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 58:sc= 0.232 USER MOD Set 1.2: A 62 HIS : no HD1:sc= -5.09! C(o=-4.9!,f=-5.9!) USER MOD Set 1.3: A 108 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 42 MET CE :methyl -166:sc= -2.75! (180deg=-3.02) USER MOD Set 2.2: A 54 ASN : amide:sc= -0.258 X(o=-3,f=-3.2) USER MOD Single : A 31 LYS NZ :NH3+ 151:sc= -0.187 (180deg=-0.822!) USER MOD Single : A 32 LYS NZ :NH3+ -130:sc= 1 (180deg=0.113) USER MOD Single : A 33 MET CE :methyl -172:sc= -0.0863 (180deg=-0.121) 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 40:sc= 0.324 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -0.419 X(o=-0.42,f=-0.46) USER MOD Single : A 68 ASN : amide:sc= -1.99 X(o=-2,f=-2.2!) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 GLN :FLIP amide:sc= -4.71! C(o=-5.4!,f=-4.7!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 GLN : amide:sc=-0.00456 X(o=-0.0046,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 K(o=0,f=-0.52) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 99 CYS SG : rot 139:sc= -6.13! USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 THR OG1 : rot 180:sc= -0.0736 USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 HIS : no HE2:sc= -2.68! C(o=-2.7!,f=-6.3!) USER MOD Single : A 113 GLN : amide:sc= -4.53 X(o=-4.5,f=-4.2!) USER MOD ----------------------------------------------------------------- ATOM 298 N LEU A 24 -0.217 4.682 -12.366 1.00 0.00 N ATOM 299 CA LEU A 24 0.035 4.806 -10.940 1.00 0.00 C ATOM 300 C LEU A 24 -1.272 4.587 -10.175 1.00 0.00 C ATOM 301 O LEU A 24 -1.705 5.455 -9.418 1.00 0.00 O ATOM 302 CB LEU A 24 0.712 6.143 -10.631 1.00 0.00 C ATOM 303 CG LEU A 24 1.846 6.098 -9.605 1.00 0.00 C ATOM 304 CD1 LEU A 24 1.322 5.692 -8.226 1.00 0.00 C ATOM 305 CD2 LEU A 24 2.979 5.186 -10.079 1.00 0.00 C ATOM 0 HA LEU A 24 0.732 4.037 -10.607 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.106 6.552 -11.561 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -0.047 6.838 -10.274 1.00 0.00 H new ATOM 0 HG LEU A 24 2.260 7.102 -9.509 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.148 5.668 -7.515 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.578 6.415 -7.892 1.00 0.00 H new ATOM 0 HD13 LEU A 24 0.866 4.704 -8.286 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.772 5.172 -9.331 1.00 0.00 H new ATOM 0 HD22 LEU A 24 2.597 4.175 -10.222 1.00 0.00 H new ATOM 0 HD23 LEU A 24 3.377 5.560 -11.022 1.00 0.00 H new ATOM 317 N VAL A 25 -1.863 3.422 -10.398 1.00 0.00 N ATOM 318 CA VAL A 25 -3.111 3.078 -9.738 1.00 0.00 C ATOM 319 C VAL A 25 -2.826 2.698 -8.284 1.00 0.00 C ATOM 320 O VAL A 25 -2.122 1.725 -8.019 1.00 0.00 O ATOM 321 CB VAL A 25 -3.826 1.971 -10.516 1.00 0.00 C ATOM 322 CG1 VAL A 25 -5.256 1.780 -10.008 1.00 0.00 C ATOM 323 CG2 VAL A 25 -3.812 2.261 -12.019 1.00 0.00 C ATOM 0 H VAL A 25 -1.501 2.705 -11.026 1.00 0.00 H new ATOM 0 HA VAL A 25 -3.785 3.935 -9.724 1.00 0.00 H new ATOM 0 HB VAL A 25 -3.284 1.040 -10.349 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -5.742 0.988 -10.578 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -5.234 1.507 -8.953 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -5.813 2.709 -10.131 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -4.326 1.459 -12.549 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -4.318 3.207 -12.212 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -2.781 2.324 -12.368 1.00 0.00 H new ATOM 333 N VAL A 26 -3.388 3.486 -7.379 1.00 0.00 N ATOM 334 CA VAL A 26 -3.204 3.245 -5.958 1.00 0.00 C ATOM 335 C VAL A 26 -4.516 2.735 -5.357 1.00 0.00 C ATOM 336 O VAL A 26 -5.547 3.397 -5.458 1.00 0.00 O ATOM 337 CB VAL A 26 -2.686 4.512 -5.275 1.00 0.00 C ATOM 338 CG1 VAL A 26 -2.599 4.321 -3.759 1.00 0.00 C ATOM 339 CG2 VAL A 26 -1.334 4.933 -5.853 1.00 0.00 C ATOM 0 H VAL A 26 -3.971 4.292 -7.603 1.00 0.00 H new ATOM 0 HA VAL A 26 -2.451 2.474 -5.796 1.00 0.00 H new ATOM 0 HB VAL A 26 -3.398 5.313 -5.471 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.228 5.236 -3.298 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -3.588 4.091 -3.364 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.918 3.500 -3.534 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -0.989 5.836 -5.350 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -0.609 4.133 -5.702 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.440 5.130 -6.920 1.00 0.00 H new ATOM 349 N PHE A 27 -4.433 1.563 -4.746 1.00 0.00 N ATOM 350 CA PHE A 27 -5.601 0.957 -4.129 1.00 0.00 C ATOM 351 C PHE A 27 -5.387 0.760 -2.627 1.00 0.00 C ATOM 352 O PHE A 27 -4.516 -0.005 -2.215 1.00 0.00 O ATOM 353 CB PHE A 27 -5.796 -0.410 -4.788 1.00 0.00 C ATOM 354 CG PHE A 27 -6.775 -1.324 -4.047 1.00 0.00 C ATOM 355 CD1 PHE A 27 -6.340 -2.088 -3.010 1.00 0.00 C ATOM 356 CD2 PHE A 27 -8.081 -1.371 -4.426 1.00 0.00 C ATOM 357 CE1 PHE A 27 -7.249 -2.936 -2.323 1.00 0.00 C ATOM 358 CE2 PHE A 27 -8.989 -2.218 -3.739 1.00 0.00 C ATOM 359 CZ PHE A 27 -8.554 -2.983 -2.702 1.00 0.00 C ATOM 0 H PHE A 27 -3.576 1.017 -4.665 1.00 0.00 H new ATOM 0 HA PHE A 27 -6.470 1.601 -4.264 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -6.153 -0.263 -5.807 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -4.830 -0.910 -4.857 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -5.304 -2.050 -2.709 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -8.427 -0.764 -5.250 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -6.904 -3.544 -1.500 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -10.026 -2.255 -4.040 1.00 0.00 H new ATOM 0 HZ PHE A 27 -9.245 -3.628 -2.180 1.00 0.00 H new ATOM 369 N ILE A 28 -6.197 1.463 -1.849 1.00 0.00 N ATOM 370 CA ILE A 28 -6.107 1.375 -0.401 1.00 0.00 C ATOM 371 C ILE A 28 -6.869 0.138 0.078 1.00 0.00 C ATOM 372 O ILE A 28 -7.848 -0.272 -0.543 1.00 0.00 O ATOM 373 CB ILE A 28 -6.582 2.678 0.245 1.00 0.00 C ATOM 374 CG1 ILE A 28 -5.609 3.822 -0.049 1.00 0.00 C ATOM 375 CG2 ILE A 28 -6.811 2.493 1.747 1.00 0.00 C ATOM 376 CD1 ILE A 28 -6.181 5.162 0.418 1.00 0.00 C ATOM 0 H ILE A 28 -6.919 2.096 -2.194 1.00 0.00 H new ATOM 0 HA ILE A 28 -5.070 1.252 -0.090 1.00 0.00 H new ATOM 0 HB ILE A 28 -7.541 2.949 -0.197 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -4.659 3.634 0.451 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -5.403 3.863 -1.119 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -7.148 3.434 2.182 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -7.569 1.726 1.908 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -5.879 2.187 2.222 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -5.470 5.958 0.197 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -7.119 5.359 -0.102 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -6.363 5.126 1.492 1.00 0.00 H new ATOM 388 N LEU A 29 -6.390 -0.423 1.179 1.00 0.00 N ATOM 389 CA LEU A 29 -7.014 -1.605 1.749 1.00 0.00 C ATOM 390 C LEU A 29 -7.867 -1.197 2.952 1.00 0.00 C ATOM 391 O LEU A 29 -7.341 -0.961 4.039 1.00 0.00 O ATOM 392 CB LEU A 29 -5.959 -2.664 2.075 1.00 0.00 C ATOM 393 CG LEU A 29 -6.491 -4.035 2.495 1.00 0.00 C ATOM 394 CD1 LEU A 29 -7.130 -4.762 1.310 1.00 0.00 C ATOM 395 CD2 LEU A 29 -5.393 -4.871 3.156 1.00 0.00 C ATOM 0 H LEU A 29 -5.577 -0.081 1.691 1.00 0.00 H new ATOM 0 HA LEU A 29 -7.684 -2.068 1.025 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -5.323 -2.796 1.200 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -5.325 -2.282 2.875 1.00 0.00 H new ATOM 0 HG LEU A 29 -7.273 -3.884 3.240 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -7.500 -5.734 1.636 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -7.959 -4.169 0.924 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -6.387 -4.901 0.525 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -5.798 -5.841 3.445 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -4.573 -5.015 2.453 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -5.025 -4.353 4.042 1.00 0.00 H new ATOM 407 N GLU A 30 -9.169 -1.126 2.718 1.00 0.00 N ATOM 408 CA GLU A 30 -10.099 -0.750 3.769 1.00 0.00 C ATOM 409 C GLU A 30 -9.699 -1.406 5.092 1.00 0.00 C ATOM 410 O GLU A 30 -9.599 -0.734 6.117 1.00 0.00 O ATOM 411 CB GLU A 30 -11.535 -1.118 3.387 1.00 0.00 C ATOM 412 CG GLU A 30 -12.527 -0.618 4.439 1.00 0.00 C ATOM 413 CD GLU A 30 -12.911 -1.738 5.407 1.00 0.00 C ATOM 414 OE1 GLU A 30 -13.365 -2.790 4.907 1.00 0.00 O ATOM 415 OE2 GLU A 30 -12.741 -1.517 6.626 1.00 0.00 O ATOM 0 H GLU A 30 -9.602 -1.323 1.816 1.00 0.00 H new ATOM 0 HA GLU A 30 -10.056 0.332 3.895 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -11.779 -0.685 2.417 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -11.622 -2.200 3.285 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -12.088 0.211 4.993 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -13.421 -0.235 3.948 1.00 0.00 H new ATOM 422 N LYS A 31 -9.480 -2.711 5.026 1.00 0.00 N ATOM 423 CA LYS A 31 -9.093 -3.466 6.206 1.00 0.00 C ATOM 424 C LYS A 31 -8.095 -2.645 7.026 1.00 0.00 C ATOM 425 O LYS A 31 -7.105 -2.150 6.490 1.00 0.00 O ATOM 426 CB LYS A 31 -8.573 -4.849 5.811 1.00 0.00 C ATOM 427 CG LYS A 31 -9.629 -5.628 5.025 1.00 0.00 C ATOM 428 CD LYS A 31 -9.578 -7.119 5.365 1.00 0.00 C ATOM 429 CE LYS A 31 -10.695 -7.883 4.652 1.00 0.00 C ATOM 430 NZ LYS A 31 -10.141 -9.035 3.907 1.00 0.00 N ATOM 0 H LYS A 31 -9.563 -3.265 4.174 1.00 0.00 H new ATOM 0 HA LYS A 31 -9.959 -3.647 6.843 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -7.671 -4.744 5.209 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -8.296 -5.406 6.706 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -10.620 -5.234 5.251 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -9.467 -5.490 3.956 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -8.610 -7.529 5.075 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -9.671 -7.253 6.443 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -11.427 -8.232 5.380 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -11.219 -7.217 3.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -10.856 -9.788 3.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -9.879 -8.734 2.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -9.298 -9.394 4.400 1.00 0.00 H new ATOM 444 N LYS A 32 -8.391 -2.526 8.312 1.00 0.00 N ATOM 445 CA LYS A 32 -7.533 -1.773 9.211 1.00 0.00 C ATOM 446 C LYS A 32 -7.515 -0.305 8.782 1.00 0.00 C ATOM 447 O LYS A 32 -6.448 0.278 8.595 1.00 0.00 O ATOM 448 CB LYS A 32 -6.144 -2.410 9.283 1.00 0.00 C ATOM 449 CG LYS A 32 -6.144 -3.623 10.214 1.00 0.00 C ATOM 450 CD LYS A 32 -4.729 -3.943 10.700 1.00 0.00 C ATOM 451 CE LYS A 32 -4.629 -5.391 11.184 1.00 0.00 C ATOM 452 NZ LYS A 32 -3.223 -5.740 11.486 1.00 0.00 N ATOM 0 H LYS A 32 -9.213 -2.938 8.753 1.00 0.00 H new ATOM 0 HA LYS A 32 -7.926 -1.803 10.227 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -5.827 -2.713 8.285 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -5.421 -1.675 9.637 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -6.791 -3.429 11.070 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -6.557 -4.486 9.692 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -4.017 -3.776 9.892 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -4.457 -3.266 11.510 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -5.243 -5.526 12.074 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -5.021 -6.064 10.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -2.978 -6.633 11.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -2.596 -4.984 11.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -3.105 -5.849 12.514 1.00 0.00 H new ATOM 466 N MET A 33 -8.709 0.252 8.638 1.00 0.00 N ATOM 467 CA MET A 33 -8.844 1.641 8.235 1.00 0.00 C ATOM 468 C MET A 33 -10.316 2.055 8.180 1.00 0.00 C ATOM 469 O MET A 33 -10.770 2.856 8.996 1.00 0.00 O ATOM 470 CB MET A 33 -8.206 1.837 6.858 1.00 0.00 C ATOM 471 CG MET A 33 -7.637 3.250 6.714 1.00 0.00 C ATOM 472 SD MET A 33 -5.854 3.185 6.640 1.00 0.00 S ATOM 473 CE MET A 33 -5.633 2.698 4.937 1.00 0.00 C ATOM 0 H MET A 33 -9.592 -0.234 8.793 1.00 0.00 H new ATOM 0 HA MET A 33 -8.338 2.265 8.972 1.00 0.00 H new ATOM 0 HB2 MET A 33 -7.412 1.105 6.714 1.00 0.00 H new ATOM 0 HB3 MET A 33 -8.949 1.659 6.080 1.00 0.00 H new ATOM 0 HG2 MET A 33 -8.030 3.719 5.812 1.00 0.00 H new ATOM 0 HG3 MET A 33 -7.952 3.866 7.557 1.00 0.00 H new ATOM 0 HE1 MET A 33 -4.582 2.472 4.757 1.00 0.00 H new ATOM 0 HE2 MET A 33 -6.235 1.813 4.731 1.00 0.00 H new ATOM 0 HE3 MET A 33 -5.947 3.511 4.282 1.00 0.00 H new ATOM 483 N GLY A 34 -11.020 1.492 7.209 1.00 0.00 N ATOM 484 CA GLY A 34 -12.431 1.793 7.037 1.00 0.00 C ATOM 485 C GLY A 34 -12.693 2.431 5.671 1.00 0.00 C ATOM 486 O GLY A 34 -11.834 2.397 4.791 1.00 0.00 O ATOM 0 H GLY A 34 -10.640 0.829 6.533 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -13.016 0.878 7.133 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -12.762 2.468 7.827 1.00 0.00 H new ATOM 490 N THR A 35 -13.882 2.999 5.537 1.00 0.00 N ATOM 491 CA THR A 35 -14.267 3.645 4.294 1.00 0.00 C ATOM 492 C THR A 35 -13.865 5.121 4.312 1.00 0.00 C ATOM 493 O THR A 35 -13.522 5.687 3.276 1.00 0.00 O ATOM 494 CB THR A 35 -15.768 3.427 4.093 1.00 0.00 C ATOM 495 OG1 THR A 35 -15.886 2.028 3.845 1.00 0.00 O ATOM 496 CG2 THR A 35 -16.289 4.078 2.810 1.00 0.00 C ATOM 0 H THR A 35 -14.592 3.025 6.269 1.00 0.00 H new ATOM 0 HA THR A 35 -13.743 3.209 3.444 1.00 0.00 H new ATOM 0 HB THR A 35 -16.310 3.829 4.949 1.00 0.00 H new ATOM 0 HG1 THR A 35 -16.829 1.799 3.705 1.00 0.00 H new ATOM 0 HG21 THR A 35 -17.359 3.893 2.717 1.00 0.00 H new ATOM 0 HG22 THR A 35 -16.109 5.152 2.848 1.00 0.00 H new ATOM 0 HG23 THR A 35 -15.771 3.653 1.950 1.00 0.00 H new ATOM 504 N THR A 36 -13.920 5.701 5.502 1.00 0.00 N ATOM 505 CA THR A 36 -13.566 7.101 5.669 1.00 0.00 C ATOM 506 C THR A 36 -12.096 7.325 5.309 1.00 0.00 C ATOM 507 O THR A 36 -11.790 7.953 4.297 1.00 0.00 O ATOM 508 CB THR A 36 -13.910 7.507 7.103 1.00 0.00 C ATOM 509 OG1 THR A 36 -15.330 7.408 7.162 1.00 0.00 O ATOM 510 CG2 THR A 36 -13.628 8.986 7.376 1.00 0.00 C ATOM 0 H THR A 36 -14.204 5.227 6.360 1.00 0.00 H new ATOM 0 HA THR A 36 -14.135 7.737 4.991 1.00 0.00 H new ATOM 0 HB THR A 36 -13.339 6.893 7.800 1.00 0.00 H new ATOM 0 HG1 THR A 36 -15.638 7.653 8.060 1.00 0.00 H new ATOM 0 HG21 THR A 36 -13.889 9.222 8.408 1.00 0.00 H new ATOM 0 HG22 THR A 36 -12.570 9.191 7.214 1.00 0.00 H new ATOM 0 HG23 THR A 36 -14.224 9.601 6.701 1.00 0.00 H new ATOM 518 N ARG A 37 -11.225 6.800 6.159 1.00 0.00 N ATOM 519 CA ARG A 37 -9.795 6.935 5.943 1.00 0.00 C ATOM 520 C ARG A 37 -9.420 6.441 4.544 1.00 0.00 C ATOM 521 O ARG A 37 -8.706 7.125 3.812 1.00 0.00 O ATOM 522 CB ARG A 37 -9.004 6.142 6.986 1.00 0.00 C ATOM 523 CG ARG A 37 -8.432 7.068 8.061 1.00 0.00 C ATOM 524 CD ARG A 37 -6.961 6.747 8.336 1.00 0.00 C ATOM 525 NE ARG A 37 -6.407 7.711 9.312 1.00 0.00 N ATOM 526 CZ ARG A 37 -5.202 7.589 9.886 1.00 0.00 C ATOM 527 NH1 ARG A 37 -4.419 6.544 9.586 1.00 0.00 N ATOM 528 NH2 ARG A 37 -4.781 8.513 10.761 1.00 0.00 N ATOM 0 H ARG A 37 -11.483 6.281 6.998 1.00 0.00 H new ATOM 0 HA ARG A 37 -9.543 7.991 6.038 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -9.651 5.397 7.449 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -8.193 5.601 6.498 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -8.528 8.105 7.741 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -9.009 6.964 8.980 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -6.868 5.732 8.722 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -6.391 6.789 7.408 1.00 0.00 H new ATOM 0 HE ARG A 37 -6.977 8.518 9.564 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -4.740 5.841 8.920 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -3.502 6.452 10.023 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -5.378 9.308 10.990 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -3.864 8.421 11.198 1.00 0.00 H new ATOM 542 N ARG A 38 -9.918 5.258 4.216 1.00 0.00 N ATOM 543 CA ARG A 38 -9.644 4.665 2.918 1.00 0.00 C ATOM 544 C ARG A 38 -10.005 5.645 1.800 1.00 0.00 C ATOM 545 O ARG A 38 -9.132 6.099 1.062 1.00 0.00 O ATOM 546 CB ARG A 38 -10.435 3.370 2.726 1.00 0.00 C ATOM 547 CG ARG A 38 -10.265 2.829 1.305 1.00 0.00 C ATOM 548 CD ARG A 38 -10.849 1.420 1.181 1.00 0.00 C ATOM 549 NE ARG A 38 -11.502 1.257 -0.137 1.00 0.00 N ATOM 550 CZ ARG A 38 -12.770 1.603 -0.395 1.00 0.00 C ATOM 551 NH1 ARG A 38 -13.530 2.133 0.573 1.00 0.00 N ATOM 552 NH2 ARG A 38 -13.279 1.418 -1.621 1.00 0.00 N ATOM 0 H ARG A 38 -10.510 4.694 4.826 1.00 0.00 H new ATOM 0 HA ARG A 38 -8.579 4.437 2.876 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -10.098 2.624 3.446 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -11.491 3.552 2.926 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -10.759 3.495 0.597 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -9.207 2.812 1.042 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -10.059 0.678 1.299 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -11.572 1.245 1.978 1.00 0.00 H new ATOM 0 HE ARG A 38 -10.952 0.856 -0.897 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -13.143 2.273 1.506 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -14.496 2.397 0.377 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -12.701 1.014 -2.358 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -14.245 1.681 -1.817 1.00 0.00 H new ATOM 566 N ALA A 39 -11.293 5.943 1.710 1.00 0.00 N ATOM 567 CA ALA A 39 -11.780 6.861 0.695 1.00 0.00 C ATOM 568 C ALA A 39 -11.039 8.194 0.820 1.00 0.00 C ATOM 569 O ALA A 39 -10.601 8.761 -0.179 1.00 0.00 O ATOM 570 CB ALA A 39 -13.295 7.021 0.835 1.00 0.00 C ATOM 0 H ALA A 39 -12.014 5.565 2.324 1.00 0.00 H new ATOM 0 HA ALA A 39 -11.585 6.468 -0.303 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -13.660 7.710 0.073 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -13.777 6.051 0.708 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -13.529 7.416 1.824 1.00 0.00 H new ATOM 576 N LEU A 40 -10.921 8.654 2.057 1.00 0.00 N ATOM 577 CA LEU A 40 -10.240 9.909 2.326 1.00 0.00 C ATOM 578 C LEU A 40 -8.848 9.876 1.694 1.00 0.00 C ATOM 579 O LEU A 40 -8.601 10.545 0.692 1.00 0.00 O ATOM 580 CB LEU A 40 -10.226 10.200 3.828 1.00 0.00 C ATOM 581 CG LEU A 40 -9.721 11.584 4.239 1.00 0.00 C ATOM 582 CD1 LEU A 40 -9.834 12.576 3.079 1.00 0.00 C ATOM 583 CD2 LEU A 40 -10.445 12.083 5.492 1.00 0.00 C ATOM 0 H LEU A 40 -11.285 8.180 2.884 1.00 0.00 H new ATOM 0 HA LEU A 40 -10.778 10.739 1.868 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -11.239 10.076 4.211 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.606 9.449 4.318 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.664 11.500 4.490 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -9.468 13.552 3.398 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -9.237 12.222 2.238 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -10.877 12.661 2.774 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -10.067 13.069 5.762 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -11.515 12.147 5.293 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -10.270 11.389 6.314 1.00 0.00 H new ATOM 595 N LEU A 41 -7.974 9.088 2.304 1.00 0.00 N ATOM 596 CA LEU A 41 -6.613 8.959 1.813 1.00 0.00 C ATOM 597 C LEU A 41 -6.638 8.786 0.293 1.00 0.00 C ATOM 598 O LEU A 41 -5.790 9.332 -0.411 1.00 0.00 O ATOM 599 CB LEU A 41 -5.883 7.832 2.548 1.00 0.00 C ATOM 600 CG LEU A 41 -5.681 8.032 4.051 1.00 0.00 C ATOM 601 CD1 LEU A 41 -5.505 6.690 4.764 1.00 0.00 C ATOM 602 CD2 LEU A 41 -4.516 8.985 4.326 1.00 0.00 C ATOM 0 H LEU A 41 -8.182 8.533 3.134 1.00 0.00 H new ATOM 0 HA LEU A 41 -6.045 9.866 2.022 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -6.439 6.907 2.396 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.906 7.697 2.085 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.579 8.497 4.457 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -5.363 6.861 5.831 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -6.393 6.077 4.610 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -4.633 6.175 4.360 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.394 9.110 5.402 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.600 8.572 3.903 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -4.722 9.953 3.870 1.00 0.00 H new ATOM 614 N MET A 42 -7.619 8.024 -0.168 1.00 0.00 N ATOM 615 CA MET A 42 -7.766 7.773 -1.592 1.00 0.00 C ATOM 616 C MET A 42 -8.097 9.063 -2.345 1.00 0.00 C ATOM 617 O MET A 42 -7.552 9.318 -3.417 1.00 0.00 O ATOM 618 CB MET A 42 -8.880 6.749 -1.817 1.00 0.00 C ATOM 619 CG MET A 42 -8.333 5.322 -1.758 1.00 0.00 C ATOM 620 SD MET A 42 -9.335 4.241 -2.765 1.00 0.00 S ATOM 621 CE MET A 42 -10.963 4.820 -2.315 1.00 0.00 C ATOM 0 H MET A 42 -8.320 7.572 0.419 1.00 0.00 H new ATOM 0 HA MET A 42 -6.821 7.385 -1.973 1.00 0.00 H new ATOM 0 HB2 MET A 42 -9.655 6.877 -1.061 1.00 0.00 H new ATOM 0 HB3 MET A 42 -9.348 6.923 -2.786 1.00 0.00 H new ATOM 0 HG2 MET A 42 -7.301 5.305 -2.108 1.00 0.00 H new ATOM 0 HG3 MET A 42 -8.326 4.969 -0.727 1.00 0.00 H new ATOM 0 HE1 MET A 42 -11.711 4.103 -2.653 1.00 0.00 H new ATOM 0 HE2 MET A 42 -11.025 4.926 -1.232 1.00 0.00 H new ATOM 0 HE3 MET A 42 -11.148 5.786 -2.785 1.00 0.00 H new ATOM 631 N GLU A 43 -8.990 9.843 -1.753 1.00 0.00 N ATOM 632 CA GLU A 43 -9.401 11.100 -2.355 1.00 0.00 C ATOM 633 C GLU A 43 -8.258 12.116 -2.296 1.00 0.00 C ATOM 634 O GLU A 43 -8.103 12.934 -3.201 1.00 0.00 O ATOM 635 CB GLU A 43 -10.657 11.649 -1.675 1.00 0.00 C ATOM 636 CG GLU A 43 -10.665 13.179 -1.690 1.00 0.00 C ATOM 637 CD GLU A 43 -12.011 13.725 -1.209 1.00 0.00 C ATOM 638 OE1 GLU A 43 -12.582 13.099 -0.290 1.00 0.00 O ATOM 639 OE2 GLU A 43 -12.439 14.756 -1.772 1.00 0.00 O ATOM 0 H GLU A 43 -9.440 9.629 -0.863 1.00 0.00 H new ATOM 0 HA GLU A 43 -9.645 10.916 -3.401 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -11.544 11.272 -2.184 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -10.703 11.292 -0.646 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -9.866 13.557 -1.052 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -10.463 13.537 -2.699 1.00 0.00 H new ATOM 646 N LEU A 44 -7.487 12.029 -1.222 1.00 0.00 N ATOM 647 CA LEU A 44 -6.363 12.930 -1.033 1.00 0.00 C ATOM 648 C LEU A 44 -5.364 12.739 -2.176 1.00 0.00 C ATOM 649 O LEU A 44 -4.848 13.712 -2.724 1.00 0.00 O ATOM 650 CB LEU A 44 -5.751 12.740 0.356 1.00 0.00 C ATOM 651 CG LEU A 44 -6.664 13.061 1.541 1.00 0.00 C ATOM 652 CD1 LEU A 44 -5.874 13.699 2.685 1.00 0.00 C ATOM 653 CD2 LEU A 44 -7.844 13.931 1.104 1.00 0.00 C ATOM 0 H LEU A 44 -7.619 11.348 -0.474 1.00 0.00 H new ATOM 0 HA LEU A 44 -6.696 13.967 -1.070 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -5.421 11.705 0.447 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -4.862 13.366 0.428 1.00 0.00 H new ATOM 0 HG LEU A 44 -7.076 12.125 1.918 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -6.547 13.917 3.514 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -5.097 13.011 3.019 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -5.414 14.624 2.338 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -8.477 14.145 1.965 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -7.471 14.866 0.687 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -8.425 13.403 0.348 1.00 0.00 H new ATOM 665 N ALA A 45 -5.121 11.478 -2.502 1.00 0.00 N ATOM 666 CA ALA A 45 -4.193 11.147 -3.571 1.00 0.00 C ATOM 667 C ALA A 45 -4.744 11.669 -4.899 1.00 0.00 C ATOM 668 O ALA A 45 -4.004 12.234 -5.703 1.00 0.00 O ATOM 669 CB ALA A 45 -3.957 9.635 -3.591 1.00 0.00 C ATOM 0 H ALA A 45 -5.550 10.673 -2.045 1.00 0.00 H new ATOM 0 HA ALA A 45 -3.228 11.626 -3.404 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -3.261 9.386 -4.392 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -3.538 9.319 -2.635 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -4.903 9.121 -3.759 1.00 0.00 H new ATOM 675 N ARG A 46 -6.039 11.462 -5.088 1.00 0.00 N ATOM 676 CA ARG A 46 -6.698 11.905 -6.305 1.00 0.00 C ATOM 677 C ARG A 46 -6.323 13.356 -6.614 1.00 0.00 C ATOM 678 O ARG A 46 -5.941 13.676 -7.739 1.00 0.00 O ATOM 679 CB ARG A 46 -8.219 11.794 -6.180 1.00 0.00 C ATOM 680 CG ARG A 46 -8.684 10.353 -6.403 1.00 0.00 C ATOM 681 CD ARG A 46 -9.657 10.267 -7.579 1.00 0.00 C ATOM 682 NE ARG A 46 -9.002 9.608 -8.731 1.00 0.00 N ATOM 683 CZ ARG A 46 -8.287 10.256 -9.661 1.00 0.00 C ATOM 684 NH1 ARG A 46 -8.131 11.585 -9.580 1.00 0.00 N ATOM 685 NH2 ARG A 46 -7.728 9.576 -10.671 1.00 0.00 N ATOM 0 H ARG A 46 -6.650 10.993 -4.419 1.00 0.00 H new ATOM 0 HA ARG A 46 -6.364 11.259 -7.117 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -8.532 12.132 -5.192 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -8.696 12.451 -6.908 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -7.822 9.714 -6.593 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -9.166 9.979 -5.500 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -10.545 9.707 -7.286 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -9.988 11.266 -7.861 1.00 0.00 H new ATOM 0 HE ARG A 46 -9.101 8.597 -8.823 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -8.556 12.102 -8.811 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -7.587 12.079 -10.288 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -7.847 8.565 -10.732 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -7.184 10.070 -11.379 1.00 0.00 H new ATOM 699 N ARG A 47 -6.445 14.194 -5.596 1.00 0.00 N ATOM 700 CA ARG A 47 -6.123 15.603 -5.744 1.00 0.00 C ATOM 701 C ARG A 47 -4.725 15.769 -6.342 1.00 0.00 C ATOM 702 O ARG A 47 -4.445 16.763 -7.010 1.00 0.00 O ATOM 703 CB ARG A 47 -6.183 16.327 -4.397 1.00 0.00 C ATOM 704 CG ARG A 47 -7.615 16.367 -3.860 1.00 0.00 C ATOM 705 CD ARG A 47 -7.645 16.088 -2.356 1.00 0.00 C ATOM 706 NE ARG A 47 -8.221 17.247 -1.637 1.00 0.00 N ATOM 707 CZ ARG A 47 -7.520 18.330 -1.275 1.00 0.00 C ATOM 708 NH1 ARG A 47 -6.214 18.409 -1.561 1.00 0.00 N ATOM 709 NH2 ARG A 47 -8.126 19.333 -0.626 1.00 0.00 N ATOM 0 H ARG A 47 -6.762 13.925 -4.665 1.00 0.00 H new ATOM 0 HA ARG A 47 -6.863 16.043 -6.413 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -5.536 15.822 -3.680 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -5.804 17.343 -4.509 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -8.055 17.344 -4.061 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -8.224 15.629 -4.383 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -8.236 15.195 -2.155 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -6.636 15.890 -1.994 1.00 0.00 H new ATOM 0 HE ARG A 47 -9.213 17.219 -1.403 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -5.753 17.645 -2.054 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -5.681 19.234 -1.285 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -9.120 19.272 -0.408 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -7.593 20.158 -0.350 1.00 0.00 H new ATOM 723 N LYS A 48 -3.883 14.779 -6.081 1.00 0.00 N ATOM 724 CA LYS A 48 -2.521 14.802 -6.585 1.00 0.00 C ATOM 725 C LYS A 48 -2.523 14.419 -8.066 1.00 0.00 C ATOM 726 O LYS A 48 -1.626 14.808 -8.813 1.00 0.00 O ATOM 727 CB LYS A 48 -1.615 13.920 -5.723 1.00 0.00 C ATOM 728 CG LYS A 48 -1.743 14.285 -4.242 1.00 0.00 C ATOM 729 CD LYS A 48 -1.127 15.658 -3.961 1.00 0.00 C ATOM 730 CE LYS A 48 -1.384 16.088 -2.516 1.00 0.00 C ATOM 731 NZ LYS A 48 -2.039 17.415 -2.479 1.00 0.00 N ATOM 0 H LYS A 48 -4.119 13.956 -5.527 1.00 0.00 H new ATOM 0 HA LYS A 48 -2.107 15.808 -6.516 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -1.878 12.872 -5.867 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -0.579 14.036 -6.042 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -2.794 14.288 -3.954 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -1.248 13.529 -3.633 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -0.054 15.625 -4.149 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -1.547 16.396 -4.644 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -2.014 15.351 -2.018 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -0.442 16.125 -1.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -2.206 17.692 -1.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -1.424 18.118 -2.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -2.947 17.368 -2.984 1.00 0.00 H new ATOM 745 N GLY A 49 -3.540 13.661 -8.447 1.00 0.00 N ATOM 746 CA GLY A 49 -3.671 13.221 -9.825 1.00 0.00 C ATOM 747 C GLY A 49 -3.426 11.715 -9.946 1.00 0.00 C ATOM 748 O GLY A 49 -3.236 11.199 -11.046 1.00 0.00 O ATOM 0 H GLY A 49 -4.282 13.340 -7.825 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -4.668 13.462 -10.194 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -2.961 13.760 -10.452 1.00 0.00 H new ATOM 752 N PHE A 50 -3.440 11.052 -8.799 1.00 0.00 N ATOM 753 CA PHE A 50 -3.222 9.616 -8.762 1.00 0.00 C ATOM 754 C PHE A 50 -4.494 8.858 -9.146 1.00 0.00 C ATOM 755 O PHE A 50 -5.601 9.308 -8.854 1.00 0.00 O ATOM 756 CB PHE A 50 -2.844 9.258 -7.323 1.00 0.00 C ATOM 757 CG PHE A 50 -1.354 9.413 -7.014 1.00 0.00 C ATOM 758 CD1 PHE A 50 -0.434 8.711 -7.728 1.00 0.00 C ATOM 759 CD2 PHE A 50 -0.949 10.254 -6.024 1.00 0.00 C ATOM 760 CE1 PHE A 50 0.949 8.855 -7.441 1.00 0.00 C ATOM 761 CE2 PHE A 50 0.434 10.398 -5.737 1.00 0.00 C ATOM 762 CZ PHE A 50 1.354 9.695 -6.451 1.00 0.00 C ATOM 0 H PHE A 50 -3.599 11.483 -7.888 1.00 0.00 H new ATOM 0 HA PHE A 50 -2.440 9.340 -9.469 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -3.414 9.889 -6.641 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -3.140 8.228 -7.126 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -0.755 8.044 -8.514 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -1.679 10.812 -5.457 1.00 0.00 H new ATOM 0 HE1 PHE A 50 1.679 8.298 -8.009 1.00 0.00 H new ATOM 0 HE2 PHE A 50 0.756 11.066 -4.952 1.00 0.00 H new ATOM 0 HZ PHE A 50 2.406 9.804 -6.232 1.00 0.00 H new ATOM 772 N ARG A 51 -4.294 7.721 -9.796 1.00 0.00 N ATOM 773 CA ARG A 51 -5.411 6.897 -10.223 1.00 0.00 C ATOM 774 C ARG A 51 -5.880 6.001 -9.075 1.00 0.00 C ATOM 775 O ARG A 51 -5.563 4.813 -9.040 1.00 0.00 O ATOM 776 CB ARG A 51 -5.025 6.022 -11.418 1.00 0.00 C ATOM 777 CG ARG A 51 -6.251 5.312 -11.997 1.00 0.00 C ATOM 778 CD ARG A 51 -5.854 4.380 -13.143 1.00 0.00 C ATOM 779 NE ARG A 51 -6.798 4.536 -14.272 1.00 0.00 N ATOM 780 CZ ARG A 51 -8.112 4.286 -14.193 1.00 0.00 C ATOM 781 NH1 ARG A 51 -8.646 3.867 -13.038 1.00 0.00 N ATOM 782 NH2 ARG A 51 -8.892 4.456 -15.270 1.00 0.00 N ATOM 0 H ARG A 51 -3.375 7.351 -10.037 1.00 0.00 H new ATOM 0 HA ARG A 51 -6.220 7.564 -10.521 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -4.559 6.637 -12.188 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -4.285 5.284 -11.109 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -6.748 4.740 -11.214 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -6.968 6.051 -12.356 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -4.840 4.606 -13.472 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -5.854 3.346 -12.798 1.00 0.00 H new ATOM 0 HE ARG A 51 -6.425 4.854 -15.167 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -8.052 3.738 -12.219 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -9.646 3.677 -12.978 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -8.485 4.776 -16.149 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -9.892 4.266 -15.210 1.00 0.00 H new ATOM 796 N VAL A 52 -6.628 6.605 -8.163 1.00 0.00 N ATOM 797 CA VAL A 52 -7.144 5.877 -7.016 1.00 0.00 C ATOM 798 C VAL A 52 -8.376 5.075 -7.439 1.00 0.00 C ATOM 799 O VAL A 52 -9.152 5.521 -8.282 1.00 0.00 O ATOM 800 CB VAL A 52 -7.426 6.845 -5.866 1.00 0.00 C ATOM 801 CG1 VAL A 52 -7.874 6.091 -4.612 1.00 0.00 C ATOM 802 CG2 VAL A 52 -6.206 7.719 -5.573 1.00 0.00 C ATOM 0 H VAL A 52 -6.889 7.590 -8.195 1.00 0.00 H new ATOM 0 HA VAL A 52 -6.404 5.166 -6.650 1.00 0.00 H new ATOM 0 HB VAL A 52 -8.241 7.500 -6.172 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -8.068 6.803 -3.809 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -8.784 5.532 -4.829 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -7.089 5.401 -4.303 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -6.434 8.398 -4.751 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.363 7.086 -5.297 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -5.951 8.297 -6.461 1.00 0.00 H new ATOM 812 N GLU A 53 -8.517 3.905 -6.833 1.00 0.00 N ATOM 813 CA GLU A 53 -9.642 3.036 -7.136 1.00 0.00 C ATOM 814 C GLU A 53 -10.320 2.575 -5.844 1.00 0.00 C ATOM 815 O GLU A 53 -9.656 2.376 -4.828 1.00 0.00 O ATOM 816 CB GLU A 53 -9.199 1.840 -7.981 1.00 0.00 C ATOM 817 CG GLU A 53 -8.518 2.301 -9.271 1.00 0.00 C ATOM 818 CD GLU A 53 -9.538 2.883 -10.251 1.00 0.00 C ATOM 819 OE1 GLU A 53 -9.814 4.096 -10.130 1.00 0.00 O ATOM 820 OE2 GLU A 53 -10.018 2.102 -11.100 1.00 0.00 O ATOM 0 H GLU A 53 -7.871 3.539 -6.134 1.00 0.00 H new ATOM 0 HA GLU A 53 -10.367 3.603 -7.721 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -8.513 1.218 -7.406 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -10.063 1.221 -8.223 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -7.762 3.051 -9.039 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -8.002 1.460 -9.734 1.00 0.00 H new ATOM 827 N ASN A 54 -11.633 2.418 -5.926 1.00 0.00 N ATOM 828 CA ASN A 54 -12.407 1.983 -4.776 1.00 0.00 C ATOM 829 C ASN A 54 -12.219 0.478 -4.579 1.00 0.00 C ATOM 830 O ASN A 54 -12.037 0.013 -3.454 1.00 0.00 O ATOM 831 CB ASN A 54 -13.899 2.250 -4.984 1.00 0.00 C ATOM 832 CG ASN A 54 -14.359 3.460 -4.169 1.00 0.00 C ATOM 833 OD1 ASN A 54 -13.867 4.567 -4.320 1.00 0.00 O ATOM 834 ND2 ASN A 54 -15.327 3.190 -3.298 1.00 0.00 N ATOM 0 H ASN A 54 -12.180 2.584 -6.771 1.00 0.00 H new ATOM 0 HA ASN A 54 -12.059 2.539 -3.906 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -14.097 2.423 -6.042 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -14.473 1.371 -4.692 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -15.702 3.931 -2.706 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -15.695 2.242 -3.222 1.00 0.00 H new ATOM 841 N GLU A 55 -12.269 -0.243 -5.689 1.00 0.00 N ATOM 842 CA GLU A 55 -12.106 -1.686 -5.653 1.00 0.00 C ATOM 843 C GLU A 55 -10.908 -2.107 -6.505 1.00 0.00 C ATOM 844 O GLU A 55 -10.544 -1.416 -7.456 1.00 0.00 O ATOM 845 CB GLU A 55 -13.382 -2.394 -6.114 1.00 0.00 C ATOM 846 CG GLU A 55 -14.520 -2.180 -5.113 1.00 0.00 C ATOM 847 CD GLU A 55 -15.461 -3.386 -5.088 1.00 0.00 C ATOM 848 OE1 GLU A 55 -15.013 -4.446 -4.600 1.00 0.00 O ATOM 849 OE2 GLU A 55 -16.608 -3.221 -5.557 1.00 0.00 O ATOM 0 H GLU A 55 -12.420 0.146 -6.620 1.00 0.00 H new ATOM 0 HA GLU A 55 -11.916 -1.984 -4.622 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -13.678 -2.017 -7.093 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -13.189 -3.461 -6.228 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -14.108 -2.015 -4.118 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -15.079 -1.283 -5.379 1.00 0.00 H new ATOM 856 N LEU A 56 -10.326 -3.238 -6.135 1.00 0.00 N ATOM 857 CA LEU A 56 -9.176 -3.759 -6.854 1.00 0.00 C ATOM 858 C LEU A 56 -9.534 -3.920 -8.332 1.00 0.00 C ATOM 859 O LEU A 56 -10.705 -4.063 -8.679 1.00 0.00 O ATOM 860 CB LEU A 56 -8.674 -5.048 -6.199 1.00 0.00 C ATOM 861 CG LEU A 56 -7.645 -5.849 -6.999 1.00 0.00 C ATOM 862 CD1 LEU A 56 -6.253 -5.225 -6.882 1.00 0.00 C ATOM 863 CD2 LEU A 56 -7.650 -7.321 -6.580 1.00 0.00 C ATOM 0 H LEU A 56 -10.630 -3.809 -5.346 1.00 0.00 H new ATOM 0 HA LEU A 56 -8.344 -3.057 -6.802 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -8.237 -4.795 -5.233 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -9.532 -5.690 -6.002 1.00 0.00 H new ATOM 0 HG LEU A 56 -7.927 -5.812 -8.051 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -5.541 -5.814 -7.460 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -6.278 -4.205 -7.267 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -5.948 -5.211 -5.836 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -6.910 -7.868 -7.164 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -7.406 -7.399 -5.520 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -8.638 -7.746 -6.757 1.00 0.00 H new ATOM 875 N SER A 57 -8.503 -3.890 -9.164 1.00 0.00 N ATOM 876 CA SER A 57 -8.694 -4.030 -10.598 1.00 0.00 C ATOM 877 C SER A 57 -7.376 -4.426 -11.265 1.00 0.00 C ATOM 878 O SER A 57 -6.337 -4.487 -10.609 1.00 0.00 O ATOM 879 CB SER A 57 -9.232 -2.736 -11.211 1.00 0.00 C ATOM 880 OG SER A 57 -10.652 -2.750 -11.328 1.00 0.00 O ATOM 0 H SER A 57 -7.533 -3.771 -8.873 1.00 0.00 H new ATOM 0 HA SER A 57 -9.431 -4.815 -10.770 1.00 0.00 H new ATOM 0 HB2 SER A 57 -8.927 -1.889 -10.596 1.00 0.00 H new ATOM 0 HB3 SER A 57 -8.789 -2.590 -12.196 1.00 0.00 H new ATOM 0 HG SER A 57 -11.042 -3.166 -10.531 1.00 0.00 H new ATOM 886 N ASP A 58 -7.460 -4.685 -12.562 1.00 0.00 N ATOM 887 CA ASP A 58 -6.287 -5.074 -13.326 1.00 0.00 C ATOM 888 C ASP A 58 -5.418 -3.840 -13.579 1.00 0.00 C ATOM 889 O ASP A 58 -4.341 -3.945 -14.164 1.00 0.00 O ATOM 890 CB ASP A 58 -6.682 -5.661 -14.682 1.00 0.00 C ATOM 891 CG ASP A 58 -6.908 -4.631 -15.791 1.00 0.00 C ATOM 892 OD1 ASP A 58 -5.891 -4.143 -16.329 1.00 0.00 O ATOM 893 OD2 ASP A 58 -8.094 -4.356 -16.076 1.00 0.00 O ATOM 0 H ASP A 58 -8.323 -4.633 -13.103 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.745 -5.826 -12.753 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.903 -6.353 -15.002 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -7.594 -6.244 -14.557 1.00 0.00 H new ATOM 898 N SER A 59 -5.918 -2.700 -13.127 1.00 0.00 N ATOM 899 CA SER A 59 -5.201 -1.448 -13.297 1.00 0.00 C ATOM 900 C SER A 59 -4.406 -1.123 -12.031 1.00 0.00 C ATOM 901 O SER A 59 -3.482 -0.312 -12.064 1.00 0.00 O ATOM 902 CB SER A 59 -6.161 -0.304 -13.630 1.00 0.00 C ATOM 903 OG SER A 59 -7.103 -0.672 -14.633 1.00 0.00 O ATOM 0 H SER A 59 -6.812 -2.617 -12.643 1.00 0.00 H new ATOM 0 HA SER A 59 -4.510 -1.561 -14.132 1.00 0.00 H new ATOM 0 HB2 SER A 59 -6.692 -0.002 -12.727 1.00 0.00 H new ATOM 0 HB3 SER A 59 -5.591 0.561 -13.968 1.00 0.00 H new ATOM 0 HG SER A 59 -7.699 0.085 -14.816 1.00 0.00 H new ATOM 909 N VAL A 60 -4.796 -1.773 -10.943 1.00 0.00 N ATOM 910 CA VAL A 60 -4.132 -1.563 -9.668 1.00 0.00 C ATOM 911 C VAL A 60 -2.672 -2.008 -9.779 1.00 0.00 C ATOM 912 O VAL A 60 -2.393 -3.188 -9.985 1.00 0.00 O ATOM 913 CB VAL A 60 -4.894 -2.286 -8.556 1.00 0.00 C ATOM 914 CG1 VAL A 60 -4.111 -2.252 -7.242 1.00 0.00 C ATOM 915 CG2 VAL A 60 -6.293 -1.695 -8.376 1.00 0.00 C ATOM 0 H VAL A 60 -5.563 -2.445 -10.919 1.00 0.00 H new ATOM 0 HA VAL A 60 -4.131 -0.505 -9.408 1.00 0.00 H new ATOM 0 HB VAL A 60 -5.007 -3.329 -8.851 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.675 -2.773 -6.469 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.147 -2.742 -7.380 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.952 -1.217 -6.940 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -6.813 -2.227 -7.580 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -6.211 -0.640 -8.114 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.853 -1.796 -9.306 1.00 0.00 H new ATOM 925 N THR A 61 -1.779 -1.039 -9.638 1.00 0.00 N ATOM 926 CA THR A 61 -0.355 -1.316 -9.719 1.00 0.00 C ATOM 927 C THR A 61 0.305 -1.121 -8.353 1.00 0.00 C ATOM 928 O THR A 61 1.423 -1.582 -8.129 1.00 0.00 O ATOM 929 CB THR A 61 0.237 -0.425 -10.813 1.00 0.00 C ATOM 930 OG1 THR A 61 0.037 0.900 -10.328 1.00 0.00 O ATOM 931 CG2 THR A 61 -0.572 -0.473 -12.110 1.00 0.00 C ATOM 0 H THR A 61 -2.014 -0.061 -9.468 1.00 0.00 H new ATOM 0 HA THR A 61 -0.168 -2.355 -9.989 1.00 0.00 H new ATOM 0 HB THR A 61 1.263 -0.732 -11.014 1.00 0.00 H new ATOM 0 HG1 THR A 61 0.469 0.997 -9.454 1.00 0.00 H new ATOM 0 HG21 THR A 61 -0.108 0.177 -12.852 1.00 0.00 H new ATOM 0 HG22 THR A 61 -0.595 -1.496 -12.487 1.00 0.00 H new ATOM 0 HG23 THR A 61 -1.590 -0.135 -11.917 1.00 0.00 H new ATOM 939 N HIS A 62 -0.414 -0.437 -7.476 1.00 0.00 N ATOM 940 CA HIS A 62 0.088 -0.176 -6.137 1.00 0.00 C ATOM 941 C HIS A 62 -1.054 -0.305 -5.127 1.00 0.00 C ATOM 942 O HIS A 62 -2.059 0.396 -5.228 1.00 0.00 O ATOM 943 CB HIS A 62 0.784 1.185 -6.075 1.00 0.00 C ATOM 944 CG HIS A 62 1.746 1.436 -7.211 1.00 0.00 C ATOM 945 ND1 HIS A 62 1.415 2.192 -8.322 1.00 0.00 N ATOM 946 CD2 HIS A 62 3.033 1.023 -7.396 1.00 0.00 C ATOM 947 CE1 HIS A 62 2.462 2.226 -9.133 1.00 0.00 C ATOM 948 NE2 HIS A 62 3.464 1.501 -8.558 1.00 0.00 N ATOM 0 H HIS A 62 -1.341 -0.055 -7.666 1.00 0.00 H new ATOM 0 HA HIS A 62 0.843 -0.918 -5.876 1.00 0.00 H new ATOM 0 HB2 HIS A 62 0.027 1.969 -6.074 1.00 0.00 H new ATOM 0 HB3 HIS A 62 1.324 1.263 -5.131 1.00 0.00 H new ATOM 0 HD2 HIS A 62 3.604 0.411 -6.714 1.00 0.00 H new ATOM 0 HE1 HIS A 62 2.513 2.738 -10.083 1.00 0.00 H new ATOM 0 HE2 HIS A 62 4.392 1.351 -8.955 1.00 0.00 H new ATOM 956 N ILE A 63 -0.859 -1.206 -4.175 1.00 0.00 N ATOM 957 CA ILE A 63 -1.860 -1.436 -3.147 1.00 0.00 C ATOM 958 C ILE A 63 -1.358 -0.869 -1.817 1.00 0.00 C ATOM 959 O ILE A 63 -0.250 -1.180 -1.385 1.00 0.00 O ATOM 960 CB ILE A 63 -2.231 -2.919 -3.082 1.00 0.00 C ATOM 961 CG1 ILE A 63 -3.135 -3.310 -4.253 1.00 0.00 C ATOM 962 CG2 ILE A 63 -2.858 -3.269 -1.731 1.00 0.00 C ATOM 963 CD1 ILE A 63 -3.391 -4.818 -4.268 1.00 0.00 C ATOM 0 H ILE A 63 -0.023 -1.785 -4.094 1.00 0.00 H new ATOM 0 HA ILE A 63 -2.784 -0.911 -3.390 1.00 0.00 H new ATOM 0 HB ILE A 63 -1.316 -3.504 -3.173 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -4.083 -2.777 -4.179 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -2.672 -3.007 -5.192 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -3.112 -4.329 -1.712 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -2.148 -3.051 -0.933 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -3.761 -2.676 -1.585 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -4.036 -5.069 -5.110 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -2.443 -5.347 -4.367 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -3.876 -5.114 -3.338 1.00 0.00 H new ATOM 975 N VAL A 64 -2.199 -0.047 -1.206 1.00 0.00 N ATOM 976 CA VAL A 64 -1.855 0.566 0.065 1.00 0.00 C ATOM 977 C VAL A 64 -2.548 -0.195 1.198 1.00 0.00 C ATOM 978 O VAL A 64 -3.702 -0.597 1.064 1.00 0.00 O ATOM 979 CB VAL A 64 -2.208 2.055 0.041 1.00 0.00 C ATOM 980 CG1 VAL A 64 -1.912 2.711 1.391 1.00 0.00 C ATOM 981 CG2 VAL A 64 -1.473 2.774 -1.091 1.00 0.00 C ATOM 0 H VAL A 64 -3.118 0.208 -1.568 1.00 0.00 H new ATOM 0 HA VAL A 64 -0.781 0.503 0.241 1.00 0.00 H new ATOM 0 HB VAL A 64 -3.278 2.142 -0.146 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -2.172 3.769 1.346 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -2.501 2.225 2.169 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -0.852 2.607 1.621 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -1.741 3.830 -1.086 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -0.397 2.672 -0.949 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -1.756 2.332 -2.047 1.00 0.00 H new ATOM 991 N ALA A 65 -1.813 -0.368 2.287 1.00 0.00 N ATOM 992 CA ALA A 65 -2.343 -1.074 3.441 1.00 0.00 C ATOM 993 C ALA A 65 -1.822 -0.414 4.720 1.00 0.00 C ATOM 994 O ALA A 65 -0.685 0.055 4.762 1.00 0.00 O ATOM 995 CB ALA A 65 -1.965 -2.554 3.354 1.00 0.00 C ATOM 0 H ALA A 65 -0.856 -0.032 2.394 1.00 0.00 H new ATOM 0 HA ALA A 65 -3.431 -1.017 3.459 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -2.363 -3.083 4.220 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -2.383 -2.983 2.443 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -0.880 -2.652 3.336 1.00 0.00 H new ATOM 1001 N GLU A 66 -2.678 -0.398 5.731 1.00 0.00 N ATOM 1002 CA GLU A 66 -2.318 0.196 7.007 1.00 0.00 C ATOM 1003 C GLU A 66 -2.392 -0.850 8.120 1.00 0.00 C ATOM 1004 O GLU A 66 -3.396 -1.550 8.254 1.00 0.00 O ATOM 1005 CB GLU A 66 -3.211 1.398 7.323 1.00 0.00 C ATOM 1006 CG GLU A 66 -2.883 1.977 8.701 1.00 0.00 C ATOM 1007 CD GLU A 66 -3.415 3.405 8.836 1.00 0.00 C ATOM 1008 OE1 GLU A 66 -3.307 4.148 7.837 1.00 0.00 O ATOM 1009 OE2 GLU A 66 -3.919 3.721 9.935 1.00 0.00 O ATOM 0 H GLU A 66 -3.620 -0.787 5.692 1.00 0.00 H new ATOM 0 HA GLU A 66 -1.291 0.555 6.942 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -3.077 2.166 6.561 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -4.258 1.096 7.291 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -3.319 1.348 9.477 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -1.804 1.971 8.855 1.00 0.00 H new ATOM 1016 N ASN A 67 -1.318 -0.925 8.891 1.00 0.00 N ATOM 1017 CA ASN A 67 -1.249 -1.875 9.989 1.00 0.00 C ATOM 1018 C ASN A 67 -1.365 -3.297 9.435 1.00 0.00 C ATOM 1019 O ASN A 67 -1.769 -4.213 10.149 1.00 0.00 O ATOM 1020 CB ASN A 67 -2.395 -1.657 10.978 1.00 0.00 C ATOM 1021 CG ASN A 67 -2.359 -0.241 11.556 1.00 0.00 C ATOM 1022 OD1 ASN A 67 -1.310 0.328 11.808 1.00 0.00 O ATOM 1023 ND2 ASN A 67 -3.561 0.294 11.751 1.00 0.00 N ATOM 0 H ASN A 67 -0.488 -0.343 8.778 1.00 0.00 H new ATOM 0 HA ASN A 67 -0.298 -1.730 10.502 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -3.349 -1.825 10.478 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -2.326 -2.385 11.786 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -3.644 1.236 12.133 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -4.400 -0.238 11.518 1.00 0.00 H new ATOM 1030 N ASN A 68 -1.004 -3.436 8.168 1.00 0.00 N ATOM 1031 CA ASN A 68 -1.063 -4.730 7.511 1.00 0.00 C ATOM 1032 C ASN A 68 0.308 -5.060 6.918 1.00 0.00 C ATOM 1033 O ASN A 68 0.955 -4.199 6.324 1.00 0.00 O ATOM 1034 CB ASN A 68 -2.082 -4.722 6.369 1.00 0.00 C ATOM 1035 CG ASN A 68 -3.474 -5.107 6.874 1.00 0.00 C ATOM 1036 OD1 ASN A 68 -3.749 -6.248 7.207 1.00 0.00 O ATOM 1037 ND2 ASN A 68 -4.335 -4.093 6.912 1.00 0.00 N ATOM 0 H ASN A 68 -0.669 -2.673 7.579 1.00 0.00 H new ATOM 0 HA ASN A 68 -1.358 -5.471 8.253 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -2.117 -3.732 5.915 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -1.768 -5.418 5.591 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -5.290 -4.247 7.234 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -4.040 -3.162 6.619 1.00 0.00 H new ATOM 1044 N SER A 69 0.712 -6.308 7.101 1.00 0.00 N ATOM 1045 CA SER A 69 1.995 -6.762 6.592 1.00 0.00 C ATOM 1046 C SER A 69 1.848 -7.225 5.141 1.00 0.00 C ATOM 1047 O SER A 69 0.765 -7.628 4.721 1.00 0.00 O ATOM 1048 CB SER A 69 2.562 -7.892 7.455 1.00 0.00 C ATOM 1049 OG SER A 69 2.521 -7.575 8.843 1.00 0.00 O ATOM 0 H SER A 69 0.173 -7.020 7.595 1.00 0.00 H new ATOM 0 HA SER A 69 2.693 -5.926 6.631 1.00 0.00 H new ATOM 0 HB2 SER A 69 1.995 -8.805 7.275 1.00 0.00 H new ATOM 0 HB3 SER A 69 3.592 -8.092 7.159 1.00 0.00 H new ATOM 0 HG SER A 69 2.890 -8.321 9.360 1.00 0.00 H new ATOM 1055 N GLY A 70 2.954 -7.150 4.415 1.00 0.00 N ATOM 1056 CA GLY A 70 2.963 -7.556 3.020 1.00 0.00 C ATOM 1057 C GLY A 70 2.071 -8.780 2.800 1.00 0.00 C ATOM 1058 O GLY A 70 1.198 -8.769 1.934 1.00 0.00 O ATOM 0 H GLY A 70 3.850 -6.814 4.767 1.00 0.00 H new ATOM 0 HA2 GLY A 70 2.617 -6.732 2.395 1.00 0.00 H new ATOM 0 HA3 GLY A 70 3.983 -7.784 2.710 1.00 0.00 H new ATOM 1062 N SER A 71 2.323 -9.807 3.599 1.00 0.00 N ATOM 1063 CA SER A 71 1.555 -11.036 3.503 1.00 0.00 C ATOM 1064 C SER A 71 0.061 -10.731 3.629 1.00 0.00 C ATOM 1065 O SER A 71 -0.725 -11.084 2.751 1.00 0.00 O ATOM 1066 CB SER A 71 1.984 -12.040 4.575 1.00 0.00 C ATOM 1067 OG SER A 71 2.098 -11.433 5.859 1.00 0.00 O ATOM 0 H SER A 71 3.049 -9.813 4.316 1.00 0.00 H new ATOM 0 HA SER A 71 1.747 -11.483 2.528 1.00 0.00 H new ATOM 0 HB2 SER A 71 1.259 -12.853 4.621 1.00 0.00 H new ATOM 0 HB3 SER A 71 2.941 -12.481 4.296 1.00 0.00 H new ATOM 0 HG SER A 71 2.372 -12.107 6.516 1.00 0.00 H new ATOM 1073 N ASP A 72 -0.286 -10.079 4.729 1.00 0.00 N ATOM 1074 CA ASP A 72 -1.672 -9.722 4.982 1.00 0.00 C ATOM 1075 C ASP A 72 -2.307 -9.210 3.687 1.00 0.00 C ATOM 1076 O ASP A 72 -3.509 -9.366 3.477 1.00 0.00 O ATOM 1077 CB ASP A 72 -1.772 -8.610 6.029 1.00 0.00 C ATOM 1078 CG ASP A 72 -2.290 -9.056 7.398 1.00 0.00 C ATOM 1079 OD1 ASP A 72 -2.401 -10.287 7.589 1.00 0.00 O ATOM 1080 OD2 ASP A 72 -2.563 -8.157 8.222 1.00 0.00 O ATOM 0 H ASP A 72 0.369 -9.789 5.455 1.00 0.00 H new ATOM 0 HA ASP A 72 -2.187 -10.610 5.348 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -0.786 -8.163 6.158 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -2.428 -7.829 5.646 1.00 0.00 H new ATOM 1085 N VAL A 73 -1.471 -8.610 2.853 1.00 0.00 N ATOM 1086 CA VAL A 73 -1.935 -8.075 1.584 1.00 0.00 C ATOM 1087 C VAL A 73 -1.689 -9.105 0.480 1.00 0.00 C ATOM 1088 O VAL A 73 -2.481 -9.221 -0.453 1.00 0.00 O ATOM 1089 CB VAL A 73 -1.263 -6.729 1.307 1.00 0.00 C ATOM 1090 CG1 VAL A 73 -1.880 -6.050 0.082 1.00 0.00 C ATOM 1091 CG2 VAL A 73 -1.336 -5.817 2.533 1.00 0.00 C ATOM 0 H VAL A 73 -0.475 -8.482 3.031 1.00 0.00 H new ATOM 0 HA VAL A 73 -3.008 -7.886 1.618 1.00 0.00 H new ATOM 0 HB VAL A 73 -0.211 -6.918 1.092 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -1.384 -5.095 -0.093 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -1.753 -6.690 -0.791 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -2.943 -5.881 0.256 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -0.851 -4.867 2.309 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -2.380 -5.639 2.793 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -0.829 -6.294 3.372 1.00 0.00 H new ATOM 1101 N LEU A 74 -0.587 -9.826 0.623 1.00 0.00 N ATOM 1102 CA LEU A 74 -0.226 -10.843 -0.350 1.00 0.00 C ATOM 1103 C LEU A 74 -1.280 -11.952 -0.338 1.00 0.00 C ATOM 1104 O LEU A 74 -1.709 -12.417 -1.393 1.00 0.00 O ATOM 1105 CB LEU A 74 1.197 -11.345 -0.099 1.00 0.00 C ATOM 1106 CG LEU A 74 1.318 -12.752 0.489 1.00 0.00 C ATOM 1107 CD1 LEU A 74 0.868 -13.809 -0.522 1.00 0.00 C ATOM 1108 CD2 LEU A 74 2.737 -13.013 0.998 1.00 0.00 C ATOM 0 H LEU A 74 0.068 -9.726 1.398 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.218 -10.421 -1.355 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.742 -11.319 -1.043 1.00 0.00 H new ATOM 0 HB3 LEU A 74 1.694 -10.647 0.575 1.00 0.00 H new ATOM 0 HG LEU A 74 0.650 -12.822 1.347 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.964 -14.800 -0.079 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.173 -13.632 -0.794 1.00 0.00 H new ATOM 0 HD13 LEU A 74 1.492 -13.748 -1.414 1.00 0.00 H new ATOM 0 HD21 LEU A 74 2.796 -14.020 1.411 1.00 0.00 H new ATOM 0 HD22 LEU A 74 3.443 -12.917 0.173 1.00 0.00 H new ATOM 0 HD23 LEU A 74 2.985 -12.288 1.773 1.00 0.00 H new ATOM 1120 N GLU A 75 -1.667 -12.343 0.867 1.00 0.00 N ATOM 1121 CA GLU A 75 -2.663 -13.388 1.031 1.00 0.00 C ATOM 1122 C GLU A 75 -4.024 -12.910 0.520 1.00 0.00 C ATOM 1123 O GLU A 75 -4.695 -13.621 -0.227 1.00 0.00 O ATOM 1124 CB GLU A 75 -2.752 -13.837 2.491 1.00 0.00 C ATOM 1125 CG GLU A 75 -4.203 -13.839 2.976 1.00 0.00 C ATOM 1126 CD GLU A 75 -5.014 -14.931 2.275 1.00 0.00 C ATOM 1127 OE1 GLU A 75 -4.383 -15.730 1.551 1.00 0.00 O ATOM 1128 OE2 GLU A 75 -6.247 -14.941 2.479 1.00 0.00 O ATOM 0 H GLU A 75 -1.309 -11.955 1.740 1.00 0.00 H new ATOM 0 HA GLU A 75 -2.357 -14.250 0.438 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -2.329 -14.836 2.594 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -2.156 -13.172 3.117 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -4.230 -13.997 4.054 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -4.655 -12.866 2.785 1.00 0.00 H new ATOM 1135 N TRP A 76 -4.390 -11.709 0.943 1.00 0.00 N ATOM 1136 CA TRP A 76 -5.658 -11.128 0.538 1.00 0.00 C ATOM 1137 C TRP A 76 -5.704 -11.113 -0.991 1.00 0.00 C ATOM 1138 O TRP A 76 -6.754 -11.350 -1.586 1.00 0.00 O ATOM 1139 CB TRP A 76 -5.848 -9.741 1.156 1.00 0.00 C ATOM 1140 CG TRP A 76 -7.051 -8.973 0.604 1.00 0.00 C ATOM 1141 CD1 TRP A 76 -8.266 -8.838 1.154 1.00 0.00 C ATOM 1142 CD2 TRP A 76 -7.106 -8.236 -0.635 1.00 0.00 C ATOM 1143 NE1 TRP A 76 -9.096 -8.070 0.362 1.00 0.00 N ATOM 1144 CE2 TRP A 76 -8.368 -7.693 -0.760 1.00 0.00 C ATOM 1145 CE3 TRP A 76 -6.121 -8.036 -1.619 1.00 0.00 C ATOM 1146 CZ2 TRP A 76 -8.763 -6.914 -1.854 1.00 0.00 C ATOM 1147 CZ3 TRP A 76 -6.531 -7.254 -2.706 1.00 0.00 C ATOM 1148 CH2 TRP A 76 -7.798 -6.700 -2.846 1.00 0.00 C ATOM 0 H TRP A 76 -3.830 -11.123 1.562 1.00 0.00 H new ATOM 0 HA TRP A 76 -6.492 -11.727 0.905 1.00 0.00 H new ATOM 0 HB2 TRP A 76 -5.962 -9.848 2.235 1.00 0.00 H new ATOM 0 HB3 TRP A 76 -4.946 -9.153 0.987 1.00 0.00 H new ATOM 0 HD1 TRP A 76 -8.559 -9.275 2.097 1.00 0.00 H new ATOM 0 HE1 TRP A 76 -10.065 -7.824 0.563 1.00 0.00 H new ATOM 0 HE3 TRP A 76 -5.127 -8.452 -1.542 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 -9.758 -6.501 -1.929 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 -5.812 -7.068 -3.490 1.00 0.00 H new ATOM 0 HH2 TRP A 76 -8.037 -6.107 -3.716 1.00 0.00 H new ATOM 1159 N LEU A 77 -4.553 -10.831 -1.583 1.00 0.00 N ATOM 1160 CA LEU A 77 -4.449 -10.782 -3.032 1.00 0.00 C ATOM 1161 C LEU A 77 -4.906 -12.119 -3.617 1.00 0.00 C ATOM 1162 O LEU A 77 -5.837 -12.164 -4.419 1.00 0.00 O ATOM 1163 CB LEU A 77 -3.035 -10.377 -3.453 1.00 0.00 C ATOM 1164 CG LEU A 77 -2.940 -9.250 -4.485 1.00 0.00 C ATOM 1165 CD1 LEU A 77 -4.104 -9.314 -5.475 1.00 0.00 C ATOM 1166 CD2 LEU A 77 -2.844 -7.886 -3.799 1.00 0.00 C ATOM 0 H LEU A 77 -3.684 -10.634 -1.086 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.109 -10.015 -3.436 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.484 -10.075 -2.562 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.531 -11.256 -3.856 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.023 -9.387 -5.058 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -4.013 -8.503 -6.197 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -4.084 -10.270 -5.999 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -5.046 -9.215 -4.936 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -2.778 -7.103 -4.554 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.730 -7.724 -3.185 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.956 -7.858 -3.168 1.00 0.00 H new ATOM 1178 N GLN A 78 -4.229 -13.177 -3.194 1.00 0.00 N ATOM 1179 CA GLN A 78 -4.554 -14.512 -3.666 1.00 0.00 C ATOM 1180 C GLN A 78 -6.033 -14.816 -3.420 1.00 0.00 C ATOM 1181 O GLN A 78 -6.643 -15.588 -4.159 1.00 0.00 O ATOM 1182 CB GLN A 78 -3.660 -15.561 -3.002 1.00 0.00 C ATOM 1183 CG GLN A 78 -2.199 -15.377 -3.415 1.00 0.00 C ATOM 1184 CD GLN A 78 -1.507 -16.729 -3.599 1.00 0.00 C ATOM 1185 OE1 GLN A 78 -1.171 -17.139 -4.699 1.00 0.00 O ATOM 1186 NE2 GLN A 78 -1.312 -17.396 -2.466 1.00 0.00 N ATOM 0 H GLN A 78 -3.456 -13.136 -2.529 1.00 0.00 H new ATOM 0 HA GLN A 78 -4.369 -14.552 -4.739 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -3.748 -15.485 -1.918 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -3.997 -16.560 -3.280 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -2.149 -14.809 -4.344 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -1.674 -14.796 -2.657 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -1.618 -16.995 -1.579 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -0.857 -18.309 -2.483 1.00 0.00 H new ATOM 1195 N ALA A 79 -6.568 -14.194 -2.380 1.00 0.00 N ATOM 1196 CA ALA A 79 -7.964 -14.389 -2.027 1.00 0.00 C ATOM 1197 C ALA A 79 -8.850 -13.758 -3.103 1.00 0.00 C ATOM 1198 O ALA A 79 -9.898 -14.302 -3.447 1.00 0.00 O ATOM 1199 CB ALA A 79 -8.226 -13.804 -0.638 1.00 0.00 C ATOM 0 H ALA A 79 -6.060 -13.554 -1.770 1.00 0.00 H new ATOM 0 HA ALA A 79 -8.205 -15.451 -1.983 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -9.273 -13.950 -0.373 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -7.593 -14.306 0.094 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -7.999 -12.738 -0.643 1.00 0.00 H new ATOM 1205 N GLN A 80 -8.396 -12.618 -3.604 1.00 0.00 N ATOM 1206 CA GLN A 80 -9.135 -11.907 -4.634 1.00 0.00 C ATOM 1207 C GLN A 80 -9.432 -12.837 -5.812 1.00 0.00 C ATOM 1208 O GLN A 80 -8.620 -13.698 -6.148 1.00 0.00 O ATOM 1209 CB GLN A 80 -8.373 -10.663 -5.095 1.00 0.00 C ATOM 1210 CG GLN A 80 -8.167 -9.685 -3.937 1.00 0.00 C ATOM 1211 CD GLN A 80 -9.467 -9.479 -3.156 1.00 0.00 C ATOM 1212 OE1 GLN A 80 -9.471 -10.047 -1.953 1.00 0.00 O flip ATOM 1213 NE2 GLN A 80 -10.404 -8.847 -3.615 1.00 0.00 N flip ATOM 0 H GLN A 80 -7.526 -12.169 -3.316 1.00 0.00 H new ATOM 0 HA GLN A 80 -10.083 -11.576 -4.211 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -7.406 -10.956 -5.505 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -8.924 -10.171 -5.897 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -7.393 -10.064 -3.269 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -7.814 -8.728 -4.322 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -10.335 -8.437 -4.546 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -11.257 -8.729 -3.068 1.00 0.00 H new ATOM 1222 N LYS A 81 -10.597 -12.631 -6.408 1.00 0.00 N ATOM 1223 CA LYS A 81 -11.011 -13.440 -7.542 1.00 0.00 C ATOM 1224 C LYS A 81 -10.901 -12.611 -8.822 1.00 0.00 C ATOM 1225 O LYS A 81 -11.296 -13.063 -9.895 1.00 0.00 O ATOM 1226 CB LYS A 81 -12.406 -14.022 -7.304 1.00 0.00 C ATOM 1227 CG LYS A 81 -12.935 -14.712 -8.563 1.00 0.00 C ATOM 1228 CD LYS A 81 -13.821 -15.906 -8.203 1.00 0.00 C ATOM 1229 CE LYS A 81 -13.437 -17.140 -9.021 1.00 0.00 C ATOM 1230 NZ LYS A 81 -12.184 -17.736 -8.504 1.00 0.00 N ATOM 0 H LYS A 81 -11.268 -11.916 -6.127 1.00 0.00 H new ATOM 0 HA LYS A 81 -10.349 -14.298 -7.660 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -12.370 -14.736 -6.481 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -13.090 -13.227 -7.006 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -13.504 -14.000 -9.161 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -12.099 -15.047 -9.177 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -13.726 -16.126 -7.140 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -14.866 -15.656 -8.385 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -14.240 -17.875 -8.980 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -13.311 -16.865 -10.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -11.938 -18.573 -9.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -11.416 -17.038 -8.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -12.317 -18.017 -7.512 1.00 0.00 H new ATOM 1244 N VAL A 82 -10.362 -11.410 -8.667 1.00 0.00 N ATOM 1245 CA VAL A 82 -10.194 -10.513 -9.798 1.00 0.00 C ATOM 1246 C VAL A 82 -8.808 -10.725 -10.411 1.00 0.00 C ATOM 1247 O VAL A 82 -7.794 -10.451 -9.771 1.00 0.00 O ATOM 1248 CB VAL A 82 -10.439 -9.068 -9.360 1.00 0.00 C ATOM 1249 CG1 VAL A 82 -9.590 -8.714 -8.138 1.00 0.00 C ATOM 1250 CG2 VAL A 82 -10.178 -8.094 -10.511 1.00 0.00 C ATOM 0 H VAL A 82 -10.036 -11.037 -7.775 1.00 0.00 H new ATOM 0 HA VAL A 82 -10.929 -10.733 -10.572 1.00 0.00 H new ATOM 0 HB VAL A 82 -11.488 -8.977 -9.076 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -9.783 -7.681 -7.847 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -9.847 -9.377 -7.312 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -8.534 -8.831 -8.382 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -10.360 -7.074 -10.173 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -9.143 -8.188 -10.840 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -10.845 -8.325 -11.341 1.00 0.00 H new ATOM 1260 N GLN A 83 -8.810 -11.212 -11.643 1.00 0.00 N ATOM 1261 CA GLN A 83 -7.565 -11.464 -12.349 1.00 0.00 C ATOM 1262 C GLN A 83 -6.912 -10.143 -12.761 1.00 0.00 C ATOM 1263 O GLN A 83 -7.355 -9.497 -13.710 1.00 0.00 O ATOM 1264 CB GLN A 83 -7.797 -12.364 -13.565 1.00 0.00 C ATOM 1265 CG GLN A 83 -8.712 -11.683 -14.585 1.00 0.00 C ATOM 1266 CD GLN A 83 -9.494 -12.717 -15.397 1.00 0.00 C ATOM 1267 OE1 GLN A 83 -9.240 -12.947 -16.567 1.00 0.00 O ATOM 1268 NE2 GLN A 83 -10.457 -13.327 -14.711 1.00 0.00 N ATOM 0 H GLN A 83 -9.653 -11.439 -12.170 1.00 0.00 H new ATOM 0 HA GLN A 83 -6.887 -11.987 -11.675 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -6.842 -12.604 -14.032 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -8.241 -13.306 -13.245 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -9.406 -11.019 -14.070 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -8.117 -11.063 -15.256 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -10.617 -13.087 -13.733 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -11.035 -14.035 -15.163 1.00 0.00 H new ATOM 1277 N VAL A 84 -5.870 -9.781 -12.028 1.00 0.00 N ATOM 1278 CA VAL A 84 -5.151 -8.549 -12.306 1.00 0.00 C ATOM 1279 C VAL A 84 -4.157 -8.789 -13.444 1.00 0.00 C ATOM 1280 O VAL A 84 -3.662 -9.902 -13.616 1.00 0.00 O ATOM 1281 CB VAL A 84 -4.485 -8.032 -11.029 1.00 0.00 C ATOM 1282 CG1 VAL A 84 -3.417 -9.009 -10.534 1.00 0.00 C ATOM 1283 CG2 VAL A 84 -3.895 -6.637 -11.244 1.00 0.00 C ATOM 0 H VAL A 84 -5.506 -10.319 -11.242 1.00 0.00 H new ATOM 0 HA VAL A 84 -5.840 -7.771 -12.635 1.00 0.00 H new ATOM 0 HB VAL A 84 -5.252 -7.956 -10.258 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -2.959 -8.618 -9.625 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -3.877 -9.974 -10.322 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -2.653 -9.132 -11.301 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -3.428 -6.293 -10.321 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.147 -6.676 -12.036 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -4.689 -5.946 -11.528 1.00 0.00 H new ATOM 1293 N SER A 85 -3.893 -7.726 -14.190 1.00 0.00 N ATOM 1294 CA SER A 85 -2.966 -7.808 -15.306 1.00 0.00 C ATOM 1295 C SER A 85 -1.560 -8.130 -14.797 1.00 0.00 C ATOM 1296 O SER A 85 -0.675 -8.471 -15.580 1.00 0.00 O ATOM 1297 CB SER A 85 -2.954 -6.504 -16.108 1.00 0.00 C ATOM 1298 OG SER A 85 -2.903 -6.742 -17.512 1.00 0.00 O ATOM 0 H SER A 85 -4.304 -6.804 -14.044 1.00 0.00 H new ATOM 0 HA SER A 85 -3.298 -8.608 -15.968 1.00 0.00 H new ATOM 0 HB2 SER A 85 -3.846 -5.924 -15.871 1.00 0.00 H new ATOM 0 HB3 SER A 85 -2.095 -5.903 -15.811 1.00 0.00 H new ATOM 0 HG SER A 85 -2.899 -5.886 -17.989 1.00 0.00 H new ATOM 1304 N SER A 86 -1.398 -8.012 -13.487 1.00 0.00 N ATOM 1305 CA SER A 86 -0.115 -8.287 -12.864 1.00 0.00 C ATOM 1306 C SER A 86 -0.173 -7.947 -11.374 1.00 0.00 C ATOM 1307 O SER A 86 -0.907 -7.047 -10.967 1.00 0.00 O ATOM 1308 CB SER A 86 1.008 -7.500 -13.544 1.00 0.00 C ATOM 1309 OG SER A 86 1.480 -6.431 -12.729 1.00 0.00 O ATOM 0 H SER A 86 -2.134 -7.730 -12.840 1.00 0.00 H new ATOM 0 HA SER A 86 0.100 -9.349 -12.980 1.00 0.00 H new ATOM 0 HB2 SER A 86 1.834 -8.173 -13.774 1.00 0.00 H new ATOM 0 HB3 SER A 86 0.648 -7.101 -14.493 1.00 0.00 H new ATOM 0 HG SER A 86 2.197 -5.954 -13.197 1.00 0.00 H new ATOM 1315 N GLN A 87 0.610 -8.684 -10.600 1.00 0.00 N ATOM 1316 CA GLN A 87 0.656 -8.472 -9.163 1.00 0.00 C ATOM 1317 C GLN A 87 1.028 -7.021 -8.853 1.00 0.00 C ATOM 1318 O GLN A 87 2.083 -6.544 -9.269 1.00 0.00 O ATOM 1319 CB GLN A 87 1.633 -9.443 -8.497 1.00 0.00 C ATOM 1320 CG GLN A 87 0.974 -10.161 -7.317 1.00 0.00 C ATOM 1321 CD GLN A 87 1.941 -11.155 -6.671 1.00 0.00 C ATOM 1322 OE1 GLN A 87 2.775 -11.763 -7.323 1.00 0.00 O ATOM 1323 NE2 GLN A 87 1.784 -11.286 -5.357 1.00 0.00 N ATOM 0 H GLN A 87 1.218 -9.429 -10.941 1.00 0.00 H new ATOM 0 HA GLN A 87 -0.335 -8.668 -8.754 1.00 0.00 H new ATOM 0 HB2 GLN A 87 1.977 -10.176 -9.227 1.00 0.00 H new ATOM 0 HB3 GLN A 87 2.513 -8.900 -8.151 1.00 0.00 H new ATOM 0 HG2 GLN A 87 0.650 -9.430 -6.577 1.00 0.00 H new ATOM 0 HG3 GLN A 87 0.082 -10.686 -7.658 1.00 0.00 H new ATOM 0 HE21 GLN A 87 1.066 -10.747 -4.873 1.00 0.00 H new ATOM 0 HE22 GLN A 87 2.381 -11.926 -4.833 1.00 0.00 H new ATOM 1332 N PRO A 88 0.117 -6.341 -8.105 1.00 0.00 N ATOM 1333 CA PRO A 88 0.339 -4.954 -7.734 1.00 0.00 C ATOM 1334 C PRO A 88 1.384 -4.844 -6.623 1.00 0.00 C ATOM 1335 O PRO A 88 1.726 -5.839 -5.986 1.00 0.00 O ATOM 1336 CB PRO A 88 -1.028 -4.435 -7.318 1.00 0.00 C ATOM 1337 CG PRO A 88 -1.870 -5.667 -7.027 1.00 0.00 C ATOM 1338 CD PRO A 88 -1.143 -6.874 -7.595 1.00 0.00 C ATOM 0 HA PRO A 88 0.744 -4.359 -8.553 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -0.952 -3.797 -6.438 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -1.475 -3.834 -8.110 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -2.020 -5.782 -5.953 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -2.858 -5.569 -7.478 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -0.972 -7.630 -6.829 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -1.722 -7.348 -8.387 1.00 0.00 H new ATOM 1346 N GLU A 89 1.863 -3.625 -6.424 1.00 0.00 N ATOM 1347 CA GLU A 89 2.863 -3.372 -5.400 1.00 0.00 C ATOM 1348 C GLU A 89 2.201 -3.269 -4.025 1.00 0.00 C ATOM 1349 O GLU A 89 1.121 -2.695 -3.894 1.00 0.00 O ATOM 1350 CB GLU A 89 3.666 -2.109 -5.718 1.00 0.00 C ATOM 1351 CG GLU A 89 5.053 -2.462 -6.259 1.00 0.00 C ATOM 1352 CD GLU A 89 5.774 -3.435 -5.325 1.00 0.00 C ATOM 1353 OE1 GLU A 89 5.868 -3.105 -4.123 1.00 0.00 O ATOM 1354 OE2 GLU A 89 6.215 -4.488 -5.834 1.00 0.00 O ATOM 0 H GLU A 89 1.577 -2.802 -6.954 1.00 0.00 H new ATOM 0 HA GLU A 89 3.559 -4.211 -5.384 1.00 0.00 H new ATOM 0 HB2 GLU A 89 3.128 -1.507 -6.451 1.00 0.00 H new ATOM 0 HB3 GLU A 89 3.766 -1.502 -4.818 1.00 0.00 H new ATOM 0 HG2 GLU A 89 4.959 -2.906 -7.250 1.00 0.00 H new ATOM 0 HG3 GLU A 89 5.645 -1.554 -6.372 1.00 0.00 H new ATOM 1361 N LEU A 90 2.876 -3.834 -3.035 1.00 0.00 N ATOM 1362 CA LEU A 90 2.366 -3.812 -1.674 1.00 0.00 C ATOM 1363 C LEU A 90 3.257 -2.915 -0.814 1.00 0.00 C ATOM 1364 O LEU A 90 4.400 -3.265 -0.522 1.00 0.00 O ATOM 1365 CB LEU A 90 2.223 -5.237 -1.133 1.00 0.00 C ATOM 1366 CG LEU A 90 1.705 -6.281 -2.124 1.00 0.00 C ATOM 1367 CD1 LEU A 90 1.326 -7.578 -1.406 1.00 0.00 C ATOM 1368 CD2 LEU A 90 0.545 -5.724 -2.952 1.00 0.00 C ATOM 0 H LEU A 90 3.771 -4.310 -3.148 1.00 0.00 H new ATOM 0 HA LEU A 90 1.364 -3.383 -1.650 1.00 0.00 H new ATOM 0 HB2 LEU A 90 3.196 -5.564 -0.766 1.00 0.00 H new ATOM 0 HB3 LEU A 90 1.550 -5.213 -0.276 1.00 0.00 H new ATOM 0 HG LEU A 90 2.510 -6.521 -2.819 1.00 0.00 H new ATOM 0 HD11 LEU A 90 0.961 -8.303 -2.133 1.00 0.00 H new ATOM 0 HD12 LEU A 90 2.202 -7.982 -0.899 1.00 0.00 H new ATOM 0 HD13 LEU A 90 0.545 -7.374 -0.674 1.00 0.00 H new ATOM 0 HD21 LEU A 90 0.196 -6.487 -3.648 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -0.271 -5.438 -2.289 1.00 0.00 H new ATOM 0 HD23 LEU A 90 0.883 -4.851 -3.510 1.00 0.00 H new ATOM 1380 N LEU A 91 2.702 -1.774 -0.432 1.00 0.00 N ATOM 1381 CA LEU A 91 3.432 -0.824 0.389 1.00 0.00 C ATOM 1382 C LEU A 91 2.523 -0.322 1.512 1.00 0.00 C ATOM 1383 O LEU A 91 1.299 -0.378 1.397 1.00 0.00 O ATOM 1384 CB LEU A 91 4.015 0.295 -0.477 1.00 0.00 C ATOM 1385 CG LEU A 91 4.201 -0.033 -1.960 1.00 0.00 C ATOM 1386 CD1 LEU A 91 4.029 1.219 -2.823 1.00 0.00 C ATOM 1387 CD2 LEU A 91 5.547 -0.718 -2.205 1.00 0.00 C ATOM 0 H LEU A 91 1.754 -1.486 -0.676 1.00 0.00 H new ATOM 0 HA LEU A 91 4.286 -1.308 0.863 1.00 0.00 H new ATOM 0 HB2 LEU A 91 3.365 1.166 -0.397 1.00 0.00 H new ATOM 0 HB3 LEU A 91 4.983 0.580 -0.064 1.00 0.00 H new ATOM 0 HG LEU A 91 3.423 -0.737 -2.255 1.00 0.00 H new ATOM 0 HD11 LEU A 91 4.166 0.959 -3.873 1.00 0.00 H new ATOM 0 HD12 LEU A 91 3.028 1.626 -2.678 1.00 0.00 H new ATOM 0 HD13 LEU A 91 4.770 1.965 -2.534 1.00 0.00 H new ATOM 0 HD21 LEU A 91 5.654 -0.940 -3.267 1.00 0.00 H new ATOM 0 HD22 LEU A 91 6.354 -0.057 -1.889 1.00 0.00 H new ATOM 0 HD23 LEU A 91 5.593 -1.645 -1.634 1.00 0.00 H new ATOM 1399 N ASP A 92 3.155 0.159 2.573 1.00 0.00 N ATOM 1400 CA ASP A 92 2.418 0.670 3.715 1.00 0.00 C ATOM 1401 C ASP A 92 1.861 2.055 3.379 1.00 0.00 C ATOM 1402 O ASP A 92 2.399 2.753 2.520 1.00 0.00 O ATOM 1403 CB ASP A 92 3.326 0.811 4.939 1.00 0.00 C ATOM 1404 CG ASP A 92 2.724 0.308 6.252 1.00 0.00 C ATOM 1405 OD1 ASP A 92 1.631 0.803 6.601 1.00 0.00 O ATOM 1406 OD2 ASP A 92 3.370 -0.560 6.878 1.00 0.00 O ATOM 0 H ASP A 92 4.170 0.205 2.665 1.00 0.00 H new ATOM 0 HA ASP A 92 1.616 -0.033 3.940 1.00 0.00 H new ATOM 0 HB2 ASP A 92 4.252 0.268 4.750 1.00 0.00 H new ATOM 0 HB3 ASP A 92 3.591 1.862 5.057 1.00 0.00 H new ATOM 1411 N VAL A 93 0.790 2.412 4.073 1.00 0.00 N ATOM 1412 CA VAL A 93 0.155 3.701 3.858 1.00 0.00 C ATOM 1413 C VAL A 93 1.224 4.795 3.841 1.00 0.00 C ATOM 1414 O VAL A 93 1.048 5.829 3.199 1.00 0.00 O ATOM 1415 CB VAL A 93 -0.924 3.935 4.918 1.00 0.00 C ATOM 1416 CG1 VAL A 93 -0.308 4.031 6.315 1.00 0.00 C ATOM 1417 CG2 VAL A 93 -1.747 5.183 4.595 1.00 0.00 C ATOM 0 H VAL A 93 0.346 1.831 4.784 1.00 0.00 H new ATOM 0 HA VAL A 93 -0.347 3.723 2.891 1.00 0.00 H new ATOM 0 HB VAL A 93 -1.597 3.078 4.907 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -1.096 4.197 7.049 1.00 0.00 H new ATOM 0 HG12 VAL A 93 0.214 3.103 6.547 1.00 0.00 H new ATOM 0 HG13 VAL A 93 0.397 4.861 6.345 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -2.507 5.327 5.363 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -1.092 6.053 4.565 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -2.230 5.059 3.626 1.00 0.00 H new ATOM 1427 N SER A 94 2.308 4.530 4.554 1.00 0.00 N ATOM 1428 CA SER A 94 3.405 5.479 4.629 1.00 0.00 C ATOM 1429 C SER A 94 3.770 5.970 3.226 1.00 0.00 C ATOM 1430 O SER A 94 4.029 7.155 3.027 1.00 0.00 O ATOM 1431 CB SER A 94 4.627 4.857 5.308 1.00 0.00 C ATOM 1432 OG SER A 94 4.295 4.250 6.553 1.00 0.00 O ATOM 0 H SER A 94 2.450 3.671 5.085 1.00 0.00 H new ATOM 0 HA SER A 94 3.081 6.328 5.231 1.00 0.00 H new ATOM 0 HB2 SER A 94 5.068 4.111 4.647 1.00 0.00 H new ATOM 0 HB3 SER A 94 5.382 5.626 5.470 1.00 0.00 H new ATOM 0 HG SER A 94 5.101 3.863 6.954 1.00 0.00 H new ATOM 1438 N TRP A 95 3.777 5.032 2.290 1.00 0.00 N ATOM 1439 CA TRP A 95 4.105 5.354 0.911 1.00 0.00 C ATOM 1440 C TRP A 95 3.061 6.345 0.396 1.00 0.00 C ATOM 1441 O TRP A 95 3.391 7.480 0.056 1.00 0.00 O ATOM 1442 CB TRP A 95 4.198 4.086 0.060 1.00 0.00 C ATOM 1443 CG TRP A 95 4.620 4.339 -1.389 1.00 0.00 C ATOM 1444 CD1 TRP A 95 5.824 4.714 -1.844 1.00 0.00 C ATOM 1445 CD2 TRP A 95 3.787 4.219 -2.561 1.00 0.00 C ATOM 1446 NE1 TRP A 95 5.827 4.844 -3.218 1.00 0.00 N ATOM 1447 CE2 TRP A 95 4.549 4.534 -3.668 1.00 0.00 C ATOM 1448 CE3 TRP A 95 2.433 3.857 -2.682 1.00 0.00 C ATOM 1449 CZ2 TRP A 95 4.046 4.518 -4.974 1.00 0.00 C ATOM 1450 CZ3 TRP A 95 1.946 3.847 -3.994 1.00 0.00 C ATOM 1451 CH2 TRP A 95 2.700 4.161 -5.119 1.00 0.00 C ATOM 0 H TRP A 95 3.561 4.050 2.459 1.00 0.00 H new ATOM 0 HA TRP A 95 5.088 5.820 0.847 1.00 0.00 H new ATOM 0 HB2 TRP A 95 4.911 3.403 0.521 1.00 0.00 H new ATOM 0 HB3 TRP A 95 3.229 3.586 0.064 1.00 0.00 H new ATOM 0 HD1 TRP A 95 6.683 4.892 -1.215 1.00 0.00 H new ATOM 0 HE1 TRP A 95 6.621 5.117 -3.797 1.00 0.00 H new ATOM 0 HE3 TRP A 95 1.818 3.607 -1.830 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 4.663 4.768 -5.824 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 0.911 3.576 -4.143 1.00 0.00 H new ATOM 0 HH2 TRP A 95 2.250 4.130 -6.100 1.00 0.00 H new ATOM 1462 N LEU A 96 1.820 5.881 0.353 1.00 0.00 N ATOM 1463 CA LEU A 96 0.725 6.713 -0.115 1.00 0.00 C ATOM 1464 C LEU A 96 0.791 8.074 0.580 1.00 0.00 C ATOM 1465 O LEU A 96 0.672 9.113 -0.068 1.00 0.00 O ATOM 1466 CB LEU A 96 -0.612 5.992 0.069 1.00 0.00 C ATOM 1467 CG LEU A 96 -1.769 6.493 -0.799 1.00 0.00 C ATOM 1468 CD1 LEU A 96 -2.583 7.560 -0.065 1.00 0.00 C ATOM 1469 CD2 LEU A 96 -1.262 6.989 -2.154 1.00 0.00 C ATOM 0 H LEU A 96 1.549 4.939 0.635 1.00 0.00 H new ATOM 0 HA LEU A 96 0.817 6.897 -1.185 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -0.462 4.932 -0.137 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -0.906 6.075 1.115 1.00 0.00 H new ATOM 0 HG LEU A 96 -2.439 5.655 -0.993 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -3.399 7.899 -0.704 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -2.992 7.138 0.853 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -1.939 8.405 0.180 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -2.104 7.339 -2.751 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -0.559 7.808 -2.002 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -0.761 6.173 -2.676 1.00 0.00 H new ATOM 1481 N ILE A 97 0.980 8.025 1.890 1.00 0.00 N ATOM 1482 CA ILE A 97 1.063 9.242 2.681 1.00 0.00 C ATOM 1483 C ILE A 97 2.120 10.167 2.075 1.00 0.00 C ATOM 1484 O ILE A 97 1.856 11.344 1.835 1.00 0.00 O ATOM 1485 CB ILE A 97 1.310 8.908 4.153 1.00 0.00 C ATOM 1486 CG1 ILE A 97 0.050 8.331 4.803 1.00 0.00 C ATOM 1487 CG2 ILE A 97 1.838 10.128 4.911 1.00 0.00 C ATOM 1488 CD1 ILE A 97 0.345 7.825 6.216 1.00 0.00 C ATOM 0 H ILE A 97 1.078 7.162 2.424 1.00 0.00 H new ATOM 0 HA ILE A 97 0.115 9.779 2.655 1.00 0.00 H new ATOM 0 HB ILE A 97 2.080 8.139 4.204 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -0.726 9.095 4.841 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -0.336 7.514 4.194 1.00 0.00 H new ATOM 0 HG21 ILE A 97 2.005 9.863 5.955 1.00 0.00 H new ATOM 0 HG22 ILE A 97 2.777 10.455 4.465 1.00 0.00 H new ATOM 0 HG23 ILE A 97 1.108 10.936 4.854 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -0.567 7.420 6.655 1.00 0.00 H new ATOM 0 HD12 ILE A 97 1.104 7.044 6.172 1.00 0.00 H new ATOM 0 HD13 ILE A 97 0.708 8.650 6.829 1.00 0.00 H new ATOM 1500 N GLU A 98 3.296 9.600 1.844 1.00 0.00 N ATOM 1501 CA GLU A 98 4.394 10.359 1.271 1.00 0.00 C ATOM 1502 C GLU A 98 4.078 10.738 -0.177 1.00 0.00 C ATOM 1503 O GLU A 98 4.374 11.851 -0.610 1.00 0.00 O ATOM 1504 CB GLU A 98 5.706 9.578 1.360 1.00 0.00 C ATOM 1505 CG GLU A 98 6.250 9.579 2.790 1.00 0.00 C ATOM 1506 CD GLU A 98 7.555 10.373 2.879 1.00 0.00 C ATOM 1507 OE1 GLU A 98 7.459 11.616 2.957 1.00 0.00 O ATOM 1508 OE2 GLU A 98 8.619 9.717 2.867 1.00 0.00 O ATOM 0 H GLU A 98 3.512 8.623 2.044 1.00 0.00 H new ATOM 0 HA GLU A 98 4.516 11.276 1.848 1.00 0.00 H new ATOM 0 HB2 GLU A 98 5.545 8.552 1.029 1.00 0.00 H new ATOM 0 HB3 GLU A 98 6.442 10.018 0.687 1.00 0.00 H new ATOM 0 HG2 GLU A 98 5.510 10.011 3.464 1.00 0.00 H new ATOM 0 HG3 GLU A 98 6.421 8.554 3.119 1.00 0.00 H new ATOM 1515 N CYS A 99 3.481 9.791 -0.886 1.00 0.00 N ATOM 1516 CA CYS A 99 3.122 10.012 -2.277 1.00 0.00 C ATOM 1517 C CYS A 99 2.216 11.242 -2.350 1.00 0.00 C ATOM 1518 O CYS A 99 2.125 11.890 -3.391 1.00 0.00 O ATOM 1519 CB CYS A 99 2.459 8.778 -2.892 1.00 0.00 C ATOM 1520 SG CYS A 99 3.725 7.514 -3.279 1.00 0.00 S ATOM 0 H CYS A 99 3.237 8.869 -0.524 1.00 0.00 H new ATOM 0 HA CYS A 99 4.023 10.191 -2.864 1.00 0.00 H new ATOM 0 HB2 CYS A 99 1.723 8.368 -2.200 1.00 0.00 H new ATOM 0 HB3 CYS A 99 1.923 9.057 -3.799 1.00 0.00 H new ATOM 0 HG CYS A 99 3.275 6.337 -2.960 1.00 0.00 H new ATOM 1526 N ILE A 100 1.568 11.528 -1.230 1.00 0.00 N ATOM 1527 CA ILE A 100 0.672 12.669 -1.154 1.00 0.00 C ATOM 1528 C ILE A 100 1.487 13.934 -0.876 1.00 0.00 C ATOM 1529 O ILE A 100 1.479 14.870 -1.674 1.00 0.00 O ATOM 1530 CB ILE A 100 -0.435 12.414 -0.129 1.00 0.00 C ATOM 1531 CG1 ILE A 100 -1.405 11.340 -0.625 1.00 0.00 C ATOM 1532 CG2 ILE A 100 -1.156 13.714 0.234 1.00 0.00 C ATOM 1533 CD1 ILE A 100 -2.293 10.835 0.514 1.00 0.00 C ATOM 0 H ILE A 100 1.646 10.989 -0.368 1.00 0.00 H new ATOM 0 HA ILE A 100 0.164 12.819 -2.107 1.00 0.00 H new ATOM 0 HB ILE A 100 0.025 12.035 0.784 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -2.027 11.747 -1.423 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -0.845 10.507 -1.051 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -1.938 13.505 0.964 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -0.442 14.420 0.659 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -1.602 14.145 -0.662 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -2.973 10.072 0.134 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -1.670 10.407 1.299 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -2.870 11.665 0.921 1.00 0.00 H new ATOM 1545 N GLY A 101 2.172 13.921 0.258 1.00 0.00 N ATOM 1546 CA GLY A 101 2.991 15.056 0.650 1.00 0.00 C ATOM 1547 C GLY A 101 4.166 15.243 -0.312 1.00 0.00 C ATOM 1548 O GLY A 101 4.874 16.247 -0.245 1.00 0.00 O ATOM 0 H GLY A 101 2.177 13.143 0.918 1.00 0.00 H new ATOM 0 HA2 GLY A 101 2.382 15.960 0.666 1.00 0.00 H new ATOM 0 HA3 GLY A 101 3.366 14.906 1.663 1.00 0.00 H new ATOM 1552 N ALA A 102 4.336 14.261 -1.185 1.00 0.00 N ATOM 1553 CA ALA A 102 5.413 14.306 -2.160 1.00 0.00 C ATOM 1554 C ALA A 102 4.830 14.601 -3.544 1.00 0.00 C ATOM 1555 O ALA A 102 5.568 14.699 -4.523 1.00 0.00 O ATOM 1556 CB ALA A 102 6.190 12.988 -2.123 1.00 0.00 C ATOM 0 H ALA A 102 3.747 13.430 -1.238 1.00 0.00 H new ATOM 0 HA ALA A 102 6.115 15.105 -1.921 1.00 0.00 H new ATOM 0 HB1 ALA A 102 6.998 13.021 -2.854 1.00 0.00 H new ATOM 0 HB2 ALA A 102 6.608 12.840 -1.127 1.00 0.00 H new ATOM 0 HB3 ALA A 102 5.519 12.163 -2.361 1.00 0.00 H new ATOM 1562 N GLY A 103 3.513 14.734 -3.580 1.00 0.00 N ATOM 1563 CA GLY A 103 2.823 15.016 -4.827 1.00 0.00 C ATOM 1564 C GLY A 103 3.437 14.225 -5.984 1.00 0.00 C ATOM 1565 O GLY A 103 3.526 14.725 -7.104 1.00 0.00 O ATOM 0 H GLY A 103 2.905 14.652 -2.765 1.00 0.00 H new ATOM 0 HA2 GLY A 103 1.767 14.763 -4.728 1.00 0.00 H new ATOM 0 HA3 GLY A 103 2.876 16.083 -5.043 1.00 0.00 H new ATOM 1569 N LYS A 104 3.844 13.003 -5.673 1.00 0.00 N ATOM 1570 CA LYS A 104 4.447 12.139 -6.673 1.00 0.00 C ATOM 1571 C LYS A 104 4.666 10.748 -6.073 1.00 0.00 C ATOM 1572 O LYS A 104 4.709 10.594 -4.854 1.00 0.00 O ATOM 1573 CB LYS A 104 5.721 12.774 -7.233 1.00 0.00 C ATOM 1574 CG LYS A 104 6.881 12.642 -6.243 1.00 0.00 C ATOM 1575 CD LYS A 104 8.103 12.011 -6.912 1.00 0.00 C ATOM 1576 CE LYS A 104 9.300 11.991 -5.959 1.00 0.00 C ATOM 1577 NZ LYS A 104 10.236 10.904 -6.324 1.00 0.00 N ATOM 0 H LYS A 104 3.768 12.591 -4.743 1.00 0.00 H new ATOM 0 HA LYS A 104 3.778 12.018 -7.525 1.00 0.00 H new ATOM 0 HB2 LYS A 104 5.986 12.295 -8.175 1.00 0.00 H new ATOM 0 HB3 LYS A 104 5.542 13.827 -7.450 1.00 0.00 H new ATOM 0 HG2 LYS A 104 7.143 13.625 -5.851 1.00 0.00 H new ATOM 0 HG3 LYS A 104 6.572 12.033 -5.394 1.00 0.00 H new ATOM 0 HD2 LYS A 104 7.866 10.994 -7.226 1.00 0.00 H new ATOM 0 HD3 LYS A 104 8.359 12.571 -7.812 1.00 0.00 H new ATOM 0 HE2 LYS A 104 9.816 12.950 -5.994 1.00 0.00 H new ATOM 0 HE3 LYS A 104 8.954 11.852 -4.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 11.042 10.905 -5.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 9.745 9.989 -6.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 10.580 11.053 -7.294 1.00 0.00 H new ATOM 1591 N PRO A 105 4.801 9.745 -6.982 1.00 0.00 N ATOM 1592 CA PRO A 105 5.014 8.373 -6.555 1.00 0.00 C ATOM 1593 C PRO A 105 6.448 8.168 -6.063 1.00 0.00 C ATOM 1594 O PRO A 105 7.313 7.733 -6.823 1.00 0.00 O ATOM 1595 CB PRO A 105 4.676 7.526 -7.771 1.00 0.00 C ATOM 1596 CG PRO A 105 4.736 8.466 -8.964 1.00 0.00 C ATOM 1597 CD PRO A 105 4.755 9.890 -8.434 1.00 0.00 C ATOM 0 HA PRO A 105 4.389 8.095 -5.706 1.00 0.00 H new ATOM 0 HB2 PRO A 105 5.384 6.705 -7.884 1.00 0.00 H new ATOM 0 HB3 PRO A 105 3.686 7.081 -7.674 1.00 0.00 H new ATOM 0 HG2 PRO A 105 5.626 8.269 -9.561 1.00 0.00 H new ATOM 0 HG3 PRO A 105 3.875 8.312 -9.615 1.00 0.00 H new ATOM 0 HD2 PRO A 105 5.621 10.439 -8.805 1.00 0.00 H new ATOM 0 HD3 PRO A 105 3.869 10.442 -8.749 1.00 0.00 H new ATOM 1605 N VAL A 106 6.657 8.490 -4.795 1.00 0.00 N ATOM 1606 CA VAL A 106 7.972 8.347 -4.194 1.00 0.00 C ATOM 1607 C VAL A 106 8.565 6.993 -4.589 1.00 0.00 C ATOM 1608 O VAL A 106 7.830 6.057 -4.900 1.00 0.00 O ATOM 1609 CB VAL A 106 7.878 8.538 -2.678 1.00 0.00 C ATOM 1610 CG1 VAL A 106 7.611 10.003 -2.326 1.00 0.00 C ATOM 1611 CG2 VAL A 106 6.808 7.625 -2.076 1.00 0.00 C ATOM 0 H VAL A 106 5.938 8.849 -4.167 1.00 0.00 H new ATOM 0 HA VAL A 106 8.647 9.118 -4.565 1.00 0.00 H new ATOM 0 HB VAL A 106 8.838 8.259 -2.244 1.00 0.00 H new ATOM 0 HG11 VAL A 106 7.549 10.111 -1.243 1.00 0.00 H new ATOM 0 HG12 VAL A 106 8.423 10.622 -2.707 1.00 0.00 H new ATOM 0 HG13 VAL A 106 6.671 10.320 -2.777 1.00 0.00 H new ATOM 0 HG21 VAL A 106 6.762 7.780 -0.998 1.00 0.00 H new ATOM 0 HG22 VAL A 106 5.840 7.859 -2.518 1.00 0.00 H new ATOM 0 HG23 VAL A 106 7.059 6.585 -2.282 1.00 0.00 H new ATOM 1621 N GLU A 107 9.888 6.932 -4.565 1.00 0.00 N ATOM 1622 CA GLU A 107 10.588 5.708 -4.918 1.00 0.00 C ATOM 1623 C GLU A 107 10.372 4.644 -3.840 1.00 0.00 C ATOM 1624 O GLU A 107 10.136 4.972 -2.678 1.00 0.00 O ATOM 1625 CB GLU A 107 12.079 5.973 -5.136 1.00 0.00 C ATOM 1626 CG GLU A 107 12.831 6.004 -3.805 1.00 0.00 C ATOM 1627 CD GLU A 107 13.952 7.045 -3.832 1.00 0.00 C ATOM 1628 OE1 GLU A 107 14.778 6.965 -4.767 1.00 0.00 O ATOM 1629 OE2 GLU A 107 13.956 7.898 -2.918 1.00 0.00 O ATOM 0 H GLU A 107 10.494 7.710 -4.307 1.00 0.00 H new ATOM 0 HA GLU A 107 10.178 5.335 -5.857 1.00 0.00 H new ATOM 0 HB2 GLU A 107 12.500 5.198 -5.777 1.00 0.00 H new ATOM 0 HB3 GLU A 107 12.211 6.923 -5.655 1.00 0.00 H new ATOM 0 HG2 GLU A 107 12.137 6.233 -2.996 1.00 0.00 H new ATOM 0 HG3 GLU A 107 13.249 5.019 -3.597 1.00 0.00 H new ATOM 1636 N MET A 108 10.461 3.392 -4.263 1.00 0.00 N ATOM 1637 CA MET A 108 10.278 2.278 -3.349 1.00 0.00 C ATOM 1638 C MET A 108 11.616 1.830 -2.756 1.00 0.00 C ATOM 1639 O MET A 108 12.176 0.817 -3.173 1.00 0.00 O ATOM 1640 CB MET A 108 9.632 1.107 -4.092 1.00 0.00 C ATOM 1641 CG MET A 108 8.106 1.225 -4.079 1.00 0.00 C ATOM 1642 SD MET A 108 7.409 0.264 -5.412 1.00 0.00 S ATOM 1643 CE MET A 108 6.407 1.511 -6.203 1.00 0.00 C ATOM 0 H MET A 108 10.658 3.124 -5.227 1.00 0.00 H new ATOM 0 HA MET A 108 9.631 2.604 -2.535 1.00 0.00 H new ATOM 0 HB2 MET A 108 9.990 1.083 -5.121 1.00 0.00 H new ATOM 0 HB3 MET A 108 9.932 0.167 -3.628 1.00 0.00 H new ATOM 0 HG2 MET A 108 7.714 0.875 -3.124 1.00 0.00 H new ATOM 0 HG3 MET A 108 7.813 2.270 -4.181 1.00 0.00 H new ATOM 0 HE1 MET A 108 5.897 1.077 -7.063 1.00 0.00 H new ATOM 0 HE2 MET A 108 5.668 1.887 -5.495 1.00 0.00 H new ATOM 0 HE3 MET A 108 7.043 2.332 -6.535 1.00 0.00 H new ATOM 1653 N THR A 109 12.089 2.607 -1.793 1.00 0.00 N ATOM 1654 CA THR A 109 13.350 2.303 -1.138 1.00 0.00 C ATOM 1655 C THR A 109 13.245 0.990 -0.360 1.00 0.00 C ATOM 1656 O THR A 109 14.011 0.058 -0.601 1.00 0.00 O ATOM 1657 CB THR A 109 13.729 3.499 -0.263 1.00 0.00 C ATOM 1658 OG1 THR A 109 12.579 3.712 0.551 1.00 0.00 O ATOM 1659 CG2 THR A 109 13.862 4.795 -1.067 1.00 0.00 C ATOM 0 H THR A 109 11.622 3.447 -1.450 1.00 0.00 H new ATOM 0 HA THR A 109 14.146 2.149 -1.866 1.00 0.00 H new ATOM 0 HB THR A 109 14.669 3.291 0.248 1.00 0.00 H new ATOM 0 HG1 THR A 109 12.739 4.470 1.151 1.00 0.00 H new ATOM 0 HG21 THR A 109 14.132 5.612 -0.398 1.00 0.00 H new ATOM 0 HG22 THR A 109 14.636 4.675 -1.825 1.00 0.00 H new ATOM 0 HG23 THR A 109 12.912 5.022 -1.551 1.00 0.00 H new ATOM 1667 N GLY A 110 12.290 0.958 0.557 1.00 0.00 N ATOM 1668 CA GLY A 110 12.074 -0.225 1.373 1.00 0.00 C ATOM 1669 C GLY A 110 10.977 0.017 2.411 1.00 0.00 C ATOM 1670 O GLY A 110 9.963 -0.679 2.422 1.00 0.00 O ATOM 0 H GLY A 110 11.656 1.733 0.753 1.00 0.00 H new ATOM 0 HA2 GLY A 110 11.798 -1.065 0.736 1.00 0.00 H new ATOM 0 HA3 GLY A 110 13.002 -0.498 1.876 1.00 0.00 H new ATOM 1674 N LYS A 111 11.217 1.006 3.260 1.00 0.00 N ATOM 1675 CA LYS A 111 10.262 1.348 4.300 1.00 0.00 C ATOM 1676 C LYS A 111 8.850 1.345 3.711 1.00 0.00 C ATOM 1677 O LYS A 111 7.894 0.963 4.384 1.00 0.00 O ATOM 1678 CB LYS A 111 10.647 2.670 4.966 1.00 0.00 C ATOM 1679 CG LYS A 111 10.651 3.816 3.952 1.00 0.00 C ATOM 1680 CD LYS A 111 11.763 4.820 4.262 1.00 0.00 C ATOM 1681 CE LYS A 111 11.190 6.221 4.483 1.00 0.00 C ATOM 1682 NZ LYS A 111 11.930 6.919 5.558 1.00 0.00 N ATOM 0 H LYS A 111 12.059 1.581 3.249 1.00 0.00 H new ATOM 0 HA LYS A 111 10.279 0.601 5.093 1.00 0.00 H new ATOM 0 HB2 LYS A 111 9.946 2.894 5.770 1.00 0.00 H new ATOM 0 HB3 LYS A 111 11.634 2.578 5.420 1.00 0.00 H new ATOM 0 HG2 LYS A 111 10.787 3.416 2.947 1.00 0.00 H new ATOM 0 HG3 LYS A 111 9.686 4.322 3.966 1.00 0.00 H new ATOM 0 HD2 LYS A 111 12.308 4.502 5.151 1.00 0.00 H new ATOM 0 HD3 LYS A 111 12.478 4.841 3.440 1.00 0.00 H new ATOM 0 HE2 LYS A 111 11.251 6.796 3.559 1.00 0.00 H new ATOM 0 HE3 LYS A 111 10.134 6.152 4.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 11.529 7.869 5.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 11.850 6.378 6.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 12.932 7.002 5.292 1.00 0.00 H new ATOM 1696 N HIS A 112 8.764 1.775 2.461 1.00 0.00 N ATOM 1697 CA HIS A 112 7.485 1.826 1.773 1.00 0.00 C ATOM 1698 C HIS A 112 6.908 0.414 1.657 1.00 0.00 C ATOM 1699 O HIS A 112 5.764 0.173 2.042 1.00 0.00 O ATOM 1700 CB HIS A 112 7.623 2.523 0.419 1.00 0.00 C ATOM 1701 CG HIS A 112 8.246 3.897 0.495 1.00 0.00 C ATOM 1702 ND1 HIS A 112 8.860 4.503 -0.587 1.00 0.00 N ATOM 1703 CD2 HIS A 112 8.344 4.775 1.535 1.00 0.00 C ATOM 1704 CE1 HIS A 112 9.303 5.692 -0.204 1.00 0.00 C ATOM 1705 NE2 HIS A 112 8.983 5.858 1.111 1.00 0.00 N ATOM 0 H HIS A 112 9.559 2.091 1.906 1.00 0.00 H new ATOM 0 HA HIS A 112 6.780 2.423 2.352 1.00 0.00 H new ATOM 0 HB2 HIS A 112 8.226 1.898 -0.240 1.00 0.00 H new ATOM 0 HB3 HIS A 112 6.636 2.608 -0.037 1.00 0.00 H new ATOM 0 HD1 HIS A 112 8.955 4.103 -1.520 1.00 0.00 H new ATOM 0 HD2 HIS A 112 7.966 4.616 2.534 1.00 0.00 H new ATOM 0 HE1 HIS A 112 9.826 6.405 -0.825 1.00 0.00 H new ATOM 1713 N GLN A 113 7.725 -0.483 1.125 1.00 0.00 N ATOM 1714 CA GLN A 113 7.310 -1.864 0.954 1.00 0.00 C ATOM 1715 C GLN A 113 6.880 -2.460 2.296 1.00 0.00 C ATOM 1716 O GLN A 113 7.451 -2.133 3.335 1.00 0.00 O ATOM 1717 CB GLN A 113 8.424 -2.696 0.316 1.00 0.00 C ATOM 1718 CG GLN A 113 8.822 -2.126 -1.047 1.00 0.00 C ATOM 1719 CD GLN A 113 7.930 -2.685 -2.157 1.00 0.00 C ATOM 1720 OE1 GLN A 113 7.262 -3.694 -2.003 1.00 0.00 O ATOM 1721 NE2 GLN A 113 7.957 -1.974 -3.282 1.00 0.00 N ATOM 0 H GLN A 113 8.673 -0.280 0.807 1.00 0.00 H new ATOM 0 HA GLN A 113 6.454 -1.885 0.279 1.00 0.00 H new ATOM 0 HB2 GLN A 113 9.292 -2.713 0.975 1.00 0.00 H new ATOM 0 HB3 GLN A 113 8.091 -3.727 0.200 1.00 0.00 H new ATOM 0 HG2 GLN A 113 8.745 -1.039 -1.027 1.00 0.00 H new ATOM 0 HG3 GLN A 113 9.864 -2.368 -1.256 1.00 0.00 H new ATOM 0 HE21 GLN A 113 8.539 -1.139 -3.343 1.00 0.00 H new ATOM 0 HE22 GLN A 113 7.396 -2.265 -4.083 1.00 0.00 H new ATOM 1730 N LEU A 114 5.879 -3.325 2.230 1.00 0.00 N ATOM 1731 CA LEU A 114 5.367 -3.970 3.427 1.00 0.00 C ATOM 1732 C LEU A 114 6.213 -5.207 3.737 1.00 0.00 C ATOM 1733 O LEU A 114 6.783 -5.317 4.821 1.00 0.00 O ATOM 1734 CB LEU A 114 3.873 -4.268 3.278 1.00 0.00 C ATOM 1735 CG LEU A 114 2.982 -3.074 2.930 1.00 0.00 C ATOM 1736 CD1 LEU A 114 1.956 -3.449 1.860 1.00 0.00 C ATOM 1737 CD2 LEU A 114 2.320 -2.501 4.185 1.00 0.00 C ATOM 0 H LEU A 114 5.409 -3.594 1.366 1.00 0.00 H new ATOM 0 HA LEU A 114 5.452 -3.303 4.285 1.00 0.00 H new ATOM 0 HB2 LEU A 114 3.749 -5.026 2.504 1.00 0.00 H new ATOM 0 HB3 LEU A 114 3.515 -4.703 4.211 1.00 0.00 H new ATOM 0 HG LEU A 114 3.611 -2.289 2.510 1.00 0.00 H new ATOM 0 HD11 LEU A 114 1.336 -2.582 1.631 1.00 0.00 H new ATOM 0 HD12 LEU A 114 2.474 -3.773 0.957 1.00 0.00 H new ATOM 0 HD13 LEU A 114 1.326 -4.259 2.228 1.00 0.00 H new ATOM 0 HD21 LEU A 114 1.692 -1.653 3.910 1.00 0.00 H new ATOM 0 HD22 LEU A 114 1.707 -3.269 4.656 1.00 0.00 H new ATOM 0 HD23 LEU A 114 3.089 -2.172 4.884 1.00 0.00 H new