.823 -7.698 -5.575 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -8.134 -7.290 -7.279 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -5.646 -5.424 -7.550 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -7.252 -4.949 -8.151 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -6.395 -3.912 -6.985 1.00 0.00 H new ATOM 875 N SER A 57 -8.400 -3.878 -8.958 1.00 0.00 N ATOM 876 CA SER A 57 -8.486 -4.204 -10.372 1.00 0.00 C ATOM 877 C SER A 57 -7.111 -4.620 -10.897 1.00 0.00 C ATOM 878 O SER A 57 -6.153 -4.718 -10.131 1.00 0.00 O ATOM 879 CB SER A 57 -9.027 -3.023 -11.179 1.00 0.00 C ATOM 880 OG SER A 57 -8.504 -1.779 -10.720 1.00 0.00 O ATOM 0 H SER A 57 -7.621 -3.269 -8.707 1.00 0.00 H new ATOM 0 HA SER A 57 -9.180 -5.036 -10.489 1.00 0.00 H new ATOM 0 HB2 SER A 57 -8.774 -3.157 -12.231 1.00 0.00 H new ATOM 0 HB3 SER A 57 -10.115 -3.006 -11.112 1.00 0.00 H new ATOM 0 HG SER A 57 -8.872 -1.050 -11.262 1.00 0.00 H new ATOM 886 N ASP A 58 -7.056 -4.854 -12.200 1.00 0.00 N ATOM 887 CA ASP A 58 -5.814 -5.257 -12.836 1.00 0.00 C ATOM 888 C ASP A 58 -4.943 -4.022 -13.074 1.00 0.00 C ATOM 889 O ASP A 58 -3.731 -4.137 -13.251 1.00 0.00 O ATOM 890 CB ASP A 58 -6.078 -5.917 -14.191 1.00 0.00 C ATOM 891 CG ASP A 58 -6.125 -4.956 -15.380 1.00 0.00 C ATOM 892 OD1 ASP A 58 -7.208 -4.369 -15.593 1.00 0.00 O ATOM 893 OD2 ASP A 58 -5.077 -4.829 -16.050 1.00 0.00 O ATOM 0 H ASP A 58 -7.852 -4.772 -12.832 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.315 -5.969 -12.179 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.301 -6.660 -14.374 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -7.026 -6.453 -14.139 1.00 0.00 H new ATOM 898 N SER A 59 -5.595 -2.869 -13.070 1.00 0.00 N ATOM 899 CA SER A 59 -4.895 -1.613 -13.283 1.00 0.00 C ATOM 900 C SER A 59 -4.128 -1.220 -12.019 1.00 0.00 C ATOM 901 O SER A 59 -3.233 -0.378 -12.068 1.00 0.00 O ATOM 902 CB SER A 59 -5.868 -0.501 -13.681 1.00 0.00 C ATOM 903 OG SER A 59 -6.384 -0.689 -14.996 1.00 0.00 O ATOM 0 H SER A 59 -6.600 -2.778 -12.923 1.00 0.00 H new ATOM 0 HA SER A 59 -4.188 -1.750 -14.101 1.00 0.00 H new ATOM 0 HB2 SER A 59 -6.693 -0.469 -12.969 1.00 0.00 H new ATOM 0 HB3 SER A 59 -5.361 0.462 -13.625 1.00 0.00 H new ATOM 0 HG SER A 59 -7.002 0.040 -15.212 1.00 0.00 H new ATOM 909 N VAL A 60 -4.508 -1.849 -10.916 1.00 0.00 N ATOM 910 CA VAL A 60 -3.868 -1.575 -9.640 1.00 0.00 C ATOM 911 C VAL A 60 -2.412 -2.043 -9.695 1.00 0.00 C ATOM 912 O VAL A 60 -2.144 -3.235 -9.839 1.00 0.00 O ATOM 913 CB VAL A 60 -4.662 -2.225 -8.506 1.00 0.00 C ATOM 914 CG1 VAL A 60 -3.853 -2.238 -7.207 1.00 0.00 C ATOM 915 CG2 VAL A 60 -6.007 -1.524 -8.307 1.00 0.00 C ATOM 0 H VAL A 60 -5.251 -2.547 -10.880 1.00 0.00 H new ATOM 0 HA VAL A 60 -3.859 -0.504 -9.439 1.00 0.00 H new ATOM 0 HB VAL A 60 -4.861 -3.259 -8.787 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.441 -2.706 -6.417 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -2.933 -2.803 -7.357 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.609 -1.215 -6.920 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -6.552 -2.006 -7.495 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -5.838 -0.476 -8.059 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.591 -1.590 -9.225 1.00 0.00 H new ATOM 925 N THR A 61 -1.510 -1.079 -9.577 1.00 0.00 N ATOM 926 CA THR A 61 -0.088 -1.378 -9.612 1.00 0.00 C ATOM 927 C THR A 61 0.526 -1.207 -8.221 1.00 0.00 C ATOM 928 O THR A 61 1.581 -1.770 -7.931 1.00 0.00 O ATOM 929 CB THR A 61 0.557 -0.485 -10.674 1.00 0.00 C ATOM 930 OG1 THR A 61 0.270 0.840 -10.235 1.00 0.00 O ATOM 931 CG2 THR A 61 -0.144 -0.589 -12.030 1.00 0.00 C ATOM 0 H THR A 61 -1.736 -0.092 -9.457 1.00 0.00 H new ATOM 0 HA THR A 61 0.091 -2.417 -9.888 1.00 0.00 H new ATOM 0 HB THR A 61 1.607 -0.755 -10.787 1.00 0.00 H new ATOM 0 HG1 THR A 61 0.575 0.951 -9.310 1.00 0.00 H new ATOM 0 HG21 THR A 61 0.353 0.064 -12.747 1.00 0.00 H new ATOM 0 HG22 THR A 61 -0.099 -1.619 -12.385 1.00 0.00 H new ATOM 0 HG23 THR A 61 -1.186 -0.287 -11.925 1.00 0.00 H new ATOM 939 N HIS A 62 -0.160 -0.428 -7.397 1.00 0.00 N ATOM 940 CA HIS A 62 0.305 -0.177 -6.044 1.00 0.00 C ATOM 941 C HIS A 62 -0.866 -0.300 -5.068 1.00 0.00 C ATOM 942 O HIS A 62 -1.863 0.409 -5.195 1.00 0.00 O ATOM 943 CB HIS A 62 1.011 1.178 -5.955 1.00 0.00 C ATOM 944 CG HIS A 62 1.966 1.449 -7.093 1.00 0.00 C ATOM 945 ND1 HIS A 62 1.594 2.134 -8.236 1.00 0.00 N ATOM 946 CD2 HIS A 62 3.281 1.122 -7.250 1.00 0.00 C ATOM 947 CE1 HIS A 62 2.646 2.209 -9.039 1.00 0.00 C ATOM 948 NE2 HIS A 62 3.689 1.580 -8.426 1.00 0.00 N ATOM 0 H HIS A 62 -1.034 0.037 -7.641 1.00 0.00 H new ATOM 0 HA HIS A 62 1.046 -0.927 -5.765 1.00 0.00 H new ATOM 0 HB2 HIS A 62 0.259 1.967 -5.930 1.00 0.00 H new ATOM 0 HB3 HIS A 62 1.559 1.229 -5.014 1.00 0.00 H new ATOM 0 HD2 HIS A 62 3.887 0.582 -6.538 1.00 0.00 H new ATOM 0 HE1 HIS A 62 2.672 2.685 -10.008 1.00 0.00 H new ATOM 0 HE2 HIS A 62 4.629 1.478 -8.809 1.00 0.00 H new ATOM 956 N ILE A 63 -0.707 -1.207 -4.114 1.00 0.00 N ATOM 957 CA ILE A 63 -1.739 -1.433 -3.117 1.00 0.00 C ATOM 958 C ILE A 63 -1.280 -0.858 -1.775 1.00 0.00 C ATOM 959 O ILE A 63 -0.217 -1.219 -1.273 1.00 0.00 O ATOM 960 CB ILE A 63 -2.110 -2.916 -3.056 1.00 0.00 C ATOM 961 CG1 ILE A 63 -2.989 -3.310 -4.245 1.00 0.00 C ATOM 962 CG2 ILE A 63 -2.766 -3.262 -1.718 1.00 0.00 C ATOM 963 CD1 ILE A 63 -3.273 -4.813 -4.242 1.00 0.00 C ATOM 0 H ILE A 63 0.121 -1.793 -4.011 1.00 0.00 H new ATOM 0 HA ILE A 63 -2.655 -0.910 -3.392 1.00 0.00 H new ATOM 0 HB ILE A 63 -1.193 -3.501 -3.126 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -3.928 -2.759 -4.206 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -2.494 -3.032 -5.176 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -3.020 -4.322 -1.701 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -2.074 -3.041 -0.906 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -3.672 -2.670 -1.593 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.900 -5.067 -5.097 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -2.333 -5.361 -4.306 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -3.789 -5.084 -3.321 1.00 0.00 H new ATOM 975 N VAL A 64 -2.104 0.026 -1.233 1.00 0.00 N ATOM 976 CA VAL A 64 -1.796 0.654 0.041 1.00 0.00 C ATOM 977 C VAL A 64 -2.525 -0.090 1.161 1.00 0.00 C ATOM 978 O VAL A 64 -3.694 -0.445 1.017 1.00 0.00 O ATOM 979 CB VAL A 64 -2.143 2.143 -0.012 1.00 0.00 C ATOM 980 CG1 VAL A 64 -1.804 2.833 1.311 1.00 0.00 C ATOM 981 CG2 VAL A 64 -1.439 2.829 -1.185 1.00 0.00 C ATOM 0 H VAL A 64 -2.985 0.323 -1.653 1.00 0.00 H new ATOM 0 HA VAL A 64 -0.728 0.590 0.250 1.00 0.00 H new ATOM 0 HB VAL A 64 -3.218 2.231 -0.169 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -2.061 3.890 1.246 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -2.372 2.371 2.118 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -0.738 2.730 1.512 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -1.703 3.886 -1.200 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -0.360 2.726 -1.072 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -1.752 2.364 -2.120 1.00 0.00 H new ATOM 991 N ALA A 65 -1.805 -0.305 2.252 1.00 0.00 N ATOM 992 CA ALA A 65 -2.368 -1.001 3.396 1.00 0.00 C ATOM 993 C ALA A 65 -1.593 -0.613 4.656 1.00 0.00 C ATOM 994 O ALA A 65 -0.369 -0.498 4.626 1.00 0.00 O ATOM 995 CB ALA A 65 -2.345 -2.509 3.139 1.00 0.00 C ATOM 0 H ALA A 65 -0.836 -0.009 2.368 1.00 0.00 H new ATOM 0 HA ALA A 65 -3.408 -0.712 3.547 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -2.767 -3.031 3.998 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -2.934 -2.736 2.251 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -1.317 -2.836 2.985 1.00 0.00 H new ATOM 1001 N GLU A 66 -2.338 -0.421 5.735 1.00 0.00 N ATOM 1002 CA GLU A 66 -1.736 -0.047 7.004 1.00 0.00 C ATOM 1003 C GLU A 66 -1.633 -1.267 7.922 1.00 0.00 C ATOM 1004 O GLU A 66 -2.572 -2.055 8.021 1.00 0.00 O ATOM 1005 CB GLU A 66 -2.525 1.078 7.675 1.00 0.00 C ATOM 1006 CG GLU A 66 -1.687 1.768 8.753 1.00 0.00 C ATOM 1007 CD GLU A 66 -2.474 2.900 9.419 1.00 0.00 C ATOM 1008 OE1 GLU A 66 -3.695 2.708 9.606 1.00 0.00 O ATOM 1009 OE2 GLU A 66 -1.836 3.930 9.725 1.00 0.00 O ATOM 0 H GLU A 66 -3.353 -0.517 5.757 1.00 0.00 H new ATOM 0 HA GLU A 66 -0.730 0.325 6.811 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -2.833 1.808 6.926 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -3.435 0.674 8.119 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -1.384 1.039 9.505 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -0.774 2.167 8.310 1.00 0.00 H new ATOM 1016 N ASN A 67 -0.483 -1.385 8.569 1.00 0.00 N ATOM 1017 CA ASN A 67 -0.244 -2.496 9.475 1.00 0.00 C ATOM 1018 C ASN A 67 -0.060 -3.780 8.664 1.00 0.00 C ATOM 1019 O ASN A 67 0.985 -4.423 8.743 1.00 0.00 O ATOM 1020 CB ASN A 67 -1.430 -2.700 10.420 1.00 0.00 C ATOM 1021 CG ASN A 67 -1.009 -2.509 11.878 1.00 0.00 C ATOM 1022 OD1 ASN A 67 -0.155 -3.206 12.401 1.00 0.00 O ATOM 1023 ND2 ASN A 67 -1.653 -1.527 12.503 1.00 0.00 N ATOM 0 H ASN A 67 0.294 -0.729 8.484 1.00 0.00 H new ATOM 0 HA ASN A 67 0.648 -2.269 10.059 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -2.223 -1.995 10.171 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -1.840 -3.701 10.284 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -1.443 -1.319 13.479 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -2.357 -0.982 12.006 1.00 0.00 H new ATOM 1030 N ASN A 68 -1.091 -4.114 7.903 1.00 0.00 N ATOM 1031 CA ASN A 68 -1.056 -5.310 7.078 1.00 0.00 C ATOM 1032 C ASN A 68 0.306 -5.408 6.387 1.00 0.00 C ATOM 1033 O ASN A 68 0.818 -4.414 5.874 1.00 0.00 O ATOM 1034 CB ASN A 68 -2.134 -5.263 5.993 1.00 0.00 C ATOM 1035 CG ASN A 68 -3.502 -5.643 6.563 1.00 0.00 C ATOM 1036 OD1 ASN A 68 -4.425 -4.694 6.433 1.00 0.00 O flip ATOM 1037 ND2 ASN A 68 -3.706 -6.726 7.085 1.00 0.00 N flip ATOM 0 H ASN A 68 -1.956 -3.578 7.840 1.00 0.00 H new ATOM 0 HA ASN A 68 -1.232 -6.170 7.724 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -2.180 -4.262 5.564 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -1.871 -5.945 5.184 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -2.952 -7.410 7.152 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -4.630 -6.948 7.454 1.00 0.00 H new ATOM 1044 N SER A 69 0.853 -6.614 6.396 1.00 0.00 N ATOM 1045 CA SER A 69 2.145 -6.855 5.777 1.00 0.00 C ATOM 1046 C SER A 69 1.953 -7.435 4.374 1.00 0.00 C ATOM 1047 O SER A 69 0.928 -8.051 4.088 1.00 0.00 O ATOM 1048 CB SER A 69 2.997 -7.798 6.629 1.00 0.00 C ATOM 1049 OG SER A 69 3.125 -7.335 7.971 1.00 0.00 O ATOM 0 H SER A 69 0.425 -7.436 6.823 1.00 0.00 H new ATOM 0 HA SER A 69 2.671 -5.903 5.701 1.00 0.00 H new ATOM 0 HB2 SER A 69 2.548 -8.791 6.629 1.00 0.00 H new ATOM 0 HB3 SER A 69 3.987 -7.895 6.183 1.00 0.00 H new ATOM 0 HG SER A 69 3.674 -7.965 8.483 1.00 0.00 H new ATOM 1055 N GLY A 70 2.956 -7.217 3.536 1.00 0.00 N ATOM 1056 CA GLY A 70 2.911 -7.710 2.170 1.00 0.00 C ATOM 1057 C GLY A 70 2.250 -9.089 2.107 1.00 0.00 C ATOM 1058 O GLY A 70 1.513 -9.385 1.168 1.00 0.00 O ATOM 0 H GLY A 70 3.805 -6.705 3.777 1.00 0.00 H new ATOM 0 HA2 GLY A 70 2.359 -7.009 1.544 1.00 0.00 H new ATOM 0 HA3 GLY A 70 3.922 -7.768 1.767 1.00 0.00 H new ATOM 1062 N SER A 71 2.538 -9.895 3.118 1.00 0.00 N ATOM 1063 CA SER A 71 1.981 -11.235 3.189 1.00 0.00 C ATOM 1064 C SER A 71 0.466 -11.162 3.391 1.00 0.00 C ATOM 1065 O SER A 71 -0.293 -11.787 2.651 1.00 0.00 O ATOM 1066 CB SER A 71 2.628 -12.041 4.317 1.00 0.00 C ATOM 1067 OG SER A 71 2.444 -11.424 5.588 1.00 0.00 O ATOM 0 H SER A 71 3.150 -9.646 3.895 1.00 0.00 H new ATOM 0 HA SER A 71 2.192 -11.743 2.248 1.00 0.00 H new ATOM 0 HB2 SER A 71 2.202 -13.044 4.336 1.00 0.00 H new ATOM 0 HB3 SER A 71 3.694 -12.151 4.118 1.00 0.00 H new ATOM 0 HG SER A 71 2.870 -11.970 6.281 1.00 0.00 H new ATOM 1073 N ASP A 72 0.071 -10.394 4.395 1.00 0.00 N ATOM 1074 CA ASP A 72 -1.340 -10.231 4.703 1.00 0.00 C ATOM 1075 C ASP A 72 -2.086 -9.795 3.440 1.00 0.00 C ATOM 1076 O ASP A 72 -3.124 -10.361 3.101 1.00 0.00 O ATOM 1077 CB ASP A 72 -1.550 -9.156 5.771 1.00 0.00 C ATOM 1078 CG ASP A 72 -1.196 -9.583 7.197 1.00 0.00 C ATOM 1079 OD1 ASP A 72 -1.213 -10.809 7.443 1.00 0.00 O ATOM 1080 OD2 ASP A 72 -0.915 -8.675 8.008 1.00 0.00 O ATOM 0 H ASP A 72 0.703 -9.877 5.006 1.00 0.00 H new ATOM 0 HA ASP A 72 -1.717 -11.185 5.072 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -0.951 -8.284 5.510 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -2.594 -8.843 5.750 1.00 0.00 H new ATOM 1085 N VAL A 73 -1.528 -8.792 2.778 1.00 0.00 N ATOM 1086 CA VAL A 73 -2.127 -8.273 1.561 1.00 0.00 C ATOM 1087 C VAL A 73 -2.136 -9.370 0.494 1.00 0.00 C ATOM 1088 O VAL A 73 -3.143 -9.576 -0.181 1.00 0.00 O ATOM 1089 CB VAL A 73 -1.391 -7.009 1.112 1.00 0.00 C ATOM 1090 CG1 VAL A 73 -2.018 -6.432 -0.159 1.00 0.00 C ATOM 1091 CG2 VAL A 73 -1.359 -5.967 2.231 1.00 0.00 C ATOM 0 H VAL A 73 -0.667 -8.325 3.062 1.00 0.00 H new ATOM 0 HA VAL A 73 -3.163 -7.984 1.739 1.00 0.00 H new ATOM 0 HB VAL A 73 -0.362 -7.284 0.882 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -1.476 -5.534 -0.457 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -1.964 -7.170 -0.959 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -3.061 -6.180 0.032 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -0.830 -5.079 1.886 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -2.379 -5.698 2.507 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -0.845 -6.381 3.099 1.00 0.00 H new ATOM 1101 N LEU A 74 -1.003 -10.046 0.377 1.00 0.00 N ATOM 1102 CA LEU A 74 -0.867 -11.117 -0.596 1.00 0.00 C ATOM 1103 C LEU A 74 -2.007 -12.120 -0.406 1.00 0.00 C ATOM 1104 O LEU A 74 -2.835 -12.301 -1.297 1.00 0.00 O ATOM 1105 CB LEU A 74 0.526 -11.745 -0.511 1.00 0.00 C ATOM 1106 CG LEU A 74 1.570 -11.194 -1.485 1.00 0.00 C ATOM 1107 CD1 LEU A 74 2.965 -11.723 -1.148 1.00 0.00 C ATOM 1108 CD2 LEU A 74 1.178 -11.490 -2.934 1.00 0.00 C ATOM 0 H LEU A 74 -0.170 -9.873 0.940 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.953 -10.725 -1.609 1.00 0.00 H new ATOM 0 HB2 LEU A 74 0.900 -11.614 0.504 1.00 0.00 H new ATOM 0 HB3 LEU A 74 0.430 -12.818 -0.680 1.00 0.00 H new ATOM 0 HG LEU A 74 1.602 -10.110 -1.376 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.689 -11.317 -1.855 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.235 -11.419 -0.137 1.00 0.00 H new ATOM 0 HD13 LEU A 74 2.967 -12.811 -1.212 1.00 0.00 H new ATOM 0 HD21 LEU A 74 1.937 -11.088 -3.606 1.00 0.00 H new ATOM 0 HD22 LEU A 74 1.101 -12.568 -3.077 1.00 0.00 H new ATOM 0 HD23 LEU A 74 0.217 -11.025 -3.153 1.00 0.00 H new ATOM 1120 N GLU A 75 -2.012 -12.746 0.762 1.00 0.00 N ATOM 1121 CA GLU A 75 -3.036 -13.726 1.081 1.00 0.00 C ATOM 1122 C GLU A 75 -4.418 -13.197 0.691 1.00 0.00 C ATOM 1123 O GLU A 75 -5.263 -13.951 0.210 1.00 0.00 O ATOM 1124 CB GLU A 75 -2.993 -14.103 2.563 1.00 0.00 C ATOM 1125 CG GLU A 75 -1.630 -14.688 2.940 1.00 0.00 C ATOM 1126 CD GLU A 75 -1.789 -16.029 3.659 1.00 0.00 C ATOM 1127 OE1 GLU A 75 -2.103 -17.015 2.958 1.00 0.00 O ATOM 1128 OE2 GLU A 75 -1.592 -16.037 4.894 1.00 0.00 O ATOM 0 H GLU A 75 -1.323 -12.593 1.499 1.00 0.00 H new ATOM 0 HA GLU A 75 -2.837 -14.629 0.504 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -3.196 -13.222 3.172 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -3.777 -14.828 2.780 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -1.027 -14.822 2.042 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -1.095 -13.988 3.582 1.00 0.00 H new ATOM 1135 N TRP A 76 -4.605 -11.904 0.911 1.00 0.00 N ATOM 1136 CA TRP A 76 -5.869 -11.265 0.588 1.00 0.00 C ATOM 1137 C TRP A 76 -5.996 -11.210 -0.935 1.00 0.00 C ATOM 1138 O TRP A 76 -7.055 -11.509 -1.485 1.00 0.00 O ATOM 1139 CB TRP A 76 -5.971 -9.887 1.246 1.00 0.00 C ATOM 1140 CG TRP A 76 -7.066 -8.995 0.657 1.00 0.00 C ATOM 1141 CD1 TRP A 76 -8.298 -8.776 1.136 1.00 0.00 C ATOM 1142 CD2 TRP A 76 -6.976 -8.207 -0.548 1.00 0.00 C ATOM 1143 NE1 TRP A 76 -9.006 -7.907 0.330 1.00 0.00 N ATOM 1144 CE2 TRP A 76 -8.176 -7.550 -0.726 1.00 0.00 C ATOM 1145 CE3 TRP A 76 -5.915 -8.053 -1.458 1.00 0.00 C ATOM 1146 CZ2 TRP A 76 -8.430 -6.695 -1.806 1.00 0.00 C ATOM 1147 CZ3 TRP A 76 -6.184 -7.196 -2.532 1.00 0.00 C ATOM 1148 CH2 TRP A 76 -7.388 -6.527 -2.725 1.00 0.00 C ATOM 0 H TRP A 76 -3.902 -11.281 1.309 1.00 0.00 H new ATOM 0 HA TRP A 76 -6.704 -11.841 0.986 1.00 0.00 H new ATOM 0 HB2 TRP A 76 -6.158 -10.018 2.312 1.00 0.00 H new ATOM 0 HB3 TRP A 76 -5.012 -9.378 1.150 1.00 0.00 H new ATOM 0 HD1 TRP A 76 -8.688 -9.223 2.039 1.00 0.00 H new ATOM 0 HE1 TRP A 76 -9.962 -7.586 0.482 1.00 0.00 H new ATOM 0 HE3 TRP A 76 -4.967 -8.556 -1.338 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 -9.379 -6.193 -1.923 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 -5.402 -7.044 -3.261 1.00 0.00 H new ATOM 0 HH2 TRP A 76 -7.518 -5.881 -3.580 1.00 0.00 H new ATOM 1159 N LEU A 77 -4.901 -10.827 -1.575 1.00 0.00 N ATOM 1160 CA LEU A 77 -4.876 -10.729 -3.025 1.00 0.00 C ATOM 1161 C LEU A 77 -5.441 -12.017 -3.628 1.00 0.00 C ATOM 1162 O LEU A 77 -6.300 -11.970 -4.508 1.00 0.00 O ATOM 1163 CB LEU A 77 -3.468 -10.387 -3.515 1.00 0.00 C ATOM 1164 CG LEU A 77 -3.229 -8.926 -3.902 1.00 0.00 C ATOM 1165 CD1 LEU A 77 -1.786 -8.511 -3.610 1.00 0.00 C ATOM 1166 CD2 LEU A 77 -3.614 -8.675 -5.361 1.00 0.00 C ATOM 0 H LEU A 77 -4.024 -10.581 -1.116 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.513 -9.911 -3.363 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.757 -10.656 -2.733 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.244 -11.012 -4.379 1.00 0.00 H new ATOM 0 HG LEU A 77 -3.875 -8.300 -3.287 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -1.643 -7.468 -3.894 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.582 -8.628 -2.546 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.104 -9.140 -4.182 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -3.434 -7.629 -5.610 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.013 -9.311 -6.011 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -4.670 -8.906 -5.504 1.00 0.00 H new ATOM 1178 N GLN A 78 -4.937 -13.137 -3.130 1.00 0.00 N ATOM 1179 CA GLN A 78 -5.381 -14.435 -3.609 1.00 0.00 C ATOM 1180 C GLN A 78 -6.824 -14.697 -3.172 1.00 0.00 C ATOM 1181 O GLN A 78 -7.567 -15.396 -3.859 1.00 0.00 O ATOM 1182 CB GLN A 78 -4.450 -15.546 -3.121 1.00 0.00 C ATOM 1183 CG GLN A 78 -3.041 -15.372 -3.692 1.00 0.00 C ATOM 1184 CD GLN A 78 -2.376 -16.728 -3.936 1.00 0.00 C ATOM 1185 OE1 GLN A 78 -3.022 -17.761 -4.009 1.00 0.00 O ATOM 1186 NE2 GLN A 78 -1.053 -16.668 -4.057 1.00 0.00 N ATOM 0 H GLN A 78 -4.226 -13.172 -2.400 1.00 0.00 H new ATOM 0 HA GLN A 78 -5.348 -14.430 -4.698 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -4.408 -15.538 -2.032 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -4.849 -16.516 -3.418 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -3.090 -14.814 -4.627 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -2.435 -14.785 -3.002 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -0.575 -15.770 -3.985 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -0.517 -17.520 -4.221 1.00 0.00 H new ATOM 1195 N ALA A 79 -7.177 -14.122 -2.031 1.00 0.00 N ATOM 1196 CA ALA A 79 -8.517 -14.285 -1.495 1.00 0.00 C ATOM 1197 C ALA A 79 -9.520 -13.598 -2.424 1.00 0.00 C ATOM 1198 O ALA A 79 -10.620 -14.105 -2.639 1.00 0.00 O ATOM 1199 CB ALA A 79 -8.567 -13.729 -0.070 1.00 0.00 C ATOM 0 H ALA A 79 -6.558 -13.543 -1.464 1.00 0.00 H new ATOM 0 HA ALA A 79 -8.785 -15.340 -1.443 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -9.572 -13.851 0.333 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -7.857 -14.269 0.556 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -8.307 -12.670 -0.083 1.00 0.00 H new ATOM 1205 N GLN A 80 -9.105 -12.455 -2.949 1.00 0.00 N ATOM 1206 CA GLN A 80 -9.954 -11.694 -3.850 1.00 0.00 C ATOM 1207 C GLN A 80 -10.271 -12.515 -5.102 1.00 0.00 C ATOM 1208 O GLN A 80 -9.544 -13.450 -5.435 1.00 0.00 O ATOM 1209 CB GLN A 80 -9.304 -10.359 -4.220 1.00 0.00 C ATOM 1210 CG GLN A 80 -8.972 -9.546 -2.967 1.00 0.00 C ATOM 1211 CD GLN A 80 -10.061 -9.705 -1.905 1.00 0.00 C ATOM 1212 OE1 GLN A 80 -9.729 -10.521 -0.908 1.00 0.00 O flip ATOM 1213 NE2 GLN A 80 -11.132 -9.126 -1.985 1.00 0.00 N flip ATOM 0 H GLN A 80 -8.192 -12.037 -2.768 1.00 0.00 H new ATOM 0 HA GLN A 80 -10.890 -11.475 -3.336 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -8.394 -10.540 -4.793 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -9.976 -9.788 -4.861 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -8.014 -9.871 -2.562 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -8.866 -8.493 -3.230 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -11.322 -8.513 -2.778 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -11.837 -9.255 -1.259 1.00 0.00 H new ATOM 1222 N LYS A 81 -11.356 -12.135 -5.761 1.00 0.00 N ATOM 1223 CA LYS A 81 -11.777 -12.825 -6.969 1.00 0.00 C ATOM 1224 C LYS A 81 -11.286 -12.048 -8.192 1.00 0.00 C ATOM 1225 O LYS A 81 -11.378 -12.534 -9.318 1.00 0.00 O ATOM 1226 CB LYS A 81 -13.289 -13.056 -6.954 1.00 0.00 C ATOM 1227 CG LYS A 81 -13.719 -13.793 -5.683 1.00 0.00 C ATOM 1228 CD LYS A 81 -14.775 -14.855 -5.996 1.00 0.00 C ATOM 1229 CE LYS A 81 -15.227 -15.571 -4.721 1.00 0.00 C ATOM 1230 NZ LYS A 81 -16.484 -14.979 -4.213 1.00 0.00 N ATOM 0 H LYS A 81 -11.956 -11.359 -5.482 1.00 0.00 H new ATOM 0 HA LYS A 81 -11.327 -13.816 -7.018 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -13.807 -12.099 -7.017 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -13.581 -13.635 -7.830 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -12.852 -14.263 -5.220 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -14.118 -13.080 -4.962 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -15.633 -14.388 -6.479 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -14.369 -15.581 -6.700 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -15.374 -16.632 -4.925 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -14.450 -15.497 -3.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -16.777 -15.476 -3.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -16.332 -13.973 -4.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -17.228 -15.072 -4.934 1.00 0.00 H new ATOM 1244 N VAL A 82 -10.774 -10.855 -7.929 1.00 0.00 N ATOM 1245 CA VAL A 82 -10.268 -10.006 -8.995 1.00 0.00 C ATOM 1246 C VAL A 82 -8.802 -10.353 -9.264 1.00 0.00 C ATOM 1247 O VAL A 82 -7.918 -9.961 -8.503 1.00 0.00 O ATOM 1248 CB VAL A 82 -10.478 -8.534 -8.636 1.00 0.00 C ATOM 1249 CG1 VAL A 82 -10.537 -8.342 -7.119 1.00 0.00 C ATOM 1250 CG2 VAL A 82 -9.390 -7.657 -9.258 1.00 0.00 C ATOM 0 H VAL A 82 -10.698 -10.456 -6.993 1.00 0.00 H new ATOM 0 HA VAL A 82 -10.819 -10.183 -9.919 1.00 0.00 H new ATOM 0 HB VAL A 82 -11.437 -8.222 -9.050 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -10.687 -7.287 -6.891 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -11.364 -8.922 -6.711 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -9.602 -8.680 -6.673 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -9.563 -6.615 -8.987 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -8.414 -7.971 -8.888 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -9.417 -7.759 -10.343 1.00 0.00 H new ATOM 1260 N GLN A 83 -8.590 -11.083 -10.349 1.00 0.00 N ATOM 1261 CA GLN A 83 -7.246 -11.486 -10.728 1.00 0.00 C ATOM 1262 C GLN A 83 -6.489 -10.304 -11.336 1.00 0.00 C ATOM 1263 O GLN A 83 -6.461 -10.141 -12.555 1.00 0.00 O ATOM 1264 CB GLN A 83 -7.282 -12.671 -11.696 1.00 0.00 C ATOM 1265 CG GLN A 83 -8.065 -13.842 -11.100 1.00 0.00 C ATOM 1266 CD GLN A 83 -8.425 -14.866 -12.178 1.00 0.00 C ATOM 1267 OE1 GLN A 83 -7.598 -15.291 -12.968 1.00 0.00 O ATOM 1268 NE2 GLN A 83 -9.702 -15.237 -12.167 1.00 0.00 N ATOM 0 H GLN A 83 -9.326 -11.406 -10.977 1.00 0.00 H new ATOM 0 HA GLN A 83 -6.717 -11.808 -9.831 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -7.740 -12.363 -12.636 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -6.265 -12.988 -11.926 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -7.472 -14.322 -10.321 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -8.974 -13.472 -10.626 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -10.342 -14.842 -11.478 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -10.042 -15.917 -12.848 1.00 0.00 H new ATOM 1277 N VAL A 84 -5.893 -9.510 -10.459 1.00 0.00 N ATOM 1278 CA VAL A 84 -5.138 -8.347 -10.894 1.00 0.00 C ATOM 1279 C VAL A 84 -4.340 -8.704 -12.150 1.00 0.00 C ATOM 1280 O VAL A 84 -4.098 -7.848 -13.000 1.00 0.00 O ATOM 1281 CB VAL A 84 -4.256 -7.838 -9.751 1.00 0.00 C ATOM 1282 CG1 VAL A 84 -3.160 -8.850 -9.412 1.00 0.00 C ATOM 1283 CG2 VAL A 84 -3.657 -6.472 -10.088 1.00 0.00 C ATOM 0 H VAL A 84 -5.918 -9.649 -9.449 1.00 0.00 H new ATOM 0 HA VAL A 84 -5.811 -7.531 -11.156 1.00 0.00 H new ATOM 0 HB VAL A 84 -4.885 -7.719 -8.869 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -2.548 -8.464 -8.597 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -3.616 -9.792 -9.108 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -2.534 -9.016 -10.289 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -3.035 -6.133 -9.260 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.049 -6.554 -10.989 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -4.460 -5.754 -10.256 1.00 0.00 H new ATOM 1293 N SER A 85 -3.955 -9.969 -12.229 1.00 0.00 N ATOM 1294 CA SER A 85 -3.190 -10.449 -13.367 1.00 0.00 C ATOM 1295 C SER A 85 -1.701 -10.172 -13.151 1.00 0.00 C ATOM 1296 O SER A 85 -0.850 -10.899 -13.662 1.00 0.00 O ATOM 1297 CB SER A 85 -3.668 -9.798 -14.666 1.00 0.00 C ATOM 1298 OG SER A 85 -3.526 -10.669 -15.784 1.00 0.00 O ATOM 0 H SER A 85 -4.159 -10.677 -11.523 1.00 0.00 H new ATOM 0 HA SER A 85 -3.344 -11.525 -13.453 1.00 0.00 H new ATOM 0 HB2 SER A 85 -4.714 -9.508 -14.563 1.00 0.00 H new ATOM 0 HB3 SER A 85 -3.100 -8.885 -14.844 1.00 0.00 H new ATOM 0 HG SER A 85 -3.844 -10.217 -16.593 1.00 0.00 H new ATOM 1304 N SER A 86 -1.431 -9.119 -12.394 1.00 0.00 N ATOM 1305 CA SER A 86 -0.059 -8.737 -12.105 1.00 0.00 C ATOM 1306 C SER A 86 0.062 -8.286 -10.648 1.00 0.00 C ATOM 1307 O SER A 86 -0.631 -7.365 -10.219 1.00 0.00 O ATOM 1308 CB SER A 86 0.413 -7.626 -13.045 1.00 0.00 C ATOM 1309 OG SER A 86 1.767 -7.256 -12.796 1.00 0.00 O ATOM 0 H SER A 86 -2.139 -8.518 -11.972 1.00 0.00 H new ATOM 0 HA SER A 86 0.579 -9.606 -12.264 1.00 0.00 H new ATOM 0 HB2 SER A 86 0.312 -7.958 -14.078 1.00 0.00 H new ATOM 0 HB3 SER A 86 -0.229 -6.753 -12.926 1.00 0.00 H new ATOM 0 HG SER A 86 2.032 -6.546 -13.417 1.00 0.00 H new ATOM 1315 N GLN A 87 0.948 -8.957 -9.926 1.00 0.00 N ATOM 1316 CA GLN A 87 1.169 -8.637 -8.526 1.00 0.00 C ATOM 1317 C GLN A 87 1.498 -7.151 -8.367 1.00 0.00 C ATOM 1318 O GLN A 87 2.548 -6.693 -8.814 1.00 0.00 O ATOM 1319 CB GLN A 87 2.276 -9.511 -7.932 1.00 0.00 C ATOM 1320 CG GLN A 87 1.702 -10.519 -6.934 1.00 0.00 C ATOM 1321 CD GLN A 87 2.556 -11.788 -6.886 1.00 0.00 C ATOM 1322 OE1 GLN A 87 3.690 -11.822 -7.334 1.00 0.00 O ATOM 1323 NE2 GLN A 87 1.949 -12.826 -6.318 1.00 0.00 N ATOM 0 H GLN A 87 1.521 -9.721 -10.285 1.00 0.00 H new ATOM 0 HA GLN A 87 0.252 -8.847 -7.976 1.00 0.00 H new ATOM 0 HB2 GLN A 87 2.795 -10.040 -8.731 1.00 0.00 H new ATOM 0 HB3 GLN A 87 3.014 -8.882 -7.435 1.00 0.00 H new ATOM 0 HG2 GLN A 87 1.656 -10.069 -5.942 1.00 0.00 H new ATOM 0 HG3 GLN A 87 0.680 -10.774 -7.216 1.00 0.00 H new ATOM 0 HE21 GLN A 87 0.998 -12.729 -5.963 1.00 0.00 H new ATOM 0 HE22 GLN A 87 2.435 -13.719 -6.237 1.00 0.00 H new ATOM 1332 N PRO A 88 0.557 -6.421 -7.710 1.00 0.00 N ATOM 1333 CA PRO A 88 0.736 -4.997 -7.486 1.00 0.00 C ATOM 1334 C PRO A 88 1.758 -4.741 -6.377 1.00 0.00 C ATOM 1335 O PRO A 88 2.222 -5.677 -5.727 1.00 0.00 O ATOM 1336 CB PRO A 88 -0.651 -4.474 -7.149 1.00 0.00 C ATOM 1337 CG PRO A 88 -1.467 -5.690 -6.741 1.00 0.00 C ATOM 1338 CD PRO A 88 -0.699 -6.931 -7.166 1.00 0.00 C ATOM 0 HA PRO A 88 1.140 -4.481 -8.357 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -0.607 -3.744 -6.341 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -1.099 -3.973 -8.007 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -1.633 -5.694 -5.664 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -2.448 -5.668 -7.215 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -0.523 -7.597 -6.321 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -1.251 -7.502 -7.912 1.00 0.00 H new ATOM 1346 N GLU A 89 2.079 -3.468 -6.194 1.00 0.00 N ATOM 1347 CA GLU A 89 3.037 -3.078 -5.174 1.00 0.00 C ATOM 1348 C GLU A 89 2.381 -3.101 -3.792 1.00 0.00 C ATOM 1349 O GLU A 89 1.243 -2.662 -3.634 1.00 0.00 O ATOM 1350 CB GLU A 89 3.628 -1.699 -5.477 1.00 0.00 C ATOM 1351 CG GLU A 89 5.051 -1.822 -6.027 1.00 0.00 C ATOM 1352 CD GLU A 89 5.921 -2.683 -5.110 1.00 0.00 C ATOM 1353 OE1 GLU A 89 5.632 -2.689 -3.894 1.00 0.00 O ATOM 1354 OE2 GLU A 89 6.856 -3.317 -5.646 1.00 0.00 O ATOM 0 H GLU A 89 1.693 -2.694 -6.735 1.00 0.00 H new ATOM 0 HA GLU A 89 3.856 -3.798 -5.178 1.00 0.00 H new ATOM 0 HB2 GLU A 89 2.998 -1.180 -6.200 1.00 0.00 H new ATOM 0 HB3 GLU A 89 3.636 -1.095 -4.570 1.00 0.00 H new ATOM 0 HG2 GLU A 89 5.022 -2.261 -7.024 1.00 0.00 H new ATOM 0 HG3 GLU A 89 5.493 -0.831 -6.128 1.00 0.00 H new ATOM 1361 N LEU A 90 3.127 -3.618 -2.827 1.00 0.00 N ATOM 1362 CA LEU A 90 2.632 -3.704 -1.463 1.00 0.00 C ATOM 1363 C LEU A 90 3.449 -2.770 -0.569 1.00 0.00 C ATOM 1364 O LEU A 90 4.548 -3.118 -0.141 1.00 0.00 O ATOM 1365 CB LEU A 90 2.624 -5.158 -0.988 1.00 0.00 C ATOM 1366 CG LEU A 90 1.456 -6.017 -1.478 1.00 0.00 C ATOM 1367 CD1 LEU A 90 0.940 -5.521 -2.830 1.00 0.00 C ATOM 1368 CD2 LEU A 90 1.843 -7.497 -1.520 1.00 0.00 C ATOM 0 H LEU A 90 4.070 -3.982 -2.962 1.00 0.00 H new ATOM 0 HA LEU A 90 1.596 -3.370 -1.411 1.00 0.00 H new ATOM 0 HB2 LEU A 90 3.554 -5.629 -1.307 1.00 0.00 H new ATOM 0 HB3 LEU A 90 2.621 -5.163 0.102 1.00 0.00 H new ATOM 0 HG LEU A 90 0.637 -5.919 -0.765 1.00 0.00 H new ATOM 0 HD11 LEU A 90 0.110 -6.149 -3.155 1.00 0.00 H new ATOM 0 HD12 LEU A 90 0.599 -4.490 -2.733 1.00 0.00 H new ATOM 0 HD13 LEU A 90 1.742 -5.570 -3.566 1.00 0.00 H new ATOM 0 HD21 LEU A 90 0.995 -8.085 -1.872 1.00 0.00 H new ATOM 0 HD22 LEU A 90 2.685 -7.634 -2.198 1.00 0.00 H new ATOM 0 HD23 LEU A 90 2.124 -7.828 -0.520 1.00 0.00 H new ATOM 1380 N LEU A 91 2.880 -1.601 -0.312 1.00 0.00 N ATOM 1381 CA LEU A 91 3.541 -0.614 0.524 1.00 0.00 C ATOM 1382 C LEU A 91 2.580 -0.155 1.622 1.00 0.00 C ATOM 1383 O LEU A 91 1.366 -0.309 1.494 1.00 0.00 O ATOM 1384 CB LEU A 91 4.090 0.531 -0.331 1.00 0.00 C ATOM 1385 CG LEU A 91 4.361 0.201 -1.800 1.00 0.00 C ATOM 1386 CD1 LEU A 91 4.251 1.452 -2.673 1.00 0.00 C ATOM 1387 CD2 LEU A 91 5.714 -0.495 -1.964 1.00 0.00 C ATOM 0 H LEU A 91 1.968 -1.316 -0.669 1.00 0.00 H new ATOM 0 HA LEU A 91 4.406 -1.054 1.021 1.00 0.00 H new ATOM 0 HB2 LEU A 91 3.383 1.360 -0.290 1.00 0.00 H new ATOM 0 HB3 LEU A 91 5.019 0.881 0.119 1.00 0.00 H new ATOM 0 HG LEU A 91 3.596 -0.497 -2.140 1.00 0.00 H new ATOM 0 HD11 LEU A 91 4.448 1.189 -3.712 1.00 0.00 H new ATOM 0 HD12 LEU A 91 3.247 1.868 -2.588 1.00 0.00 H new ATOM 0 HD13 LEU A 91 4.979 2.192 -2.342 1.00 0.00 H new ATOM 0 HD21 LEU A 91 5.883 -0.719 -3.017 1.00 0.00 H new ATOM 0 HD22 LEU A 91 6.506 0.160 -1.601 1.00 0.00 H new ATOM 0 HD23 LEU A 91 5.718 -1.422 -1.391 1.00 0.00 H new ATOM 1399 N ASP A 92 3.158 0.399 2.677 1.00 0.00 N ATOM 1400 CA ASP A 92 2.368 0.881 3.797 1.00 0.00 C ATOM 1401 C ASP A 92 1.744 2.230 3.433 1.00 0.00 C ATOM 1402 O ASP A 92 2.187 2.889 2.493 1.00 0.00 O ATOM 1403 CB ASP A 92 3.238 1.083 5.039 1.00 0.00 C ATOM 1404 CG ASP A 92 2.729 0.390 6.305 1.00 0.00 C ATOM 1405 OD1 ASP A 92 1.628 -0.197 6.227 1.00 0.00 O ATOM 1406 OD2 ASP A 92 3.453 0.463 7.322 1.00 0.00 O ATOM 0 H ASP A 92 4.165 0.525 2.780 1.00 0.00 H new ATOM 0 HA ASP A 92 1.600 0.138 4.012 1.00 0.00 H new ATOM 0 HB2 ASP A 92 4.243 0.720 4.823 1.00 0.00 H new ATOM 0 HB3 ASP A 92 3.321 2.152 5.236 1.00 0.00 H new ATOM 1411 N VAL A 93 0.726 2.600 4.195 1.00 0.00 N ATOM 1412 CA VAL A 93 0.038 3.859 3.965 1.00 0.00 C ATOM 1413 C VAL A 93 1.058 4.999 3.951 1.00 0.00 C ATOM 1414 O VAL A 93 0.848 6.016 3.293 1.00 0.00 O ATOM 1415 CB VAL A 93 -1.062 4.053 5.011 1.00 0.00 C ATOM 1416 CG1 VAL A 93 -0.482 4.029 6.427 1.00 0.00 C ATOM 1417 CG2 VAL A 93 -1.837 5.348 4.758 1.00 0.00 C ATOM 0 H VAL A 93 0.361 2.050 4.973 1.00 0.00 H new ATOM 0 HA VAL A 93 -0.454 3.853 2.992 1.00 0.00 H new ATOM 0 HB VAL A 93 -1.761 3.221 4.921 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -1.284 4.169 7.151 1.00 0.00 H new ATOM 0 HG12 VAL A 93 0.004 3.070 6.605 1.00 0.00 H new ATOM 0 HG13 VAL A 93 0.248 4.831 6.535 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -2.613 5.462 5.515 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -1.154 6.196 4.808 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -2.297 5.310 3.771 1.00 0.00 H new ATOM 1427 N SER A 94 2.141 4.790 4.685 1.00 0.00 N ATOM 1428 CA SER A 94 3.195 5.787 4.765 1.00 0.00 C ATOM 1429 C SER A 94 3.554 6.283 3.363 1.00 0.00 C ATOM 1430 O SER A 94 3.500 7.481 3.092 1.00 0.00 O ATOM 1431 CB SER A 94 4.434 5.224 5.464 1.00 0.00 C ATOM 1432 OG SER A 94 4.097 4.479 6.631 1.00 0.00 O ATOM 0 H SER A 94 2.311 3.945 5.230 1.00 0.00 H new ATOM 0 HA SER A 94 2.828 6.626 5.356 1.00 0.00 H new ATOM 0 HB2 SER A 94 4.982 4.585 4.772 1.00 0.00 H new ATOM 0 HB3 SER A 94 5.100 6.043 5.736 1.00 0.00 H new ATOM 0 HG SER A 94 4.915 4.135 7.047 1.00 0.00 H new ATOM 1438 N TRP A 95 3.914 5.335 2.510 1.00 0.00 N ATOM 1439 CA TRP A 95 4.283 5.660 1.143 1.00 0.00 C ATOM 1440 C TRP A 95 3.268 6.673 0.607 1.00 0.00 C ATOM 1441 O TRP A 95 3.646 7.735 0.115 1.00 0.00 O ATOM 1442 CB TRP A 95 4.376 4.397 0.285 1.00 0.00 C ATOM 1443 CG TRP A 95 4.817 4.655 -1.157 1.00 0.00 C ATOM 1444 CD1 TRP A 95 6.015 5.069 -1.592 1.00 0.00 C ATOM 1445 CD2 TRP A 95 4.012 4.498 -2.344 1.00 0.00 C ATOM 1446 NE1 TRP A 95 6.041 5.190 -2.966 1.00 0.00 N ATOM 1447 CE2 TRP A 95 4.784 4.832 -3.438 1.00 0.00 C ATOM 1448 CE3 TRP A 95 2.675 4.087 -2.489 1.00 0.00 C ATOM 1449 CZ2 TRP A 95 4.307 4.789 -4.754 1.00 0.00 C ATOM 1450 CZ3 TRP A 95 2.214 4.051 -3.810 1.00 0.00 C ATOM 1451 CH2 TRP A 95 2.978 4.383 -4.922 1.00 0.00 C ATOM 0 H TRP A 95 3.958 4.342 2.739 1.00 0.00 H new ATOM 0 HA TRP A 95 5.275 6.109 1.108 1.00 0.00 H new ATOM 0 HB2 TRP A 95 5.078 3.705 0.750 1.00 0.00 H new ATOM 0 HB3 TRP A 95 3.403 3.905 0.274 1.00 0.00 H new ATOM 0 HD1 TRP A 95 6.855 5.281 -0.947 1.00 0.00 H new ATOM 0 HE1 TRP A 95 6.836 5.487 -3.531 1.00 0.00 H new ATOM 0 HE3 TRP A 95 2.053 3.820 -1.647 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 4.931 5.055 -5.594 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 1.192 3.743 -3.977 1.00 0.00 H new ATOM 0 HH2 TRP A 95 2.548 4.328 -5.911 1.00 0.00 H new ATOM 1462 N LEU A 96 2.000 6.308 0.722 1.00 0.00 N ATOM 1463 CA LEU A 96 0.928 7.172 0.255 1.00 0.00 C ATOM 1464 C LEU A 96 1.098 8.564 0.867 1.00 0.00 C ATOM 1465 O LEU A 96 1.268 9.546 0.146 1.00 0.00 O ATOM 1466 CB LEU A 96 -0.434 6.537 0.540 1.00 0.00 C ATOM 1467 CG LEU A 96 -1.606 7.060 -0.293 1.00 0.00 C ATOM 1468 CD1 LEU A 96 -1.222 7.172 -1.769 1.00 0.00 C ATOM 1469 CD2 LEU A 96 -2.853 6.197 -0.089 1.00 0.00 C ATOM 0 H LEU A 96 1.690 5.427 1.131 1.00 0.00 H new ATOM 0 HA LEU A 96 0.978 7.291 -0.827 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -0.352 5.462 0.380 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -0.668 6.686 1.594 1.00 0.00 H new ATOM 0 HG LEU A 96 -1.850 8.064 0.054 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -2.073 7.546 -2.339 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -0.383 7.860 -1.876 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -0.936 6.190 -2.146 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -3.671 6.591 -0.692 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -2.640 5.172 -0.392 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -3.138 6.213 0.963 1.00 0.00 H new ATOM 1481 N ILE A 97 1.045 8.604 2.190 1.00 0.00 N ATOM 1482 CA ILE A 97 1.191 9.859 2.907 1.00 0.00 C ATOM 1483 C ILE A 97 2.255 10.715 2.217 1.00 0.00 C ATOM 1484 O ILE A 97 2.014 11.881 1.907 1.00 0.00 O ATOM 1485 CB ILE A 97 1.475 9.601 4.388 1.00 0.00 C ATOM 1486 CG1 ILE A 97 0.210 9.146 5.118 1.00 0.00 C ATOM 1487 CG2 ILE A 97 2.107 10.828 5.048 1.00 0.00 C ATOM 1488 CD1 ILE A 97 0.547 8.573 6.496 1.00 0.00 C ATOM 0 H ILE A 97 0.903 7.787 2.784 1.00 0.00 H new ATOM 0 HA ILE A 97 0.259 10.424 2.879 1.00 0.00 H new ATOM 0 HB ILE A 97 2.198 8.789 4.460 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -0.473 9.988 5.228 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -0.306 8.392 4.523 1.00 0.00 H new ATOM 0 HG21 ILE A 97 2.298 10.617 6.100 1.00 0.00 H new ATOM 0 HG22 ILE A 97 3.046 11.066 4.549 1.00 0.00 H new ATOM 0 HG23 ILE A 97 1.427 11.676 4.966 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -0.370 8.257 6.993 1.00 0.00 H new ATOM 0 HD12 ILE A 97 1.211 7.716 6.381 1.00 0.00 H new ATOM 0 HD13 ILE A 97 1.041 9.337 7.097 1.00 0.00 H new ATOM 1500 N GLU A 98 3.410 10.103 1.998 1.00 0.00 N ATOM 1501 CA GLU A 98 4.512 10.794 1.350 1.00 0.00 C ATOM 1502 C GLU A 98 4.163 11.101 -0.108 1.00 0.00 C ATOM 1503 O GLU A 98 4.330 12.231 -0.565 1.00 0.00 O ATOM 1504 CB GLU A 98 5.802 9.978 1.445 1.00 0.00 C ATOM 1505 CG GLU A 98 6.411 10.075 2.845 1.00 0.00 C ATOM 1506 CD GLU A 98 7.648 10.975 2.844 1.00 0.00 C ATOM 1507 OE1 GLU A 98 7.520 12.116 2.349 1.00 0.00 O ATOM 1508 OE2 GLU A 98 8.695 10.502 3.337 1.00 0.00 O ATOM 0 H GLU A 98 3.606 9.136 2.258 1.00 0.00 H new ATOM 0 HA GLU A 98 4.679 11.738 1.869 1.00 0.00 H new ATOM 0 HB2 GLU A 98 5.595 8.935 1.206 1.00 0.00 H new ATOM 0 HB3 GLU A 98 6.519 10.338 0.707 1.00 0.00 H new ATOM 0 HG2 GLU A 98 5.671 10.469 3.541 1.00 0.00 H new ATOM 0 HG3 GLU A 98 6.681 9.080 3.198 1.00 0.00 H new ATOM 1515 N CYS A 99 3.684 10.076 -0.797 1.00 0.00 N ATOM 1516 CA CYS A 99 3.310 10.222 -2.193 1.00 0.00 C ATOM 1517 C CYS A 99 2.413 11.454 -2.324 1.00 0.00 C ATOM 1518 O CYS A 99 2.470 12.164 -3.326 1.00 0.00 O ATOM 1519 CB CYS A 99 2.630 8.961 -2.731 1.00 0.00 C ATOM 1520 SG CYS A 99 3.873 7.645 -3.000 1.00 0.00 S ATOM 0 H CYS A 99 3.546 9.141 -0.414 1.00 0.00 H new ATOM 0 HA CYS A 99 4.205 10.360 -2.799 1.00 0.00 H new ATOM 0 HB2 CYS A 99 1.872 8.618 -2.027 1.00 0.00 H new ATOM 0 HB3 CYS A 99 2.118 9.185 -3.667 1.00 0.00 H new ATOM 0 HG CYS A 99 3.373 6.497 -2.650 1.00 0.00 H new ATOM 1526 N ILE A 100 1.605 11.671 -1.296 1.00 0.00 N ATOM 1527 CA ILE A 100 0.698 12.805 -1.283 1.00 0.00 C ATOM 1528 C ILE A 100 1.500 14.093 -1.089 1.00 0.00 C ATOM 1529 O ILE A 100 1.616 14.902 -2.008 1.00 0.00 O ATOM 1530 CB ILE A 100 -0.401 12.601 -0.238 1.00 0.00 C ATOM 1531 CG1 ILE A 100 -1.370 11.498 -0.668 1.00 0.00 C ATOM 1532 CG2 ILE A 100 -1.124 13.916 0.061 1.00 0.00 C ATOM 1533 CD1 ILE A 100 -2.213 11.017 0.514 1.00 0.00 C ATOM 0 H ILE A 100 1.560 11.080 -0.466 1.00 0.00 H new ATOM 0 HA ILE A 100 0.183 12.891 -2.240 1.00 0.00 H new ATOM 0 HB ILE A 100 0.067 12.273 0.690 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -2.023 11.870 -1.457 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -0.811 10.660 -1.085 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -1.900 13.743 0.807 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -0.410 14.645 0.443 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -1.578 14.298 -0.853 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -2.893 10.233 0.181 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -1.558 10.623 1.291 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -2.789 11.852 0.913 1.00 0.00 H new ATOM 1545 N GLY A 101 2.034 14.244 0.115 1.00 0.00 N ATOM 1546 CA GLY A 101 2.823 15.420 0.441 1.00 0.00 C ATOM 1547 C GLY A 101 3.902 15.667 -0.615 1.00 0.00 C ATOM 1548 O GLY A 101 4.404 16.782 -0.744 1.00 0.00 O ATOM 0 H GLY A 101 1.936 13.572 0.876 1.00 0.00 H new ATOM 0 HA2 GLY A 101 2.172 16.291 0.511 1.00 0.00 H new ATOM 0 HA3 GLY A 101 3.288 15.291 1.418 1.00 0.00 H new ATOM 1552 N ALA A 102 4.226 14.609 -1.342 1.00 0.00 N ATOM 1553 CA ALA A 102 5.237 14.697 -2.383 1.00 0.00 C ATOM 1554 C ALA A 102 4.559 14.999 -3.721 1.00 0.00 C ATOM 1555 O ALA A 102 5.153 15.633 -4.592 1.00 0.00 O ATOM 1556 CB ALA A 102 6.047 13.399 -2.419 1.00 0.00 C ATOM 0 H ALA A 102 3.807 13.686 -1.232 1.00 0.00 H new ATOM 0 HA ALA A 102 5.933 15.510 -2.175 1.00 0.00 H new ATOM 0 HB1 ALA A 102 6.805 13.465 -3.199 1.00 0.00 H new ATOM 0 HB2 ALA A 102 6.531 13.246 -1.455 1.00 0.00 H new ATOM 0 HB3 ALA A 102 5.382 12.561 -2.629 1.00 0.00 H new ATOM 1562 N GLY A 103 3.325 14.532 -3.842 1.00 0.00 N ATOM 1563 CA GLY A 103 2.561 14.745 -5.059 1.00 0.00 C ATOM 1564 C GLY A 103 3.058 13.836 -6.185 1.00 0.00 C ATOM 1565 O GLY A 103 2.610 13.951 -7.325 1.00 0.00 O ATOM 0 H GLY A 103 2.836 14.007 -3.117 1.00 0.00 H new ATOM 0 HA2 GLY A 103 1.506 14.550 -4.869 1.00 0.00 H new ATOM 0 HA3 GLY A 103 2.642 15.788 -5.366 1.00 0.00 H new ATOM 1569 N LYS A 104 3.977 12.951 -5.826 1.00 0.00 N ATOM 1570 CA LYS A 104 4.540 12.023 -6.791 1.00 0.00 C ATOM 1571 C LYS A 104 4.820 10.685 -6.103 1.00 0.00 C ATOM 1572 O LYS A 104 4.809 10.601 -4.876 1.00 0.00 O ATOM 1573 CB LYS A 104 5.767 12.634 -7.470 1.00 0.00 C ATOM 1574 CG LYS A 104 7.047 12.284 -6.707 1.00 0.00 C ATOM 1575 CD LYS A 104 8.285 12.782 -7.455 1.00 0.00 C ATOM 1576 CE LYS A 104 9.532 12.692 -6.573 1.00 0.00 C ATOM 1577 NZ LYS A 104 10.602 13.570 -7.098 1.00 0.00 N ATOM 0 H LYS A 104 4.345 12.857 -4.879 1.00 0.00 H new ATOM 0 HA LYS A 104 3.826 11.827 -7.591 1.00 0.00 H new ATOM 0 HB2 LYS A 104 5.839 12.270 -8.495 1.00 0.00 H new ATOM 0 HB3 LYS A 104 5.656 13.717 -7.524 1.00 0.00 H new ATOM 0 HG2 LYS A 104 7.015 12.729 -5.713 1.00 0.00 H new ATOM 0 HG3 LYS A 104 7.110 11.204 -6.571 1.00 0.00 H new ATOM 0 HD2 LYS A 104 8.431 12.190 -8.359 1.00 0.00 H new ATOM 0 HD3 LYS A 104 8.133 13.814 -7.771 1.00 0.00 H new ATOM 0 HE2 LYS A 104 9.284 12.981 -5.552 1.00 0.00 H new ATOM 0 HE3 LYS A 104 9.885 11.661 -6.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 11.441 13.497 -6.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 10.850 13.276 -8.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 10.268 14.555 -7.111 1.00 0.00 H new ATOM 1591 N PRO A 105 5.070 9.647 -6.944 1.00 0.00 N ATOM 1592 CA PRO A 105 5.353 8.318 -6.430 1.00 0.00 C ATOM 1593 C PRO A 105 6.770 8.241 -5.858 1.00 0.00 C ATOM 1594 O PRO A 105 7.692 7.790 -6.535 1.00 0.00 O ATOM 1595 CB PRO A 105 5.137 7.385 -7.610 1.00 0.00 C ATOM 1596 CG PRO A 105 5.197 8.262 -8.851 1.00 0.00 C ATOM 1597 CD PRO A 105 5.091 9.710 -8.403 1.00 0.00 C ATOM 0 HA PRO A 105 4.705 8.042 -5.598 1.00 0.00 H new ATOM 0 HB2 PRO A 105 5.904 6.611 -7.641 1.00 0.00 H new ATOM 0 HB3 PRO A 105 4.175 6.878 -7.536 1.00 0.00 H new ATOM 0 HG2 PRO A 105 6.129 8.097 -9.391 1.00 0.00 H new ATOM 0 HG3 PRO A 105 4.385 8.013 -9.534 1.00 0.00 H new ATOM 0 HD2 PRO A 105 5.936 10.298 -8.762 1.00 0.00 H new ATOM 0 HD3 PRO A 105 4.188 10.180 -8.792 1.00 0.00 H new ATOM 1605 N VAL A 106 6.897 8.687 -4.617 1.00 0.00 N ATOM 1606 CA VAL A 106 8.186 8.675 -3.946 1.00 0.00 C ATOM 1607 C VAL A 106 8.877 7.335 -4.204 1.00 0.00 C ATOM 1608 O VAL A 106 8.216 6.333 -4.473 1.00 0.00 O ATOM 1609 CB VAL A 106 8.004 8.977 -2.457 1.00 0.00 C ATOM 1610 CG1 VAL A 106 7.531 10.416 -2.244 1.00 0.00 C ATOM 1611 CG2 VAL A 106 7.040 7.980 -1.810 1.00 0.00 C ATOM 0 H VAL A 106 6.129 9.059 -4.059 1.00 0.00 H new ATOM 0 HA VAL A 106 8.832 9.457 -4.346 1.00 0.00 H new ATOM 0 HB VAL A 106 8.974 8.868 -1.971 1.00 0.00 H new ATOM 0 HG11 VAL A 106 7.409 10.605 -1.177 1.00 0.00 H new ATOM 0 HG12 VAL A 106 8.269 11.106 -2.653 1.00 0.00 H new ATOM 0 HG13 VAL A 106 6.577 10.564 -2.750 1.00 0.00 H new ATOM 0 HG21 VAL A 106 6.928 8.217 -0.752 1.00 0.00 H new ATOM 0 HG22 VAL A 106 6.069 8.042 -2.301 1.00 0.00 H new ATOM 0 HG23 VAL A 106 7.436 6.970 -1.916 1.00 0.00 H new ATOM 1621 N GLU A 107 10.199 7.360 -4.113 1.00 0.00 N ATOM 1622 CA GLU A 107 10.987 6.159 -4.333 1.00 0.00 C ATOM 1623 C GLU A 107 10.609 5.081 -3.315 1.00 0.00 C ATOM 1624 O GLU A 107 10.044 5.385 -2.265 1.00 0.00 O ATOM 1625 CB GLU A 107 12.484 6.467 -4.274 1.00 0.00 C ATOM 1626 CG GLU A 107 12.971 6.551 -2.826 1.00 0.00 C ATOM 1627 CD GLU A 107 14.119 7.554 -2.690 1.00 0.00 C ATOM 1628 OE1 GLU A 107 15.205 7.248 -3.227 1.00 0.00 O ATOM 1629 OE2 GLU A 107 13.884 8.603 -2.053 1.00 0.00 O ATOM 0 H GLU A 107 10.744 8.193 -3.890 1.00 0.00 H new ATOM 0 HA GLU A 107 10.766 5.782 -5.331 1.00 0.00 H new ATOM 0 HB2 GLU A 107 13.039 5.693 -4.804 1.00 0.00 H new ATOM 0 HB3 GLU A 107 12.685 7.409 -4.784 1.00 0.00 H new ATOM 0 HG2 GLU A 107 12.146 6.847 -2.178 1.00 0.00 H new ATOM 0 HG3 GLU A 107 13.301 5.567 -2.492 1.00 0.00 H new ATOM 1636 N MET A 108 10.936 3.845 -3.660 1.00 0.00 N ATOM 1637 CA MET A 108 10.638 2.721 -2.789 1.00 0.00 C ATOM 1638 C MET A 108 11.913 2.173 -2.144 1.00 0.00 C ATOM 1639 O MET A 108 12.361 1.078 -2.478 1.00 0.00 O ATOM 1640 CB MET A 108 9.959 1.614 -3.598 1.00 0.00 C ATOM 1641 CG MET A 108 8.440 1.795 -3.608 1.00 0.00 C ATOM 1642 SD MET A 108 7.675 0.485 -4.548 1.00 0.00 S ATOM 1643 CE MET A 108 7.524 1.288 -6.135 1.00 0.00 C ATOM 0 H MET A 108 11.405 3.597 -4.531 1.00 0.00 H new ATOM 0 HA MET A 108 9.972 3.066 -1.998 1.00 0.00 H new ATOM 0 HB2 MET A 108 10.336 1.622 -4.621 1.00 0.00 H new ATOM 0 HB3 MET A 108 10.210 0.642 -3.173 1.00 0.00 H new ATOM 0 HG2 MET A 108 8.058 1.792 -2.587 1.00 0.00 H new ATOM 0 HG3 MET A 108 8.184 2.762 -4.041 1.00 0.00 H new ATOM 0 HE1 MET A 108 7.212 0.559 -6.883 1.00 0.00 H new ATOM 0 HE2 MET A 108 6.781 2.083 -6.071 1.00 0.00 H new ATOM 0 HE3 MET A 108 8.486 1.712 -6.421 1.00 0.00 H new ATOM 1653 N THR A 109 12.462 2.962 -1.232 1.00 0.00 N ATOM 1654 CA THR A 109 13.677 2.570 -0.537 1.00 0.00 C ATOM 1655 C THR A 109 13.523 1.168 0.055 1.00 0.00 C ATOM 1656 O THR A 109 14.404 0.324 -0.102 1.00 0.00 O ATOM 1657 CB THR A 109 13.989 3.641 0.510 1.00 0.00 C ATOM 1658 OG1 THR A 109 12.777 3.769 1.248 1.00 0.00 O ATOM 1659 CG2 THR A 109 14.195 5.024 -0.111 1.00 0.00 C ATOM 0 H THR A 109 12.088 3.871 -0.958 1.00 0.00 H new ATOM 0 HA THR A 109 14.523 2.509 -1.222 1.00 0.00 H new ATOM 0 HB THR A 109 14.882 3.356 1.066 1.00 0.00 H new ATOM 0 HG1 THR A 109 12.891 4.443 1.950 1.00 0.00 H new ATOM 0 HG21 THR A 109 14.413 5.747 0.675 1.00 0.00 H new ATOM 0 HG22 THR A 109 15.029 4.987 -0.812 1.00 0.00 H new ATOM 0 HG23 THR A 109 13.290 5.324 -0.639 1.00 0.00 H new ATOM 1667 N GLY A 110 12.398 0.962 0.724 1.00 0.00 N ATOM 1668 CA GLY A 110 12.118 -0.323 1.341 1.00 0.00 C ATOM 1669 C GLY A 110 11.048 -0.189 2.426 1.00 0.00 C ATOM 1670 O GLY A 110 10.018 -0.859 2.374 1.00 0.00 O ATOM 0 H GLY A 110 11.669 1.664 0.852 1.00 0.00 H new ATOM 0 HA2 GLY A 110 11.784 -1.030 0.582 1.00 0.00 H new ATOM 0 HA3 GLY A 110 13.032 -0.729 1.775 1.00 0.00 H new ATOM 1674 N LYS A 111 11.328 0.682 3.385 1.00 0.00 N ATOM 1675 CA LYS A 111 10.403 0.912 4.481 1.00 0.00 C ATOM 1676 C LYS A 111 8.989 1.082 3.921 1.00 0.00 C ATOM 1677 O LYS A 111 8.015 0.674 4.551 1.00 0.00 O ATOM 1678 CB LYS A 111 10.870 2.090 5.338 1.00 0.00 C ATOM 1679 CG LYS A 111 10.895 3.385 4.524 1.00 0.00 C ATOM 1680 CD LYS A 111 11.736 4.456 5.223 1.00 0.00 C ATOM 1681 CE LYS A 111 10.858 5.606 5.719 1.00 0.00 C ATOM 1682 NZ LYS A 111 10.945 5.727 7.191 1.00 0.00 N ATOM 0 H LYS A 111 12.183 1.237 3.425 1.00 0.00 H new ATOM 0 HA LYS A 111 10.381 0.051 5.149 1.00 0.00 H new ATOM 0 HB2 LYS A 111 10.206 2.207 6.194 1.00 0.00 H new ATOM 0 HB3 LYS A 111 11.865 1.885 5.733 1.00 0.00 H new ATOM 0 HG2 LYS A 111 11.302 3.188 3.532 1.00 0.00 H new ATOM 0 HG3 LYS A 111 9.878 3.750 4.384 1.00 0.00 H new ATOM 0 HD2 LYS A 111 12.270 4.013 6.064 1.00 0.00 H new ATOM 0 HD3 LYS A 111 12.489 4.839 4.534 1.00 0.00 H new ATOM 0 HE2 LYS A 111 11.173 6.539 5.252 1.00 0.00 H new ATOM 0 HE3 LYS A 111 9.823 5.435 5.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 10.343 6.512 7.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 10.623 4.842 7.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 11.931 5.912 7.466 1.00 0.00 H new ATOM 1696 N HIS A 112 8.921 1.686 2.744 1.00 0.00 N ATOM 1697 CA HIS A 112 7.643 1.916 2.092 1.00 0.00 C ATOM 1698 C HIS A 112 6.927 0.580 1.884 1.00 0.00 C ATOM 1699 O HIS A 112 5.731 0.465 2.148 1.00 0.00 O ATOM 1700 CB HIS A 112 7.829 2.698 0.791 1.00 0.00 C ATOM 1701 CG HIS A 112 8.453 4.060 0.977 1.00 0.00 C ATOM 1702 ND1 HIS A 112 8.966 4.800 -0.074 1.00 0.00 N ATOM 1703 CD2 HIS A 112 8.640 4.809 2.102 1.00 0.00 C ATOM 1704 CE1 HIS A 112 9.439 5.940 0.408 1.00 0.00 C ATOM 1705 NE2 HIS A 112 9.236 5.943 1.757 1.00 0.00 N ATOM 0 H HIS A 112 9.731 2.024 2.224 1.00 0.00 H new ATOM 0 HA HIS A 112 7.010 2.533 2.730 1.00 0.00 H new ATOM 0 HB2 HIS A 112 8.452 2.114 0.114 1.00 0.00 H new ATOM 0 HB3 HIS A 112 6.859 2.817 0.309 1.00 0.00 H new ATOM 0 HD1 HIS A 112 8.978 4.516 -1.054 1.00 0.00 H new ATOM 0 HD2 HIS A 112 8.352 4.527 3.104 1.00 0.00 H new ATOM 0 HE1 HIS A 112 9.903 6.728 -0.166 1.00 0.00 H new ATOM 1713 N GLN A 113 7.688 -0.396 1.412 1.00 0.00 N ATOM 1714 CA GLN A 113 7.141 -1.719 1.165 1.00 0.00 C ATOM 1715 C GLN A 113 6.696 -2.363 2.479 1.00 0.00 C ATOM 1716 O GLN A 113 7.232 -2.050 3.541 1.00 0.00 O ATOM 1717 CB GLN A 113 8.154 -2.605 0.436 1.00 0.00 C ATOM 1718 CG GLN A 113 8.733 -1.885 -0.784 1.00 0.00 C ATOM 1719 CD GLN A 113 8.075 -2.379 -2.074 1.00 0.00 C ATOM 1720 OE1 GLN A 113 7.127 -3.147 -2.064 1.00 0.00 O ATOM 1721 NE2 GLN A 113 8.630 -1.897 -3.183 1.00 0.00 N ATOM 0 H GLN A 113 8.679 -0.297 1.194 1.00 0.00 H new ATOM 0 HA GLN A 113 6.269 -1.615 0.520 1.00 0.00 H new ATOM 0 HB2 GLN A 113 8.959 -2.879 1.117 1.00 0.00 H new ATOM 0 HB3 GLN A 113 7.673 -3.531 0.122 1.00 0.00 H new ATOM 0 HG2 GLN A 113 8.582 -0.810 -0.683 1.00 0.00 H new ATOM 0 HG3 GLN A 113 9.809 -2.052 -0.833 1.00 0.00 H new ATOM 0 HE21 GLN A 113 9.422 -1.257 -3.120 1.00 0.00 H new ATOM 0 HE22 GLN A 113 8.263 -2.167 -4.096 1.00 0.00 H new ATOM 1730 N LEU A 114 5.719 -3.252 2.365 1.00 0.00 N ATOM 1731 CA LEU A 114 5.196 -3.943 3.531 1.00 0.00 C ATOM 1732 C LEU A 114 6.010 -5.216 3.773 1.00 0.00 C ATOM 1733 O LEU A 114 6.630 -5.371 4.823 1.00 0.00 O ATOM 1734 CB LEU A 114 3.694 -4.193 3.377 1.00 0.00 C ATOM 1735 CG LEU A 114 2.826 -2.950 3.170 1.00 0.00 C ATOM 1736 CD1 LEU A 114 1.731 -3.213 2.133 1.00 0.00 C ATOM 1737 CD2 LEU A 114 2.250 -2.456 4.498 1.00 0.00 C ATOM 0 H LEU A 114 5.276 -3.509 1.483 1.00 0.00 H new ATOM 0 HA LEU A 114 5.303 -3.323 4.421 1.00 0.00 H new ATOM 0 HB2 LEU A 114 3.542 -4.863 2.531 1.00 0.00 H new ATOM 0 HB3 LEU A 114 3.340 -4.716 4.265 1.00 0.00 H new ATOM 0 HG LEU A 114 3.458 -2.154 2.777 1.00 0.00 H new ATOM 0 HD11 LEU A 114 1.128 -2.314 2.004 1.00 0.00 H new ATOM 0 HD12 LEU A 114 2.189 -3.482 1.181 1.00 0.00 H new ATOM 0 HD13 LEU A 114 1.096 -4.030 2.474 1.00 0.00 H new ATOM 0 HD21 LEU A 114 1.637 -1.572 4.322 1.00 0.00 H new ATOM 0 HD22 LEU A 114 1.637 -3.240 4.943 1.00 0.00 H new ATOM 0 HD23 LEU A 114 3.065 -2.204 5.177 1.00 0.00 H new