USER MOD reduce.3.24.130724 H: found=0, std=0, add=401, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 396 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 52 SER OG : rot 129:sc= 0.993 USER MOD Set 1.2: A 54 SER OG : rot 40:sc= 0.916 USER MOD Set 1.3: A 57 ASN :FLIP amide:sc= -0.828! C(o=-2!,f=1.1!) USER MOD Set 2.1: A 39 SER OG : rot -4:sc= 2.1 USER MOD Set 2.2: A 56 THR OG1 : rot -80:sc= 0.869 USER MOD Set 3.1: A 18 ASN :FLIP amide:sc= -0.0286 F(o=-0.78,f=-0.07) USER MOD Set 3.2: A 34 HIS :FLIP no HD1:sc= -0.0413 X(o=-0.22,f=-0.07) USER MOD Single : A 1 LYS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 TYR OH : rot 8:sc= 0.45 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 CYS SG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ -175:sc= 0.663 (180deg=0.642) USER MOD Single : A 14 SER OG : rot 180:sc= -0.0368 USER MOD Single : A 19 ASN : amide:sc= -0.918 K(o=-0.92,f=-1.6) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= 0.337 K(o=0.34,f=-0.49) USER MOD Single : A 24 GLN : amide:sc= -0.517 K(o=-0.52,f=-2.6!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 MET CE :methyl -115:sc= 0 (180deg=-0.0665) USER MOD Single : A 28 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.0022) USER MOD Single : A 29 LYS NZ :NH3+ -121:sc= 0.416 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.872 K(o=-0.87,f=-2.5) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 0.000 0.000 0.000 1.00 10.00 N ATOM 2 CA LYS A 1 1.453 0.000 0.000 1.00 10.00 C ATOM 3 C LYS A 1 1.959 0.498 1.355 1.00 10.00 C ATOM 4 O LYS A 1 1.973 1.701 1.613 1.00 10.00 O ATOM 5 CB LYS A 1 1.989 0.801 -1.188 1.00 10.00 C ATOM 6 CG LYS A 1 3.447 0.442 -1.479 1.00 10.00 C ATOM 7 CD LYS A 1 3.539 -0.735 -2.452 1.00 10.00 C ATOM 8 CE LYS A 1 4.981 -0.953 -2.914 1.00 10.00 C ATOM 9 NZ LYS A 1 5.041 -2.017 -3.942 1.00 10.00 N ATOM 0 H1 LYS A 1 -0.347 -0.338 -0.920 1.00 10.00 H new ATOM 0 H2 LYS A 1 -0.347 -0.628 0.753 1.00 10.00 H new ATOM 0 H3 LYS A 1 -0.347 0.966 0.167 1.00 10.00 H new ATOM 0 HA LYS A 1 1.833 -1.013 -0.130 1.00 10.00 H new ATOM 0 HB2 LYS A 1 1.379 0.603 -2.069 1.00 10.00 H new ATOM 0 HB3 LYS A 1 1.908 1.868 -0.978 1.00 10.00 H new ATOM 0 HG2 LYS A 1 3.961 1.307 -1.899 1.00 10.00 H new ATOM 0 HG3 LYS A 1 3.956 0.190 -0.549 1.00 10.00 H new ATOM 0 HD2 LYS A 1 3.167 -1.639 -1.971 1.00 10.00 H new ATOM 0 HD3 LYS A 1 2.901 -0.548 -3.316 1.00 10.00 H new ATOM 0 HE2 LYS A 1 5.384 -0.025 -3.319 1.00 10.00 H new ATOM 0 HE3 LYS A 1 5.605 -1.226 -2.063 1.00 10.00 H new ATOM 0 HZ1 LYS A 1 6.027 -2.152 -4.245 1.00 10.00 H new ATOM 0 HZ2 LYS A 1 4.676 -2.906 -3.544 1.00 10.00 H new ATOM 0 HZ3 LYS A 1 4.462 -1.741 -4.761 1.00 10.00 H new ATOM 22 N ASP A 2 2.361 -0.452 2.186 1.00 10.00 N ATOM 23 CA ASP A 2 2.837 -0.128 3.520 1.00 10.00 C ATOM 24 C ASP A 2 3.886 -1.156 3.948 1.00 10.00 C ATOM 25 O ASP A 2 3.759 -2.341 3.641 1.00 10.00 O ATOM 26 CB ASP A 2 1.694 -0.167 4.537 1.00 10.00 C ATOM 27 CG ASP A 2 0.476 0.684 4.174 1.00 10.00 C ATOM 28 OD1 ASP A 2 0.338 1.829 4.630 1.00 10.00 O ATOM 29 OD2 ASP A 2 -0.366 0.119 3.376 1.00 10.00 O ATOM 0 H ASP A 2 2.367 -1.447 1.961 1.00 10.00 H new ATOM 0 HA ASP A 2 3.261 0.876 3.491 1.00 10.00 H new ATOM 0 HB2 ASP A 2 1.372 -1.201 4.660 1.00 10.00 H new ATOM 0 HB3 ASP A 2 2.075 0.165 5.503 1.00 10.00 H new ATOM 35 N GLY A 3 4.897 -0.667 4.649 1.00 10.00 N ATOM 36 CA GLY A 3 5.965 -1.530 5.126 1.00 10.00 C ATOM 37 C GLY A 3 7.265 -0.744 5.308 1.00 10.00 C ATOM 38 O GLY A 3 7.245 0.401 5.756 1.00 10.00 O ATOM 0 H GLY A 3 5.000 0.317 4.899 1.00 10.00 H new ATOM 0 HA2 GLY A 3 5.675 -1.984 6.073 1.00 10.00 H new ATOM 0 HA3 GLY A 3 6.124 -2.343 4.418 1.00 10.00 H new ATOM 42 N TYR A 4 8.364 -1.391 4.951 1.00 10.00 N ATOM 43 CA TYR A 4 9.674 -0.778 5.096 1.00 10.00 C ATOM 44 C TYR A 4 10.254 -0.395 3.733 1.00 10.00 C ATOM 45 O TYR A 4 10.740 -1.252 2.997 1.00 10.00 O ATOM 46 CB TYR A 4 10.568 -1.841 5.736 1.00 10.00 C ATOM 47 CG TYR A 4 9.880 -2.655 6.833 1.00 10.00 C ATOM 48 CD1 TYR A 4 9.661 -2.094 8.075 1.00 10.00 C ATOM 49 CD2 TYR A 4 9.477 -3.951 6.581 1.00 10.00 C ATOM 50 CE1 TYR A 4 9.013 -2.860 9.108 1.00 10.00 C ATOM 51 CE2 TYR A 4 8.828 -4.717 7.614 1.00 10.00 C ATOM 52 CZ TYR A 4 8.628 -4.134 8.826 1.00 10.00 C ATOM 53 OH TYR A 4 8.016 -4.858 9.801 1.00 10.00 O ATOM 0 H TYR A 4 8.375 -2.334 4.562 1.00 10.00 H new ATOM 0 HA TYR A 4 9.609 0.130 5.696 1.00 10.00 H new ATOM 0 HB2 TYR A 4 10.919 -2.521 4.960 1.00 10.00 H new ATOM 0 HB3 TYR A 4 11.448 -1.355 6.157 1.00 10.00 H new ATOM 0 HD1 TYR A 4 9.976 -1.080 8.272 1.00 10.00 H new ATOM 0 HD2 TYR A 4 9.648 -4.391 5.609 1.00 10.00 H new ATOM 0 HE1 TYR A 4 8.837 -2.433 10.084 1.00 10.00 H new ATOM 0 HE2 TYR A 4 8.507 -5.732 7.430 1.00 10.00 H new ATOM 0 HH TYR A 4 7.826 -4.279 10.568 1.00 10.00 H new ATOM 63 N PRO A 5 10.181 0.929 3.429 1.00 10.00 N ATOM 64 CA PRO A 5 10.435 1.402 2.079 1.00 10.00 C ATOM 65 C PRO A 5 11.931 1.376 1.761 1.00 10.00 C ATOM 66 O PRO A 5 12.762 1.545 2.652 1.00 10.00 O ATOM 67 CB PRO A 5 9.843 2.801 2.034 1.00 10.00 C ATOM 68 CG PRO A 5 9.695 3.238 3.483 1.00 10.00 C ATOM 69 CD PRO A 5 9.856 2.006 4.359 1.00 10.00 C ATOM 0 HA PRO A 5 9.980 0.767 1.319 1.00 10.00 H new ATOM 0 HB2 PRO A 5 10.493 3.483 1.485 1.00 10.00 H new ATOM 0 HB3 PRO A 5 8.879 2.801 1.526 1.00 10.00 H new ATOM 0 HG2 PRO A 5 10.446 3.987 3.735 1.00 10.00 H new ATOM 0 HG3 PRO A 5 8.720 3.698 3.646 1.00 10.00 H new ATOM 0 HD2 PRO A 5 10.647 2.145 5.096 1.00 10.00 H new ATOM 0 HD3 PRO A 5 8.941 1.790 4.911 1.00 10.00 H new ATOM 77 N VAL A 6 12.230 1.163 0.488 1.00 10.00 N ATOM 78 CA VAL A 6 13.603 1.239 0.018 1.00 10.00 C ATOM 79 C VAL A 6 13.624 1.839 -1.389 1.00 10.00 C ATOM 80 O VAL A 6 12.959 1.335 -2.293 1.00 10.00 O ATOM 81 CB VAL A 6 14.256 -0.143 0.089 1.00 10.00 C ATOM 82 CG1 VAL A 6 13.322 -1.220 -0.466 1.00 10.00 C ATOM 83 CG2 VAL A 6 15.600 -0.152 -0.643 1.00 10.00 C ATOM 0 H VAL A 6 11.545 0.938 -0.233 1.00 10.00 H new ATOM 0 HA VAL A 6 14.191 1.896 0.659 1.00 10.00 H new ATOM 0 HB VAL A 6 14.444 -0.371 1.138 1.00 10.00 H new ATOM 0 HG11 VAL A 6 13.810 -2.192 -0.404 1.00 10.00 H new ATOM 0 HG12 VAL A 6 12.401 -1.239 0.117 1.00 10.00 H new ATOM 0 HG13 VAL A 6 13.088 -0.997 -1.507 1.00 10.00 H new ATOM 0 HG21 VAL A 6 16.043 -1.146 -0.578 1.00 10.00 H new ATOM 0 HG22 VAL A 6 15.446 0.108 -1.690 1.00 10.00 H new ATOM 0 HG23 VAL A 6 16.270 0.575 -0.183 1.00 10.00 H new ATOM 93 N ASP A 7 14.395 2.907 -1.531 1.00 10.00 N ATOM 94 CA ASP A 7 14.627 3.494 -2.840 1.00 10.00 C ATOM 95 C ASP A 7 15.731 4.547 -2.733 1.00 10.00 C ATOM 96 O ASP A 7 16.856 4.320 -3.174 1.00 10.00 O ATOM 97 CB ASP A 7 13.366 4.182 -3.366 1.00 10.00 C ATOM 98 CG ASP A 7 12.392 4.660 -2.288 1.00 10.00 C ATOM 99 OD1 ASP A 7 11.292 4.108 -2.131 1.00 10.00 O ATOM 100 OD2 ASP A 7 12.807 5.656 -1.581 1.00 10.00 O ATOM 0 H ASP A 7 14.867 3.381 -0.761 1.00 10.00 H new ATOM 0 HA ASP A 7 14.913 2.694 -3.523 1.00 10.00 H new ATOM 0 HB2 ASP A 7 13.663 5.038 -3.971 1.00 10.00 H new ATOM 0 HB3 ASP A 7 12.842 3.491 -4.027 1.00 10.00 H new ATOM 106 N SER A 8 15.370 5.678 -2.144 1.00 10.00 N ATOM 107 CA SER A 8 16.288 6.802 -2.056 1.00 10.00 C ATOM 108 C SER A 8 17.247 6.603 -0.881 1.00 10.00 C ATOM 109 O SER A 8 18.324 7.197 -0.846 1.00 10.00 O ATOM 110 CB SER A 8 15.529 8.122 -1.904 1.00 10.00 C ATOM 111 OG SER A 8 14.679 8.120 -0.760 1.00 10.00 O ATOM 0 H SER A 8 14.455 5.840 -1.723 1.00 10.00 H new ATOM 0 HA SER A 8 16.862 6.849 -2.981 1.00 10.00 H new ATOM 0 HB2 SER A 8 16.242 8.943 -1.825 1.00 10.00 H new ATOM 0 HB3 SER A 8 14.933 8.303 -2.798 1.00 10.00 H new ATOM 0 HG SER A 8 14.213 8.980 -0.697 1.00 10.00 H new ATOM 117 N LYS A 9 16.822 5.765 0.054 1.00 10.00 N ATOM 118 CA LYS A 9 17.548 5.605 1.302 1.00 10.00 C ATOM 119 C LYS A 9 18.505 4.416 1.182 1.00 10.00 C ATOM 120 O LYS A 9 19.380 4.232 2.026 1.00 10.00 O ATOM 121 CB LYS A 9 16.575 5.495 2.477 1.00 10.00 C ATOM 122 CG LYS A 9 15.597 4.336 2.273 1.00 10.00 C ATOM 123 CD LYS A 9 14.207 4.851 1.896 1.00 10.00 C ATOM 124 CE LYS A 9 13.442 5.321 3.134 1.00 10.00 C ATOM 125 NZ LYS A 9 12.186 5.999 2.741 1.00 10.00 N ATOM 0 H LYS A 9 15.984 5.190 -0.028 1.00 10.00 H new ATOM 0 HA LYS A 9 18.157 6.486 1.504 1.00 10.00 H new ATOM 0 HB2 LYS A 9 17.132 5.347 3.402 1.00 10.00 H new ATOM 0 HB3 LYS A 9 16.022 6.428 2.584 1.00 10.00 H new ATOM 0 HG2 LYS A 9 15.969 3.676 1.490 1.00 10.00 H new ATOM 0 HG3 LYS A 9 15.534 3.744 3.186 1.00 10.00 H new ATOM 0 HD2 LYS A 9 14.300 5.674 1.188 1.00 10.00 H new ATOM 0 HD3 LYS A 9 13.646 4.062 1.396 1.00 10.00 H new ATOM 0 HE2 LYS A 9 13.217 4.469 3.775 1.00 10.00 H new ATOM 0 HE3 LYS A 9 14.063 6.002 3.716 1.00 10.00 H new ATOM 0 HZ1 LYS A 9 11.679 6.312 3.593 1.00 10.00 H new ATOM 0 HZ2 LYS A 9 12.408 6.824 2.148 1.00 10.00 H new ATOM 0 HZ3 LYS A 9 11.588 5.338 2.205 1.00 10.00 H new ATOM 138 N GLY A 10 18.305 3.641 0.126 1.00 10.00 N ATOM 139 CA GLY A 10 19.290 2.649 -0.271 1.00 10.00 C ATOM 140 C GLY A 10 19.099 1.346 0.507 1.00 10.00 C ATOM 141 O GLY A 10 18.723 0.325 -0.068 1.00 10.00 O ATOM 0 H GLY A 10 17.476 3.680 -0.467 1.00 10.00 H new ATOM 0 HA2 GLY A 10 19.205 2.454 -1.340 1.00 10.00 H new ATOM 0 HA3 GLY A 10 20.293 3.037 -0.097 1.00 10.00 H new ATOM 145 N CYS A 11 19.367 1.422 1.802 1.00 10.00 N ATOM 146 CA CYS A 11 19.288 0.247 2.653 1.00 10.00 C ATOM 147 C CYS A 11 18.564 0.637 3.943 1.00 10.00 C ATOM 148 O CYS A 11 19.086 0.433 5.038 1.00 10.00 O ATOM 149 CB CYS A 11 20.671 -0.345 2.931 1.00 10.00 C ATOM 150 SG CYS A 11 21.480 -1.118 1.483 1.00 10.00 S ATOM 0 H CYS A 11 19.639 2.279 2.283 1.00 10.00 H new ATOM 0 HA CYS A 11 18.726 -0.537 2.144 1.00 10.00 H new ATOM 0 HB2 CYS A 11 21.319 0.444 3.313 1.00 10.00 H new ATOM 0 HB3 CYS A 11 20.579 -1.092 3.720 1.00 10.00 H new ATOM 0 HG CYS A 11 22.643 -1.583 1.832 1.00 10.00 H new ATOM 155 N LYS A 12 17.372 1.190 3.772 1.00 10.00 N ATOM 156 CA LYS A 12 16.463 1.372 4.891 1.00 10.00 C ATOM 157 C LYS A 12 17.007 2.469 5.810 1.00 10.00 C ATOM 158 O LYS A 12 18.171 2.851 5.704 1.00 10.00 O ATOM 159 CB LYS A 12 16.215 0.041 5.602 1.00 10.00 C ATOM 160 CG LYS A 12 14.729 -0.145 5.915 1.00 10.00 C ATOM 161 CD LYS A 12 13.961 -0.601 4.673 1.00 10.00 C ATOM 162 CE LYS A 12 13.971 -2.126 4.550 1.00 10.00 C ATOM 163 NZ LYS A 12 13.427 -2.545 3.239 1.00 10.00 N ATOM 0 H LYS A 12 17.015 1.518 2.875 1.00 10.00 H new ATOM 0 HA LYS A 12 15.487 1.705 4.539 1.00 10.00 H new ATOM 0 HB2 LYS A 12 16.564 -0.780 4.976 1.00 10.00 H new ATOM 0 HB3 LYS A 12 16.792 0.005 6.526 1.00 10.00 H new ATOM 0 HG2 LYS A 12 14.610 -0.880 6.711 1.00 10.00 H new ATOM 0 HG3 LYS A 12 14.311 0.792 6.282 1.00 10.00 H new ATOM 0 HD2 LYS A 12 12.933 -0.244 4.726 1.00 10.00 H new ATOM 0 HD3 LYS A 12 14.407 -0.158 3.783 1.00 10.00 H new ATOM 0 HE2 LYS A 12 14.989 -2.499 4.664 1.00 10.00 H new ATOM 0 HE3 LYS A 12 13.379 -2.565 5.353 1.00 10.00 H new ATOM 0 HZ1 LYS A 12 13.362 -3.582 3.206 1.00 10.00 H new ATOM 0 HZ2 LYS A 12 12.480 -2.135 3.109 1.00 10.00 H new ATOM 0 HZ3 LYS A 12 14.056 -2.213 2.480 1.00 10.00 H new ATOM 176 N LEU A 13 16.137 2.943 6.690 1.00 10.00 N ATOM 177 CA LEU A 13 16.580 3.727 7.830 1.00 10.00 C ATOM 178 C LEU A 13 17.223 2.799 8.863 1.00 10.00 C ATOM 179 O LEU A 13 18.147 3.197 9.570 1.00 10.00 O ATOM 180 CB LEU A 13 15.424 4.561 8.388 1.00 10.00 C ATOM 181 CG LEU A 13 15.220 5.936 7.749 1.00 10.00 C ATOM 182 CD1 LEU A 13 14.861 5.804 6.267 1.00 10.00 C ATOM 183 CD2 LEU A 13 14.180 6.750 8.520 1.00 10.00 C ATOM 0 H LEU A 13 15.129 2.799 6.636 1.00 10.00 H new ATOM 0 HA LEU A 13 17.343 4.444 7.526 1.00 10.00 H new ATOM 0 HB2 LEU A 13 14.503 3.990 8.276 1.00 10.00 H new ATOM 0 HB3 LEU A 13 15.585 4.699 9.457 1.00 10.00 H new ATOM 0 HG LEU A 13 16.162 6.482 7.805 1.00 10.00 H new ATOM 0 HD11 LEU A 13 14.721 6.796 5.837 1.00 10.00 H new ATOM 0 HD12 LEU A 13 15.667 5.291 5.742 1.00 10.00 H new ATOM 0 HD13 LEU A 13 13.939 5.231 6.166 1.00 10.00 H new ATOM 0 HD21 LEU A 13 14.054 7.723 8.045 1.00 10.00 H new ATOM 0 HD22 LEU A 13 13.228 6.219 8.518 1.00 10.00 H new ATOM 0 HD23 LEU A 13 14.516 6.889 9.548 1.00 10.00 H new ATOM 195 N SER A 14 16.708 1.579 8.917 1.00 10.00 N ATOM 196 CA SER A 14 17.101 0.647 9.959 1.00 10.00 C ATOM 197 C SER A 14 16.495 1.073 11.298 1.00 10.00 C ATOM 198 O SER A 14 15.812 0.287 11.953 1.00 10.00 O ATOM 199 CB SER A 14 18.624 0.556 10.071 1.00 10.00 C ATOM 200 OG SER A 14 19.258 0.617 8.796 1.00 10.00 O ATOM 0 H SER A 14 16.022 1.215 8.256 1.00 10.00 H new ATOM 0 HA SER A 14 16.724 -0.341 9.694 1.00 10.00 H new ATOM 0 HB2 SER A 14 18.991 1.369 10.697 1.00 10.00 H new ATOM 0 HB3 SER A 14 18.896 -0.376 10.567 1.00 10.00 H new ATOM 0 HG SER A 14 20.229 0.557 8.911 1.00 10.00 H new ATOM 206 N CYS A 15 16.767 2.316 11.666 1.00 10.00 N ATOM 207 CA CYS A 15 15.949 3.001 12.653 1.00 10.00 C ATOM 208 C CYS A 15 16.275 2.422 14.031 1.00 10.00 C ATOM 209 O CYS A 15 16.361 1.206 14.193 1.00 10.00 O ATOM 210 CB CYS A 15 14.458 2.892 12.326 1.00 10.00 C ATOM 211 SG CYS A 15 13.603 1.474 13.105 1.00 10.00 S ATOM 0 H CYS A 15 17.543 2.867 11.298 1.00 10.00 H new ATOM 0 HA CYS A 15 16.179 4.067 12.644 1.00 10.00 H new ATOM 0 HB2 CYS A 15 13.964 3.812 12.638 1.00 10.00 H new ATOM 0 HB3 CYS A 15 14.342 2.819 11.245 1.00 10.00 H new ATOM 216 N VAL A 16 16.448 3.321 14.989 1.00 10.00 N ATOM 217 CA VAL A 16 16.713 2.913 16.358 1.00 10.00 C ATOM 218 C VAL A 16 15.852 3.748 17.310 1.00 10.00 C ATOM 219 O VAL A 16 16.100 3.775 18.514 1.00 10.00 O ATOM 220 CB VAL A 16 18.210 3.021 16.656 1.00 10.00 C ATOM 221 CG1 VAL A 16 18.631 4.482 16.826 1.00 10.00 C ATOM 222 CG2 VAL A 16 18.584 2.196 17.889 1.00 10.00 C ATOM 0 H VAL A 16 16.410 4.330 14.844 1.00 10.00 H new ATOM 0 HA VAL A 16 16.441 1.868 16.505 1.00 10.00 H new ATOM 0 HB VAL A 16 18.752 2.613 15.803 1.00 10.00 H new ATOM 0 HG11 VAL A 16 19.699 4.531 17.037 1.00 10.00 H new ATOM 0 HG12 VAL A 16 18.417 5.031 15.909 1.00 10.00 H new ATOM 0 HG13 VAL A 16 18.077 4.926 17.653 1.00 10.00 H new ATOM 0 HG21 VAL A 16 19.653 2.290 18.079 1.00 10.00 H new ATOM 0 HG22 VAL A 16 18.028 2.561 18.753 1.00 10.00 H new ATOM 0 HG23 VAL A 16 18.337 1.149 17.715 1.00 10.00 H new ATOM 232 N ALA A 17 14.859 4.408 16.733 1.00 10.00 N ATOM 233 CA ALA A 17 14.047 5.347 17.487 1.00 10.00 C ATOM 234 C ALA A 17 12.785 5.680 16.689 1.00 10.00 C ATOM 235 O ALA A 17 12.802 5.662 15.459 1.00 10.00 O ATOM 236 CB ALA A 17 14.876 6.591 17.814 1.00 10.00 C ATOM 0 H ALA A 17 14.598 4.311 15.752 1.00 10.00 H new ATOM 0 HA ALA A 17 13.731 4.908 18.433 1.00 10.00 H new ATOM 0 HB1 ALA A 17 14.267 7.296 18.380 1.00 10.00 H new ATOM 0 HB2 ALA A 17 15.744 6.304 18.407 1.00 10.00 H new ATOM 0 HB3 ALA A 17 15.208 7.060 16.888 1.00 10.00 H new ATOM 242 N ASN A 18 11.721 5.977 17.420 1.00 10.00 N ATOM 243 CA ASN A 18 10.403 6.076 16.818 1.00 10.00 C ATOM 244 C ASN A 18 10.309 7.376 16.017 1.00 10.00 C ATOM 245 O ASN A 18 9.800 7.383 14.897 1.00 10.00 O ATOM 246 CB ASN A 18 9.309 6.100 17.888 1.00 10.00 C ATOM 247 CG ASN A 18 9.487 4.950 18.880 1.00 10.00 C ATOM 248 OD1 ASN A 18 9.252 3.748 18.363 1.00 10.00 O flip ATOM 249 ND2 ASN A 18 9.816 5.141 20.039 1.00 10.00 N flip ATOM 0 H ASN A 18 11.745 6.152 18.425 1.00 10.00 H new ATOM 0 HA ASN A 18 10.260 5.207 16.175 1.00 10.00 H new ATOM 0 HB2 ASN A 18 9.336 7.051 18.420 1.00 10.00 H new ATOM 0 HB3 ASN A 18 8.330 6.028 17.414 1.00 10.00 H new ATOM 0 HD21 ASN A 18 9.981 6.091 20.372 1.00 10.00 H new ATOM 0 HD22 ASN A 18 9.926 4.351 20.675 1.00 10.00 H new ATOM 256 N ASN A 19 10.808 8.444 16.621 1.00 10.00 N ATOM 257 CA ASN A 19 10.781 9.748 15.981 1.00 10.00 C ATOM 258 C ASN A 19 11.647 9.710 14.720 1.00 10.00 C ATOM 259 O ASN A 19 11.316 10.339 13.716 1.00 10.00 O ATOM 260 CB ASN A 19 11.341 10.829 16.908 1.00 10.00 C ATOM 261 CG ASN A 19 12.706 10.419 17.465 1.00 10.00 C ATOM 262 OD1 ASN A 19 13.736 10.570 16.829 1.00 10.00 O ATOM 263 ND2 ASN A 19 12.655 9.894 18.686 1.00 10.00 N ATOM 0 H ASN A 19 11.234 8.433 17.548 1.00 10.00 H new ATOM 0 HA ASN A 19 9.745 9.983 15.739 1.00 10.00 H new ATOM 0 HB2 ASN A 19 11.434 11.768 16.363 1.00 10.00 H new ATOM 0 HB3 ASN A 19 10.647 11.004 17.730 1.00 10.00 H new ATOM 0 HD21 ASN A 19 13.513 9.589 19.146 1.00 10.00 H new ATOM 0 HD22 ASN A 19 11.758 9.796 19.162 1.00 10.00 H new ATOM 270 N TYR A 20 12.739 8.966 14.813 1.00 10.00 N ATOM 271 CA TYR A 20 13.724 8.946 13.745 1.00 10.00 C ATOM 272 C TYR A 20 13.131 8.355 12.464 1.00 10.00 C ATOM 273 O TYR A 20 13.492 8.766 11.362 1.00 10.00 O ATOM 274 CB TYR A 20 14.857 8.040 14.233 1.00 10.00 C ATOM 275 CG TYR A 20 16.027 7.927 13.255 1.00 10.00 C ATOM 276 CD1 TYR A 20 17.068 8.832 13.315 1.00 10.00 C ATOM 277 CD2 TYR A 20 16.043 6.919 12.312 1.00 10.00 C ATOM 278 CE1 TYR A 20 18.170 8.725 12.394 1.00 10.00 C ATOM 279 CE2 TYR A 20 17.146 6.812 11.391 1.00 10.00 C ATOM 280 CZ TYR A 20 18.154 7.720 11.478 1.00 10.00 C ATOM 281 OH TYR A 20 19.195 7.619 10.608 1.00 10.00 O ATOM 0 H TYR A 20 12.964 8.372 15.612 1.00 10.00 H new ATOM 0 HA TYR A 20 14.065 9.956 13.518 1.00 10.00 H new ATOM 0 HB2 TYR A 20 15.228 8.420 15.185 1.00 10.00 H new ATOM 0 HB3 TYR A 20 14.457 7.044 14.421 1.00 10.00 H new ATOM 0 HD1 TYR A 20 17.056 9.620 14.053 1.00 10.00 H new ATOM 0 HD2 TYR A 20 15.229 6.211 12.265 1.00 10.00 H new ATOM 0 HE1 TYR A 20 18.990 9.427 12.430 1.00 10.00 H new ATOM 0 HE2 TYR A 20 17.171 6.028 10.648 1.00 10.00 H new ATOM 0 HH TYR A 20 19.050 6.855 10.012 1.00 10.00 H new ATOM 291 N CYS A 21 12.231 7.401 12.652 1.00 10.00 N ATOM 292 CA CYS A 21 11.465 6.866 11.539 1.00 10.00 C ATOM 293 C CYS A 21 10.382 7.881 11.169 1.00 10.00 C ATOM 294 O CYS A 21 10.332 8.356 10.035 1.00 10.00 O ATOM 295 CB CYS A 21 10.872 5.494 11.869 1.00 10.00 C ATOM 296 SG CYS A 21 9.639 4.881 10.663 1.00 10.00 S ATOM 0 H CYS A 21 12.015 6.985 13.558 1.00 10.00 H new ATOM 0 HA CYS A 21 12.122 6.709 10.684 1.00 10.00 H new ATOM 0 HB2 CYS A 21 11.684 4.770 11.937 1.00 10.00 H new ATOM 0 HB3 CYS A 21 10.405 5.543 12.852 1.00 10.00 H new ATOM 301 N ASP A 22 9.541 8.185 12.147 1.00 10.00 N ATOM 302 CA ASP A 22 8.231 8.745 11.861 1.00 10.00 C ATOM 303 C ASP A 22 8.400 10.072 11.119 1.00 10.00 C ATOM 304 O ASP A 22 7.677 10.349 10.162 1.00 10.00 O ATOM 305 CB ASP A 22 7.455 9.019 13.151 1.00 10.00 C ATOM 306 CG ASP A 22 6.010 9.478 12.951 1.00 10.00 C ATOM 307 OD1 ASP A 22 5.295 8.973 12.072 1.00 10.00 O ATOM 308 OD2 ASP A 22 5.616 10.407 13.754 1.00 10.00 O ATOM 0 H ASP A 22 9.742 8.054 13.138 1.00 10.00 H new ATOM 0 HA ASP A 22 7.681 8.024 11.256 1.00 10.00 H new ATOM 0 HB2 ASP A 22 7.452 8.112 13.755 1.00 10.00 H new ATOM 0 HB3 ASP A 22 7.986 9.780 13.722 1.00 10.00 H new ATOM 314 N ASN A 23 9.357 10.858 11.588 1.00 10.00 N ATOM 315 CA ASN A 23 9.553 12.197 11.059 1.00 10.00 C ATOM 316 C ASN A 23 9.870 12.110 9.565 1.00 10.00 C ATOM 317 O ASN A 23 9.505 12.998 8.796 1.00 10.00 O ATOM 318 CB ASN A 23 10.724 12.897 11.751 1.00 10.00 C ATOM 319 CG ASN A 23 12.050 12.548 11.072 1.00 10.00 C ATOM 320 OD1 ASN A 23 12.577 13.293 10.262 1.00 10.00 O ATOM 321 ND2 ASN A 23 12.557 11.377 11.445 1.00 10.00 N ATOM 0 H ASN A 23 10.006 10.593 12.329 1.00 10.00 H new ATOM 0 HA ASN A 23 8.639 12.765 11.234 1.00 10.00 H new ATOM 0 HB2 ASN A 23 10.572 13.976 11.728 1.00 10.00 H new ATOM 0 HB3 ASN A 23 10.760 12.603 12.800 1.00 10.00 H new ATOM 0 HD21 ASN A 23 13.439 11.053 11.048 1.00 10.00 H new ATOM 0 HD22 ASN A 23 12.064 10.802 12.128 1.00 10.00 H new ATOM 328 N GLN A 24 10.546 11.031 9.198 1.00 10.00 N ATOM 329 CA GLN A 24 11.005 10.865 7.830 1.00 10.00 C ATOM 330 C GLN A 24 9.929 10.174 6.989 1.00 10.00 C ATOM 331 O GLN A 24 9.862 10.371 5.777 1.00 10.00 O ATOM 332 CB GLN A 24 12.321 10.086 7.783 1.00 10.00 C ATOM 333 CG GLN A 24 12.897 10.067 6.366 1.00 10.00 C ATOM 334 CD GLN A 24 14.405 9.807 6.390 1.00 10.00 C ATOM 335 OE1 GLN A 24 15.075 9.985 7.394 1.00 10.00 O ATOM 336 NE2 GLN A 24 14.898 9.377 5.233 1.00 10.00 N ATOM 0 H GLN A 24 10.787 10.263 9.825 1.00 10.00 H new ATOM 0 HA GLN A 24 11.190 11.853 7.408 1.00 10.00 H new ATOM 0 HB2 GLN A 24 13.040 10.539 8.466 1.00 10.00 H new ATOM 0 HB3 GLN A 24 12.155 9.065 8.126 1.00 10.00 H new ATOM 0 HG2 GLN A 24 12.401 9.295 5.778 1.00 10.00 H new ATOM 0 HG3 GLN A 24 12.696 11.019 5.875 1.00 10.00 H new ATOM 0 HE21 GLN A 24 14.280 9.250 4.431 1.00 10.00 H new ATOM 0 HE22 GLN A 24 15.894 9.174 5.147 1.00 10.00 H new ATOM 345 N CYS A 25 9.115 9.378 7.667 1.00 10.00 N ATOM 346 CA CYS A 25 7.952 8.781 7.032 1.00 10.00 C ATOM 347 C CYS A 25 7.019 9.907 6.583 1.00 10.00 C ATOM 348 O CYS A 25 6.654 9.986 5.411 1.00 10.00 O ATOM 349 CB CYS A 25 7.246 7.791 7.960 1.00 10.00 C ATOM 350 SG CYS A 25 8.227 6.306 8.386 1.00 10.00 S ATOM 0 H CYS A 25 9.238 9.133 8.649 1.00 10.00 H new ATOM 0 HA CYS A 25 8.266 8.202 6.163 1.00 10.00 H new ATOM 0 HB2 CYS A 25 6.976 8.307 8.881 1.00 10.00 H new ATOM 0 HB3 CYS A 25 6.316 7.472 7.489 1.00 10.00 H new ATOM 355 N LYS A 26 6.659 10.751 7.539 1.00 10.00 N ATOM 356 CA LYS A 26 5.597 11.719 7.323 1.00 10.00 C ATOM 357 C LYS A 26 6.119 12.854 6.441 1.00 10.00 C ATOM 358 O LYS A 26 5.337 13.633 5.898 1.00 10.00 O ATOM 359 CB LYS A 26 5.023 12.193 8.660 1.00 10.00 C ATOM 360 CG LYS A 26 6.076 12.952 9.470 1.00 10.00 C ATOM 361 CD LYS A 26 5.538 14.309 9.931 1.00 10.00 C ATOM 362 CE LYS A 26 5.536 15.318 8.781 1.00 10.00 C ATOM 363 NZ LYS A 26 5.141 16.658 9.269 1.00 10.00 N ATOM 0 H LYS A 26 7.084 10.784 8.466 1.00 10.00 H new ATOM 0 HA LYS A 26 4.765 11.258 6.791 1.00 10.00 H new ATOM 0 HB2 LYS A 26 4.162 12.837 8.482 1.00 10.00 H new ATOM 0 HB3 LYS A 26 4.667 11.336 9.232 1.00 10.00 H new ATOM 0 HG2 LYS A 26 6.370 12.360 10.336 1.00 10.00 H new ATOM 0 HG3 LYS A 26 6.971 13.098 8.865 1.00 10.00 H new ATOM 0 HD2 LYS A 26 4.526 14.191 10.317 1.00 10.00 H new ATOM 0 HD3 LYS A 26 6.149 14.687 10.750 1.00 10.00 H new ATOM 0 HE2 LYS A 26 6.527 15.366 8.330 1.00 10.00 H new ATOM 0 HE3 LYS A 26 4.847 14.990 8.003 1.00 10.00 H new ATOM 0 HZ1 LYS A 26 5.145 17.331 8.476 1.00 10.00 H new ATOM 0 HZ2 LYS A 26 4.186 16.611 9.679 1.00 10.00 H new ATOM 0 HZ3 LYS A 26 5.814 16.975 9.996 1.00 10.00 H new ATOM 376 N MET A 27 7.438 12.912 6.325 1.00 10.00 N ATOM 377 CA MET A 27 8.080 14.012 5.625 1.00 10.00 C ATOM 378 C MET A 27 7.451 14.225 4.246 1.00 10.00 C ATOM 379 O MET A 27 7.108 15.350 3.884 1.00 10.00 O ATOM 380 CB MET A 27 9.572 13.713 5.465 1.00 10.00 C ATOM 381 CG MET A 27 10.317 14.926 4.905 1.00 10.00 C ATOM 382 SD MET A 27 12.019 14.500 4.579 1.00 10.00 S ATOM 383 CE MET A 27 12.684 14.591 6.233 1.00 10.00 C ATOM 0 H MET A 27 8.079 12.215 6.704 1.00 10.00 H new ATOM 0 HA MET A 27 7.943 14.921 6.211 1.00 10.00 H new ATOM 0 HB2 MET A 27 9.996 13.435 6.430 1.00 10.00 H new ATOM 0 HB3 MET A 27 9.706 12.860 4.800 1.00 10.00 H new ATOM 0 HG2 MET A 27 9.837 15.266 3.988 1.00 10.00 H new ATOM 0 HG3 MET A 27 10.270 15.752 5.615 1.00 10.00 H new ATOM 0 HE1 MET A 27 13.412 15.400 6.288 1.00 10.00 H new ATOM 0 HE2 MET A 27 11.876 14.780 6.940 1.00 10.00 H new ATOM 0 HE3 MET A 27 13.171 13.648 6.482 1.00 10.00 H new ATOM 393 N LYS A 28 7.319 13.128 3.515 1.00 10.00 N ATOM 394 CA LYS A 28 6.938 13.204 2.115 1.00 10.00 C ATOM 395 C LYS A 28 6.674 11.792 1.586 1.00 10.00 C ATOM 396 O LYS A 28 5.691 11.563 0.883 1.00 10.00 O ATOM 397 CB LYS A 28 7.991 13.973 1.315 1.00 10.00 C ATOM 398 CG LYS A 28 9.348 13.270 1.375 1.00 10.00 C ATOM 399 CD LYS A 28 10.457 14.170 0.826 1.00 10.00 C ATOM 400 CE LYS A 28 11.806 13.448 0.839 1.00 10.00 C ATOM 401 NZ LYS A 28 11.890 12.486 -0.282 1.00 10.00 N ATOM 0 H LYS A 28 7.469 12.182 3.866 1.00 10.00 H new ATOM 0 HA LYS A 28 6.011 13.766 2.002 1.00 10.00 H new ATOM 0 HB2 LYS A 28 7.670 14.063 0.277 1.00 10.00 H new ATOM 0 HB3 LYS A 28 8.084 14.985 1.709 1.00 10.00 H new ATOM 0 HG2 LYS A 28 9.574 12.996 2.405 1.00 10.00 H new ATOM 0 HG3 LYS A 28 9.308 12.345 0.800 1.00 10.00 H new ATOM 0 HD2 LYS A 28 10.213 14.474 -0.192 1.00 10.00 H new ATOM 0 HD3 LYS A 28 10.521 15.079 1.423 1.00 10.00 H new ATOM 0 HE2 LYS A 28 12.615 14.175 0.764 1.00 10.00 H new ATOM 0 HE3 LYS A 28 11.936 12.924 1.786 1.00 10.00 H new ATOM 0 HZ1 LYS A 28 12.818 12.017 -0.268 1.00 10.00 H new ATOM 0 HZ2 LYS A 28 11.140 11.772 -0.184 1.00 10.00 H new ATOM 0 HZ3 LYS A 28 11.771 12.992 -1.183 1.00 10.00 H new ATOM 414 N LYS A 29 7.569 10.884 1.944 1.00 10.00 N ATOM 415 CA LYS A 29 7.478 9.514 1.467 1.00 10.00 C ATOM 416 C LYS A 29 6.090 8.957 1.791 1.00 10.00 C ATOM 417 O LYS A 29 5.456 8.330 0.944 1.00 10.00 O ATOM 418 CB LYS A 29 8.625 8.673 2.029 1.00 10.00 C ATOM 419 CG LYS A 29 9.965 9.099 1.424 1.00 10.00 C ATOM 420 CD LYS A 29 10.469 8.060 0.421 1.00 10.00 C ATOM 421 CE LYS A 29 9.623 8.073 -0.854 1.00 10.00 C ATOM 422 NZ LYS A 29 10.258 7.248 -1.906 1.00 10.00 N ATOM 0 H LYS A 29 8.361 11.070 2.559 1.00 10.00 H new ATOM 0 HA LYS A 29 7.591 9.480 0.383 1.00 10.00 H new ATOM 0 HB2 LYS A 29 8.661 8.779 3.113 1.00 10.00 H new ATOM 0 HB3 LYS A 29 8.445 7.619 1.818 1.00 10.00 H new ATOM 0 HG2 LYS A 29 9.854 10.064 0.929 1.00 10.00 H new ATOM 0 HG3 LYS A 29 10.701 9.231 2.217 1.00 10.00 H new ATOM 0 HD2 LYS A 29 11.510 8.264 0.173 1.00 10.00 H new ATOM 0 HD3 LYS A 29 10.438 7.068 0.872 1.00 10.00 H new ATOM 0 HE2 LYS A 29 8.624 7.693 -0.639 1.00 10.00 H new ATOM 0 HE3 LYS A 29 9.505 9.097 -1.209 1.00 10.00 H new ATOM 0 HZ1 LYS A 29 10.450 7.838 -2.741 1.00 10.00 H new ATOM 0 HZ2 LYS A 29 11.151 6.855 -1.547 1.00 10.00 H new ATOM 0 HZ3 LYS A 29 9.619 6.471 -2.171 1.00 10.00 H new ATOM 435 N ALA A 30 5.660 9.206 3.019 1.00 10.00 N ATOM 436 CA ALA A 30 4.543 8.468 3.585 1.00 10.00 C ATOM 437 C ALA A 30 3.703 9.408 4.451 1.00 10.00 C ATOM 438 O ALA A 30 4.011 10.594 4.565 1.00 10.00 O ATOM 439 CB ALA A 30 5.071 7.266 4.371 1.00 10.00 C ATOM 0 H ALA A 30 6.065 9.908 3.638 1.00 10.00 H new ATOM 0 HA ALA A 30 3.898 8.083 2.795 1.00 10.00 H new ATOM 0 HB1 ALA A 30 4.233 6.713 4.796 1.00 10.00 H new ATOM 0 HB2 ALA A 30 5.636 6.615 3.704 1.00 10.00 H new ATOM 0 HB3 ALA A 30 5.721 7.613 5.174 1.00 10.00 H new ATOM 445 N SER A 31 2.659 8.844 5.040 1.00 10.00 N ATOM 446 CA SER A 31 1.823 9.595 5.961 1.00 10.00 C ATOM 447 C SER A 31 2.463 9.616 7.351 1.00 10.00 C ATOM 448 O SER A 31 2.293 10.576 8.101 1.00 10.00 O ATOM 449 CB SER A 31 0.415 9.002 6.035 1.00 10.00 C ATOM 450 OG SER A 31 -0.181 8.878 4.746 1.00 10.00 O ATOM 0 H SER A 31 2.373 7.875 4.897 1.00 10.00 H new ATOM 0 HA SER A 31 1.739 10.617 5.591 1.00 10.00 H new ATOM 0 HB2 SER A 31 0.459 8.022 6.510 1.00 10.00 H new ATOM 0 HB3 SER A 31 -0.212 9.633 6.665 1.00 10.00 H new ATOM 0 HG SER A 31 -1.078 8.494 4.836 1.00 10.00 H new ATOM 456 N GLY A 32 3.186 8.547 7.651 1.00 10.00 N ATOM 457 CA GLY A 32 3.770 8.386 8.971 1.00 10.00 C ATOM 458 C GLY A 32 4.122 6.921 9.240 1.00 10.00 C ATOM 459 O GLY A 32 4.021 6.081 8.347 1.00 10.00 O ATOM 0 H GLY A 32 3.380 7.784 7.002 1.00 10.00 H new ATOM 0 HA2 GLY A 32 4.667 9.000 9.053 1.00 10.00 H new ATOM 0 HA3 GLY A 32 3.070 8.741 9.728 1.00 10.00 H new ATOM 463 N GLY A 33 4.528 6.660 10.474 1.00 10.00 N ATOM 464 CA GLY A 33 4.685 5.292 10.936 1.00 10.00 C ATOM 465 C GLY A 33 5.709 5.211 12.071 1.00 10.00 C ATOM 466 O GLY A 33 5.884 6.168 12.823 1.00 10.00 O ATOM 0 H GLY A 33 4.753 7.373 11.168 1.00 10.00 H new ATOM 0 HA2 GLY A 33 3.725 4.908 11.280 1.00 10.00 H new ATOM 0 HA3 GLY A 33 5.004 4.659 10.108 1.00 10.00 H new ATOM 470 N HIS A 34 6.358 4.059 12.157 1.00 10.00 N ATOM 471 CA HIS A 34 6.916 3.608 13.421 1.00 10.00 C ATOM 472 C HIS A 34 8.220 2.849 13.164 1.00 10.00 C ATOM 473 O HIS A 34 8.410 2.280 12.091 1.00 10.00 O ATOM 474 CB HIS A 34 5.893 2.781 14.202 1.00 10.00 C ATOM 475 CG HIS A 34 6.270 2.540 15.644 1.00 10.00 C ATOM 476 ND1 HIS A 34 6.956 1.516 16.227 1.00 10.00 N flip ATOM 477 CD2 HIS A 34 5.934 3.415 16.663 1.00 10.00 C flip ATOM 478 CE1 HIS A 34 7.036 1.752 17.531 1.00 10.00 C flip ATOM 479 NE2 HIS A 34 6.402 2.929 17.803 1.00 10.00 N flip ATOM 0 H HIS A 34 6.510 3.425 11.373 1.00 10.00 H new ATOM 0 HA HIS A 34 7.154 4.469 14.046 1.00 10.00 H new ATOM 0 HB2 HIS A 34 4.929 3.289 14.169 1.00 10.00 H new ATOM 0 HB3 HIS A 34 5.763 1.819 13.705 1.00 10.00 H new ATOM 0 HD2 HIS A 34 5.384 4.337 16.548 1.00 10.00 H new ATOM 0 HE1 HIS A 34 7.523 1.117 18.257 1.00 10.00 H new ATOM 0 HE2 HIS A 34 6.305 3.359 18.723 1.00 10.00 H new ATOM 487 N CYS A 35 9.084 2.867 14.168 1.00 10.00 N ATOM 488 CA CYS A 35 10.343 2.146 14.085 1.00 10.00 C ATOM 489 C CYS A 35 10.129 0.739 14.645 1.00 10.00 C ATOM 490 O CYS A 35 10.140 0.542 15.859 1.00 10.00 O ATOM 491 CB CYS A 35 11.468 2.886 14.813 1.00 10.00 C ATOM 492 SG CYS A 35 13.048 1.968 14.917 1.00 10.00 S ATOM 0 H CYS A 35 8.937 3.370 15.043 1.00 10.00 H new ATOM 0 HA CYS A 35 10.657 2.077 13.044 1.00 10.00 H new ATOM 0 HB2 CYS A 35 11.648 3.834 14.306 1.00 10.00 H new ATOM 0 HB3 CYS A 35 11.134 3.123 15.823 1.00 10.00 H new ATOM 497 N TYR A 36 9.940 -0.204 13.733 1.00 10.00 N ATOM 498 CA TYR A 36 9.540 -1.547 14.118 1.00 10.00 C ATOM 499 C TYR A 36 10.618 -2.567 13.747 1.00 10.00 C ATOM 500 O TYR A 36 11.071 -2.609 12.604 1.00 10.00 O ATOM 501 CB TYR A 36 8.270 -1.853 13.321 1.00 10.00 C ATOM 502 CG TYR A 36 7.640 -3.207 13.650 1.00 10.00 C ATOM 503 CD1 TYR A 36 6.726 -3.311 14.679 1.00 10.00 C ATOM 504 CD2 TYR A 36 7.985 -4.325 12.919 1.00 10.00 C ATOM 505 CE1 TYR A 36 6.132 -4.586 14.989 1.00 10.00 C ATOM 506 CE2 TYR A 36 7.392 -5.600 13.229 1.00 10.00 C ATOM 507 CZ TYR A 36 6.495 -5.668 14.249 1.00 10.00 C ATOM 508 OH TYR A 36 5.935 -6.872 14.542 1.00 10.00 O ATOM 0 H TYR A 36 10.056 -0.065 12.729 1.00 10.00 H new ATOM 0 HA TYR A 36 9.383 -1.607 15.195 1.00 10.00 H new ATOM 0 HB2 TYR A 36 7.538 -1.068 13.509 1.00 10.00 H new ATOM 0 HB3 TYR A 36 8.505 -1.822 12.257 1.00 10.00 H new ATOM 0 HD1 TYR A 36 6.456 -2.436 15.252 1.00 10.00 H new ATOM 0 HD2 TYR A 36 8.700 -4.244 12.114 1.00 10.00 H new ATOM 0 HE1 TYR A 36 5.415 -4.681 15.791 1.00 10.00 H new ATOM 0 HE2 TYR A 36 7.654 -6.483 12.664 1.00 10.00 H new ATOM 0 HH TYR A 36 6.287 -7.553 13.932 1.00 10.00 H new ATOM 518 N ALA A 37 10.997 -3.365 14.735 1.00 10.00 N ATOM 519 CA ALA A 37 11.896 -4.481 14.493 1.00 10.00 C ATOM 520 C ALA A 37 13.035 -4.024 13.580 1.00 10.00 C ATOM 521 O ALA A 37 13.305 -4.651 12.557 1.00 10.00 O ATOM 522 CB ALA A 37 11.108 -5.651 13.901 1.00 10.00 C ATOM 0 H ALA A 37 10.698 -3.261 15.705 1.00 10.00 H new ATOM 0 HA ALA A 37 12.340 -4.826 15.427 1.00 10.00 H new ATOM 0 HB1 ALA A 37 11.782 -6.488 13.719 1.00 10.00 H new ATOM 0 HB2 ALA A 37 10.330 -5.956 14.600 1.00 10.00 H new ATOM 0 HB3 ALA A 37 10.650 -5.343 12.961 1.00 10.00 H new ATOM 528 N MET A 38 13.672 -2.934 13.982 1.00 10.00 N ATOM 529 CA MET A 38 14.864 -2.467 13.293 1.00 10.00 C ATOM 530 C MET A 38 14.579 -2.222 11.810 1.00 10.00 C ATOM 531 O MET A 38 15.407 -2.533 10.956 1.00 10.00 O ATOM 532 CB MET A 38 15.976 -3.507 13.435 1.00 10.00 C ATOM 533 CG MET A 38 17.351 -2.874 13.211 1.00 10.00 C ATOM 534 SD MET A 38 17.792 -1.860 14.613 1.00 10.00 S ATOM 535 CE MET A 38 19.100 -0.884 13.890 1.00 10.00 C ATOM 0 H MET A 38 13.386 -2.361 14.776 1.00 10.00 H new ATOM 0 HA MET A 38 15.176 -1.525 13.744 1.00 10.00 H new ATOM 0 HB2 MET A 38 15.935 -3.955 14.428 1.00 10.00 H new ATOM 0 HB3 MET A 38 15.821 -4.311 12.716 1.00 10.00 H new ATOM 0 HG2 MET A 38 18.100 -3.653 13.065 1.00 10.00 H new ATOM 0 HG3 MET A 38 17.339 -2.270 12.304 1.00 10.00 H new ATOM 0 HE1 MET A 38 19.492 -0.192 14.635 1.00 10.00 H new ATOM 0 HE2 MET A 38 19.900 -1.542 13.550 1.00 10.00 H new ATOM 0 HE3 MET A 38 18.708 -0.322 13.042 1.00 10.00 H new ATOM 545 N SER A 39 13.405 -1.666 11.550 1.00 10.00 N ATOM 546 CA SER A 39 13.124 -1.086 10.248 1.00 10.00 C ATOM 547 C SER A 39 12.009 -0.045 10.368 1.00 10.00 C ATOM 548 O SER A 39 11.090 -0.204 11.170 1.00 10.00 O ATOM 549 CB SER A 39 12.735 -2.165 9.236 1.00 10.00 C ATOM 550 OG SER A 39 13.812 -3.059 8.968 1.00 10.00 O ATOM 0 H SER A 39 12.637 -1.605 12.219 1.00 10.00 H new ATOM 0 HA SER A 39 14.030 -0.599 9.889 1.00 10.00 H new ATOM 0 HB2 SER A 39 11.883 -2.728 9.616 1.00 10.00 H new ATOM 0 HB3 SER A 39 12.416 -1.693 8.307 1.00 10.00 H new ATOM 0 HG SER A 39 14.615 -2.755 9.440 1.00 10.00 H new ATOM 556 N CYS A 40 12.127 0.998 9.560 1.00 10.00 N ATOM 557 CA CYS A 40 11.177 2.097 9.612 1.00 10.00 C ATOM 558 C CYS A 40 9.906 1.668 8.877 1.00 10.00 C ATOM 559 O CYS A 40 9.847 1.719 7.649 1.00 10.00 O ATOM 560 CB CYS A 40 11.767 3.383 9.029 1.00 10.00 C ATOM 561 SG CYS A 40 10.587 4.774 8.890 1.00 10.00 S ATOM 0 H CYS A 40 12.866 1.106 8.865 1.00 10.00 H new ATOM 0 HA CYS A 40 10.936 2.324 10.651 1.00 10.00 H new ATOM 0 HB2 CYS A 40 12.605 3.697 9.652 1.00 10.00 H new ATOM 0 HB3 CYS A 40 12.169 3.166 8.039 1.00 10.00 H new ATOM 566 N TYR A 41 8.919 1.254 9.659 1.00 10.00 N ATOM 567 CA TYR A 41 7.627 0.891 9.104 1.00 10.00 C ATOM 568 C TYR A 41 6.798 2.136 8.784 1.00 10.00 C ATOM 569 O TYR A 41 6.132 2.686 9.660 1.00 10.00 O ATOM 570 CB TYR A 41 6.913 0.084 10.191 1.00 10.00 C ATOM 571 CG TYR A 41 5.581 -0.521 9.743 1.00 10.00 C ATOM 572 CD1 TYR A 41 5.568 -1.602 8.886 1.00 10.00 C ATOM 573 CD2 TYR A 41 4.393 0.015 10.197 1.00 10.00 C ATOM 574 CE1 TYR A 41 4.314 -2.172 8.465 1.00 10.00 C ATOM 575 CE2 TYR A 41 3.139 -0.554 9.776 1.00 10.00 C ATOM 576 CZ TYR A 41 3.161 -1.620 8.930 1.00 10.00 C ATOM 577 OH TYR A 41 1.977 -2.157 8.532 1.00 10.00 O ATOM 0 H TYR A 41 8.989 1.162 10.672 1.00 10.00 H new ATOM 0 HA TYR A 41 7.752 0.329 8.179 1.00 10.00 H new ATOM 0 HB2 TYR A 41 7.571 -0.718 10.525 1.00 10.00 H new ATOM 0 HB3 TYR A 41 6.736 0.730 11.051 1.00 10.00 H new ATOM 0 HD1 TYR A 41 6.498 -2.021 8.531 1.00 10.00 H new ATOM 0 HD2 TYR A 41 4.404 0.861 10.868 1.00 10.00 H new ATOM 0 HE1 TYR A 41 4.290 -3.019 7.795 1.00 10.00 H new ATOM 0 HE2 TYR A 41 2.202 -0.144 10.124 1.00 10.00 H new ATOM 0 HH TYR A 41 1.238 -1.662 8.944 1.00 10.00 H new ATOM 587 N CYS A 42 6.867 2.546 7.525 1.00 10.00 N ATOM 588 CA CYS A 42 6.137 3.721 7.080 1.00 10.00 C ATOM 589 C CYS A 42 4.823 3.258 6.447 1.00 10.00 C ATOM 590 O CYS A 42 4.729 2.136 5.953 1.00 10.00 O ATOM 591 CB CYS A 42 6.967 4.570 6.115 1.00 10.00 C ATOM 592 SG CYS A 42 8.539 5.202 6.807 1.00 10.00 S ATOM 0 H CYS A 42 7.417 2.085 6.800 1.00 10.00 H new ATOM 0 HA CYS A 42 5.922 4.364 7.933 1.00 10.00 H new ATOM 0 HB2 CYS A 42 7.189 3.975 5.229 1.00 10.00 H new ATOM 0 HB3 CYS A 42 6.364 5.417 5.787 1.00 10.00 H new ATOM 597 N GLU A 43 3.841 4.148 6.482 1.00 10.00 N ATOM 598 CA GLU A 43 2.492 3.789 6.080 1.00 10.00 C ATOM 599 C GLU A 43 1.947 4.809 5.079 1.00 10.00 C ATOM 600 O GLU A 43 2.050 6.015 5.297 1.00 10.00 O ATOM 601 CB GLU A 43 1.571 3.669 7.296 1.00 10.00 C ATOM 602 CG GLU A 43 1.940 2.451 8.146 1.00 10.00 C ATOM 603 CD GLU A 43 1.033 2.344 9.373 1.00 10.00 C ATOM 604 OE1 GLU A 43 -0.067 1.779 9.283 1.00 10.00 O ATOM 605 OE2 GLU A 43 1.508 2.872 10.450 1.00 10.00 O ATOM 0 H GLU A 43 3.953 5.116 6.782 1.00 10.00 H new ATOM 0 HA GLU A 43 2.527 2.814 5.594 1.00 10.00 H new ATOM 0 HB2 GLU A 43 1.641 4.573 7.900 1.00 10.00 H new ATOM 0 HB3 GLU A 43 0.536 3.586 6.966 1.00 10.00 H new ATOM 0 HG2 GLU A 43 1.855 1.545 7.546 1.00 10.00 H new ATOM 0 HG3 GLU A 43 2.980 2.526 8.464 1.00 10.00 H new ATOM 613 N GLY A 44 1.379 4.288 4.001 1.00 10.00 N ATOM 614 CA GLY A 44 0.811 5.138 2.969 1.00 10.00 C ATOM 615 C GLY A 44 1.867 5.520 1.930 1.00 10.00 C ATOM 616 O GLY A 44 2.120 6.702 1.703 1.00 10.00 O ATOM 0 H GLY A 44 1.300 3.287 3.820 1.00 10.00 H new ATOM 0 HA2 GLY A 44 -0.014 4.620 2.480 1.00 10.00 H new ATOM 0 HA3 GLY A 44 0.399 6.040 3.422 1.00 10.00 H new ATOM 620 N LEU A 45 2.455 4.497 1.328 1.00 10.00 N ATOM 621 CA LEU A 45 3.497 4.710 0.338 1.00 10.00 C ATOM 622 C LEU A 45 2.860 4.848 -1.046 1.00 10.00 C ATOM 623 O LEU A 45 1.737 4.395 -1.264 1.00 10.00 O ATOM 624 CB LEU A 45 4.551 3.603 0.422 1.00 10.00 C ATOM 625 CG LEU A 45 5.536 3.702 1.588 1.00 10.00 C ATOM 626 CD1 LEU A 45 6.505 4.870 1.390 1.00 10.00 C ATOM 627 CD2 LEU A 45 4.796 3.791 2.925 1.00 10.00 C ATOM 0 H LEU A 45 2.230 3.518 1.507 1.00 10.00 H new ATOM 0 HA LEU A 45 4.028 5.640 0.539 1.00 10.00 H new ATOM 0 HB2 LEU A 45 4.037 2.644 0.487 1.00 10.00 H new ATOM 0 HB3 LEU A 45 5.119 3.598 -0.508 1.00 10.00 H new ATOM 0 HG LEU A 45 6.132 2.790 1.610 1.00 10.00 H new ATOM 0 HD11 LEU A 45 7.194 4.918 2.233 1.00 10.00 H new ATOM 0 HD12 LEU A 45 7.068 4.723 0.468 1.00 10.00 H new ATOM 0 HD13 LEU A 45 5.943 5.802 1.327 1.00 10.00 H new ATOM 0 HD21 LEU A 45 5.519 3.860 3.737 1.00 10.00 H new ATOM 0 HD22 LEU A 45 4.159 4.675 2.930 1.00 10.00 H new ATOM 0 HD23 LEU A 45 4.182 2.901 3.061 1.00 10.00 H new ATOM 639 N PRO A 46 3.624 5.492 -1.969 1.00 10.00 N ATOM 640 CA PRO A 46 3.364 5.343 -3.391 1.00 10.00 C ATOM 641 C PRO A 46 3.843 3.980 -3.895 1.00 10.00 C ATOM 642 O PRO A 46 4.723 3.366 -3.294 1.00 10.00 O ATOM 643 CB PRO A 46 4.089 6.507 -4.047 1.00 10.00 C ATOM 644 CG PRO A 46 5.105 6.995 -3.027 1.00 10.00 C ATOM 645 CD PRO A 46 4.750 6.376 -1.684 1.00 10.00 C ATOM 0 HA PRO A 46 2.301 5.368 -3.630 1.00 10.00 H new ATOM 0 HB2 PRO A 46 4.580 6.192 -4.967 1.00 10.00 H new ATOM 0 HB3 PRO A 46 3.391 7.301 -4.314 1.00 10.00 H new ATOM 0 HG2 PRO A 46 6.113 6.708 -3.325 1.00 10.00 H new ATOM 0 HG3 PRO A 46 5.089 8.083 -2.962 1.00 10.00 H new ATOM 0 HD2 PRO A 46 5.592 5.823 -1.268 1.00 10.00 H new ATOM 0 HD3 PRO A 46 4.479 7.140 -0.955 1.00 10.00 H new ATOM 653 N GLU A 47 3.243 3.548 -4.994 1.00 10.00 N ATOM 654 CA GLU A 47 3.474 2.203 -5.493 1.00 10.00 C ATOM 655 C GLU A 47 4.936 2.036 -5.912 1.00 10.00 C ATOM 656 O GLU A 47 5.493 0.944 -5.810 1.00 10.00 O ATOM 657 CB GLU A 47 2.531 1.879 -6.654 1.00 10.00 C ATOM 658 CG GLU A 47 1.107 1.630 -6.151 1.00 10.00 C ATOM 659 CD GLU A 47 0.998 0.266 -5.468 1.00 10.00 C ATOM 660 OE1 GLU A 47 0.444 0.169 -4.363 1.00 10.00 O ATOM 661 OE2 GLU A 47 1.513 -0.717 -6.127 1.00 10.00 O ATOM 0 H GLU A 47 2.597 4.105 -5.553 1.00 10.00 H new ATOM 0 HA GLU A 47 3.264 1.498 -4.689 1.00 10.00 H new ATOM 0 HB2 GLU A 47 2.530 2.703 -7.367 1.00 10.00 H new ATOM 0 HB3 GLU A 47 2.892 0.998 -7.186 1.00 10.00 H new ATOM 0 HG2 GLU A 47 0.822 2.415 -5.451 1.00 10.00 H new ATOM 0 HG3 GLU A 47 0.409 1.679 -6.986 1.00 10.00 H new ATOM 669 N ASN A 48 5.515 3.134 -6.373 1.00 10.00 N ATOM 670 CA ASN A 48 6.845 3.090 -6.957 1.00 10.00 C ATOM 671 C ASN A 48 7.879 2.905 -5.845 1.00 10.00 C ATOM 672 O ASN A 48 9.008 2.491 -6.105 1.00 10.00 O ATOM 673 CB ASN A 48 7.168 4.393 -7.691 1.00 10.00 C ATOM 674 CG ASN A 48 7.083 5.592 -6.744 1.00 10.00 C ATOM 675 OD1 ASN A 48 7.874 5.749 -5.828 1.00 10.00 O ATOM 676 ND2 ASN A 48 6.083 6.425 -7.014 1.00 10.00 N ATOM 0 H ASN A 48 5.088 4.060 -6.354 1.00 10.00 H new ATOM 0 HA ASN A 48 6.876 2.261 -7.664 1.00 10.00 H new ATOM 0 HB2 ASN A 48 8.168 4.334 -8.120 1.00 10.00 H new ATOM 0 HB3 ASN A 48 6.473 4.530 -8.520 1.00 10.00 H new ATOM 0 HD21 ASN A 48 5.942 7.255 -6.439 1.00 10.00 H new ATOM 0 HD22 ASN A 48 5.457 6.234 -7.796 1.00 10.00 H new ATOM 683 N ALA A 49 7.457 3.222 -4.629 1.00 10.00 N ATOM 684 CA ALA A 49 8.322 3.063 -3.472 1.00 10.00 C ATOM 685 C ALA A 49 8.206 1.631 -2.947 1.00 10.00 C ATOM 686 O ALA A 49 7.326 1.331 -2.141 1.00 10.00 O ATOM 687 CB ALA A 49 7.953 4.105 -2.414 1.00 10.00 C ATOM 0 H ALA A 49 6.528 3.588 -4.420 1.00 10.00 H new ATOM 0 HA ALA A 49 9.364 3.230 -3.745 1.00 10.00 H new ATOM 0 HB1 ALA A 49 8.601 3.987 -1.546 1.00 10.00 H new ATOM 0 HB2 ALA A 49 8.080 5.105 -2.828 1.00 10.00 H new ATOM 0 HB3 ALA A 49 6.915 3.966 -2.113 1.00 10.00 H new ATOM 693 N LYS A 50 9.107 0.785 -3.424 1.00 10.00 N ATOM 694 CA LYS A 50 9.090 -0.618 -3.046 1.00 10.00 C ATOM 695 C LYS A 50 9.270 -0.736 -1.531 1.00 10.00 C ATOM 696 O LYS A 50 10.106 -0.050 -0.946 1.00 10.00 O ATOM 697 CB LYS A 50 10.127 -1.402 -3.851 1.00 10.00 C ATOM 698 CG LYS A 50 10.039 -2.900 -3.548 1.00 10.00 C ATOM 699 CD LYS A 50 11.076 -3.309 -2.501 1.00 10.00 C ATOM 700 CE LYS A 50 10.987 -4.806 -2.196 1.00 10.00 C ATOM 701 NZ LYS A 50 11.840 -5.151 -1.038 1.00 10.00 N ATOM 0 H LYS A 50 9.854 1.044 -4.069 1.00 10.00 H new ATOM 0 HA LYS A 50 8.127 -1.066 -3.289 1.00 10.00 H new ATOM 0 HB2 LYS A 50 9.969 -1.233 -4.916 1.00 10.00 H new ATOM 0 HB3 LYS A 50 11.127 -1.038 -3.615 1.00 10.00 H new ATOM 0 HG2 LYS A 50 9.039 -3.144 -3.189 1.00 10.00 H new ATOM 0 HG3 LYS A 50 10.197 -3.470 -4.464 1.00 10.00 H new ATOM 0 HD2 LYS A 50 12.076 -3.066 -2.860 1.00 10.00 H new ATOM 0 HD3 LYS A 50 10.919 -2.738 -1.586 1.00 10.00 H new ATOM 0 HE2 LYS A 50 9.953 -5.080 -1.987 1.00 10.00 H new ATOM 0 HE3 LYS A 50 11.299 -5.380 -3.069 1.00 10.00 H new ATOM 0 HZ1 LYS A 50 11.768 -6.170 -0.845 1.00 10.00 H new ATOM 0 HZ2 LYS A 50 12.829 -4.908 -1.251 1.00 10.00 H new ATOM 0 HZ3 LYS A 50 11.524 -4.617 -0.203 1.00 10.00 H new ATOM 714 N VAL A 51 8.470 -1.611 -0.939 1.00 10.00 N ATOM 715 CA VAL A 51 8.573 -1.873 0.487 1.00 10.00 C ATOM 716 C VAL A 51 8.875 -3.356 0.708 1.00 10.00 C ATOM 717 O VAL A 51 8.405 -4.208 -0.044 1.00 10.00 O ATOM 718 CB VAL A 51 7.298 -1.410 1.196 1.00 10.00 C ATOM 719 CG1 VAL A 51 6.914 0.007 0.764 1.00 10.00 C ATOM 720 CG2 VAL A 51 6.148 -2.389 0.952 1.00 10.00 C ATOM 0 H VAL A 51 7.748 -2.147 -1.420 1.00 10.00 H new ATOM 0 HA VAL A 51 9.396 -1.306 0.922 1.00 10.00 H new ATOM 0 HB VAL A 51 7.499 -1.390 2.267 1.00 10.00 H new ATOM 0 HG11 VAL A 51 6.005 0.312 1.282 1.00 10.00 H new ATOM 0 HG12 VAL A 51 7.722 0.695 1.013 1.00 10.00 H new ATOM 0 HG13 VAL A 51 6.741 0.025 -0.312 1.00 10.00 H new ATOM 0 HG21 VAL A 51 5.254 -2.036 1.467 1.00 10.00 H new ATOM 0 HG22 VAL A 51 5.948 -2.456 -0.117 1.00 10.00 H new ATOM 0 HG23 VAL A 51 6.421 -3.373 1.332 1.00 10.00 H new ATOM 730 N SER A 52 9.658 -3.619 1.745 1.00 10.00 N ATOM 731 CA SER A 52 9.649 -4.928 2.376 1.00 10.00 C ATOM 732 C SER A 52 8.489 -5.023 3.368 1.00 10.00 C ATOM 733 O SER A 52 7.952 -4.004 3.800 1.00 10.00 O ATOM 734 CB SER A 52 10.977 -5.207 3.083 1.00 10.00 C ATOM 735 OG SER A 52 10.850 -6.220 4.077 1.00 10.00 O ATOM 0 H SER A 52 10.302 -2.948 2.163 1.00 10.00 H new ATOM 0 HA SER A 52 9.516 -5.681 1.599 1.00 10.00 H new ATOM 0 HB2 SER A 52 11.722 -5.512 2.348 1.00 10.00 H new ATOM 0 HB3 SER A 52 11.342 -4.289 3.545 1.00 10.00 H new ATOM 0 HG SER A 52 11.542 -6.901 3.941 1.00 10.00 H new ATOM 741 N ASP A 53 8.137 -6.255 3.702 1.00 10.00 N ATOM 742 CA ASP A 53 7.042 -6.497 4.627 1.00 10.00 C ATOM 743 C ASP A 53 7.336 -7.759 5.440 1.00 10.00 C ATOM 744 O ASP A 53 6.423 -8.510 5.780 1.00 10.00 O ATOM 745 CB ASP A 53 5.726 -6.713 3.878 1.00 10.00 C ATOM 746 CG ASP A 53 5.720 -7.896 2.908 1.00 10.00 C ATOM 747 OD1 ASP A 53 6.781 -8.400 2.509 1.00 10.00 O ATOM 748 OD2 ASP A 53 4.549 -8.307 2.556 1.00 10.00 O ATOM 0 H ASP A 53 8.591 -7.098 3.349 1.00 10.00 H new ATOM 0 HA ASP A 53 6.949 -5.625 5.275 1.00 10.00 H new ATOM 0 HB2 ASP A 53 4.929 -6.857 4.608 1.00 10.00 H new ATOM 0 HB3 ASP A 53 5.489 -5.806 3.322 1.00 10.00 H new ATOM 754 N SER A 54 8.614 -7.953 5.729 1.00 10.00 N ATOM 755 CA SER A 54 9.045 -9.133 6.461 1.00 10.00 C ATOM 756 C SER A 54 10.436 -8.902 7.054 1.00 10.00 C ATOM 757 O SER A 54 11.416 -9.488 6.596 1.00 10.00 O ATOM 758 CB SER A 54 9.051 -10.369 5.559 1.00 10.00 C ATOM 759 OG SER A 54 9.677 -10.111 4.305 1.00 10.00 O ATOM 0 H SER A 54 9.365 -7.314 5.470 1.00 10.00 H new ATOM 0 HA SER A 54 8.337 -9.311 7.270 1.00 10.00 H new ATOM 0 HB2 SER A 54 9.571 -11.183 6.063 1.00 10.00 H new ATOM 0 HB3 SER A 54 8.026 -10.701 5.391 1.00 10.00 H new ATOM 0 HG SER A 54 10.464 -9.544 4.443 1.00 10.00 H new ATOM 765 N ALA A 55 10.479 -8.046 8.064 1.00 10.00 N ATOM 766 CA ALA A 55 11.671 -7.915 8.885 1.00 10.00 C ATOM 767 C ALA A 55 12.875 -7.624 7.985 1.00 10.00 C ATOM 768 O ALA A 55 13.854 -8.368 7.993 1.00 10.00 O ATOM 769 CB ALA A 55 11.859 -9.185 9.718 1.00 10.00 C ATOM 0 H ALA A 55 9.707 -7.436 8.333 1.00 10.00 H new ATOM 0 HA ALA A 55 11.569 -7.081 9.580 1.00 10.00 H new ATOM 0 HB1 ALA A 55 12.753 -9.087 10.334 1.00 10.00 H new ATOM 0 HB2 ALA A 55 10.990 -9.331 10.360 1.00 10.00 H new ATOM 0 HB3 ALA A 55 11.968 -10.043 9.054 1.00 10.00 H new ATOM 775 N THR A 56 12.761 -6.541 7.231 1.00 10.00 N ATOM 776 CA THR A 56 13.900 -6.020 6.494 1.00 10.00 C ATOM 777 C THR A 56 14.161 -6.868 5.248 1.00 10.00 C ATOM 778 O THR A 56 13.941 -6.414 4.126 1.00 10.00 O ATOM 779 CB THR A 56 15.094 -5.959 7.449 1.00 10.00 C ATOM 780 OG1 THR A 56 14.524 -5.557 8.692 1.00 10.00 O ATOM 781 CG2 THR A 56 16.064 -4.828 7.101 1.00 10.00 C ATOM 0 H THR A 56 11.898 -6.010 7.114 1.00 10.00 H new ATOM 0 HA THR A 56 13.707 -5.012 6.128 1.00 10.00 H new ATOM 0 HB THR A 56 15.624 -6.911 7.429 1.00 10.00 H new ATOM 0 HG1 THR A 56 14.380 -4.588 8.687 1.00 10.00 H new ATOM 0 HG21 THR A 56 16.893 -4.829 7.809 1.00 10.00 H new ATOM 0 HG22 THR A 56 16.448 -4.976 6.092 1.00 10.00 H new ATOM 0 HG23 THR A 56 15.543 -3.872 7.154 1.00 10.00 H new ATOM 789 N ASN A 57 14.628 -8.085 5.486 1.00 10.00 N ATOM 790 CA ASN A 57 15.182 -8.897 4.417 1.00 10.00 C ATOM 791 C ASN A 57 15.868 -7.988 3.395 1.00 10.00 C ATOM 792 O ASN A 57 15.617 -8.096 2.196 1.00 10.00 O ATOM 793 CB ASN A 57 14.083 -9.678 3.692 1.00 10.00 C ATOM 794 CG ASN A 57 12.994 -8.738 3.172 1.00 10.00 C ATOM 795 OD1 ASN A 57 11.994 -8.543 4.028 1.00 10.00 O flip ATOM 796 ND2 ASN A 57 13.057 -8.223 2.068 1.00 10.00 N flip ATOM 0 H ASN A 57 14.634 -8.528 6.405 1.00 10.00 H new ATOM 0 HA ASN A 57 15.891 -9.597 4.859 1.00 10.00 H new ATOM 0 HB2 ASN A 57 14.516 -10.234 2.860 1.00 10.00 H new ATOM 0 HB3 ASN A 57 13.644 -10.409 4.370 1.00 10.00 H new ATOM 0 HD21 ASN A 57 13.853 -8.415 1.460 1.00 10.00 H new ATOM 0 HD22 ASN A 57 12.313 -7.600 1.753 1.00 10.00 H new ATOM 803 N ILE A 58 16.720 -7.113 3.908 1.00 10.00 N ATOM 804 CA ILE A 58 17.505 -6.242 3.050 1.00 10.00 C ATOM 805 C ILE A 58 18.776 -5.815 3.788 1.00 10.00 C ATOM 806 O ILE A 58 18.858 -5.937 5.009 1.00 10.00 O ATOM 807 CB ILE A 58 16.657 -5.068 2.558 1.00 10.00 C ATOM 808 CG1 ILE A 58 16.526 -5.086 1.033 1.00 10.00 C ATOM 809 CG2 ILE A 58 17.212 -3.737 3.070 1.00 10.00 C ATOM 810 CD1 ILE A 58 15.434 -4.122 0.565 1.00 10.00 C ATOM 0 H ILE A 58 16.884 -6.988 4.907 1.00 10.00 H new ATOM 0 HA ILE A 58 17.820 -6.776 2.153 1.00 10.00 H new ATOM 0 HB ILE A 58 15.653 -5.177 2.968 1.00 10.00 H new ATOM 0 HG12 ILE A 58 17.478 -4.810 0.579 1.00 10.00 H new ATOM 0 HG13 ILE A 58 16.293 -6.096 0.696 1.00 10.00 H new ATOM 0 HG21 ILE A 58 16.590 -2.919 2.705 1.00 10.00 H new ATOM 0 HG22 ILE A 58 17.209 -3.737 4.160 1.00 10.00 H new ATOM 0 HG23 ILE A 58 18.232 -3.606 2.710 1.00 10.00 H new ATOM 0 HD11 ILE A 58 15.362 -4.154 -0.522 1.00 10.00 H new ATOM 0 HD12 ILE A 58 14.479 -4.415 1.001 1.00 10.00 H new ATOM 0 HD13 ILE A 58 15.682 -3.109 0.882 1.00 10.00 H new