USER MOD reduce.3.24.130724 H: found=0, std=0, add=825, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 827 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 Single : A 5 THR OG1 : rot 180:sc= 0.0108 USER MOD Single : A 7 LYS NZ :NH3+ 154:sc= 0.166 (180deg=-0.593!) USER MOD Single : A 22 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0154) USER MOD Single : A 24 THR OG1 : rot 73:sc= -0.652 USER MOD Single : A 26 THR OG1 : rot 69:sc= -1.14! USER MOD Single : A 27 GLN : amide:sc= -0.779 K(o=-0.78,f=-5.2!) USER MOD Single : A 30 ASN : amide:sc= -0.992 K(o=-0.99,f=-5.1!) USER MOD Single : A 31 LYS NZ :NH3+ -152:sc= -0.321 (180deg=-1.36) USER MOD Single : A 33 THR OG1 : rot 180:sc= -3.37! USER MOD Single : A 35 LYS NZ :NH3+ -128:sc= -2.02 (180deg=-4.47!) USER MOD Single : A 37 SER OG : rot 180:sc= -0.18 USER MOD Single : A 38 SER OG : rot 180:sc= 0.456 USER MOD Single : A 39 ASN : amide:sc=-0.00602 X(o=-0.006,f=0) USER MOD Single : A 42 ASN : amide:sc= -0.0502 X(o=-0.05,f=-0.38) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot -36:sc= 0.547 USER MOD Single : A 64 THR OG1 : rot 63:sc= 1.16 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot -10:sc= 1.24 USER MOD Single : A 69 MET CE :methyl 141:sc= -0.885 (180deg=-4.2!) USER MOD Single : A 72 ASN : amide:sc= -0.0675 X(o=-0.067,f=-0.47) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ -113:sc= -0.0133 (180deg=-0.26) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 ASN : amide:sc= -1.55 K(o=-1.5,f=-0.56) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 96 ASN : amide:sc= -0.0285 K(o=-0.029,f=-1.8) USER MOD Single : A 100 GLN : amide:sc= -5.91! C(o=-5.9!,f=-3.6!) USER MOD Single : A 101 THR OG1 : rot -150:sc= -0.726 USER MOD Single : A 102 TYR OH : rot -27:sc= 0.0814 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 TYR OH : rot 141:sc= 0.158 USER MOD Single : A 110 LYS NZ :NH3+ -153:sc= -0.0541 (180deg=-0.592) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 13 N PHE A 2 11.722 -11.113 4.378 1.00 0.00 N ATOM 14 CA PHE A 2 10.711 -10.131 4.784 1.00 0.00 C ATOM 15 C PHE A 2 10.984 -9.860 6.296 1.00 0.00 C ATOM 16 O PHE A 2 11.042 -8.681 6.657 1.00 0.00 O ATOM 17 CB PHE A 2 9.297 -10.629 4.644 1.00 0.00 C ATOM 18 CG PHE A 2 8.707 -10.368 3.269 1.00 0.00 C ATOM 19 CD1 PHE A 2 8.395 -9.078 2.919 1.00 0.00 C ATOM 20 CD2 PHE A 2 8.439 -11.311 2.304 1.00 0.00 C ATOM 21 CE1 PHE A 2 7.852 -8.783 1.677 1.00 0.00 C ATOM 22 CE2 PHE A 2 7.899 -10.920 1.093 1.00 0.00 C ATOM 23 CZ PHE A 2 7.611 -9.610 0.803 1.00 0.00 C ATOM 0 HA PHE A 2 10.791 -9.251 4.146 1.00 0.00 H new ATOM 0 HB2 PHE A 2 9.274 -11.700 4.846 1.00 0.00 H new ATOM 0 HB3 PHE A 2 8.673 -10.149 5.398 1.00 0.00 H new ATOM 0 HD1 PHE A 2 8.575 -8.279 3.623 1.00 0.00 H new ATOM 0 HD2 PHE A 2 8.650 -12.353 2.492 1.00 0.00 H new ATOM 0 HE1 PHE A 2 7.625 -7.749 1.463 1.00 0.00 H new ATOM 0 HE2 PHE A 2 7.696 -11.674 0.347 1.00 0.00 H new ATOM 0 HZ PHE A 2 7.192 -9.321 -0.149 1.00 0.00 H new ATOM 33 N ASP A 3 11.119 -10.990 7.017 1.00 0.00 N ATOM 34 CA ASP A 3 11.370 -10.874 8.421 1.00 0.00 C ATOM 35 C ASP A 3 12.234 -9.727 8.892 1.00 0.00 C ATOM 36 O ASP A 3 13.458 -9.801 8.861 1.00 0.00 O ATOM 37 CB ASP A 3 12.110 -12.193 8.778 1.00 0.00 C ATOM 38 CG ASP A 3 12.109 -12.462 10.263 1.00 0.00 C ATOM 39 OD1 ASP A 3 12.514 -11.545 10.998 1.00 0.00 O ATOM 40 OD2 ASP A 3 11.728 -13.535 10.745 1.00 0.00 O ATOM 0 H ASP A 3 11.058 -11.940 6.651 1.00 0.00 H new ATOM 0 HA ASP A 3 10.411 -10.686 8.904 1.00 0.00 H new ATOM 0 HB2 ASP A 3 11.636 -13.026 8.259 1.00 0.00 H new ATOM 0 HB3 ASP A 3 13.138 -12.139 8.421 1.00 0.00 H new ATOM 45 N GLY A 4 11.557 -8.649 9.330 1.00 0.00 N ATOM 46 CA GLY A 4 12.387 -7.526 9.787 1.00 0.00 C ATOM 47 C GLY A 4 11.544 -6.299 9.578 1.00 0.00 C ATOM 48 O GLY A 4 10.446 -6.381 9.040 1.00 0.00 O ATOM 0 H GLY A 4 10.545 -8.534 9.376 1.00 0.00 H new ATOM 0 HA2 GLY A 4 12.661 -7.641 10.836 1.00 0.00 H new ATOM 0 HA3 GLY A 4 13.316 -7.467 9.219 1.00 0.00 H new ATOM 52 N THR A 5 12.055 -5.122 10.013 1.00 0.00 N ATOM 53 CA THR A 5 11.164 -3.980 9.776 1.00 0.00 C ATOM 54 C THR A 5 11.587 -3.465 8.395 1.00 0.00 C ATOM 55 O THR A 5 12.544 -4.042 7.864 1.00 0.00 O ATOM 56 CB THR A 5 11.561 -2.880 10.752 1.00 0.00 C ATOM 57 OG1 THR A 5 12.928 -2.708 10.940 1.00 0.00 O ATOM 58 CG2 THR A 5 10.947 -3.085 12.151 1.00 0.00 C ATOM 0 H THR A 5 12.952 -4.952 10.467 1.00 0.00 H new ATOM 0 HA THR A 5 10.109 -4.238 9.867 1.00 0.00 H new ATOM 0 HB THR A 5 11.166 -1.990 10.263 1.00 0.00 H new ATOM 0 HG1 THR A 5 13.081 -1.981 11.579 1.00 0.00 H new ATOM 0 HG21 THR A 5 11.261 -2.274 12.808 1.00 0.00 H new ATOM 0 HG22 THR A 5 9.860 -3.090 12.074 1.00 0.00 H new ATOM 0 HG23 THR A 5 11.286 -4.036 12.561 1.00 0.00 H new ATOM 66 N TRP A 6 10.921 -2.445 7.832 1.00 0.00 N ATOM 67 CA TRP A 6 11.176 -1.857 6.573 1.00 0.00 C ATOM 68 C TRP A 6 10.863 -0.355 6.554 1.00 0.00 C ATOM 69 O TRP A 6 10.115 -0.022 7.454 1.00 0.00 O ATOM 70 CB TRP A 6 10.218 -2.463 5.501 1.00 0.00 C ATOM 71 CG TRP A 6 10.484 -3.888 5.195 1.00 0.00 C ATOM 72 CD1 TRP A 6 10.417 -4.977 6.068 1.00 0.00 C ATOM 73 CD2 TRP A 6 10.874 -4.499 3.937 1.00 0.00 C ATOM 74 NE1 TRP A 6 10.731 -6.046 5.365 1.00 0.00 N ATOM 75 CE2 TRP A 6 11.038 -5.879 4.019 1.00 0.00 C ATOM 76 CE3 TRP A 6 11.107 -3.957 2.685 1.00 0.00 C ATOM 77 CZ2 TRP A 6 11.401 -6.677 2.974 1.00 0.00 C ATOM 78 CZ3 TRP A 6 11.478 -4.728 1.604 1.00 0.00 C ATOM 79 CH2 TRP A 6 11.625 -6.074 1.735 1.00 0.00 C ATOM 0 H TRP A 6 10.137 -1.999 8.308 1.00 0.00 H new ATOM 0 HA TRP A 6 12.231 -2.041 6.370 1.00 0.00 H new ATOM 0 HB2 TRP A 6 9.190 -2.362 5.848 1.00 0.00 H new ATOM 0 HB3 TRP A 6 10.303 -1.882 4.582 1.00 0.00 H new ATOM 0 HD1 TRP A 6 10.158 -4.948 7.116 1.00 0.00 H new ATOM 0 HE1 TRP A 6 10.748 -6.970 5.796 1.00 0.00 H new ATOM 0 HE3 TRP A 6 10.994 -2.891 2.550 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 11.512 -7.744 3.101 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 11.653 -4.260 0.647 1.00 0.00 H new ATOM 0 HH2 TRP A 6 11.914 -6.673 0.884 1.00 0.00 H new ATOM 90 N LYS A 7 11.379 0.432 5.632 1.00 0.00 N ATOM 91 CA LYS A 7 11.093 1.831 5.561 1.00 0.00 C ATOM 92 C LYS A 7 11.266 2.659 6.852 1.00 0.00 C ATOM 93 O LYS A 7 11.615 2.174 7.887 1.00 0.00 O ATOM 94 CB LYS A 7 9.564 1.982 5.227 1.00 0.00 C ATOM 95 CG LYS A 7 9.473 1.301 3.904 1.00 0.00 C ATOM 96 CD LYS A 7 8.243 1.701 3.079 1.00 0.00 C ATOM 97 CE LYS A 7 7.118 2.299 3.868 1.00 0.00 C ATOM 98 NZ LYS A 7 5.759 1.769 3.587 1.00 0.00 N ATOM 0 H LYS A 7 12.016 0.103 4.906 1.00 0.00 H new ATOM 0 HA LYS A 7 11.809 2.206 4.830 1.00 0.00 H new ATOM 0 HB2 LYS A 7 8.933 1.505 5.977 1.00 0.00 H new ATOM 0 HB3 LYS A 7 9.259 3.027 5.171 1.00 0.00 H new ATOM 0 HG2 LYS A 7 10.372 1.525 3.329 1.00 0.00 H new ATOM 0 HG3 LYS A 7 9.456 0.223 4.062 1.00 0.00 H new ATOM 0 HD2 LYS A 7 8.552 2.416 2.317 1.00 0.00 H new ATOM 0 HD3 LYS A 7 7.872 0.819 2.557 1.00 0.00 H new ATOM 0 HE2 LYS A 7 7.329 2.154 4.928 1.00 0.00 H new ATOM 0 HE3 LYS A 7 7.109 3.374 3.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 5.157 1.895 4.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 5.345 2.284 2.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 5.822 0.757 3.355 1.00 0.00 H new ATOM 112 N VAL A 8 10.917 3.900 6.520 1.00 0.00 N ATOM 113 CA VAL A 8 10.811 5.031 7.415 1.00 0.00 C ATOM 114 C VAL A 8 11.652 5.083 8.635 1.00 0.00 C ATOM 115 O VAL A 8 11.501 5.471 9.764 1.00 0.00 O ATOM 116 CB VAL A 8 9.286 4.951 7.761 1.00 0.00 C ATOM 117 CG1 VAL A 8 8.932 4.616 9.196 1.00 0.00 C ATOM 118 CG2 VAL A 8 8.533 6.258 7.539 1.00 0.00 C ATOM 0 H VAL A 8 10.688 4.149 5.558 1.00 0.00 H new ATOM 0 HA VAL A 8 11.188 5.934 6.934 1.00 0.00 H new ATOM 0 HB VAL A 8 8.998 4.148 7.083 1.00 0.00 H new ATOM 0 HG11 VAL A 8 7.848 4.591 9.307 1.00 0.00 H new ATOM 0 HG12 VAL A 8 9.346 3.642 9.455 1.00 0.00 H new ATOM 0 HG13 VAL A 8 9.347 5.375 9.860 1.00 0.00 H new ATOM 0 HG21 VAL A 8 7.484 6.122 7.801 1.00 0.00 H new ATOM 0 HG22 VAL A 8 8.965 7.038 8.166 1.00 0.00 H new ATOM 0 HG23 VAL A 8 8.611 6.549 6.492 1.00 0.00 H new ATOM 300 N LEU A 21 4.219 5.814 7.200 1.00 0.00 N ATOM 301 CA LEU A 21 4.056 4.445 6.718 1.00 0.00 C ATOM 302 C LEU A 21 5.382 3.721 7.117 1.00 0.00 C ATOM 303 O LEU A 21 6.302 4.477 7.402 1.00 0.00 O ATOM 304 CB LEU A 21 3.918 4.446 5.218 1.00 0.00 C ATOM 305 CG LEU A 21 3.895 5.804 4.551 1.00 0.00 C ATOM 306 CD1 LEU A 21 5.297 6.275 4.116 1.00 0.00 C ATOM 307 CD2 LEU A 21 3.003 5.767 3.284 1.00 0.00 C ATOM 0 HA LEU A 21 3.172 3.962 7.135 1.00 0.00 H new ATOM 0 HB2 LEU A 21 4.743 3.872 4.797 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.999 3.921 4.958 1.00 0.00 H new ATOM 0 HG LEU A 21 3.501 6.498 5.294 1.00 0.00 H new ATOM 0 HD11 LEU A 21 5.221 7.254 3.643 1.00 0.00 H new ATOM 0 HD12 LEU A 21 5.945 6.343 4.990 1.00 0.00 H new ATOM 0 HD13 LEU A 21 5.717 5.561 3.407 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.996 6.751 2.815 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.399 5.033 2.582 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.986 5.491 3.563 1.00 0.00 H new ATOM 319 N LYS A 22 5.271 2.403 7.072 1.00 0.00 N ATOM 320 CA LYS A 22 6.383 1.550 7.401 1.00 0.00 C ATOM 321 C LYS A 22 5.848 0.138 6.997 1.00 0.00 C ATOM 322 O LYS A 22 4.655 -0.113 7.055 1.00 0.00 O ATOM 323 CB LYS A 22 6.558 1.314 8.928 1.00 0.00 C ATOM 324 CG LYS A 22 5.334 1.774 9.711 1.00 0.00 C ATOM 325 CD LYS A 22 5.398 1.783 11.204 1.00 0.00 C ATOM 326 CE LYS A 22 6.800 1.627 11.855 1.00 0.00 C ATOM 327 NZ LYS A 22 7.485 2.907 12.058 1.00 0.00 N ATOM 0 H LYS A 22 4.418 1.908 6.810 1.00 0.00 H new ATOM 0 HA LYS A 22 7.286 1.967 6.955 1.00 0.00 H new ATOM 0 HB2 LYS A 22 6.733 0.255 9.115 1.00 0.00 H new ATOM 0 HB3 LYS A 22 7.439 1.850 9.281 1.00 0.00 H new ATOM 0 HG2 LYS A 22 5.094 2.786 9.385 1.00 0.00 H new ATOM 0 HG3 LYS A 22 4.498 1.138 9.420 1.00 0.00 H new ATOM 0 HD2 LYS A 22 4.965 2.720 11.555 1.00 0.00 H new ATOM 0 HD3 LYS A 22 4.762 0.979 11.574 1.00 0.00 H new ATOM 0 HE2 LYS A 22 6.694 1.122 12.815 1.00 0.00 H new ATOM 0 HE3 LYS A 22 7.418 0.987 11.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 8.457 2.733 12.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 7.509 3.434 11.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 6.975 3.464 12.773 1.00 0.00 H new ATOM 341 N LEU A 23 6.897 -0.574 6.647 1.00 0.00 N ATOM 342 CA LEU A 23 6.644 -1.947 6.231 1.00 0.00 C ATOM 343 C LEU A 23 7.408 -2.662 7.395 1.00 0.00 C ATOM 344 O LEU A 23 8.251 -1.901 7.878 1.00 0.00 O ATOM 345 CB LEU A 23 7.036 -2.306 4.843 1.00 0.00 C ATOM 346 CG LEU A 23 5.928 -2.214 3.776 1.00 0.00 C ATOM 347 CD1 LEU A 23 6.599 -2.138 2.378 1.00 0.00 C ATOM 348 CD2 LEU A 23 4.977 -3.386 3.707 1.00 0.00 C ATOM 0 H LEU A 23 7.868 -0.262 6.638 1.00 0.00 H new ATOM 0 HA LEU A 23 5.595 -2.224 6.123 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.857 -1.656 4.540 1.00 0.00 H new ATOM 0 HB3 LEU A 23 7.422 -3.326 4.849 1.00 0.00 H new ATOM 0 HG LEU A 23 5.346 -1.337 4.059 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.830 -2.072 1.608 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.238 -1.256 2.329 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.201 -3.032 2.214 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.241 -3.212 2.922 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.536 -4.295 3.485 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.467 -3.498 4.664 1.00 0.00 H new ATOM 360 N THR A 24 7.060 -3.899 7.671 1.00 0.00 N ATOM 361 CA THR A 24 7.736 -4.627 8.748 1.00 0.00 C ATOM 362 C THR A 24 6.905 -5.911 8.862 1.00 0.00 C ATOM 363 O THR A 24 5.883 -6.073 9.480 1.00 0.00 O ATOM 364 CB THR A 24 7.610 -3.835 10.042 1.00 0.00 C ATOM 365 OG1 THR A 24 8.517 -2.755 10.211 1.00 0.00 O ATOM 366 CG2 THR A 24 7.566 -4.642 11.341 1.00 0.00 C ATOM 0 H THR A 24 6.332 -4.421 7.184 1.00 0.00 H new ATOM 0 HA THR A 24 8.796 -4.803 8.563 1.00 0.00 H new ATOM 0 HB THR A 24 6.615 -3.422 9.872 1.00 0.00 H new ATOM 0 HG1 THR A 24 8.261 -2.017 9.618 1.00 0.00 H new ATOM 0 HG21 THR A 24 7.475 -3.963 12.189 1.00 0.00 H new ATOM 0 HG22 THR A 24 6.709 -5.315 11.322 1.00 0.00 H new ATOM 0 HG23 THR A 24 8.482 -5.224 11.439 1.00 0.00 H new ATOM 374 N ILE A 25 7.490 -6.862 8.166 1.00 0.00 N ATOM 375 CA ILE A 25 6.846 -8.150 8.150 1.00 0.00 C ATOM 376 C ILE A 25 7.727 -9.181 8.846 1.00 0.00 C ATOM 377 O ILE A 25 8.771 -9.493 8.326 1.00 0.00 O ATOM 378 CB ILE A 25 6.657 -8.426 6.646 1.00 0.00 C ATOM 379 CG1 ILE A 25 5.989 -7.260 5.929 1.00 0.00 C ATOM 380 CG2 ILE A 25 5.853 -9.710 6.397 1.00 0.00 C ATOM 381 CD1 ILE A 25 6.919 -6.403 5.054 1.00 0.00 C ATOM 0 H ILE A 25 8.357 -6.777 7.635 1.00 0.00 H new ATOM 0 HA ILE A 25 5.897 -8.191 8.685 1.00 0.00 H new ATOM 0 HB ILE A 25 7.659 -8.555 6.236 1.00 0.00 H new ATOM 0 HG12 ILE A 25 5.188 -7.652 5.302 1.00 0.00 H new ATOM 0 HG13 ILE A 25 5.524 -6.615 6.675 1.00 0.00 H new ATOM 0 HG21 ILE A 25 5.743 -9.868 5.324 1.00 0.00 H new ATOM 0 HG22 ILE A 25 6.377 -10.559 6.837 1.00 0.00 H new ATOM 0 HG23 ILE A 25 4.868 -9.616 6.853 1.00 0.00 H new ATOM 0 HD11 ILE A 25 6.345 -5.601 4.589 1.00 0.00 H new ATOM 0 HD12 ILE A 25 7.707 -5.973 5.673 1.00 0.00 H new ATOM 0 HD13 ILE A 25 7.365 -7.026 4.279 1.00 0.00 H new ATOM 393 N THR A 26 7.221 -9.632 9.988 1.00 0.00 N ATOM 394 CA THR A 26 7.980 -10.605 10.711 1.00 0.00 C ATOM 395 C THR A 26 7.004 -11.432 11.596 1.00 0.00 C ATOM 396 O THR A 26 6.840 -11.244 12.782 1.00 0.00 O ATOM 397 CB THR A 26 8.981 -10.002 11.694 1.00 0.00 C ATOM 398 OG1 THR A 26 9.870 -9.071 11.167 1.00 0.00 O ATOM 399 CG2 THR A 26 9.784 -11.127 12.357 1.00 0.00 C ATOM 0 H THR A 26 6.334 -9.349 10.405 1.00 0.00 H new ATOM 0 HA THR A 26 8.515 -11.184 9.958 1.00 0.00 H new ATOM 0 HB THR A 26 8.369 -9.448 12.406 1.00 0.00 H new ATOM 0 HG1 THR A 26 9.383 -8.256 10.922 1.00 0.00 H new ATOM 0 HG21 THR A 26 10.499 -10.699 13.059 1.00 0.00 H new ATOM 0 HG22 THR A 26 9.106 -11.792 12.891 1.00 0.00 H new ATOM 0 HG23 THR A 26 10.319 -11.691 11.593 1.00 0.00 H new ATOM 407 N GLN A 27 6.432 -12.340 10.768 1.00 0.00 N ATOM 408 CA GLN A 27 5.490 -13.182 11.496 1.00 0.00 C ATOM 409 C GLN A 27 6.172 -14.390 12.098 1.00 0.00 C ATOM 410 O GLN A 27 6.752 -14.224 13.157 1.00 0.00 O ATOM 411 CB GLN A 27 4.279 -13.510 10.569 1.00 0.00 C ATOM 412 CG GLN A 27 3.048 -12.683 10.922 1.00 0.00 C ATOM 413 CD GLN A 27 2.550 -12.885 12.362 1.00 0.00 C ATOM 414 OE1 GLN A 27 1.953 -13.942 12.593 1.00 0.00 O ATOM 415 NE2 GLN A 27 2.841 -11.867 13.161 1.00 0.00 N ATOM 0 H GLN A 27 6.575 -12.490 9.769 1.00 0.00 H new ATOM 0 HA GLN A 27 5.092 -12.647 12.358 1.00 0.00 H new ATOM 0 HB2 GLN A 27 4.556 -13.323 9.531 1.00 0.00 H new ATOM 0 HB3 GLN A 27 4.038 -14.570 10.649 1.00 0.00 H new ATOM 0 HG2 GLN A 27 3.277 -11.628 10.772 1.00 0.00 H new ATOM 0 HG3 GLN A 27 2.243 -12.936 10.232 1.00 0.00 H new ATOM 0 HE21 GLN A 27 3.349 -11.061 12.796 1.00 0.00 H new ATOM 0 HE22 GLN A 27 2.557 -11.890 14.140 1.00 0.00 H new ATOM 424 N GLU A 28 6.050 -15.530 11.385 1.00 0.00 N ATOM 425 CA GLU A 28 6.682 -16.741 11.903 1.00 0.00 C ATOM 426 C GLU A 28 7.502 -17.336 10.743 1.00 0.00 C ATOM 427 O GLU A 28 8.195 -18.316 11.069 1.00 0.00 O ATOM 428 CB GLU A 28 5.527 -17.671 12.263 1.00 0.00 C ATOM 429 CG GLU A 28 5.057 -17.539 13.706 1.00 0.00 C ATOM 430 CD GLU A 28 3.584 -17.138 13.740 1.00 0.00 C ATOM 431 OE1 GLU A 28 2.812 -17.927 13.208 1.00 0.00 O ATOM 432 OE2 GLU A 28 3.364 -16.070 14.301 1.00 0.00 O ATOM 0 H GLU A 28 5.549 -15.629 10.502 1.00 0.00 H new ATOM 0 HA GLU A 28 7.331 -16.576 12.763 1.00 0.00 H new ATOM 0 HB2 GLU A 28 4.688 -17.467 11.598 1.00 0.00 H new ATOM 0 HB3 GLU A 28 5.833 -18.702 12.083 1.00 0.00 H new ATOM 0 HG2 GLU A 28 5.198 -18.484 14.231 1.00 0.00 H new ATOM 0 HG3 GLU A 28 5.658 -16.793 14.226 1.00 0.00 H new ATOM 439 N GLY A 29 7.399 -16.776 9.538 1.00 0.00 N ATOM 440 CA GLY A 29 8.207 -17.411 8.475 1.00 0.00 C ATOM 441 C GLY A 29 7.065 -17.897 7.554 1.00 0.00 C ATOM 442 O GLY A 29 7.278 -18.018 6.369 1.00 0.00 O ATOM 0 H GLY A 29 6.831 -15.970 9.279 1.00 0.00 H new ATOM 0 HA2 GLY A 29 8.876 -16.708 7.979 1.00 0.00 H new ATOM 0 HA3 GLY A 29 8.823 -18.229 8.848 1.00 0.00 H new ATOM 446 N ASN A 30 5.929 -18.133 8.209 1.00 0.00 N ATOM 447 CA ASN A 30 4.762 -18.582 7.547 1.00 0.00 C ATOM 448 C ASN A 30 3.599 -17.588 7.711 1.00 0.00 C ATOM 449 O ASN A 30 2.777 -17.677 6.771 1.00 0.00 O ATOM 450 CB ASN A 30 4.137 -19.908 8.039 1.00 0.00 C ATOM 451 CG ASN A 30 4.995 -20.751 8.926 1.00 0.00 C ATOM 452 OD1 ASN A 30 5.936 -20.317 9.586 1.00 0.00 O ATOM 453 ND2 ASN A 30 4.629 -22.055 8.934 1.00 0.00 N ATOM 0 H ASN A 30 5.819 -18.010 9.216 1.00 0.00 H new ATOM 0 HA ASN A 30 5.143 -18.702 6.533 1.00 0.00 H new ATOM 0 HB2 ASN A 30 3.216 -19.675 8.573 1.00 0.00 H new ATOM 0 HB3 ASN A 30 3.859 -20.500 7.167 1.00 0.00 H new ATOM 0 HD21 ASN A 30 5.143 -22.725 9.506 1.00 0.00 H new ATOM 0 HD22 ASN A 30 3.840 -22.367 8.368 1.00 0.00 H new ATOM 460 N LYS A 31 3.542 -16.777 8.740 1.00 0.00 N ATOM 461 CA LYS A 31 2.379 -15.873 8.769 1.00 0.00 C ATOM 462 C LYS A 31 3.098 -14.599 8.270 1.00 0.00 C ATOM 463 O LYS A 31 4.320 -14.753 8.059 1.00 0.00 O ATOM 464 CB LYS A 31 1.788 -15.809 10.143 1.00 0.00 C ATOM 465 CG LYS A 31 1.141 -17.200 10.428 1.00 0.00 C ATOM 466 CD LYS A 31 -0.323 -17.057 10.790 1.00 0.00 C ATOM 467 CE LYS A 31 -0.800 -18.294 11.557 1.00 0.00 C ATOM 468 NZ LYS A 31 -0.065 -19.542 11.356 1.00 0.00 N ATOM 0 H LYS A 31 4.209 -16.709 9.509 1.00 0.00 H new ATOM 0 HA LYS A 31 1.499 -16.132 8.180 1.00 0.00 H new ATOM 0 HB2 LYS A 31 2.556 -15.582 10.883 1.00 0.00 H new ATOM 0 HB3 LYS A 31 1.042 -15.017 10.205 1.00 0.00 H new ATOM 0 HG2 LYS A 31 1.241 -17.838 9.550 1.00 0.00 H new ATOM 0 HG3 LYS A 31 1.674 -17.692 11.242 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -0.470 -16.164 11.398 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -0.918 -16.928 9.886 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -0.777 -18.059 12.621 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -1.842 -18.472 11.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -0.702 -20.349 11.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 0.305 -19.574 10.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 0.726 -19.591 12.029 1.00 0.00 H new ATOM 482 N PHE A 32 2.411 -13.487 8.112 1.00 0.00 N ATOM 483 CA PHE A 32 3.161 -12.321 7.663 1.00 0.00 C ATOM 484 C PHE A 32 1.982 -11.296 7.718 1.00 0.00 C ATOM 485 O PHE A 32 0.912 -11.659 7.346 1.00 0.00 O ATOM 486 CB PHE A 32 3.800 -12.392 6.310 1.00 0.00 C ATOM 487 CG PHE A 32 5.240 -12.837 6.424 1.00 0.00 C ATOM 488 CD1 PHE A 32 6.096 -12.443 7.416 1.00 0.00 C ATOM 489 CD2 PHE A 32 5.792 -13.711 5.505 1.00 0.00 C ATOM 490 CE1 PHE A 32 7.402 -12.911 7.444 1.00 0.00 C ATOM 491 CE2 PHE A 32 7.119 -14.147 5.585 1.00 0.00 C ATOM 492 CZ PHE A 32 7.862 -13.674 6.624 1.00 0.00 C ATOM 0 H PHE A 32 1.412 -13.360 8.271 1.00 0.00 H new ATOM 0 HA PHE A 32 4.053 -12.118 8.256 1.00 0.00 H new ATOM 0 HB2 PHE A 32 3.248 -13.087 5.677 1.00 0.00 H new ATOM 0 HB3 PHE A 32 3.753 -11.416 5.828 1.00 0.00 H new ATOM 0 HD1 PHE A 32 5.753 -11.763 8.182 1.00 0.00 H new ATOM 0 HD2 PHE A 32 5.175 -14.071 4.695 1.00 0.00 H new ATOM 0 HE1 PHE A 32 8.046 -12.575 8.244 1.00 0.00 H new ATOM 0 HE2 PHE A 32 7.535 -14.827 4.857 1.00 0.00 H new ATOM 0 HZ PHE A 32 8.891 -13.988 6.719 1.00 0.00 H new ATOM 502 N THR A 33 2.502 -10.175 8.216 1.00 0.00 N ATOM 503 CA THR A 33 1.567 -9.063 8.360 1.00 0.00 C ATOM 504 C THR A 33 2.373 -7.995 7.642 1.00 0.00 C ATOM 505 O THR A 33 3.504 -7.683 8.069 1.00 0.00 O ATOM 506 CB THR A 33 1.249 -8.840 9.797 1.00 0.00 C ATOM 507 OG1 THR A 33 -0.113 -9.022 10.135 1.00 0.00 O ATOM 508 CG2 THR A 33 1.509 -7.392 10.155 1.00 0.00 C ATOM 0 H THR A 33 3.468 -10.017 8.502 1.00 0.00 H new ATOM 0 HA THR A 33 0.563 -9.159 7.947 1.00 0.00 H new ATOM 0 HB THR A 33 1.868 -9.567 10.323 1.00 0.00 H new ATOM 0 HG1 THR A 33 -0.237 -8.859 11.093 1.00 0.00 H new ATOM 0 HG21 THR A 33 1.276 -7.230 11.207 1.00 0.00 H new ATOM 0 HG22 THR A 33 2.558 -7.155 9.975 1.00 0.00 H new ATOM 0 HG23 THR A 33 0.881 -6.747 9.541 1.00 0.00 H new ATOM 516 N VAL A 34 1.805 -7.463 6.590 1.00 0.00 N ATOM 517 CA VAL A 34 2.638 -6.423 5.923 1.00 0.00 C ATOM 518 C VAL A 34 2.270 -5.228 6.758 1.00 0.00 C ATOM 519 O VAL A 34 1.125 -4.891 6.983 1.00 0.00 O ATOM 520 CB VAL A 34 2.191 -6.549 4.481 1.00 0.00 C ATOM 521 CG1 VAL A 34 2.039 -5.345 3.587 1.00 0.00 C ATOM 522 CG2 VAL A 34 3.197 -7.420 3.673 1.00 0.00 C ATOM 0 H VAL A 34 0.890 -7.676 6.194 1.00 0.00 H new ATOM 0 HA VAL A 34 3.727 -6.437 5.872 1.00 0.00 H new ATOM 0 HB VAL A 34 1.189 -6.933 4.672 1.00 0.00 H new ATOM 0 HG11 VAL A 34 1.710 -5.665 2.598 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.300 -4.666 4.013 1.00 0.00 H new ATOM 0 HG13 VAL A 34 2.997 -4.832 3.502 1.00 0.00 H new ATOM 0 HG21 VAL A 34 2.860 -7.500 2.639 1.00 0.00 H new ATOM 0 HG22 VAL A 34 4.183 -6.956 3.699 1.00 0.00 H new ATOM 0 HG23 VAL A 34 3.253 -8.415 4.114 1.00 0.00 H new ATOM 532 N LYS A 35 3.407 -4.610 7.204 1.00 0.00 N ATOM 533 CA LYS A 35 3.272 -3.463 8.016 1.00 0.00 C ATOM 534 C LYS A 35 2.712 -2.170 7.448 1.00 0.00 C ATOM 535 O LYS A 35 2.439 -1.201 8.115 1.00 0.00 O ATOM 536 CB LYS A 35 4.524 -3.120 8.878 1.00 0.00 C ATOM 537 CG LYS A 35 4.244 -2.163 10.055 1.00 0.00 C ATOM 538 CD LYS A 35 5.127 -2.284 11.271 1.00 0.00 C ATOM 539 CE LYS A 35 4.406 -1.950 12.576 1.00 0.00 C ATOM 540 NZ LYS A 35 5.061 -0.809 13.228 1.00 0.00 N ATOM 0 H LYS A 35 4.362 -4.905 7.002 1.00 0.00 H new ATOM 0 HA LYS A 35 2.458 -3.860 8.623 1.00 0.00 H new ATOM 0 HB2 LYS A 35 4.945 -4.046 9.270 1.00 0.00 H new ATOM 0 HB3 LYS A 35 5.282 -2.673 8.235 1.00 0.00 H new ATOM 0 HG2 LYS A 35 4.320 -1.141 9.684 1.00 0.00 H new ATOM 0 HG3 LYS A 35 3.212 -2.311 10.372 1.00 0.00 H new ATOM 0 HD2 LYS A 35 5.517 -3.300 11.329 1.00 0.00 H new ATOM 0 HD3 LYS A 35 5.984 -1.620 11.157 1.00 0.00 H new ATOM 0 HE2 LYS A 35 3.361 -1.715 12.375 1.00 0.00 H new ATOM 0 HE3 LYS A 35 4.416 -2.815 13.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 5.282 -1.053 14.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 5.941 -0.579 12.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 4.425 0.014 13.208 1.00 0.00 H new ATOM 554 N GLU A 36 2.600 -2.303 6.114 1.00 0.00 N ATOM 555 CA GLU A 36 2.121 -1.323 5.195 1.00 0.00 C ATOM 556 C GLU A 36 1.099 -0.406 5.890 1.00 0.00 C ATOM 557 O GLU A 36 -0.110 -0.651 5.842 1.00 0.00 O ATOM 558 CB GLU A 36 1.306 -2.171 4.183 1.00 0.00 C ATOM 559 CG GLU A 36 0.712 -1.413 2.975 1.00 0.00 C ATOM 560 CD GLU A 36 0.839 -2.335 1.739 1.00 0.00 C ATOM 561 OE1 GLU A 36 1.979 -2.677 1.431 1.00 0.00 O ATOM 562 OE2 GLU A 36 -0.162 -2.681 1.116 1.00 0.00 O ATOM 0 H GLU A 36 2.867 -3.168 5.644 1.00 0.00 H new ATOM 0 HA GLU A 36 2.927 -0.721 4.776 1.00 0.00 H new ATOM 0 HB2 GLU A 36 1.950 -2.965 3.805 1.00 0.00 H new ATOM 0 HB3 GLU A 36 0.489 -2.652 4.720 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -0.332 -1.159 3.158 1.00 0.00 H new ATOM 0 HG3 GLU A 36 1.244 -0.476 2.811 1.00 0.00 H new ATOM 569 N SER A 37 1.695 0.631 6.514 1.00 0.00 N ATOM 570 CA SER A 37 0.768 1.534 7.197 1.00 0.00 C ATOM 571 C SER A 37 0.135 2.494 6.226 1.00 0.00 C ATOM 572 O SER A 37 0.767 2.720 5.184 1.00 0.00 O ATOM 573 CB SER A 37 1.586 2.208 8.308 1.00 0.00 C ATOM 574 OG SER A 37 1.171 3.561 8.431 1.00 0.00 O ATOM 0 H SER A 37 2.691 0.845 6.558 1.00 0.00 H new ATOM 0 HA SER A 37 -0.080 1.011 7.639 1.00 0.00 H new ATOM 0 HB2 SER A 37 1.443 1.683 9.252 1.00 0.00 H new ATOM 0 HB3 SER A 37 2.650 2.160 8.075 1.00 0.00 H new ATOM 0 HG SER A 37 1.688 3.998 9.140 1.00 0.00 H new ATOM 580 N SER A 38 -1.056 3.007 6.591 1.00 0.00 N ATOM 581 CA SER A 38 -1.689 3.930 5.681 1.00 0.00 C ATOM 582 C SER A 38 -1.934 5.266 6.348 1.00 0.00 C ATOM 583 O SER A 38 -1.166 5.595 7.263 1.00 0.00 O ATOM 584 CB SER A 38 -3.004 3.242 5.241 1.00 0.00 C ATOM 585 OG SER A 38 -3.761 4.033 4.363 1.00 0.00 O ATOM 0 H SER A 38 -1.559 2.805 7.455 1.00 0.00 H new ATOM 0 HA SER A 38 -1.061 4.151 4.818 1.00 0.00 H new ATOM 0 HB2 SER A 38 -2.769 2.293 4.758 1.00 0.00 H new ATOM 0 HB3 SER A 38 -3.602 3.012 6.123 1.00 0.00 H new ATOM 0 HG SER A 38 -4.579 3.554 4.114 1.00 0.00 H new ATOM 591 N ASN A 39 -2.978 5.985 5.887 1.00 0.00 N ATOM 592 CA ASN A 39 -3.265 7.291 6.492 1.00 0.00 C ATOM 593 C ASN A 39 -4.453 7.143 7.460 1.00 0.00 C ATOM 594 O ASN A 39 -4.526 7.885 8.430 1.00 0.00 O ATOM 595 CB ASN A 39 -3.568 8.309 5.428 1.00 0.00 C ATOM 596 CG ASN A 39 -2.317 9.126 5.098 1.00 0.00 C ATOM 597 OD1 ASN A 39 -1.297 8.649 4.586 1.00 0.00 O ATOM 598 ND2 ASN A 39 -2.414 10.442 5.430 1.00 0.00 N ATOM 0 H ASN A 39 -3.605 5.699 5.136 1.00 0.00 H new ATOM 0 HA ASN A 39 -2.391 7.638 7.044 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -3.930 7.809 4.530 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -4.364 8.972 5.767 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -1.629 11.071 5.258 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -3.271 10.800 5.851 1.00 0.00 H new ATOM 605 N PHE A 40 -5.266 6.163 7.049 1.00 0.00 N ATOM 606 CA PHE A 40 -6.408 5.977 7.925 1.00 0.00 C ATOM 607 C PHE A 40 -5.814 5.461 9.262 1.00 0.00 C ATOM 608 O PHE A 40 -6.004 6.150 10.249 1.00 0.00 O ATOM 609 CB PHE A 40 -7.460 5.016 7.369 1.00 0.00 C ATOM 610 CG PHE A 40 -8.379 5.713 6.435 1.00 0.00 C ATOM 611 CD1 PHE A 40 -9.013 6.881 6.775 1.00 0.00 C ATOM 612 CD2 PHE A 40 -8.647 5.243 5.188 1.00 0.00 C ATOM 613 CE1 PHE A 40 -9.860 7.511 5.899 1.00 0.00 C ATOM 614 CE2 PHE A 40 -9.507 5.941 4.382 1.00 0.00 C ATOM 615 CZ PHE A 40 -10.085 6.977 4.658 1.00 0.00 C ATOM 0 H PHE A 40 -5.175 5.563 6.229 1.00 0.00 H new ATOM 0 HA PHE A 40 -6.951 6.915 8.044 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -6.968 4.192 6.853 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -8.031 4.582 8.190 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -8.842 7.312 7.750 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -8.188 4.331 4.837 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -10.350 8.429 6.188 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -9.692 5.530 3.400 1.00 0.00 H new ATOM 0 HZ PHE A 40 -10.748 7.455 3.953 1.00 0.00 H new ATOM 625 N ARG A 41 -5.153 4.308 9.159 1.00 0.00 N ATOM 626 CA ARG A 41 -4.543 3.728 10.340 1.00 0.00 C ATOM 627 C ARG A 41 -3.324 2.879 10.037 1.00 0.00 C ATOM 628 O ARG A 41 -2.817 3.053 8.910 1.00 0.00 O ATOM 629 CB ARG A 41 -5.540 2.953 11.203 1.00 0.00 C ATOM 630 CG ARG A 41 -6.903 2.630 10.584 1.00 0.00 C ATOM 631 CD ARG A 41 -6.912 2.178 9.110 1.00 0.00 C ATOM 632 NE ARG A 41 -7.640 0.935 9.007 1.00 0.00 N ATOM 633 CZ ARG A 41 -7.351 -0.162 9.728 1.00 0.00 C ATOM 634 NH1 ARG A 41 -6.379 -0.252 10.615 1.00 0.00 N ATOM 635 NH2 ARG A 41 -8.090 -1.258 9.554 1.00 0.00 N ATOM 0 H ARG A 41 -5.032 3.777 8.297 1.00 0.00 H new ATOM 0 HA ARG A 41 -4.198 4.585 10.918 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -5.072 2.014 11.497 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -5.711 3.524 12.116 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -7.370 1.847 11.182 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -7.533 3.515 10.671 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -7.377 2.940 8.485 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -5.892 2.048 8.749 1.00 0.00 H new ATOM 0 HE ARG A 41 -8.418 0.887 8.349 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -5.778 0.552 10.796 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -6.228 -1.125 11.120 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -8.859 -1.254 8.883 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -7.887 -2.101 10.091 1.00 0.00 H new ATOM 649 N ASN A 42 -2.843 2.025 10.921 1.00 0.00 N ATOM 650 CA ASN A 42 -1.668 1.286 10.555 1.00 0.00 C ATOM 651 C ASN A 42 -2.059 0.076 9.673 1.00 0.00 C ATOM 652 O ASN A 42 -1.190 -0.470 9.024 1.00 0.00 O ATOM 653 CB ASN A 42 -0.783 0.911 11.751 1.00 0.00 C ATOM 654 CG ASN A 42 -0.794 2.073 12.754 1.00 0.00 C ATOM 655 OD1 ASN A 42 -0.872 3.271 12.494 1.00 0.00 O ATOM 656 ND2 ASN A 42 -0.703 1.628 14.019 1.00 0.00 N ATOM 0 H ASN A 42 -3.228 1.837 11.847 1.00 0.00 H new ATOM 0 HA ASN A 42 -1.034 1.942 9.959 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -1.152 0.001 12.223 1.00 0.00 H new ATOM 0 HB3 ASN A 42 0.235 0.708 11.419 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -0.697 2.291 14.794 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -0.640 0.627 14.204 1.00 0.00 H new ATOM 663 N ILE A 43 -3.356 -0.149 9.791 1.00 0.00 N ATOM 664 CA ILE A 43 -4.037 -1.211 9.077 1.00 0.00 C ATOM 665 C ILE A 43 -3.091 -2.267 8.612 1.00 0.00 C ATOM 666 O ILE A 43 -2.409 -2.345 7.596 1.00 0.00 O ATOM 667 CB ILE A 43 -4.761 -0.515 7.903 1.00 0.00 C ATOM 668 CG1 ILE A 43 -5.454 -1.448 6.937 1.00 0.00 C ATOM 669 CG2 ILE A 43 -3.694 0.193 7.056 1.00 0.00 C ATOM 670 CD1 ILE A 43 -6.538 -0.726 6.097 1.00 0.00 C ATOM 0 H ILE A 43 -3.969 0.405 10.389 1.00 0.00 H new ATOM 0 HA ILE A 43 -4.742 -1.739 9.720 1.00 0.00 H new ATOM 0 HB ILE A 43 -5.511 0.130 8.361 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -4.715 -1.890 6.269 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -5.913 -2.267 7.492 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -4.172 0.696 6.216 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -3.171 0.927 7.669 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -2.981 -0.541 6.681 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -7.007 -1.439 5.418 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -7.293 -0.306 6.761 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -6.077 0.075 5.520 1.00 0.00 H new ATOM 682 N ASP A 44 -3.011 -3.307 9.494 1.00 0.00 N ATOM 683 CA ASP A 44 -2.150 -4.439 9.216 1.00 0.00 C ATOM 684 C ASP A 44 -3.034 -5.395 8.419 1.00 0.00 C ATOM 685 O ASP A 44 -4.261 -5.365 8.604 1.00 0.00 O ATOM 686 CB ASP A 44 -1.626 -5.161 10.450 1.00 0.00 C ATOM 687 CG ASP A 44 -2.381 -4.890 11.747 1.00 0.00 C ATOM 688 OD1 ASP A 44 -2.502 -3.701 12.086 1.00 0.00 O ATOM 689 OD2 ASP A 44 -2.837 -5.831 12.409 1.00 0.00 O ATOM 0 H ASP A 44 -3.526 -3.363 10.372 1.00 0.00 H new ATOM 0 HA ASP A 44 -1.255 -4.094 8.698 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -1.647 -6.234 10.257 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -0.582 -4.883 10.594 1.00 0.00 H new ATOM 694 N VAL A 45 -2.304 -6.148 7.607 1.00 0.00 N ATOM 695 CA VAL A 45 -3.062 -7.090 6.802 1.00 0.00 C ATOM 696 C VAL A 45 -2.390 -8.430 7.085 1.00 0.00 C ATOM 697 O VAL A 45 -1.452 -8.751 6.389 1.00 0.00 O ATOM 698 CB VAL A 45 -3.008 -6.707 5.344 1.00 0.00 C ATOM 699 CG1 VAL A 45 -3.451 -7.797 4.365 1.00 0.00 C ATOM 700 CG2 VAL A 45 -4.005 -5.548 5.088 1.00 0.00 C ATOM 0 H VAL A 45 -1.291 -6.135 7.492 1.00 0.00 H new ATOM 0 HA VAL A 45 -4.125 -7.116 7.044 1.00 0.00 H new ATOM 0 HB VAL A 45 -1.959 -6.470 5.169 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -3.375 -7.422 3.344 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -2.810 -8.671 4.479 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -4.484 -8.075 4.573 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -3.972 -5.265 4.036 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -5.013 -5.872 5.345 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -3.732 -4.690 5.703 1.00 0.00 H new ATOM 710 N VAL A 46 -2.914 -9.143 8.102 1.00 0.00 N ATOM 711 CA VAL A 46 -2.205 -10.388 8.282 1.00 0.00 C ATOM 712 C VAL A 46 -2.769 -11.584 7.532 1.00 0.00 C ATOM 713 O VAL A 46 -3.949 -11.544 7.168 1.00 0.00 O ATOM 714 CB VAL A 46 -2.429 -10.710 9.775 1.00 0.00 C ATOM 715 CG1 VAL A 46 -3.698 -11.526 10.065 1.00 0.00 C ATOM 716 CG2 VAL A 46 -1.328 -11.523 10.476 1.00 0.00 C ATOM 0 H VAL A 46 -3.698 -8.919 8.715 1.00 0.00 H new ATOM 0 HA VAL A 46 -1.183 -10.253 7.928 1.00 0.00 H new ATOM 0 HB VAL A 46 -2.471 -9.691 10.161 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -3.777 -11.707 11.137 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -4.573 -10.972 9.725 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -3.646 -12.479 9.539 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -1.602 -11.683 11.519 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -1.214 -12.486 9.978 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -0.386 -10.977 10.428 1.00 0.00 H new ATOM 726 N PHE A 47 -1.871 -12.555 7.363 1.00 0.00 N ATOM 727 CA PHE A 47 -2.317 -13.729 6.665 1.00 0.00 C ATOM 728 C PHE A 47 -1.501 -14.939 7.050 1.00 0.00 C ATOM 729 O PHE A 47 -0.649 -14.761 7.920 1.00 0.00 O ATOM 730 CB PHE A 47 -2.148 -13.506 5.132 1.00 0.00 C ATOM 731 CG PHE A 47 -0.925 -12.615 4.928 1.00 0.00 C ATOM 732 CD1 PHE A 47 -0.945 -11.263 5.045 1.00 0.00 C ATOM 733 CD2 PHE A 47 0.295 -13.194 4.598 1.00 0.00 C ATOM 734 CE1 PHE A 47 0.190 -10.510 4.853 1.00 0.00 C ATOM 735 CE2 PHE A 47 1.408 -12.383 4.414 1.00 0.00 C ATOM 736 CZ PHE A 47 1.270 -11.020 4.564 1.00 0.00 C ATOM 0 H PHE A 47 -0.901 -12.548 7.679 1.00 0.00 H new ATOM 0 HA PHE A 47 -3.360 -13.901 6.929 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -2.018 -14.459 4.618 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -3.038 -13.037 4.713 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -1.872 -10.768 5.294 1.00 0.00 H new ATOM 0 HD2 PHE A 47 0.377 -14.265 4.486 1.00 0.00 H new ATOM 0 HE1 PHE A 47 0.130 -9.437 4.960 1.00 0.00 H new ATOM 0 HE2 PHE A 47 2.365 -12.813 4.158 1.00 0.00 H new ATOM 0 HZ PHE A 47 2.132 -10.385 4.424 1.00 0.00 H new ATOM 746 N GLU A 48 -1.802 -16.073 6.403 1.00 0.00 N ATOM 747 CA GLU A 48 -1.006 -17.192 6.801 1.00 0.00 C ATOM 748 C GLU A 48 -0.403 -17.936 5.577 1.00 0.00 C ATOM 749 O GLU A 48 -0.249 -19.128 5.724 1.00 0.00 O ATOM 750 CB GLU A 48 -2.018 -18.162 7.461 1.00 0.00 C ATOM 751 CG GLU A 48 -1.317 -19.164 8.362 1.00 0.00 C ATOM 752 CD GLU A 48 -1.685 -20.615 8.065 1.00 0.00 C ATOM 753 OE1 GLU A 48 -1.891 -20.985 6.895 1.00 0.00 O ATOM 754 OE2 GLU A 48 -1.790 -21.426 8.961 1.00 0.00 O ATOM 0 H GLU A 48 -2.511 -16.217 5.684 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.184 -16.870 7.441 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.744 -17.593 8.042 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.574 -18.692 6.688 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -0.239 -19.043 8.257 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -1.563 -18.941 9.400 1.00 0.00 H new ATOM 761 N LEU A 49 -0.161 -17.087 4.567 1.00 0.00 N ATOM 762 CA LEU A 49 0.403 -17.568 3.323 1.00 0.00 C ATOM 763 C LEU A 49 -0.430 -18.641 2.664 1.00 0.00 C ATOM 764 O LEU A 49 -0.464 -19.831 2.934 1.00 0.00 O ATOM 765 CB LEU A 49 1.818 -18.083 3.705 1.00 0.00 C ATOM 766 CG LEU A 49 2.936 -17.119 3.394 1.00 0.00 C ATOM 767 CD1 LEU A 49 2.918 -15.750 4.108 1.00 0.00 C ATOM 768 CD2 LEU A 49 4.345 -17.682 3.734 1.00 0.00 C ATOM 0 H LEU A 49 -0.347 -16.085 4.596 1.00 0.00 H new ATOM 0 HA LEU A 49 0.437 -16.775 2.576 1.00 0.00 H new ATOM 0 HB2 LEU A 49 1.834 -18.308 4.772 1.00 0.00 H new ATOM 0 HB3 LEU A 49 2.005 -19.019 3.179 1.00 0.00 H new ATOM 0 HG LEU A 49 2.752 -16.982 2.329 1.00 0.00 H new ATOM 0 HD11 LEU A 49 3.779 -15.162 3.789 1.00 0.00 H new ATOM 0 HD12 LEU A 49 2.001 -15.219 3.853 1.00 0.00 H new ATOM 0 HD13 LEU A 49 2.961 -15.902 5.187 1.00 0.00 H new ATOM 0 HD21 LEU A 49 5.103 -16.939 3.486 1.00 0.00 H new ATOM 0 HD22 LEU A 49 4.397 -17.913 4.798 1.00 0.00 H new ATOM 0 HD23 LEU A 49 4.524 -18.589 3.156 1.00 0.00 H new ATOM 780 N GLY A 50 -1.167 -18.093 1.694 1.00 0.00 N ATOM 781 CA GLY A 50 -2.067 -18.935 0.903 1.00 0.00 C ATOM 782 C GLY A 50 -3.375 -18.969 1.730 1.00 0.00 C ATOM 783 O GLY A 50 -3.789 -20.087 1.944 1.00 0.00 O ATOM 0 H GLY A 50 -1.161 -17.104 1.443 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -2.234 -18.517 -0.090 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -1.657 -19.935 0.763 1.00 0.00 H new ATOM 787 N VAL A 51 -3.787 -17.737 2.039 1.00 0.00 N ATOM 788 CA VAL A 51 -4.982 -17.506 2.802 1.00 0.00 C ATOM 789 C VAL A 51 -5.866 -16.418 2.227 1.00 0.00 C ATOM 790 O VAL A 51 -5.610 -15.229 2.321 1.00 0.00 O ATOM 791 CB VAL A 51 -4.672 -17.253 4.288 1.00 0.00 C ATOM 792 CG1 VAL A 51 -5.754 -16.615 5.139 1.00 0.00 C ATOM 793 CG2 VAL A 51 -4.395 -18.613 4.973 1.00 0.00 C ATOM 0 H VAL A 51 -3.295 -16.888 1.762 1.00 0.00 H new ATOM 0 HA VAL A 51 -5.557 -18.429 2.732 1.00 0.00 H new ATOM 0 HB VAL A 51 -3.841 -16.549 4.245 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -5.392 -16.499 6.161 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -6.008 -15.637 4.731 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -6.640 -17.250 5.137 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -4.173 -18.451 6.028 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -5.273 -19.252 4.881 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.543 -19.095 4.493 1.00 0.00 H new ATOM 803 N ASP A 52 -6.956 -16.965 1.609 1.00 0.00 N ATOM 804 CA ASP A 52 -7.879 -15.981 1.022 1.00 0.00 C ATOM 805 C ASP A 52 -8.773 -15.373 2.141 1.00 0.00 C ATOM 806 O ASP A 52 -9.110 -16.076 3.061 1.00 0.00 O ATOM 807 CB ASP A 52 -8.735 -16.507 -0.104 1.00 0.00 C ATOM 808 CG ASP A 52 -9.053 -18.005 0.085 1.00 0.00 C ATOM 809 OD1 ASP A 52 -9.435 -18.410 1.160 1.00 0.00 O ATOM 810 OD2 ASP A 52 -8.879 -18.704 -0.893 1.00 0.00 O ATOM 0 H ASP A 52 -7.189 -17.953 1.515 1.00 0.00 H new ATOM 0 HA ASP A 52 -7.250 -15.215 0.567 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -9.664 -15.939 -0.153 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -8.221 -16.359 -1.054 1.00 0.00 H new ATOM 815 N PHE A 53 -9.060 -14.054 1.894 1.00 0.00 N ATOM 816 CA PHE A 53 -9.886 -13.488 2.931 1.00 0.00 C ATOM 817 C PHE A 53 -10.780 -12.336 2.518 1.00 0.00 C ATOM 818 O PHE A 53 -10.310 -11.339 1.996 1.00 0.00 O ATOM 819 CB PHE A 53 -9.086 -12.958 4.141 1.00 0.00 C ATOM 820 CG PHE A 53 -7.927 -12.054 3.773 1.00 0.00 C ATOM 821 CD1 PHE A 53 -7.969 -10.718 3.487 1.00 0.00 C ATOM 822 CD2 PHE A 53 -6.674 -12.650 3.717 1.00 0.00 C ATOM 823 CE1 PHE A 53 -6.812 -10.044 3.169 1.00 0.00 C ATOM 824 CE2 PHE A 53 -5.566 -11.891 3.386 1.00 0.00 C ATOM 825 CZ PHE A 53 -5.585 -10.712 3.135 1.00 0.00 C ATOM 0 H PHE A 53 -8.773 -13.468 1.110 1.00 0.00 H new ATOM 0 HA PHE A 53 -10.497 -14.354 3.185 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -9.763 -12.412 4.799 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -8.704 -13.806 4.709 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -8.911 -10.191 3.511 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -6.565 -13.703 3.931 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -6.853 -8.989 2.944 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -4.611 -12.393 3.350 1.00 0.00 H new ATOM 0 HZ PHE A 53 -4.675 -10.184 2.890 1.00 0.00 H new ATOM 835 N ALA A 54 -12.101 -12.460 2.748 1.00 0.00 N ATOM 836 CA ALA A 54 -12.976 -11.361 2.356 1.00 0.00 C ATOM 837 C ALA A 54 -13.072 -10.531 3.662 1.00 0.00 C ATOM 838 O ALA A 54 -14.126 -10.597 4.263 1.00 0.00 O ATOM 839 CB ALA A 54 -14.375 -11.826 1.970 1.00 0.00 C ATOM 0 H ALA A 54 -12.558 -13.264 3.178 1.00 0.00 H new ATOM 0 HA ALA A 54 -12.590 -10.830 1.486 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -14.980 -10.964 1.688 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -14.310 -12.515 1.128 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -14.837 -12.332 2.818 1.00 0.00 H new ATOM 845 N TYR A 55 -11.992 -9.825 3.992 1.00 0.00 N ATOM 846 CA TYR A 55 -12.066 -9.039 5.219 1.00 0.00 C ATOM 847 C TYR A 55 -12.379 -7.571 4.950 1.00 0.00 C ATOM 848 O TYR A 55 -11.674 -6.862 4.242 1.00 0.00 O ATOM 849 CB TYR A 55 -10.820 -9.195 6.113 1.00 0.00 C ATOM 850 CG TYR A 55 -11.087 -9.143 7.603 1.00 0.00 C ATOM 851 CD1 TYR A 55 -11.973 -8.304 8.248 1.00 0.00 C ATOM 852 CD2 TYR A 55 -10.388 -10.012 8.457 1.00 0.00 C ATOM 853 CE1 TYR A 55 -12.166 -8.306 9.609 1.00 0.00 C ATOM 854 CE2 TYR A 55 -10.646 -9.949 9.800 1.00 0.00 C ATOM 855 CZ TYR A 55 -11.566 -9.060 10.346 1.00 0.00 C ATOM 856 OH TYR A 55 -11.782 -9.042 11.697 1.00 0.00 O ATOM 0 H TYR A 55 -11.116 -9.779 3.471 1.00 0.00 H new ATOM 0 HA TYR A 55 -12.904 -9.453 5.780 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -10.341 -10.145 5.879 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -10.109 -8.408 5.859 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -12.545 -7.609 7.652 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -9.665 -10.712 8.064 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -12.876 -7.613 10.037 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -10.114 -10.616 10.462 1.00 0.00 H new ATOM 0 HH TYR A 55 -11.215 -9.715 12.128 1.00 0.00 H new ATOM 866 N SER A 56 -13.498 -7.191 5.581 1.00 0.00 N ATOM 867 CA SER A 56 -13.810 -5.789 5.335 1.00 0.00 C ATOM 868 C SER A 56 -12.812 -4.963 6.174 1.00 0.00 C ATOM 869 O SER A 56 -12.852 -5.018 7.399 1.00 0.00 O ATOM 870 CB SER A 56 -15.223 -5.630 5.866 1.00 0.00 C ATOM 871 OG SER A 56 -15.648 -4.293 5.878 1.00 0.00 O ATOM 0 H SER A 56 -14.117 -7.740 6.177 1.00 0.00 H new ATOM 0 HA SER A 56 -13.741 -5.473 4.294 1.00 0.00 H new ATOM 0 HB2 SER A 56 -15.906 -6.219 5.253 1.00 0.00 H new ATOM 0 HB3 SER A 56 -15.274 -6.033 6.878 1.00 0.00 H new ATOM 0 HG SER A 56 -16.563 -4.244 6.226 1.00 0.00 H new ATOM 877 N LEU A 57 -11.980 -4.243 5.428 1.00 0.00 N ATOM 878 CA LEU A 57 -10.964 -3.396 6.067 1.00 0.00 C ATOM 879 C LEU A 57 -11.267 -1.922 5.920 1.00 0.00 C ATOM 880 O LEU A 57 -11.975 -1.539 4.990 1.00 0.00 O ATOM 881 CB LEU A 57 -9.566 -3.718 5.523 1.00 0.00 C ATOM 882 CG LEU A 57 -8.693 -4.389 6.604 1.00 0.00 C ATOM 883 CD1 LEU A 57 -9.412 -5.647 7.091 1.00 0.00 C ATOM 884 CD2 LEU A 57 -7.335 -4.874 6.156 1.00 0.00 C ATOM 0 H LEU A 57 -11.982 -4.223 4.408 1.00 0.00 H new ATOM 0 HA LEU A 57 -10.987 -3.623 7.133 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -9.651 -4.377 4.659 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -9.086 -2.802 5.180 1.00 0.00 H new ATOM 0 HG LEU A 57 -8.543 -3.609 7.350 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -8.810 -6.137 7.857 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -10.380 -5.373 7.510 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -9.559 -6.329 6.254 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -6.814 -5.327 7.000 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -7.456 -5.614 5.365 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -6.754 -4.032 5.780 1.00 0.00 H new ATOM 896 N ALA A 58 -10.746 -1.108 6.818 1.00 0.00 N ATOM 897 CA ALA A 58 -10.969 0.312 6.776 1.00 0.00 C ATOM 898 C ALA A 58 -12.437 0.707 6.717 1.00 0.00 C ATOM 899 O ALA A 58 -12.673 1.827 6.249 1.00 0.00 O ATOM 900 CB ALA A 58 -10.339 0.802 5.463 1.00 0.00 C ATOM 0 H ALA A 58 -10.159 -1.418 7.592 1.00 0.00 H new ATOM 0 HA ALA A 58 -10.548 0.742 7.685 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -10.477 1.880 5.373 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -9.274 0.571 5.462 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -10.819 0.304 4.621 1.00 0.00 H new ATOM 906 N ASP A 59 -13.306 -0.220 7.188 1.00 0.00 N ATOM 907 CA ASP A 59 -14.749 0.021 7.190 1.00 0.00 C ATOM 908 C ASP A 59 -15.214 0.748 5.928 1.00 0.00 C ATOM 909 O ASP A 59 -16.074 1.601 5.998 1.00 0.00 O ATOM 910 CB ASP A 59 -15.221 0.749 8.451 1.00 0.00 C ATOM 911 CG ASP A 59 -16.566 0.201 8.886 1.00 0.00 C ATOM 912 OD1 ASP A 59 -17.498 0.322 8.097 1.00 0.00 O ATOM 913 OD2 ASP A 59 -16.691 -0.335 9.982 1.00 0.00 O ATOM 0 H ASP A 59 -13.027 -1.126 7.564 1.00 0.00 H new ATOM 0 HA ASP A 59 -15.217 -0.963 7.194 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -14.491 0.623 9.250 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -15.299 1.819 8.257 1.00 0.00 H new ATOM 918 N GLY A 60 -14.574 0.329 4.810 1.00 0.00 N ATOM 919 CA GLY A 60 -14.866 0.890 3.508 1.00 0.00 C ATOM 920 C GLY A 60 -14.480 -0.200 2.487 1.00 0.00 C ATOM 921 O GLY A 60 -15.318 -0.633 1.708 1.00 0.00 O ATOM 0 H GLY A 60 -13.856 -0.396 4.804 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -15.921 1.151 3.422 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -14.297 1.804 3.339 1.00 0.00 H new ATOM 925 N THR A 61 -13.214 -0.555 2.592 1.00 0.00 N ATOM 926 CA THR A 61 -12.570 -1.559 1.767 1.00 0.00 C ATOM 927 C THR A 61 -12.905 -3.011 2.159 1.00 0.00 C ATOM 928 O THR A 61 -13.158 -3.305 3.326 1.00 0.00 O ATOM 929 CB THR A 61 -11.058 -1.281 1.702 1.00 0.00 C ATOM 930 OG1 THR A 61 -10.348 -1.928 2.705 1.00 0.00 O ATOM 931 CG2 THR A 61 -10.749 0.228 1.754 1.00 0.00 C ATOM 0 H THR A 61 -12.584 -0.138 3.277 1.00 0.00 H new ATOM 0 HA THR A 61 -12.983 -1.470 0.762 1.00 0.00 H new ATOM 0 HB THR A 61 -10.732 -1.681 0.742 1.00 0.00 H new ATOM 0 HG1 THR A 61 -10.884 -1.947 3.525 1.00 0.00 H new ATOM 0 HG21 THR A 61 -9.671 0.380 1.706 1.00 0.00 H new ATOM 0 HG22 THR A 61 -11.224 0.726 0.909 1.00 0.00 H new ATOM 0 HG23 THR A 61 -11.133 0.646 2.684 1.00 0.00 H new ATOM 939 N GLU A 62 -12.890 -3.858 1.131 1.00 0.00 N ATOM 940 CA GLU A 62 -13.199 -5.251 1.427 1.00 0.00 C ATOM 941 C GLU A 62 -12.279 -6.039 0.501 1.00 0.00 C ATOM 942 O GLU A 62 -12.706 -6.728 -0.418 1.00 0.00 O ATOM 943 CB GLU A 62 -14.669 -5.535 1.136 1.00 0.00 C ATOM 944 CG GLU A 62 -15.650 -4.428 1.526 1.00 0.00 C ATOM 945 CD GLU A 62 -16.858 -5.082 2.230 1.00 0.00 C ATOM 946 OE1 GLU A 62 -17.175 -6.228 1.997 1.00 0.00 O ATOM 947 OE2 GLU A 62 -17.497 -4.396 3.046 1.00 0.00 O ATOM 0 H GLU A 62 -12.684 -3.629 0.159 1.00 0.00 H new ATOM 0 HA GLU A 62 -13.044 -5.515 2.473 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -14.777 -5.732 0.069 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -14.954 -6.448 1.659 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -15.168 -3.708 2.188 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -15.976 -3.880 0.642 1.00 0.00 H new ATOM 954 N LEU A 63 -10.993 -5.825 0.886 1.00 0.00 N ATOM 955 CA LEU A 63 -9.972 -6.505 0.110 1.00 0.00 C ATOM 956 C LEU A 63 -10.250 -8.007 0.211 1.00 0.00 C ATOM 957 O LEU A 63 -10.216 -8.587 1.282 1.00 0.00 O ATOM 958 CB LEU A 63 -8.602 -6.128 0.675 1.00 0.00 C ATOM 959 CG LEU A 63 -7.947 -4.913 0.003 1.00 0.00 C ATOM 960 CD1 LEU A 63 -8.626 -3.610 0.409 1.00 0.00 C ATOM 961 CD2 LEU A 63 -6.488 -4.714 0.365 1.00 0.00 C ATOM 0 H LEU A 63 -10.676 -5.240 1.659 1.00 0.00 H new ATOM 0 HA LEU A 63 -9.984 -6.217 -0.941 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -8.706 -5.925 1.741 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -7.935 -6.984 0.577 1.00 0.00 H new ATOM 0 HG LEU A 63 -8.049 -5.132 -1.060 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -8.134 -2.773 -0.087 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -9.675 -3.640 0.116 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -8.555 -3.484 1.489 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -6.102 -3.835 -0.151 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -6.396 -4.572 1.442 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -5.916 -5.592 0.065 1.00 0.00 H new ATOM 973 N THR A 64 -10.523 -8.551 -0.975 1.00 0.00 N ATOM 974 CA THR A 64 -10.827 -9.955 -1.144 1.00 0.00 C ATOM 975 C THR A 64 -9.844 -10.550 -2.151 1.00 0.00 C ATOM 976 O THR A 64 -9.892 -10.280 -3.324 1.00 0.00 O ATOM 977 CB THR A 64 -12.253 -10.097 -1.690 1.00 0.00 C ATOM 978 OG1 THR A 64 -13.177 -9.327 -0.962 1.00 0.00 O ATOM 979 CG2 THR A 64 -12.682 -11.538 -1.679 1.00 0.00 C ATOM 0 H THR A 64 -10.537 -8.019 -1.845 1.00 0.00 H new ATOM 0 HA THR A 64 -10.746 -10.474 -0.189 1.00 0.00 H new ATOM 0 HB THR A 64 -12.238 -9.727 -2.715 1.00 0.00 H new ATOM 0 HG1 THR A 64 -12.953 -8.377 -1.051 1.00 0.00 H new ATOM 0 HG21 THR A 64 -13.696 -11.619 -2.070 1.00 0.00 H new ATOM 0 HG22 THR A 64 -12.006 -12.124 -2.301 1.00 0.00 H new ATOM 0 HG23 THR A 64 -12.656 -11.918 -0.658 1.00 0.00 H new ATOM 987 N GLY A 65 -8.974 -11.371 -1.597 1.00 0.00 N ATOM 988 CA GLY A 65 -8.011 -11.957 -2.555 1.00 0.00 C ATOM 989 C GLY A 65 -7.102 -12.813 -1.677 1.00 0.00 C ATOM 990 O GLY A 65 -7.657 -13.340 -0.720 1.00 0.00 O ATOM 0 H GLY A 65 -8.897 -11.635 -0.615 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -8.515 -12.556 -3.313 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -7.449 -11.185 -3.080 1.00 0.00 H new ATOM 994 N THR A 66 -5.827 -12.858 -2.096 1.00 0.00 N ATOM 995 CA THR A 66 -4.903 -13.673 -1.340 1.00 0.00 C ATOM 996 C THR A 66 -3.464 -13.688 -1.712 1.00 0.00 C ATOM 997 O THR A 66 -3.056 -13.678 -2.877 1.00 0.00 O ATOM 998 CB THR A 66 -5.414 -15.113 -1.673 1.00 0.00 C ATOM 999 OG1 THR A 66 -4.750 -16.018 -0.892 1.00 0.00 O ATOM 1000 CG2 THR A 66 -5.169 -15.331 -3.194 1.00 0.00 C ATOM 0 H THR A 66 -5.443 -12.368 -2.904 1.00 0.00 H new ATOM 0 HA THR A 66 -4.905 -13.293 -0.318 1.00 0.00 H new ATOM 0 HB THR A 66 -6.475 -15.243 -1.461 1.00 0.00 H new ATOM 0 HG1 THR A 66 -5.068 -16.922 -1.096 1.00 0.00 H new ATOM 0 HG21 THR A 66 -5.510 -16.326 -3.479 1.00 0.00 H new ATOM 0 HG22 THR A 66 -5.720 -14.582 -3.762 1.00 0.00 H new ATOM 0 HG23 THR A 66 -4.104 -15.238 -3.408 1.00 0.00 H new ATOM 1008 N TRP A 67 -2.509 -13.724 -0.748 1.00 0.00 N ATOM 1009 CA TRP A 67 -1.098 -13.770 -1.084 1.00 0.00 C ATOM 1010 C TRP A 67 -0.763 -15.251 -0.706 1.00 0.00 C ATOM 1011 O TRP A 67 -1.348 -15.722 0.224 1.00 0.00 O ATOM 1012 CB TRP A 67 -0.191 -12.849 -0.289 1.00 0.00 C ATOM 1013 CG TRP A 67 -0.667 -11.418 -0.445 1.00 0.00 C ATOM 1014 CD1 TRP A 67 -0.817 -10.456 0.537 1.00 0.00 C ATOM 1015 CD2 TRP A 67 -1.063 -10.794 -1.697 1.00 0.00 C ATOM 1016 NE1 TRP A 67 -1.257 -9.397 -0.089 1.00 0.00 N ATOM 1017 CE2 TRP A 67 -1.458 -9.474 -1.449 1.00 0.00 C ATOM 1018 CE3 TRP A 67 -1.119 -11.208 -2.983 1.00 0.00 C ATOM 1019 CZ2 TRP A 67 -1.893 -8.704 -2.471 1.00 0.00 C ATOM 1020 CZ3 TRP A 67 -1.535 -10.425 -4.019 1.00 0.00 C ATOM 1021 CH2 TRP A 67 -1.945 -9.145 -3.782 1.00 0.00 C ATOM 0 H TRP A 67 -2.706 -13.721 0.253 1.00 0.00 H new ATOM 0 HA TRP A 67 -0.932 -13.452 -2.113 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -0.197 -13.134 0.763 1.00 0.00 H new ATOM 0 HB3 TRP A 67 0.837 -12.942 -0.638 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -0.614 -10.558 1.593 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -1.447 -8.533 0.418 1.00 0.00 H new ATOM 0 HE3 TRP A 67 -0.816 -12.221 -3.203 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -2.215 -7.696 -2.254 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 -1.540 -10.817 -5.025 1.00 0.00 H new ATOM 0 HH2 TRP A 67 -2.294 -8.506 -4.580 1.00 0.00 H new ATOM 1032 N THR A 68 0.155 -15.693 -1.576 1.00 0.00 N ATOM 1033 CA THR A 68 0.720 -17.005 -1.573 1.00 0.00 C ATOM 1034 C THR A 68 2.277 -17.057 -1.549 1.00 0.00 C ATOM 1035 O THR A 68 2.737 -18.072 -2.015 1.00 0.00 O ATOM 1036 CB THR A 68 0.243 -17.825 -2.749 1.00 0.00 C ATOM 1037 OG1 THR A 68 0.753 -17.458 -4.015 1.00 0.00 O ATOM 1038 CG2 THR A 68 -1.303 -17.891 -2.843 1.00 0.00 C ATOM 0 H THR A 68 0.524 -15.105 -2.323 1.00 0.00 H new ATOM 0 HA THR A 68 0.366 -17.426 -0.632 1.00 0.00 H new ATOM 0 HB THR A 68 0.657 -18.807 -2.519 1.00 0.00 H new ATOM 0 HG1 THR A 68 1.222 -16.601 -3.943 1.00 0.00 H new ATOM 0 HG21 THR A 68 -1.590 -18.492 -3.706 1.00 0.00 H new ATOM 0 HG22 THR A 68 -1.704 -18.343 -1.936 1.00 0.00 H new ATOM 0 HG23 THR A 68 -1.704 -16.884 -2.954 1.00 0.00 H new ATOM 1046 N MET A 69 2.726 -15.946 -1.006 1.00 0.00 N ATOM 1047 CA MET A 69 4.101 -15.573 -0.781 1.00 0.00 C ATOM 1048 C MET A 69 5.000 -16.655 -1.365 1.00 0.00 C ATOM 1049 O MET A 69 5.121 -17.727 -0.806 1.00 0.00 O ATOM 1050 CB MET A 69 4.430 -15.512 0.740 1.00 0.00 C ATOM 1051 CG MET A 69 5.533 -14.496 1.020 1.00 0.00 C ATOM 1052 SD MET A 69 6.688 -15.078 2.252 1.00 0.00 S ATOM 1053 CE MET A 69 8.267 -14.575 1.548 1.00 0.00 C ATOM 0 H MET A 69 2.083 -15.222 -0.685 1.00 0.00 H new ATOM 0 HA MET A 69 4.260 -14.597 -1.240 1.00 0.00 H new ATOM 0 HB2 MET A 69 3.534 -15.244 1.299 1.00 0.00 H new ATOM 0 HB3 MET A 69 4.741 -16.497 1.088 1.00 0.00 H new ATOM 0 HG2 MET A 69 6.069 -14.279 0.096 1.00 0.00 H new ATOM 0 HG3 MET A 69 5.086 -13.560 1.356 1.00 0.00 H new ATOM 0 HE1 MET A 69 8.923 -14.220 2.343 1.00 0.00 H new ATOM 0 HE2 MET A 69 8.730 -15.426 1.049 1.00 0.00 H new ATOM 0 HE3 MET A 69 8.105 -13.775 0.826 1.00 0.00 H new ATOM 1063 N GLU A 70 5.555 -16.219 -2.490 1.00 0.00 N ATOM 1064 CA GLU A 70 6.438 -17.134 -3.186 1.00 0.00 C ATOM 1065 C GLU A 70 7.855 -16.611 -3.172 1.00 0.00 C ATOM 1066 O GLU A 70 8.156 -15.651 -2.490 1.00 0.00 O ATOM 1067 CB GLU A 70 5.995 -17.215 -4.665 1.00 0.00 C ATOM 1068 CG GLU A 70 4.510 -17.170 -4.970 1.00 0.00 C ATOM 1069 CD GLU A 70 3.878 -15.803 -4.665 1.00 0.00 C ATOM 1070 OE1 GLU A 70 4.639 -14.836 -4.634 1.00 0.00 O ATOM 1071 OE2 GLU A 70 2.655 -15.723 -4.458 1.00 0.00 O ATOM 0 H GLU A 70 5.421 -15.301 -2.914 1.00 0.00 H new ATOM 0 HA GLU A 70 6.393 -18.106 -2.695 1.00 0.00 H new ATOM 0 HB2 GLU A 70 6.470 -16.393 -5.201 1.00 0.00 H new ATOM 0 HB3 GLU A 70 6.393 -18.140 -5.082 1.00 0.00 H new ATOM 0 HG2 GLU A 70 4.353 -17.411 -6.021 1.00 0.00 H new ATOM 0 HG3 GLU A 70 4.001 -17.938 -4.387 1.00 0.00 H new ATOM 1078 N GLY A 71 8.661 -17.326 -3.973 1.00 0.00 N ATOM 1079 CA GLY A 71 10.047 -16.912 -4.040 1.00 0.00 C ATOM 1080 C GLY A 71 10.099 -15.456 -4.543 1.00 0.00 C ATOM 1081 O GLY A 71 9.881 -15.254 -5.737 1.00 0.00 O ATOM 0 H GLY A 71 8.394 -18.132 -4.539 1.00 0.00 H new ATOM 0 HA2 GLY A 71 10.514 -16.990 -3.058 1.00 0.00 H new ATOM 0 HA3 GLY A 71 10.605 -17.565 -4.711 1.00 0.00 H new ATOM 1085 N ASN A 72 10.392 -14.621 -3.544 1.00 0.00 N ATOM 1086 CA ASN A 72 10.502 -13.190 -3.761 1.00 0.00 C ATOM 1087 C ASN A 72 9.411 -12.720 -4.731 1.00 0.00 C ATOM 1088 O ASN A 72 9.826 -12.124 -5.734 1.00 0.00 O ATOM 1089 CB ASN A 72 11.904 -12.837 -4.265 1.00 0.00 C ATOM 1090 CG ASN A 72 12.904 -13.707 -3.523 1.00 0.00 C ATOM 1091 OD1 ASN A 72 12.801 -13.931 -2.327 1.00 0.00 O ATOM 1092 ND2 ASN A 72 13.873 -14.184 -4.280 1.00 0.00 N ATOM 0 H ASN A 72 10.556 -14.917 -2.582 1.00 0.00 H new ATOM 0 HA ASN A 72 10.352 -12.668 -2.816 1.00 0.00 H new ATOM 0 HB2 ASN A 72 11.976 -13.006 -5.339 1.00 0.00 H new ATOM 0 HB3 ASN A 72 12.116 -11.782 -4.093 1.00 0.00 H new ATOM 0 HD21 ASN A 72 14.594 -14.778 -3.871 1.00 0.00 H new ATOM 0 HD22 ASN A 72 13.901 -13.959 -5.274 1.00 0.00 H new ATOM 1099 N LYS A 73 8.134 -12.994 -4.425 1.00 0.00 N ATOM 1100 CA LYS A 73 7.062 -12.566 -5.322 1.00 0.00 C ATOM 1101 C LYS A 73 5.875 -12.068 -4.506 1.00 0.00 C ATOM 1102 O LYS A 73 6.071 -12.008 -3.296 1.00 0.00 O ATOM 1103 CB LYS A 73 6.672 -13.667 -6.281 1.00 0.00 C ATOM 1104 CG LYS A 73 7.311 -13.612 -7.637 1.00 0.00 C ATOM 1105 CD LYS A 73 6.290 -13.150 -8.695 1.00 0.00 C ATOM 1106 CE LYS A 73 6.785 -11.905 -9.443 1.00 0.00 C ATOM 1107 NZ LYS A 73 6.106 -11.723 -10.729 1.00 0.00 N ATOM 0 H LYS A 73 7.829 -13.494 -3.590 1.00 0.00 H new ATOM 0 HA LYS A 73 7.423 -11.740 -5.934 1.00 0.00 H new ATOM 0 HB2 LYS A 73 6.918 -14.625 -5.823 1.00 0.00 H new ATOM 0 HB3 LYS A 73 5.590 -13.644 -6.409 1.00 0.00 H new ATOM 0 HG2 LYS A 73 8.159 -12.928 -7.618 1.00 0.00 H new ATOM 0 HG3 LYS A 73 7.700 -14.595 -7.903 1.00 0.00 H new ATOM 0 HD2 LYS A 73 6.110 -13.956 -9.406 1.00 0.00 H new ATOM 0 HD3 LYS A 73 5.337 -12.932 -8.213 1.00 0.00 H new ATOM 0 HE2 LYS A 73 6.625 -11.023 -8.822 1.00 0.00 H new ATOM 0 HE3 LYS A 73 7.859 -11.987 -9.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 6.473 -10.870 -11.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 6.279 -12.552 -11.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 5.084 -11.618 -10.570 1.00 0.00 H new ATOM 1121 N LEU A 74 4.754 -11.742 -5.140 1.00 0.00 N ATOM 1122 CA LEU A 74 3.641 -11.266 -4.325 1.00 0.00 C ATOM 1123 C LEU A 74 2.280 -11.331 -4.980 1.00 0.00 C ATOM 1124 O LEU A 74 1.414 -10.520 -4.703 1.00 0.00 O ATOM 1125 CB LEU A 74 4.042 -9.880 -3.735 1.00 0.00 C ATOM 1126 CG LEU A 74 4.077 -9.974 -2.203 1.00 0.00 C ATOM 1127 CD1 LEU A 74 4.500 -8.678 -1.510 1.00 0.00 C ATOM 1128 CD2 LEU A 74 2.778 -10.516 -1.566 1.00 0.00 C ATOM 0 H LEU A 74 4.594 -11.792 -6.146 1.00 0.00 H new ATOM 0 HA LEU A 74 3.480 -11.963 -3.503 1.00 0.00 H new ATOM 0 HB2 LEU A 74 5.018 -9.578 -4.115 1.00 0.00 H new ATOM 0 HB3 LEU A 74 3.328 -9.118 -4.048 1.00 0.00 H new ATOM 0 HG LEU A 74 4.857 -10.715 -2.027 1.00 0.00 H new ATOM 0 HD11 LEU A 74 4.500 -8.826 -0.430 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.502 -8.400 -1.838 1.00 0.00 H new ATOM 0 HD13 LEU A 74 3.800 -7.883 -1.767 1.00 0.00 H new ATOM 0 HD21 LEU A 74 2.890 -10.549 -0.482 1.00 0.00 H new ATOM 0 HD22 LEU A 74 1.945 -9.862 -1.825 1.00 0.00 H new ATOM 0 HD23 LEU A 74 2.580 -11.520 -1.941 1.00 0.00 H new ATOM 1140 N VAL A 75 2.280 -12.379 -5.837 1.00 0.00 N ATOM 1141 CA VAL A 75 1.169 -12.751 -6.633 1.00 0.00 C ATOM 1142 C VAL A 75 -0.093 -13.096 -5.837 1.00 0.00 C ATOM 1143 O VAL A 75 -0.096 -13.778 -4.822 1.00 0.00 O ATOM 1144 CB VAL A 75 1.594 -13.963 -7.488 1.00 0.00 C ATOM 1145 CG1 VAL A 75 0.444 -14.796 -8.031 1.00 0.00 C ATOM 1146 CG2 VAL A 75 2.339 -13.470 -8.735 1.00 0.00 C ATOM 0 H VAL A 75 3.092 -12.982 -5.971 1.00 0.00 H new ATOM 0 HA VAL A 75 0.897 -11.888 -7.241 1.00 0.00 H new ATOM 0 HB VAL A 75 2.192 -14.575 -6.813 1.00 0.00 H new ATOM 0 HG11 VAL A 75 0.840 -15.624 -8.619 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -0.144 -15.188 -7.202 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -0.190 -14.173 -8.663 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.640 -14.325 -9.341 1.00 0.00 H new ATOM 0 HG22 VAL A 75 1.683 -12.825 -9.319 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.224 -12.910 -8.433 1.00 0.00 H new ATOM 1156 N GLY A 76 -1.175 -12.552 -6.422 1.00 0.00 N ATOM 1157 CA GLY A 76 -2.459 -12.809 -5.760 1.00 0.00 C ATOM 1158 C GLY A 76 -3.350 -11.614 -6.178 1.00 0.00 C ATOM 1159 O GLY A 76 -3.266 -11.234 -7.310 1.00 0.00 O ATOM 0 H GLY A 76 -1.193 -11.985 -7.270 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -2.889 -13.758 -6.081 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -2.345 -12.861 -4.677 1.00 0.00 H new ATOM 1163 N LYS A 77 -4.103 -11.209 -5.106 1.00 0.00 N ATOM 1164 CA LYS A 77 -4.984 -10.114 -5.429 1.00 0.00 C ATOM 1165 C LYS A 77 -5.754 -9.669 -4.179 1.00 0.00 C ATOM 1166 O LYS A 77 -5.563 -10.330 -3.185 1.00 0.00 O ATOM 1167 CB LYS A 77 -5.962 -10.806 -6.389 1.00 0.00 C ATOM 1168 CG LYS A 77 -7.294 -10.138 -6.508 1.00 0.00 C ATOM 1169 CD LYS A 77 -8.241 -10.838 -7.487 1.00 0.00 C ATOM 1170 CE LYS A 77 -9.377 -9.910 -7.940 1.00 0.00 C ATOM 1171 NZ LYS A 77 -10.526 -10.035 -7.057 1.00 0.00 N ATOM 0 H LYS A 77 -4.108 -11.578 -4.155 1.00 0.00 H new ATOM 0 HA LYS A 77 -4.478 -9.233 -5.825 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -5.506 -10.856 -7.378 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -6.113 -11.832 -6.055 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -7.763 -10.101 -5.525 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -7.148 -9.107 -6.830 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -7.679 -11.177 -8.357 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -8.662 -11.725 -7.014 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -9.028 -8.877 -7.947 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -9.668 -10.155 -8.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -11.318 -10.463 -7.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -10.277 -10.638 -6.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -10.805 -9.093 -6.715 1.00 0.00 H new ATOM 1185 N PHE A 78 -6.523 -8.594 -4.462 1.00 0.00 N ATOM 1186 CA PHE A 78 -7.452 -7.967 -3.546 1.00 0.00 C ATOM 1187 C PHE A 78 -8.106 -6.885 -4.420 1.00 0.00 C ATOM 1188 O PHE A 78 -7.825 -6.534 -5.545 1.00 0.00 O ATOM 1189 CB PHE A 78 -6.838 -7.410 -2.323 1.00 0.00 C ATOM 1190 CG PHE A 78 -5.945 -8.230 -1.455 1.00 0.00 C ATOM 1191 CD1 PHE A 78 -6.110 -9.444 -0.866 1.00 0.00 C ATOM 1192 CD2 PHE A 78 -4.696 -7.631 -1.221 1.00 0.00 C ATOM 1193 CE1 PHE A 78 -5.109 -10.020 -0.145 1.00 0.00 C ATOM 1194 CE2 PHE A 78 -3.770 -8.288 -0.472 1.00 0.00 C ATOM 1195 CZ PHE A 78 -4.031 -9.537 0.047 1.00 0.00 C ATOM 0 H PHE A 78 -6.499 -8.136 -5.373 1.00 0.00 H new ATOM 0 HA PHE A 78 -8.155 -8.688 -3.130 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -6.266 -6.533 -2.627 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -7.654 -7.055 -1.693 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -7.052 -9.961 -0.972 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -4.473 -6.658 -1.632 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -5.303 -10.990 0.288 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -2.814 -7.823 -0.281 1.00 0.00 H new ATOM 0 HZ PHE A 78 -3.280 -10.068 0.614 1.00 0.00 H new ATOM 1205 N LYS A 79 -9.092 -6.381 -3.670 1.00 0.00 N ATOM 1206 CA LYS A 79 -9.899 -5.318 -4.247 1.00 0.00 C ATOM 1207 C LYS A 79 -10.605 -4.556 -3.160 1.00 0.00 C ATOM 1208 O LYS A 79 -9.980 -4.203 -2.169 1.00 0.00 O ATOM 1209 CB LYS A 79 -10.765 -6.140 -5.209 1.00 0.00 C ATOM 1210 CG LYS A 79 -11.446 -5.288 -6.265 1.00 0.00 C ATOM 1211 CD LYS A 79 -12.869 -5.743 -6.703 1.00 0.00 C ATOM 1212 CE LYS A 79 -12.772 -6.807 -7.807 1.00 0.00 C ATOM 1213 NZ LYS A 79 -14.022 -7.169 -8.460 1.00 0.00 N ATOM 0 H LYS A 79 -9.336 -6.672 -2.723 1.00 0.00 H new ATOM 0 HA LYS A 79 -9.389 -4.509 -4.771 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -10.144 -6.889 -5.699 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -11.523 -6.678 -4.639 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -11.513 -4.267 -5.890 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -10.808 -5.262 -7.148 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -13.409 -6.146 -5.846 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -13.437 -4.886 -7.064 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -12.079 -6.449 -8.568 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -12.336 -7.709 -7.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -13.838 -7.892 -9.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -14.686 -7.547 -7.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -14.436 -6.327 -8.908 1.00 0.00 H new ATOM 1227 N ARG A 80 -11.909 -4.310 -3.351 1.00 0.00 N ATOM 1228 CA ARG A 80 -12.677 -3.601 -2.347 1.00 0.00 C ATOM 1229 C ARG A 80 -14.134 -3.335 -2.831 1.00 0.00 C ATOM 1230 O ARG A 80 -14.510 -2.186 -2.851 1.00 0.00 O ATOM 1231 CB ARG A 80 -12.007 -2.384 -1.734 1.00 0.00 C ATOM 1232 CG ARG A 80 -11.140 -1.593 -2.696 1.00 0.00 C ATOM 1233 CD ARG A 80 -10.239 -0.635 -1.875 1.00 0.00 C ATOM 1234 NE ARG A 80 -9.526 0.292 -2.701 1.00 0.00 N ATOM 1235 CZ ARG A 80 -9.342 1.591 -2.411 1.00 0.00 C ATOM 1236 NH1 ARG A 80 -9.799 2.187 -1.313 1.00 0.00 N ATOM 1237 NH2 ARG A 80 -8.644 2.350 -3.282 1.00 0.00 N ATOM 0 H ARG A 80 -12.436 -4.590 -4.178 1.00 0.00 H new ATOM 0 HA ARG A 80 -12.728 -4.284 -1.499 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -12.777 -1.725 -1.332 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -11.393 -2.707 -0.893 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -10.528 -2.267 -3.296 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -11.763 -1.026 -3.388 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -10.854 -0.084 -1.164 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -9.527 -1.221 -1.294 1.00 0.00 H new ATOM 0 HE ARG A 80 -9.129 -0.059 -3.573 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -10.328 1.652 -0.625 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -9.620 3.179 -1.159 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -8.271 1.934 -4.136 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -8.489 3.339 -3.087 1.00 0.00 H new ATOM 1251 N VAL A 81 -14.689 -4.516 -3.141 1.00 0.00 N ATOM 1252 CA VAL A 81 -16.018 -4.714 -3.624 1.00 0.00 C ATOM 1253 C VAL A 81 -16.978 -3.782 -2.827 1.00 0.00 C ATOM 1254 O VAL A 81 -17.535 -4.177 -1.834 1.00 0.00 O ATOM 1255 CB VAL A 81 -16.468 -6.141 -3.388 1.00 0.00 C ATOM 1256 CG1 VAL A 81 -17.995 -6.312 -3.547 1.00 0.00 C ATOM 1257 CG2 VAL A 81 -15.912 -7.221 -4.347 1.00 0.00 C ATOM 0 H VAL A 81 -14.175 -5.392 -3.048 1.00 0.00 H new ATOM 0 HA VAL A 81 -16.036 -4.496 -4.692 1.00 0.00 H new ATOM 0 HB VAL A 81 -16.086 -6.294 -2.379 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -18.265 -7.353 -3.368 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -18.509 -5.674 -2.828 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -18.289 -6.030 -4.558 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -16.312 -8.196 -4.068 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -16.207 -6.986 -5.370 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -14.824 -7.242 -4.279 1.00 0.00 H new ATOM 1267 N ASP A 82 -17.022 -2.600 -3.430 1.00 0.00 N ATOM 1268 CA ASP A 82 -17.840 -1.553 -2.883 1.00 0.00 C ATOM 1269 C ASP A 82 -17.501 -0.275 -3.632 1.00 0.00 C ATOM 1270 O ASP A 82 -18.466 0.432 -3.937 1.00 0.00 O ATOM 1271 CB ASP A 82 -17.528 -1.302 -1.379 1.00 0.00 C ATOM 1272 CG ASP A 82 -18.175 -0.028 -0.918 1.00 0.00 C ATOM 1273 OD1 ASP A 82 -19.339 0.184 -1.204 1.00 0.00 O ATOM 1274 OD2 ASP A 82 -17.552 0.784 -0.261 1.00 0.00 O ATOM 0 H ASP A 82 -16.510 -2.357 -4.278 1.00 0.00 H new ATOM 0 HA ASP A 82 -18.887 -1.841 -2.981 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -17.890 -2.139 -0.781 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -16.450 -1.245 -1.229 1.00 0.00 H new ATOM 1279 N ASN A 83 -16.181 -0.069 -3.872 1.00 0.00 N ATOM 1280 CA ASN A 83 -15.891 1.133 -4.571 1.00 0.00 C ATOM 1281 C ASN A 83 -14.408 1.434 -4.767 1.00 0.00 C ATOM 1282 O ASN A 83 -14.197 2.498 -5.387 1.00 0.00 O ATOM 1283 CB ASN A 83 -16.382 2.337 -3.708 1.00 0.00 C ATOM 1284 CG ASN A 83 -15.216 2.771 -2.807 1.00 0.00 C ATOM 1285 OD1 ASN A 83 -14.942 2.198 -1.767 1.00 0.00 O ATOM 1286 ND2 ASN A 83 -14.515 3.814 -3.230 1.00 0.00 N ATOM 0 H ASN A 83 -15.399 -0.669 -3.611 1.00 0.00 H new ATOM 0 HA ASN A 83 -16.371 1.003 -5.541 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -16.699 3.161 -4.347 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -17.244 2.050 -3.106 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -13.726 4.154 -2.681 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -14.765 4.276 -4.104 1.00 0.00 H new ATOM 1293 N GLY A 84 -13.496 0.602 -4.291 1.00 0.00 N ATOM 1294 CA GLY A 84 -12.131 1.047 -4.543 1.00 0.00 C ATOM 1295 C GLY A 84 -11.635 0.204 -5.733 1.00 0.00 C ATOM 1296 O GLY A 84 -10.881 0.736 -6.538 1.00 0.00 O ATOM 0 H GLY A 84 -13.638 -0.275 -3.791 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -12.102 2.111 -4.777 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -11.501 0.897 -3.666 1.00 0.00 H new ATOM 1300 N LYS A 85 -12.141 -1.036 -5.681 1.00 0.00 N ATOM 1301 CA LYS A 85 -11.786 -1.964 -6.719 1.00 0.00 C ATOM 1302 C LYS A 85 -10.400 -2.512 -6.599 1.00 0.00 C ATOM 1303 O LYS A 85 -9.829 -2.169 -5.542 1.00 0.00 O ATOM 1304 CB LYS A 85 -11.959 -1.251 -8.063 1.00 0.00 C ATOM 1305 CG LYS A 85 -12.464 -2.332 -9.046 1.00 0.00 C ATOM 1306 CD LYS A 85 -13.878 -1.987 -9.490 1.00 0.00 C ATOM 1307 CE LYS A 85 -14.598 -2.999 -10.365 1.00 0.00 C ATOM 1308 NZ LYS A 85 -15.627 -2.356 -11.203 1.00 0.00 N ATOM 0 H LYS A 85 -12.768 -1.392 -4.959 1.00 0.00 H new ATOM 0 HA LYS A 85 -12.444 -2.829 -6.632 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -12.672 -0.431 -7.982 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -11.017 -0.822 -8.403 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -11.803 -2.391 -9.911 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -12.450 -3.311 -8.567 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -14.482 -1.822 -8.597 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -13.841 -1.040 -10.029 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -13.876 -3.509 -11.002 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -15.062 -3.759 -9.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -16.098 -3.076 -11.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -16.329 -1.890 -10.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -15.180 -1.648 -11.820 1.00 0.00 H new ATOM 1322 N GLU A 86 -9.974 -3.293 -7.588 1.00 0.00 N ATOM 1323 CA GLU A 86 -8.686 -3.911 -7.538 1.00 0.00 C ATOM 1324 C GLU A 86 -7.559 -3.097 -6.853 1.00 0.00 C ATOM 1325 O GLU A 86 -7.521 -1.912 -7.026 1.00 0.00 O ATOM 1326 CB GLU A 86 -8.240 -4.503 -8.872 1.00 0.00 C ATOM 1327 CG GLU A 86 -9.360 -5.263 -9.613 1.00 0.00 C ATOM 1328 CD GLU A 86 -8.809 -6.337 -10.547 1.00 0.00 C ATOM 1329 OE1 GLU A 86 -8.121 -6.063 -11.514 1.00 0.00 O ATOM 1330 OE2 GLU A 86 -9.121 -7.473 -10.228 1.00 0.00 O ATOM 0 H GLU A 86 -10.515 -3.503 -8.427 1.00 0.00 H new ATOM 0 HA GLU A 86 -8.859 -4.743 -6.856 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -7.872 -3.701 -9.511 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -7.405 -5.181 -8.698 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -10.027 -5.725 -8.885 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -9.957 -4.556 -10.188 1.00 0.00 H new ATOM 1337 N LEU A 87 -6.787 -3.944 -6.158 1.00 0.00 N ATOM 1338 CA LEU A 87 -5.619 -3.565 -5.393 1.00 0.00 C ATOM 1339 C LEU A 87 -4.624 -4.715 -5.355 1.00 0.00 C ATOM 1340 O LEU A 87 -3.970 -4.963 -4.387 1.00 0.00 O ATOM 1341 CB LEU A 87 -5.928 -3.119 -3.957 1.00 0.00 C ATOM 1342 CG LEU A 87 -6.958 -1.974 -3.838 1.00 0.00 C ATOM 1343 CD1 LEU A 87 -7.355 -1.842 -2.345 1.00 0.00 C ATOM 1344 CD2 LEU A 87 -6.529 -0.604 -4.291 1.00 0.00 C ATOM 0 H LEU A 87 -6.976 -4.946 -6.120 1.00 0.00 H new ATOM 0 HA LEU A 87 -5.198 -2.700 -5.906 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -6.296 -3.978 -3.397 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -4.999 -2.803 -3.483 1.00 0.00 H new ATOM 0 HG LEU A 87 -7.762 -2.267 -4.514 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -8.083 -1.039 -2.232 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -7.792 -2.779 -2.001 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -6.469 -1.615 -1.752 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -7.350 0.099 -4.151 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -5.669 -0.280 -3.705 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -6.257 -0.638 -5.346 1.00 0.00 H new ATOM 1356 N ILE A 88 -4.656 -5.310 -6.536 1.00 0.00 N ATOM 1357 CA ILE A 88 -3.785 -6.479 -6.792 1.00 0.00 C ATOM 1358 C ILE A 88 -2.402 -5.811 -6.618 1.00 0.00 C ATOM 1359 O ILE A 88 -2.400 -4.642 -6.875 1.00 0.00 O ATOM 1360 CB ILE A 88 -4.090 -6.959 -8.189 1.00 0.00 C ATOM 1361 CG1 ILE A 88 -5.512 -7.601 -8.127 1.00 0.00 C ATOM 1362 CG2 ILE A 88 -3.142 -7.963 -8.776 1.00 0.00 C ATOM 1363 CD1 ILE A 88 -5.991 -8.293 -9.387 1.00 0.00 C ATOM 0 H ILE A 88 -5.248 -5.027 -7.317 1.00 0.00 H new ATOM 0 HA ILE A 88 -3.887 -7.364 -6.164 1.00 0.00 H new ATOM 0 HB ILE A 88 -4.003 -6.092 -8.843 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -5.525 -8.325 -7.313 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -6.229 -6.821 -7.871 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -3.469 -8.228 -9.781 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -2.141 -7.535 -8.822 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -3.126 -8.857 -8.152 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -6.989 -8.699 -9.222 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -6.022 -7.575 -10.207 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -5.307 -9.103 -9.639 1.00 0.00 H new ATOM 1375 N ALA A 89 -1.505 -6.687 -6.222 1.00 0.00 N ATOM 1376 CA ALA A 89 -0.102 -6.405 -5.945 1.00 0.00 C ATOM 1377 C ALA A 89 0.781 -7.306 -6.755 1.00 0.00 C ATOM 1378 O ALA A 89 1.176 -8.346 -6.314 1.00 0.00 O ATOM 1379 CB ALA A 89 0.112 -6.589 -4.409 1.00 0.00 C ATOM 0 H ALA A 89 -1.741 -7.668 -6.075 1.00 0.00 H new ATOM 0 HA ALA A 89 0.162 -5.386 -6.228 1.00 0.00 H new ATOM 0 HB1 ALA A 89 1.154 -6.386 -4.160 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -0.532 -5.897 -3.866 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -0.136 -7.612 -4.127 1.00 0.00 H new ATOM 1385 N VAL A 90 1.045 -6.819 -7.953 1.00 0.00 N ATOM 1386 CA VAL A 90 1.883 -7.643 -8.766 1.00 0.00 C ATOM 1387 C VAL A 90 3.311 -7.298 -8.349 1.00 0.00 C ATOM 1388 O VAL A 90 3.749 -6.185 -8.703 1.00 0.00 O ATOM 1389 CB VAL A 90 1.714 -7.278 -10.248 1.00 0.00 C ATOM 1390 CG1 VAL A 90 2.973 -7.721 -10.997 1.00 0.00 C ATOM 1391 CG2 VAL A 90 0.565 -7.988 -10.930 1.00 0.00 C ATOM 0 H VAL A 90 0.721 -5.937 -8.349 1.00 0.00 H new ATOM 0 HA VAL A 90 1.641 -8.698 -8.641 1.00 0.00 H new ATOM 0 HB VAL A 90 1.527 -6.204 -10.275 1.00 0.00 H new ATOM 0 HG11 VAL A 90 2.875 -7.471 -12.053 1.00 0.00 H new ATOM 0 HG12 VAL A 90 3.842 -7.210 -10.583 1.00 0.00 H new ATOM 0 HG13 VAL A 90 3.100 -8.798 -10.889 1.00 0.00 H new ATOM 0 HG21 VAL A 90 0.513 -7.676 -11.973 1.00 0.00 H new ATOM 0 HG22 VAL A 90 0.722 -9.065 -10.880 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -0.369 -7.734 -10.428 1.00 0.00 H new ATOM 1401 N ARG A 91 3.995 -8.212 -7.629 1.00 0.00 N ATOM 1402 CA ARG A 91 5.316 -7.735 -7.306 1.00 0.00 C ATOM 1403 C ARG A 91 6.259 -8.759 -6.744 1.00 0.00 C ATOM 1404 O ARG A 91 5.823 -9.790 -6.330 1.00 0.00 O ATOM 1405 CB ARG A 91 5.204 -6.629 -6.239 1.00 0.00 C ATOM 1406 CG ARG A 91 6.477 -5.897 -5.891 1.00 0.00 C ATOM 1407 CD ARG A 91 7.262 -5.152 -6.964 1.00 0.00 C ATOM 1408 NE ARG A 91 6.572 -5.189 -8.253 1.00 0.00 N ATOM 1409 CZ ARG A 91 7.280 -5.147 -9.370 1.00 0.00 C ATOM 1410 NH1 ARG A 91 8.606 -5.054 -9.433 1.00 0.00 N ATOM 1411 NH2 ARG A 91 6.641 -5.195 -10.542 1.00 0.00 N ATOM 0 H ARG A 91 3.703 -9.136 -7.311 1.00 0.00 H new ATOM 0 HA ARG A 91 5.725 -7.401 -8.260 1.00 0.00 H new ATOM 0 HB2 ARG A 91 4.473 -5.897 -6.582 1.00 0.00 H new ATOM 0 HB3 ARG A 91 4.806 -7.074 -5.327 1.00 0.00 H new ATOM 0 HG2 ARG A 91 6.229 -5.174 -5.114 1.00 0.00 H new ATOM 0 HG3 ARG A 91 7.154 -6.625 -5.445 1.00 0.00 H new ATOM 0 HD2 ARG A 91 7.408 -4.116 -6.657 1.00 0.00 H new ATOM 0 HD3 ARG A 91 8.252 -5.596 -7.067 1.00 0.00 H new ATOM 0 HE ARG A 91 5.554 -5.247 -8.291 1.00 0.00 H new ATOM 0 HH11 ARG A 91 9.155 -5.009 -8.575 1.00 0.00 H new ATOM 0 HH12 ARG A 91 9.073 -5.028 -10.339 1.00 0.00 H new ATOM 0 HH21 ARG A 91 5.624 -5.263 -10.566 1.00 0.00 H new ATOM 0 HH22 ARG A 91 7.171 -5.164 -11.413 1.00 0.00 H new ATOM 1425 N GLU A 92 7.538 -8.345 -6.785 1.00 0.00 N ATOM 1426 CA GLU A 92 8.566 -9.198 -6.283 1.00 0.00 C ATOM 1427 C GLU A 92 9.680 -8.213 -5.811 1.00 0.00 C ATOM 1428 O GLU A 92 9.800 -7.226 -6.533 1.00 0.00 O ATOM 1429 CB GLU A 92 9.081 -10.033 -7.434 1.00 0.00 C ATOM 1430 CG GLU A 92 8.919 -9.458 -8.865 1.00 0.00 C ATOM 1431 CD GLU A 92 9.751 -10.367 -9.754 1.00 0.00 C ATOM 1432 OE1 GLU A 92 10.335 -11.355 -9.303 1.00 0.00 O ATOM 1433 OE2 GLU A 92 9.811 -10.061 -10.949 1.00 0.00 O ATOM 0 H GLU A 92 7.853 -7.448 -7.154 1.00 0.00 H new ATOM 0 HA GLU A 92 8.237 -9.864 -5.486 1.00 0.00 H new ATOM 0 HB2 GLU A 92 10.141 -10.221 -7.265 1.00 0.00 H new ATOM 0 HB3 GLU A 92 8.577 -10.999 -7.401 1.00 0.00 H new ATOM 0 HG2 GLU A 92 7.873 -9.455 -9.173 1.00 0.00 H new ATOM 0 HG3 GLU A 92 9.269 -8.427 -8.918 1.00 0.00 H new ATOM 1440 N ILE A 93 10.312 -8.620 -4.707 1.00 0.00 N ATOM 1441 CA ILE A 93 11.371 -7.830 -4.131 1.00 0.00 C ATOM 1442 C ILE A 93 12.487 -7.624 -5.151 1.00 0.00 C ATOM 1443 O ILE A 93 13.496 -8.318 -5.146 1.00 0.00 O ATOM 1444 CB ILE A 93 11.934 -8.356 -2.809 1.00 0.00 C ATOM 1445 CG1 ILE A 93 10.953 -9.310 -2.117 1.00 0.00 C ATOM 1446 CG2 ILE A 93 12.165 -7.249 -1.787 1.00 0.00 C ATOM 1447 CD1 ILE A 93 9.513 -8.797 -2.036 1.00 0.00 C ATOM 0 H ILE A 93 10.102 -9.485 -4.208 1.00 0.00 H new ATOM 0 HA ILE A 93 10.911 -6.876 -3.874 1.00 0.00 H new ATOM 0 HB ILE A 93 12.867 -8.844 -3.090 1.00 0.00 H new ATOM 0 HG12 ILE A 93 10.956 -10.261 -2.649 1.00 0.00 H new ATOM 0 HG13 ILE A 93 11.311 -9.508 -1.107 1.00 0.00 H new ATOM 0 HG21 ILE A 93 12.565 -7.679 -0.869 1.00 0.00 H new ATOM 0 HG22 ILE A 93 12.875 -6.526 -2.188 1.00 0.00 H new ATOM 0 HG23 ILE A 93 11.220 -6.749 -1.572 1.00 0.00 H new ATOM 0 HD11 ILE A 93 8.891 -9.537 -1.532 1.00 0.00 H new ATOM 0 HD12 ILE A 93 9.491 -7.862 -1.476 1.00 0.00 H new ATOM 0 HD13 ILE A 93 9.130 -8.627 -3.042 1.00 0.00 H new ATOM 1459 N SER A 94 12.236 -6.634 -6.008 1.00 0.00 N ATOM 1460 CA SER A 94 13.182 -6.308 -7.039 1.00 0.00 C ATOM 1461 C SER A 94 14.629 -6.145 -6.623 1.00 0.00 C ATOM 1462 O SER A 94 15.521 -6.995 -6.828 1.00 0.00 O ATOM 1463 CB SER A 94 12.708 -5.042 -7.807 1.00 0.00 C ATOM 1464 OG SER A 94 12.693 -5.195 -9.187 1.00 0.00 O ATOM 0 H SER A 94 11.393 -6.059 -5.998 1.00 0.00 H new ATOM 0 HA SER A 94 13.192 -7.194 -7.674 1.00 0.00 H new ATOM 0 HB2 SER A 94 11.706 -4.778 -7.469 1.00 0.00 H new ATOM 0 HB3 SER A 94 13.361 -4.208 -7.551 1.00 0.00 H new ATOM 0 HG SER A 94 12.384 -4.364 -9.605 1.00 0.00 H new ATOM 1470 N GLY A 95 14.927 -5.012 -6.007 1.00 0.00 N ATOM 1471 CA GLY A 95 16.325 -4.819 -5.597 1.00 0.00 C ATOM 1472 C GLY A 95 16.423 -5.509 -4.213 1.00 0.00 C ATOM 1473 O GLY A 95 16.286 -6.715 -4.042 1.00 0.00 O ATOM 0 H GLY A 95 14.279 -4.256 -5.788 1.00 0.00 H new ATOM 0 HA2 GLY A 95 17.014 -5.267 -6.313 1.00 0.00 H new ATOM 0 HA3 GLY A 95 16.577 -3.761 -5.531 1.00 0.00 H new ATOM 1477 N ASN A 96 16.675 -4.594 -3.270 1.00 0.00 N ATOM 1478 CA ASN A 96 16.818 -4.933 -1.868 1.00 0.00 C ATOM 1479 C ASN A 96 15.654 -4.304 -1.082 1.00 0.00 C ATOM 1480 O ASN A 96 15.743 -4.044 0.129 1.00 0.00 O ATOM 1481 CB ASN A 96 18.123 -4.307 -1.413 1.00 0.00 C ATOM 1482 CG ASN A 96 19.242 -5.315 -1.752 1.00 0.00 C ATOM 1483 OD1 ASN A 96 19.109 -6.258 -2.491 1.00 0.00 O ATOM 1484 ND2 ASN A 96 20.380 -4.958 -1.085 1.00 0.00 N ATOM 0 H ASN A 96 16.784 -3.599 -3.468 1.00 0.00 H new ATOM 0 HA ASN A 96 16.813 -6.011 -1.708 1.00 0.00 H new ATOM 0 HB2 ASN A 96 18.293 -3.356 -1.918 1.00 0.00 H new ATOM 0 HB3 ASN A 96 18.100 -4.100 -0.343 1.00 0.00 H new ATOM 0 HD21 ASN A 96 21.229 -5.514 -1.191 1.00 0.00 H new ATOM 0 HD22 ASN A 96 20.381 -4.136 -0.482 1.00 0.00 H new ATOM 1491 N GLU A 97 14.599 -4.102 -1.872 1.00 0.00 N ATOM 1492 CA GLU A 97 13.380 -3.521 -1.362 1.00 0.00 C ATOM 1493 C GLU A 97 12.250 -3.902 -2.360 1.00 0.00 C ATOM 1494 O GLU A 97 12.582 -4.323 -3.438 1.00 0.00 O ATOM 1495 CB GLU A 97 13.391 -2.033 -1.108 1.00 0.00 C ATOM 1496 CG GLU A 97 14.519 -1.302 -1.844 1.00 0.00 C ATOM 1497 CD GLU A 97 14.624 -1.727 -3.297 1.00 0.00 C ATOM 1498 OE1 GLU A 97 13.600 -1.661 -3.974 1.00 0.00 O ATOM 1499 OE2 GLU A 97 15.702 -2.118 -3.747 1.00 0.00 O ATOM 0 H GLU A 97 14.575 -4.335 -2.865 1.00 0.00 H new ATOM 0 HA GLU A 97 13.229 -3.930 -0.363 1.00 0.00 H new ATOM 0 HB2 GLU A 97 12.434 -1.612 -1.415 1.00 0.00 H new ATOM 0 HB3 GLU A 97 13.490 -1.855 -0.037 1.00 0.00 H new ATOM 0 HG2 GLU A 97 14.347 -0.227 -1.793 1.00 0.00 H new ATOM 0 HG3 GLU A 97 15.466 -1.498 -1.341 1.00 0.00 H new ATOM 1506 N LEU A 98 11.036 -3.701 -1.854 1.00 0.00 N ATOM 1507 CA LEU A 98 9.788 -3.962 -2.539 1.00 0.00 C ATOM 1508 C LEU A 98 9.090 -2.640 -2.868 1.00 0.00 C ATOM 1509 O LEU A 98 8.766 -1.815 -2.030 1.00 0.00 O ATOM 1510 CB LEU A 98 9.037 -4.843 -1.516 1.00 0.00 C ATOM 1511 CG LEU A 98 7.804 -5.571 -2.031 1.00 0.00 C ATOM 1512 CD1 LEU A 98 7.237 -6.559 -1.026 1.00 0.00 C ATOM 1513 CD2 LEU A 98 6.729 -4.476 -2.243 1.00 0.00 C ATOM 0 H LEU A 98 10.897 -3.335 -0.912 1.00 0.00 H new ATOM 0 HA LEU A 98 9.872 -4.459 -3.505 1.00 0.00 H new ATOM 0 HB2 LEU A 98 9.734 -5.584 -1.126 1.00 0.00 H new ATOM 0 HB3 LEU A 98 8.738 -4.214 -0.677 1.00 0.00 H new ATOM 0 HG LEU A 98 8.071 -6.128 -2.929 1.00 0.00 H new ATOM 0 HD11 LEU A 98 6.359 -7.047 -1.451 1.00 0.00 H new ATOM 0 HD12 LEU A 98 7.991 -7.310 -0.789 1.00 0.00 H new ATOM 0 HD13 LEU A 98 6.954 -6.030 -0.116 1.00 0.00 H new ATOM 0 HD21 LEU A 98 5.812 -4.933 -2.615 1.00 0.00 H new ATOM 0 HD22 LEU A 98 6.527 -3.976 -1.296 1.00 0.00 H new ATOM 0 HD23 LEU A 98 7.090 -3.747 -2.968 1.00 0.00 H new ATOM 1525 N ILE A 99 8.904 -2.547 -4.218 1.00 0.00 N ATOM 1526 CA ILE A 99 8.287 -1.419 -4.797 1.00 0.00 C ATOM 1527 C ILE A 99 6.771 -1.463 -4.425 1.00 0.00 C ATOM 1528 O ILE A 99 6.370 -0.479 -3.868 1.00 0.00 O ATOM 1529 CB ILE A 99 8.426 -1.581 -6.323 1.00 0.00 C ATOM 1530 CG1 ILE A 99 9.710 -0.785 -6.664 1.00 0.00 C ATOM 1531 CG2 ILE A 99 7.259 -0.794 -6.916 1.00 0.00 C ATOM 1532 CD1 ILE A 99 10.246 -0.972 -8.072 1.00 0.00 C ATOM 0 H ILE A 99 9.189 -3.264 -4.885 1.00 0.00 H new ATOM 0 HA ILE A 99 8.731 -0.484 -4.455 1.00 0.00 H new ATOM 0 HB ILE A 99 8.449 -2.614 -6.671 1.00 0.00 H new ATOM 0 HG12 ILE A 99 9.510 0.275 -6.509 1.00 0.00 H new ATOM 0 HG13 ILE A 99 10.490 -1.069 -5.957 1.00 0.00 H new ATOM 0 HG21 ILE A 99 7.290 -0.862 -8.003 1.00 0.00 H new ATOM 0 HG22 ILE A 99 6.319 -1.209 -6.553 1.00 0.00 H new ATOM 0 HG23 ILE A 99 7.335 0.251 -6.615 1.00 0.00 H new ATOM 0 HD11 ILE A 99 11.145 -0.370 -8.202 1.00 0.00 H new ATOM 0 HD12 ILE A 99 10.487 -2.023 -8.233 1.00 0.00 H new ATOM 0 HD13 ILE A 99 9.492 -0.658 -8.793 1.00 0.00 H new ATOM 1544 N GLN A 100 6.171 -2.593 -4.787 1.00 0.00 N ATOM 1545 CA GLN A 100 4.767 -2.908 -4.570 1.00 0.00 C ATOM 1546 C GLN A 100 4.027 -2.035 -5.599 1.00 0.00 C ATOM 1547 O GLN A 100 3.902 -0.832 -5.436 1.00 0.00 O ATOM 1548 CB GLN A 100 4.328 -2.605 -3.167 1.00 0.00 C ATOM 1549 CG GLN A 100 3.419 -3.601 -2.448 1.00 0.00 C ATOM 1550 CD GLN A 100 2.536 -4.295 -3.524 1.00 0.00 C ATOM 1551 OE1 GLN A 100 1.536 -3.735 -3.937 1.00 0.00 O ATOM 1552 NE2 GLN A 100 3.050 -5.504 -3.855 1.00 0.00 N ATOM 0 H GLN A 100 6.673 -3.345 -5.259 1.00 0.00 H new ATOM 0 HA GLN A 100 4.560 -3.971 -4.696 1.00 0.00 H new ATOM 0 HB2 GLN A 100 5.225 -2.480 -2.560 1.00 0.00 H new ATOM 0 HB3 GLN A 100 3.816 -1.643 -3.182 1.00 0.00 H new ATOM 0 HG2 GLN A 100 4.012 -4.338 -1.906 1.00 0.00 H new ATOM 0 HG3 GLN A 100 2.797 -3.090 -1.714 1.00 0.00 H new ATOM 0 HE21 GLN A 100 3.908 -5.832 -3.411 1.00 0.00 H new ATOM 0 HE22 GLN A 100 2.579 -6.086 -4.548 1.00 0.00 H new ATOM 1561 N THR A 101 3.619 -2.862 -6.570 1.00 0.00 N ATOM 1562 CA THR A 101 2.885 -2.425 -7.709 1.00 0.00 C ATOM 1563 C THR A 101 1.446 -2.875 -7.695 1.00 0.00 C ATOM 1564 O THR A 101 1.051 -3.923 -8.149 1.00 0.00 O ATOM 1565 CB THR A 101 3.538 -2.880 -9.015 1.00 0.00 C ATOM 1566 OG1 THR A 101 4.873 -3.269 -8.926 1.00 0.00 O ATOM 1567 CG2 THR A 101 3.373 -1.826 -10.135 1.00 0.00 C ATOM 0 H THR A 101 3.805 -3.865 -6.563 1.00 0.00 H new ATOM 0 HA THR A 101 2.899 -1.336 -7.655 1.00 0.00 H new ATOM 0 HB THR A 101 2.988 -3.787 -9.266 1.00 0.00 H new ATOM 0 HG1 THR A 101 5.325 -3.084 -9.776 1.00 0.00 H new ATOM 0 HG21 THR A 101 3.850 -2.186 -11.047 1.00 0.00 H new ATOM 0 HG22 THR A 101 2.313 -1.657 -10.323 1.00 0.00 H new ATOM 0 HG23 THR A 101 3.840 -0.891 -9.826 1.00 0.00 H new ATOM 1575 N TYR A 102 0.691 -1.935 -7.093 1.00 0.00 N ATOM 1576 CA TYR A 102 -0.718 -2.383 -7.066 1.00 0.00 C ATOM 1577 C TYR A 102 -1.204 -2.306 -8.515 1.00 0.00 C ATOM 1578 O TYR A 102 -1.102 -1.264 -9.132 1.00 0.00 O ATOM 1579 CB TYR A 102 -1.602 -1.523 -6.181 1.00 0.00 C ATOM 1580 CG TYR A 102 -1.135 -1.361 -4.790 1.00 0.00 C ATOM 1581 CD1 TYR A 102 -1.010 -2.327 -3.817 1.00 0.00 C ATOM 1582 CD2 TYR A 102 -0.757 -0.097 -4.335 1.00 0.00 C ATOM 1583 CE1 TYR A 102 -0.555 -2.028 -2.560 1.00 0.00 C ATOM 1584 CE2 TYR A 102 -0.305 0.192 -3.084 1.00 0.00 C ATOM 1585 CZ TYR A 102 -0.211 -0.701 -2.254 1.00 0.00 C ATOM 1586 OH TYR A 102 0.246 -0.371 -0.999 1.00 0.00 O ATOM 0 H TYR A 102 0.953 -1.035 -6.691 1.00 0.00 H new ATOM 0 HA TYR A 102 -0.776 -3.388 -6.648 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -1.691 -0.536 -6.634 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -2.602 -1.957 -6.163 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -1.278 -3.347 -4.051 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -0.829 0.722 -5.035 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -0.462 -2.803 -1.814 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -0.031 1.204 -2.826 1.00 0.00 H new ATOM 0 HH TYR A 102 -0.113 -1.004 -0.343 1.00 0.00 H new ATOM 1596 N THR A 103 -1.726 -3.456 -8.988 1.00 0.00 N ATOM 1597 CA THR A 103 -2.250 -3.580 -10.365 1.00 0.00 C ATOM 1598 C THR A 103 -3.752 -3.368 -10.262 1.00 0.00 C ATOM 1599 O THR A 103 -4.628 -4.179 -10.442 1.00 0.00 O ATOM 1600 CB THR A 103 -1.772 -4.855 -11.043 1.00 0.00 C ATOM 1601 OG1 THR A 103 -0.428 -4.755 -11.506 1.00 0.00 O ATOM 1602 CG2 THR A 103 -2.485 -5.332 -12.315 1.00 0.00 C ATOM 0 H THR A 103 -1.796 -4.312 -8.438 1.00 0.00 H new ATOM 0 HA THR A 103 -1.858 -2.824 -11.045 1.00 0.00 H new ATOM 0 HB THR A 103 -1.962 -5.547 -10.223 1.00 0.00 H new ATOM 0 HG1 THR A 103 -0.165 -5.597 -11.932 1.00 0.00 H new ATOM 0 HG21 THR A 103 -2.021 -6.253 -12.669 1.00 0.00 H new ATOM 0 HG22 THR A 103 -3.536 -5.517 -12.095 1.00 0.00 H new ATOM 0 HG23 THR A 103 -2.405 -4.566 -13.086 1.00 0.00 H new ATOM 1610 N TYR A 104 -4.014 -2.072 -9.919 1.00 0.00 N ATOM 1611 CA TYR A 104 -5.401 -1.637 -9.765 1.00 0.00 C ATOM 1612 C TYR A 104 -6.131 -1.703 -11.068 1.00 0.00 C ATOM 1613 O TYR A 104 -5.581 -1.675 -12.169 1.00 0.00 O ATOM 1614 CB TYR A 104 -5.267 -0.243 -9.108 1.00 0.00 C ATOM 1615 CG TYR A 104 -6.547 0.467 -8.935 1.00 0.00 C ATOM 1616 CD1 TYR A 104 -7.282 0.856 -10.042 1.00 0.00 C ATOM 1617 CD2 TYR A 104 -7.125 0.805 -7.725 1.00 0.00 C ATOM 1618 CE1 TYR A 104 -8.495 1.527 -9.942 1.00 0.00 C ATOM 1619 CE2 TYR A 104 -8.332 1.476 -7.706 1.00 0.00 C ATOM 1620 CZ TYR A 104 -8.983 1.816 -8.872 1.00 0.00 C ATOM 1621 OH TYR A 104 -10.175 2.474 -8.917 1.00 0.00 O ATOM 0 H TYR A 104 -3.308 -1.354 -9.755 1.00 0.00 H new ATOM 0 HA TYR A 104 -6.024 -2.274 -9.137 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -4.793 -0.357 -8.133 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -4.603 0.371 -9.716 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -6.896 0.628 -11.025 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -6.634 0.545 -6.799 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -9.019 1.799 -10.847 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -8.775 1.740 -6.757 1.00 0.00 H new ATOM 0 HH TYR A 104 -10.759 2.143 -8.203 1.00 0.00 H new ATOM 1631 N GLU A 105 -7.442 -1.804 -10.918 1.00 0.00 N ATOM 1632 CA GLU A 105 -8.327 -1.882 -12.069 1.00 0.00 C ATOM 1633 C GLU A 105 -8.080 -0.856 -13.159 1.00 0.00 C ATOM 1634 O GLU A 105 -8.425 0.314 -13.021 1.00 0.00 O ATOM 1635 CB GLU A 105 -9.743 -1.736 -11.497 1.00 0.00 C ATOM 1636 CG GLU A 105 -10.697 -2.276 -12.591 1.00 0.00 C ATOM 1637 CD GLU A 105 -10.724 -3.787 -12.667 1.00 0.00 C ATOM 1638 OE1 GLU A 105 -11.534 -4.337 -11.897 1.00 0.00 O ATOM 1639 OE2 GLU A 105 -9.969 -4.343 -13.464 1.00 0.00 O ATOM 0 H GLU A 105 -7.915 -1.834 -10.015 1.00 0.00 H new ATOM 0 HA GLU A 105 -8.153 -2.829 -12.581 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -9.851 -2.300 -10.571 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -9.965 -0.695 -11.264 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -11.705 -1.911 -12.397 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -10.393 -1.876 -13.558 1.00 0.00 H new ATOM 1646 N GLY A 106 -7.465 -1.359 -14.247 1.00 0.00 N ATOM 1647 CA GLY A 106 -7.184 -0.455 -15.342 1.00 0.00 C ATOM 1648 C GLY A 106 -5.886 0.304 -15.281 1.00 0.00 C ATOM 1649 O GLY A 106 -5.591 1.115 -16.162 1.00 0.00 O ATOM 0 H GLY A 106 -7.174 -2.328 -14.376 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -7.198 -1.029 -16.268 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -7.997 0.268 -15.403 1.00 0.00 H new ATOM 1653 N VAL A 107 -5.078 0.055 -14.238 1.00 0.00 N ATOM 1654 CA VAL A 107 -3.802 0.718 -14.065 1.00 0.00 C ATOM 1655 C VAL A 107 -2.687 -0.209 -13.629 1.00 0.00 C ATOM 1656 O VAL A 107 -2.922 -1.352 -13.258 1.00 0.00 O ATOM 1657 CB VAL A 107 -4.052 1.686 -12.887 1.00 0.00 C ATOM 1658 CG1 VAL A 107 -3.079 2.833 -12.793 1.00 0.00 C ATOM 1659 CG2 VAL A 107 -5.425 2.355 -13.004 1.00 0.00 C ATOM 0 H VAL A 107 -5.302 -0.612 -13.500 1.00 0.00 H new ATOM 0 HA VAL A 107 -3.492 1.167 -15.008 1.00 0.00 H new ATOM 0 HB VAL A 107 -3.952 1.043 -12.013 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -3.334 3.457 -11.937 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -2.068 2.444 -12.670 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -3.130 3.429 -13.704 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -5.574 3.031 -12.162 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -5.477 2.919 -13.935 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -6.203 1.592 -12.999 1.00 0.00 H new ATOM 1669 N GLU A 108 -1.444 0.338 -13.684 1.00 0.00 N ATOM 1670 CA GLU A 108 -0.314 -0.492 -13.273 1.00 0.00 C ATOM 1671 C GLU A 108 0.604 0.532 -12.564 1.00 0.00 C ATOM 1672 O GLU A 108 1.741 0.677 -12.982 1.00 0.00 O ATOM 1673 CB GLU A 108 0.415 -1.152 -14.417 1.00 0.00 C ATOM 1674 CG GLU A 108 1.359 -2.262 -13.887 1.00 0.00 C ATOM 1675 CD GLU A 108 2.600 -2.380 -14.724 1.00 0.00 C ATOM 1676 OE1 GLU A 108 3.548 -1.623 -14.522 1.00 0.00 O ATOM 1677 OE2 GLU A 108 2.634 -3.240 -15.604 1.00 0.00 O ATOM 0 H GLU A 108 -1.220 1.285 -13.989 1.00 0.00 H new ATOM 0 HA GLU A 108 -0.635 -1.332 -12.657 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -0.304 -1.580 -15.116 1.00 0.00 H new ATOM 0 HB3 GLU A 108 0.991 -0.408 -14.967 1.00 0.00 H new ATOM 0 HG2 GLU A 108 1.635 -2.043 -12.855 1.00 0.00 H new ATOM 0 HG3 GLU A 108 0.832 -3.216 -13.881 1.00 0.00 H new ATOM 1684 N ALA A 109 0.023 1.182 -11.510 1.00 0.00 N ATOM 1685 CA ALA A 109 0.865 2.122 -10.856 1.00 0.00 C ATOM 1686 C ALA A 109 1.498 1.517 -9.581 1.00 0.00 C ATOM 1687 O ALA A 109 0.884 0.643 -9.035 1.00 0.00 O ATOM 1688 CB ALA A 109 -0.097 3.143 -10.212 1.00 0.00 C ATOM 0 H ALA A 109 -0.926 1.066 -11.154 1.00 0.00 H new ATOM 0 HA ALA A 109 1.604 2.480 -11.572 1.00 0.00 H new ATOM 0 HB1 ALA A 109 0.479 3.904 -9.686 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -0.699 3.615 -10.988 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -0.751 2.631 -9.506 1.00 0.00 H new ATOM 1694 N LYS A 110 2.665 2.123 -9.340 1.00 0.00 N ATOM 1695 CA LYS A 110 3.330 1.613 -8.164 1.00 0.00 C ATOM 1696 C LYS A 110 3.271 2.699 -7.103 1.00 0.00 C ATOM 1697 O LYS A 110 2.491 3.654 -7.171 1.00 0.00 O ATOM 1698 CB LYS A 110 4.816 1.386 -8.455 1.00 0.00 C ATOM 1699 CG LYS A 110 4.940 1.227 -9.972 1.00 0.00 C ATOM 1700 CD LYS A 110 6.228 0.521 -10.473 1.00 0.00 C ATOM 1701 CE LYS A 110 6.850 1.171 -11.684 1.00 0.00 C ATOM 1702 NZ LYS A 110 5.843 1.533 -12.710 1.00 0.00 N ATOM 0 H LYS A 110 3.114 2.869 -9.870 1.00 0.00 H new ATOM 0 HA LYS A 110 2.853 0.683 -7.854 1.00 0.00 H new ATOM 0 HB2 LYS A 110 5.414 2.227 -8.103 1.00 0.00 H new ATOM 0 HB3 LYS A 110 5.181 0.497 -7.940 1.00 0.00 H new ATOM 0 HG2 LYS A 110 4.077 0.666 -10.331 1.00 0.00 H new ATOM 0 HG3 LYS A 110 4.889 2.216 -10.428 1.00 0.00 H new ATOM 0 HD2 LYS A 110 6.960 0.505 -9.665 1.00 0.00 H new ATOM 0 HD3 LYS A 110 5.993 -0.517 -10.710 1.00 0.00 H new ATOM 0 HE2 LYS A 110 7.389 2.067 -11.376 1.00 0.00 H new ATOM 0 HE3 LYS A 110 7.583 0.493 -12.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 6.290 1.537 -13.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 5.070 0.838 -12.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 5.462 2.478 -12.504 1.00 0.00 H new ATOM 1716 N ARG A 111 4.158 2.456 -6.137 1.00 0.00 N ATOM 1717 CA ARG A 111 4.240 3.397 -5.033 1.00 0.00 C ATOM 1718 C ARG A 111 5.749 3.614 -4.776 1.00 0.00 C ATOM 1719 O ARG A 111 6.222 4.717 -4.837 1.00 0.00 O ATOM 1720 CB ARG A 111 3.581 2.807 -3.804 1.00 0.00 C ATOM 1721 CG ARG A 111 3.070 3.881 -2.847 1.00 0.00 C ATOM 1722 CD ARG A 111 1.558 4.127 -2.995 1.00 0.00 C ATOM 1723 NE ARG A 111 1.441 4.922 -4.195 1.00 0.00 N ATOM 1724 CZ ARG A 111 0.893 6.127 -4.268 1.00 0.00 C ATOM 1725 NH1 ARG A 111 0.380 6.744 -3.207 1.00 0.00 N ATOM 1726 NH2 ARG A 111 0.840 6.770 -5.444 1.00 0.00 N ATOM 0 H ARG A 111 4.795 1.660 -6.098 1.00 0.00 H new ATOM 0 HA ARG A 111 3.734 4.335 -5.261 1.00 0.00 H new ATOM 0 HB2 ARG A 111 2.750 2.171 -4.110 1.00 0.00 H new ATOM 0 HB3 ARG A 111 4.295 2.169 -3.283 1.00 0.00 H new ATOM 0 HG2 ARG A 111 3.288 3.584 -1.821 1.00 0.00 H new ATOM 0 HG3 ARG A 111 3.607 4.812 -3.030 1.00 0.00 H new ATOM 0 HD2 ARG A 111 1.009 3.189 -3.084 1.00 0.00 H new ATOM 0 HD3 ARG A 111 1.154 4.652 -2.129 1.00 0.00 H new ATOM 0 HE ARG A 111 1.811 4.523 -5.058 1.00 0.00 H new ATOM 0 HH11 ARG A 111 0.399 6.290 -2.294 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -0.033 7.671 -3.306 1.00 0.00 H new ATOM 0 HH21 ARG A 111 1.221 6.332 -6.282 1.00 0.00 H new ATOM 0 HH22 ARG A 111 0.418 7.697 -5.500 1.00 0.00 H new ATOM 1740 N ILE A 112 6.352 2.438 -4.508 1.00 0.00 N ATOM 1741 CA ILE A 112 7.774 2.480 -4.241 1.00 0.00 C ATOM 1742 C ILE A 112 8.025 2.757 -2.740 1.00 0.00 C ATOM 1743 O ILE A 112 7.685 3.812 -2.256 1.00 0.00 O ATOM 1744 CB ILE A 112 8.612 3.325 -5.189 1.00 0.00 C ATOM 1745 CG1 ILE A 112 8.307 3.017 -6.664 1.00 0.00 C ATOM 1746 CG2 ILE A 112 10.086 2.959 -5.101 1.00 0.00 C ATOM 1747 CD1 ILE A 112 8.296 4.277 -7.545 1.00 0.00 C ATOM 0 H ILE A 112 5.906 1.521 -4.475 1.00 0.00 H new ATOM 0 HA ILE A 112 8.154 1.485 -4.471 1.00 0.00 H new ATOM 0 HB ILE A 112 8.386 4.352 -4.902 1.00 0.00 H new ATOM 0 HG12 ILE A 112 9.051 2.318 -7.046 1.00 0.00 H new ATOM 0 HG13 ILE A 112 7.339 2.521 -6.734 1.00 0.00 H new ATOM 0 HG21 ILE A 112 10.657 3.581 -5.791 1.00 0.00 H new ATOM 0 HG22 ILE A 112 10.442 3.124 -4.084 1.00 0.00 H new ATOM 0 HG23 ILE A 112 10.217 1.910 -5.365 1.00 0.00 H new ATOM 0 HD11 ILE A 112 8.075 3.999 -8.575 1.00 0.00 H new ATOM 0 HD12 ILE A 112 7.533 4.967 -7.184 1.00 0.00 H new ATOM 0 HD13 ILE A 112 9.272 4.760 -7.501 1.00 0.00 H new ATOM 1759 N PHE A 113 8.624 1.713 -2.180 1.00 0.00 N ATOM 1760 CA PHE A 113 8.968 1.717 -0.805 1.00 0.00 C ATOM 1761 C PHE A 113 10.317 0.994 -0.673 1.00 0.00 C ATOM 1762 O PHE A 113 10.781 0.579 -1.726 1.00 0.00 O ATOM 1763 CB PHE A 113 7.970 0.914 0.046 1.00 0.00 C ATOM 1764 CG PHE A 113 6.704 1.654 0.250 1.00 0.00 C ATOM 1765 CD1 PHE A 113 6.687 3.042 0.397 1.00 0.00 C ATOM 1766 CD2 PHE A 113 5.463 1.043 0.305 1.00 0.00 C ATOM 1767 CE1 PHE A 113 5.469 3.694 0.580 1.00 0.00 C ATOM 1768 CE2 PHE A 113 4.330 1.817 0.492 1.00 0.00 C ATOM 1769 CZ PHE A 113 4.280 3.016 0.620 1.00 0.00 C ATOM 0 H PHE A 113 8.873 0.859 -2.679 1.00 0.00 H new ATOM 0 HA PHE A 113 8.982 2.751 -0.461 1.00 0.00 H new ATOM 0 HB2 PHE A 113 7.760 -0.038 -0.441 1.00 0.00 H new ATOM 0 HB3 PHE A 113 8.418 0.686 1.013 1.00 0.00 H new ATOM 0 HD1 PHE A 113 7.608 3.605 0.369 1.00 0.00 H new ATOM 0 HD2 PHE A 113 5.379 -0.029 0.203 1.00 0.00 H new ATOM 0 HE1 PHE A 113 5.463 4.768 0.694 1.00 0.00 H new ATOM 0 HE2 PHE A 113 3.388 1.290 0.527 1.00 0.00 H new ATOM 0 HZ PHE A 113 3.341 3.531 0.760 1.00 0.00 H new ATOM 1779 N LYS A 114 10.764 0.934 0.588 1.00 0.00 N ATOM 1780 CA LYS A 114 12.026 0.260 0.815 1.00 0.00 C ATOM 1781 C LYS A 114 12.089 -0.378 2.206 1.00 0.00 C ATOM 1782 O LYS A 114 11.154 -0.639 2.904 1.00 0.00 O ATOM 1783 CB LYS A 114 13.189 1.171 0.456 1.00 0.00 C ATOM 1784 CG LYS A 114 13.723 2.172 1.475 1.00 0.00 C ATOM 1785 CD LYS A 114 12.667 2.653 2.492 1.00 0.00 C ATOM 1786 CE LYS A 114 12.448 4.190 2.534 1.00 0.00 C ATOM 1787 NZ LYS A 114 11.327 4.679 1.767 1.00 0.00 N ATOM 0 H LYS A 114 10.300 1.319 1.411 1.00 0.00 H new ATOM 0 HA LYS A 114 12.111 -0.590 0.139 1.00 0.00 H new ATOM 0 HB2 LYS A 114 14.022 0.532 0.164 1.00 0.00 H new ATOM 0 HB3 LYS A 114 12.896 1.736 -0.429 1.00 0.00 H new ATOM 0 HG2 LYS A 114 14.553 1.717 2.016 1.00 0.00 H new ATOM 0 HG3 LYS A 114 14.123 3.036 0.945 1.00 0.00 H new ATOM 0 HD2 LYS A 114 11.717 2.172 2.261 1.00 0.00 H new ATOM 0 HD3 LYS A 114 12.962 2.316 3.486 1.00 0.00 H new ATOM 0 HE2 LYS A 114 12.315 4.492 3.573 1.00 0.00 H new ATOM 0 HE3 LYS A 114 13.353 4.678 2.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 11.267 5.713 1.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 11.456 4.429 0.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 10.449 4.248 2.122 1.00 0.00 H new ATOM 1801 N LYS A 115 13.342 -0.633 2.577 1.00 0.00 N ATOM 1802 CA LYS A 115 13.770 -1.225 3.802 1.00 0.00 C ATOM 1803 C LYS A 115 14.744 -0.349 4.561 1.00 0.00 C ATOM 1804 O LYS A 115 15.458 0.443 3.994 1.00 0.00 O ATOM 1805 CB LYS A 115 14.427 -2.568 3.407 1.00 0.00 C ATOM 1806 CG LYS A 115 14.095 -3.555 4.539 1.00 0.00 C ATOM 1807 CD LYS A 115 15.160 -4.674 4.561 1.00 0.00 C ATOM 1808 CE LYS A 115 14.660 -5.958 5.185 1.00 0.00 C ATOM 1809 NZ LYS A 115 15.684 -6.843 5.717 1.00 0.00 N ATOM 0 H LYS A 115 14.129 -0.407 1.969 1.00 0.00 H new ATOM 0 HA LYS A 115 12.925 -1.363 4.476 1.00 0.00 H new ATOM 0 HB2 LYS A 115 14.040 -2.925 2.453 1.00 0.00 H new ATOM 0 HB3 LYS A 115 15.505 -2.455 3.292 1.00 0.00 H new ATOM 0 HG2 LYS A 115 14.075 -3.036 5.497 1.00 0.00 H new ATOM 0 HG3 LYS A 115 13.104 -3.982 4.387 1.00 0.00 H new ATOM 0 HD2 LYS A 115 15.487 -4.876 3.541 1.00 0.00 H new ATOM 0 HD3 LYS A 115 16.033 -4.325 5.112 1.00 0.00 H new ATOM 0 HE2 LYS A 115 13.971 -5.704 5.991 1.00 0.00 H new ATOM 0 HE3 LYS A 115 14.087 -6.505 4.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 15.235 -7.690 6.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 16.331 -7.124 4.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 16.219 -6.348 6.459 1.00 0.00 H new ATOM 1823 N GLU A 116 14.644 -0.620 5.875 1.00 0.00 N ATOM 1824 CA GLU A 116 15.380 -0.024 6.932 1.00 0.00 C ATOM 1825 C GLU A 116 16.056 1.315 6.527 1.00 0.00 C ATOM 1826 O GLU A 116 17.262 1.418 6.620 1.00 0.00 O ATOM 1827 CB GLU A 116 16.524 -1.029 7.219 1.00 0.00 C ATOM 1828 CG GLU A 116 17.423 -1.399 6.050 1.00 0.00 C ATOM 1829 CD GLU A 116 17.970 -2.826 6.221 1.00 0.00 C ATOM 1830 OE1 GLU A 116 18.100 -3.265 7.360 1.00 0.00 O ATOM 1831 OE2 GLU A 116 18.257 -3.494 5.233 1.00 0.00 O ATOM 1832 OXT GLU A 116 15.384 2.246 6.128 1.00 0.00 O ATOM 0 H GLU A 116 13.987 -1.320 6.220 1.00 0.00 H new ATOM 0 HA GLU A 116 14.713 0.187 7.768 1.00 0.00 H new ATOM 0 HB2 GLU A 116 17.149 -0.615 8.010 1.00 0.00 H new ATOM 0 HB3 GLU A 116 16.081 -1.945 7.610 1.00 0.00 H new ATOM 0 HG2 GLU A 116 16.864 -1.327 5.117 1.00 0.00 H new ATOM 0 HG3 GLU A 116 18.250 -0.692 5.982 1.00 0.00 H new