USER MOD reduce.3.24.130724 H: found=0, std=0, add=429, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 428 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 43 ASN : amide:sc= -4.67! C(o=-3.4!,f=-5.9!) USER MOD Set 1.2: A 48 THR OG1 : rot 127:sc= 0.0356 USER MOD Set 1.3: A 50 THR OG1 : rot -75:sc= 1.28 USER MOD Set 2.1: A 31 GLN : amide:sc= 0.73 K(o=1.6,f=-1.3!) USER MOD Set 2.2: A 33 TYR OH : rot -93:sc= 0.833 USER MOD Single : A 4 MET CE :methyl -143:sc= -0.184 (180deg=-1.23) USER MOD Single : A 6 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0898) USER MOD Single : A 8 TYR OH : rot 76:sc= -6.43! USER MOD Single : A 16 TYR OH : rot 179:sc= -1.02! USER MOD Single : A 20 LYS NZ :NH3+ -162:sc= -0.0328 (180deg=-0.355) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -0.311 X(o=-0.31,f=-0.4) USER MOD Single : A 35 ASN : amide:sc= -7.2! C(o=-7.2!,f=-19!) USER MOD Single : A 38 MET CE :methyl -152:sc= -0.246 (180deg=-1.5!) USER MOD Single : A 41 HIS : no HE2:sc= -0.107 K(o=-0.11,f=-4.3!) USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 49 ASN : amide:sc= -0.0793 K(o=-0.079,f=-2.5!) USER MOD Single : A 51 HIS : no HD1:sc= -0.391 K(o=-0.39,f=-0.93) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 41 N MET A 4 -15.204 -8.280 5.406 1.00 0.00 N ATOM 42 CA MET A 4 -16.531 -7.645 5.630 1.00 0.00 C ATOM 43 C MET A 4 -16.313 -6.230 6.164 1.00 0.00 C ATOM 44 O MET A 4 -17.132 -5.350 5.982 1.00 0.00 O ATOM 45 CB MET A 4 -17.324 -8.460 6.654 1.00 0.00 C ATOM 46 CG MET A 4 -17.618 -9.848 6.084 1.00 0.00 C ATOM 47 SD MET A 4 -18.716 -10.743 7.211 1.00 0.00 S ATOM 48 CE MET A 4 -17.580 -10.833 8.616 1.00 0.00 C ATOM 0 HA MET A 4 -17.088 -7.609 4.694 1.00 0.00 H new ATOM 0 HB2 MET A 4 -16.758 -8.548 7.581 1.00 0.00 H new ATOM 0 HB3 MET A 4 -18.256 -7.950 6.897 1.00 0.00 H new ATOM 0 HG2 MET A 4 -18.082 -9.759 5.102 1.00 0.00 H new ATOM 0 HG3 MET A 4 -16.689 -10.402 5.948 1.00 0.00 H new ATOM 0 HE1 MET A 4 -17.699 -11.792 9.119 1.00 0.00 H new ATOM 0 HE2 MET A 4 -16.554 -10.734 8.261 1.00 0.00 H new ATOM 0 HE3 MET A 4 -17.801 -10.026 9.315 1.00 0.00 H new ATOM 58 N CYS A 5 -15.207 -6.007 6.818 1.00 0.00 N ATOM 59 CA CYS A 5 -14.920 -4.652 7.362 1.00 0.00 C ATOM 60 C CYS A 5 -14.381 -3.763 6.240 1.00 0.00 C ATOM 61 O CYS A 5 -14.308 -2.557 6.366 1.00 0.00 O ATOM 62 CB CYS A 5 -13.874 -4.761 8.473 1.00 0.00 C ATOM 63 SG CYS A 5 -14.352 -6.061 9.628 1.00 0.00 S ATOM 0 H CYS A 5 -14.488 -6.707 6.999 1.00 0.00 H new ATOM 0 HA CYS A 5 -15.834 -4.218 7.766 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -12.896 -4.982 8.045 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -13.785 -3.809 8.997 1.00 0.00 H new ATOM 68 N LYS A 6 -13.996 -4.353 5.144 1.00 0.00 N ATOM 69 CA LYS A 6 -13.460 -3.548 4.012 1.00 0.00 C ATOM 70 C LYS A 6 -14.620 -2.951 3.210 1.00 0.00 C ATOM 71 O LYS A 6 -14.422 -2.368 2.162 1.00 0.00 O ATOM 72 CB LYS A 6 -12.623 -4.447 3.101 1.00 0.00 C ATOM 73 CG LYS A 6 -11.576 -5.186 3.936 1.00 0.00 C ATOM 74 CD LYS A 6 -10.508 -5.768 3.009 1.00 0.00 C ATOM 75 CE LYS A 6 -9.433 -6.465 3.845 1.00 0.00 C ATOM 76 NZ LYS A 6 -8.559 -5.442 4.485 1.00 0.00 N ATOM 0 H LYS A 6 -14.029 -5.360 4.983 1.00 0.00 H new ATOM 0 HA LYS A 6 -12.838 -2.743 4.403 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -13.266 -5.162 2.588 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -12.134 -3.849 2.332 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -11.119 -4.504 4.653 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -12.049 -5.983 4.510 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -10.960 -6.476 2.315 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -10.061 -4.975 2.409 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -9.899 -7.089 4.608 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -8.837 -7.124 3.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -7.716 -5.905 4.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -8.267 -4.741 3.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -9.083 -4.965 5.246 1.00 0.00 H new ATOM 90 N ASP A 7 -15.829 -3.099 3.682 1.00 0.00 N ATOM 91 CA ASP A 7 -16.990 -2.545 2.927 1.00 0.00 C ATOM 92 C ASP A 7 -17.997 -1.907 3.892 1.00 0.00 C ATOM 93 O ASP A 7 -19.125 -1.638 3.528 1.00 0.00 O ATOM 94 CB ASP A 7 -17.679 -3.675 2.159 1.00 0.00 C ATOM 95 CG ASP A 7 -16.799 -4.113 0.985 1.00 0.00 C ATOM 96 OD1 ASP A 7 -15.886 -3.377 0.646 1.00 0.00 O ATOM 97 OD2 ASP A 7 -17.052 -5.179 0.446 1.00 0.00 O ATOM 0 H ASP A 7 -16.062 -3.577 4.553 1.00 0.00 H new ATOM 0 HA ASP A 7 -16.630 -1.785 2.233 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -17.863 -4.520 2.823 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -18.650 -3.340 1.793 1.00 0.00 H new ATOM 102 N TYR A 8 -17.610 -1.659 5.114 1.00 0.00 N ATOM 103 CA TYR A 8 -18.567 -1.036 6.075 1.00 0.00 C ATOM 104 C TYR A 8 -17.960 0.253 6.641 1.00 0.00 C ATOM 105 O TYR A 8 -16.757 0.397 6.728 1.00 0.00 O ATOM 106 CB TYR A 8 -18.888 -2.032 7.207 1.00 0.00 C ATOM 107 CG TYR A 8 -17.934 -1.853 8.370 1.00 0.00 C ATOM 108 CD1 TYR A 8 -16.562 -2.055 8.186 1.00 0.00 C ATOM 109 CD2 TYR A 8 -18.424 -1.484 9.628 1.00 0.00 C ATOM 110 CE1 TYR A 8 -15.679 -1.889 9.259 1.00 0.00 C ATOM 111 CE2 TYR A 8 -17.542 -1.318 10.702 1.00 0.00 C ATOM 112 CZ TYR A 8 -16.168 -1.520 10.518 1.00 0.00 C ATOM 113 OH TYR A 8 -15.298 -1.357 11.577 1.00 0.00 O ATOM 0 H TYR A 8 -16.682 -1.858 5.487 1.00 0.00 H new ATOM 0 HA TYR A 8 -19.495 -0.787 5.560 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -19.913 -1.885 7.546 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -18.820 -3.052 6.829 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -16.184 -2.339 7.215 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -19.483 -1.327 9.770 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -14.620 -2.046 9.116 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -17.921 -1.034 11.673 1.00 0.00 H new ATOM 0 HH TYR A 8 -14.820 -0.507 11.480 1.00 0.00 H new ATOM 123 N ARG A 9 -18.784 1.186 7.028 1.00 0.00 N ATOM 124 CA ARG A 9 -18.257 2.461 7.590 1.00 0.00 C ATOM 125 C ARG A 9 -18.971 2.766 8.907 1.00 0.00 C ATOM 126 O ARG A 9 -20.180 2.688 9.002 1.00 0.00 O ATOM 127 CB ARG A 9 -18.504 3.600 6.599 1.00 0.00 C ATOM 128 CG ARG A 9 -17.451 3.549 5.490 1.00 0.00 C ATOM 129 CD ARG A 9 -17.530 4.827 4.651 1.00 0.00 C ATOM 130 NE ARG A 9 -18.943 5.076 4.253 1.00 0.00 N ATOM 131 CZ ARG A 9 -19.646 4.120 3.709 1.00 0.00 C ATOM 132 NH1 ARG A 9 -19.051 3.168 3.043 1.00 0.00 N ATOM 133 NH2 ARG A 9 -20.946 4.117 3.829 1.00 0.00 N ATOM 0 H ARG A 9 -19.801 1.121 6.979 1.00 0.00 H new ATOM 0 HA ARG A 9 -17.186 2.365 7.768 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -19.503 3.514 6.171 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -18.460 4.560 7.113 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -16.456 3.447 5.923 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -17.615 2.676 4.858 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -17.148 5.673 5.222 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -16.903 4.731 3.764 1.00 0.00 H new ATOM 0 HE ARG A 9 -19.362 5.994 4.405 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -18.036 3.170 2.947 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -19.602 2.422 2.618 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -21.412 4.861 4.348 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -21.496 3.370 3.404 1.00 0.00 H new ATOM 147 N VAL A 10 -18.235 3.112 9.927 1.00 0.00 N ATOM 148 CA VAL A 10 -18.877 3.419 11.235 1.00 0.00 C ATOM 149 C VAL A 10 -18.474 4.825 11.683 1.00 0.00 C ATOM 150 O VAL A 10 -17.376 5.278 11.430 1.00 0.00 O ATOM 151 CB VAL A 10 -18.423 2.394 12.277 1.00 0.00 C ATOM 152 CG1 VAL A 10 -18.885 2.840 13.666 1.00 0.00 C ATOM 153 CG2 VAL A 10 -19.035 1.030 11.949 1.00 0.00 C ATOM 0 H VAL A 10 -17.219 3.195 9.911 1.00 0.00 H new ATOM 0 HA VAL A 10 -19.961 3.372 11.131 1.00 0.00 H new ATOM 0 HB VAL A 10 -17.336 2.318 12.263 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -18.562 2.110 14.409 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -18.450 3.812 13.899 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -19.972 2.916 13.681 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -18.713 0.299 12.690 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -20.122 1.106 11.963 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -18.707 0.712 10.959 1.00 0.00 H new ATOM 163 N LEU A 11 -19.357 5.521 12.344 1.00 0.00 N ATOM 164 CA LEU A 11 -19.032 6.899 12.806 1.00 0.00 C ATOM 165 C LEU A 11 -19.263 6.995 14.315 1.00 0.00 C ATOM 166 O LEU A 11 -19.724 6.062 14.941 1.00 0.00 O ATOM 167 CB LEU A 11 -19.935 7.897 12.081 1.00 0.00 C ATOM 168 CG LEU A 11 -19.086 8.774 11.158 1.00 0.00 C ATOM 169 CD1 LEU A 11 -18.933 8.089 9.799 1.00 0.00 C ATOM 170 CD2 LEU A 11 -19.770 10.131 10.976 1.00 0.00 C ATOM 0 H LEU A 11 -20.293 5.193 12.585 1.00 0.00 H new ATOM 0 HA LEU A 11 -17.989 7.127 12.586 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -20.691 7.366 11.502 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -20.464 8.517 12.804 1.00 0.00 H new ATOM 0 HG LEU A 11 -18.100 8.921 11.600 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -18.328 8.714 9.142 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -18.445 7.123 9.931 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -19.917 7.940 9.354 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -19.167 10.757 10.319 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -20.756 9.985 10.534 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -19.875 10.618 11.945 1.00 0.00 H new ATOM 182 N PRO A 12 -18.936 8.152 14.911 1.00 0.00 N ATOM 183 CA PRO A 12 -19.108 8.376 16.353 1.00 0.00 C ATOM 184 C PRO A 12 -20.586 8.416 16.746 1.00 0.00 C ATOM 185 O PRO A 12 -20.942 8.181 17.883 1.00 0.00 O ATOM 186 CB PRO A 12 -18.466 9.745 16.580 1.00 0.00 C ATOM 187 CG PRO A 12 -18.551 10.419 15.254 1.00 0.00 C ATOM 188 CD PRO A 12 -18.375 9.333 14.232 1.00 0.00 C ATOM 0 HA PRO A 12 -18.663 7.579 16.950 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -18.995 10.310 17.347 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -17.432 9.649 16.911 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -19.511 10.920 15.131 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -17.778 11.181 15.152 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -18.906 9.558 13.307 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -17.327 9.189 13.971 1.00 0.00 H new ATOM 196 N ARG A 13 -21.448 8.711 15.813 1.00 0.00 N ATOM 197 CA ARG A 13 -22.902 8.764 16.134 1.00 0.00 C ATOM 198 C ARG A 13 -23.587 7.500 15.610 1.00 0.00 C ATOM 199 O ARG A 13 -24.636 7.110 16.082 1.00 0.00 O ATOM 200 CB ARG A 13 -23.526 9.991 15.471 1.00 0.00 C ATOM 201 CG ARG A 13 -25.007 10.075 15.850 1.00 0.00 C ATOM 202 CD ARG A 13 -25.685 11.164 15.017 1.00 0.00 C ATOM 203 NE ARG A 13 -27.100 11.315 15.456 1.00 0.00 N ATOM 204 CZ ARG A 13 -28.062 10.783 14.752 1.00 0.00 C ATOM 205 NH1 ARG A 13 -28.515 9.598 15.056 1.00 0.00 N ATOM 206 NH2 ARG A 13 -28.569 11.437 13.744 1.00 0.00 N ATOM 0 H ARG A 13 -21.209 8.917 14.843 1.00 0.00 H new ATOM 0 HA ARG A 13 -23.032 8.828 17.214 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -23.006 10.894 15.790 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -23.419 9.927 14.388 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -25.493 9.115 15.677 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -25.110 10.298 16.912 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -25.154 12.109 15.133 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -25.647 10.904 13.959 1.00 0.00 H new ATOM 0 HE ARG A 13 -27.317 11.834 16.307 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -28.118 9.087 15.844 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -29.267 9.183 14.506 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -28.214 12.363 13.506 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -29.321 11.022 13.193 1.00 0.00 H new ATOM 220 N ILE A 14 -23.001 6.855 14.638 1.00 0.00 N ATOM 221 CA ILE A 14 -23.621 5.618 14.086 1.00 0.00 C ATOM 222 C ILE A 14 -23.184 4.413 14.922 1.00 0.00 C ATOM 223 O ILE A 14 -23.998 3.630 15.369 1.00 0.00 O ATOM 224 CB ILE A 14 -23.169 5.426 12.637 1.00 0.00 C ATOM 225 CG1 ILE A 14 -23.590 6.638 11.806 1.00 0.00 C ATOM 226 CG2 ILE A 14 -23.819 4.165 12.063 1.00 0.00 C ATOM 227 CD1 ILE A 14 -25.088 6.890 11.994 1.00 0.00 C ATOM 0 H ILE A 14 -22.121 7.131 14.203 1.00 0.00 H new ATOM 0 HA ILE A 14 -24.707 5.708 14.119 1.00 0.00 H new ATOM 0 HB ILE A 14 -22.084 5.323 12.606 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -23.021 7.517 12.111 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -23.369 6.465 10.753 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -23.497 4.028 11.031 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -23.520 3.300 12.655 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -24.904 4.268 12.094 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -25.389 7.754 11.402 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -25.648 6.014 11.668 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -25.295 7.082 13.047 1.00 0.00 H new ATOM 239 N GLY A 15 -21.907 4.257 15.134 1.00 0.00 N ATOM 240 CA GLY A 15 -21.422 3.100 15.940 1.00 0.00 C ATOM 241 C GLY A 15 -21.359 1.856 15.053 1.00 0.00 C ATOM 242 O GLY A 15 -21.378 1.945 13.840 1.00 0.00 O ATOM 0 H GLY A 15 -21.178 4.879 14.785 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -20.436 3.317 16.352 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -22.089 2.925 16.784 1.00 0.00 H new ATOM 246 N TYR A 16 -21.283 0.695 15.644 1.00 0.00 N ATOM 247 CA TYR A 16 -21.220 -0.551 14.827 1.00 0.00 C ATOM 248 C TYR A 16 -22.607 -1.188 14.760 1.00 0.00 C ATOM 249 O TYR A 16 -23.409 -1.054 15.663 1.00 0.00 O ATOM 250 CB TYR A 16 -20.237 -1.534 15.467 1.00 0.00 C ATOM 251 CG TYR A 16 -19.528 -2.311 14.383 1.00 0.00 C ATOM 252 CD1 TYR A 16 -20.230 -3.257 13.626 1.00 0.00 C ATOM 253 CD2 TYR A 16 -18.168 -2.088 14.137 1.00 0.00 C ATOM 254 CE1 TYR A 16 -19.573 -3.978 12.622 1.00 0.00 C ATOM 255 CE2 TYR A 16 -17.511 -2.809 13.134 1.00 0.00 C ATOM 256 CZ TYR A 16 -18.213 -3.755 12.376 1.00 0.00 C ATOM 257 OH TYR A 16 -17.564 -4.466 11.386 1.00 0.00 O ATOM 0 H TYR A 16 -21.262 0.555 16.654 1.00 0.00 H new ATOM 0 HA TYR A 16 -20.884 -0.307 13.819 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -19.512 -0.995 16.077 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -20.768 -2.216 16.131 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -21.279 -3.430 13.817 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -17.626 -1.359 14.721 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -20.115 -4.706 12.037 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -16.462 -2.636 12.944 1.00 0.00 H new ATOM 0 HH TYR A 16 -16.629 -4.178 11.336 1.00 0.00 H new ATOM 267 N LEU A 17 -22.899 -1.881 13.693 1.00 0.00 N ATOM 268 CA LEU A 17 -24.235 -2.525 13.563 1.00 0.00 C ATOM 269 C LEU A 17 -24.069 -4.044 13.475 1.00 0.00 C ATOM 270 O LEU A 17 -23.620 -4.572 12.478 1.00 0.00 O ATOM 271 CB LEU A 17 -24.923 -2.014 12.297 1.00 0.00 C ATOM 272 CG LEU A 17 -26.345 -2.573 12.226 1.00 0.00 C ATOM 273 CD1 LEU A 17 -27.046 -2.359 13.568 1.00 0.00 C ATOM 274 CD2 LEU A 17 -27.121 -1.851 11.123 1.00 0.00 C ATOM 0 H LEU A 17 -22.268 -2.029 12.905 1.00 0.00 H new ATOM 0 HA LEU A 17 -24.842 -2.279 14.434 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -24.949 -0.924 12.300 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -24.358 -2.317 11.416 1.00 0.00 H new ATOM 0 HG LEU A 17 -26.306 -3.640 12.004 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -28.059 -2.757 13.517 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -26.493 -2.874 14.354 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -27.086 -1.293 13.792 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -28.135 -2.248 11.071 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -27.160 -0.784 11.344 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -26.622 -2.005 10.166 1.00 0.00 H new ATOM 286 N CYS A 18 -24.431 -4.750 14.510 1.00 0.00 N ATOM 287 CA CYS A 18 -24.300 -6.234 14.488 1.00 0.00 C ATOM 288 C CYS A 18 -25.685 -6.865 14.634 1.00 0.00 C ATOM 289 O CYS A 18 -26.598 -6.263 15.164 1.00 0.00 O ATOM 290 CB CYS A 18 -23.405 -6.685 15.643 1.00 0.00 C ATOM 291 SG CYS A 18 -21.808 -5.845 15.525 1.00 0.00 S ATOM 0 H CYS A 18 -24.813 -4.362 15.373 1.00 0.00 H new ATOM 0 HA CYS A 18 -23.855 -6.548 13.544 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -23.880 -6.456 16.597 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -23.264 -7.765 15.609 1.00 0.00 H new ATOM 296 N PRO A 19 -25.840 -8.103 14.151 1.00 0.00 N ATOM 297 CA PRO A 19 -27.112 -8.826 14.222 1.00 0.00 C ATOM 298 C PRO A 19 -27.425 -9.280 15.649 1.00 0.00 C ATOM 299 O PRO A 19 -26.579 -9.243 16.521 1.00 0.00 O ATOM 300 CB PRO A 19 -26.888 -10.040 13.323 1.00 0.00 C ATOM 301 CG PRO A 19 -25.410 -10.249 13.326 1.00 0.00 C ATOM 302 CD PRO A 19 -24.781 -8.893 13.499 1.00 0.00 C ATOM 0 HA PRO A 19 -27.954 -8.205 13.915 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -27.412 -10.916 13.704 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -27.260 -9.859 12.314 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -25.116 -10.918 14.135 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -25.083 -10.711 12.395 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -23.882 -8.943 14.113 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -24.489 -8.461 12.542 1.00 0.00 H new ATOM 310 N LYS A 20 -28.633 -9.706 15.896 1.00 0.00 N ATOM 311 CA LYS A 20 -28.995 -10.159 17.267 1.00 0.00 C ATOM 312 C LYS A 20 -28.555 -11.612 17.454 1.00 0.00 C ATOM 313 O LYS A 20 -28.217 -12.035 18.541 1.00 0.00 O ATOM 314 CB LYS A 20 -30.509 -10.056 17.458 1.00 0.00 C ATOM 315 CG LYS A 20 -30.844 -10.177 18.946 1.00 0.00 C ATOM 316 CD LYS A 20 -32.353 -10.018 19.144 1.00 0.00 C ATOM 317 CE LYS A 20 -32.681 -10.099 20.636 1.00 0.00 C ATOM 318 NZ LYS A 20 -32.398 -11.475 21.133 1.00 0.00 N ATOM 0 H LYS A 20 -29.384 -9.760 15.208 1.00 0.00 H new ATOM 0 HA LYS A 20 -28.494 -9.528 18.002 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -30.872 -9.105 17.069 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -31.012 -10.843 16.896 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -30.517 -11.145 19.326 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -30.310 -9.415 19.513 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -32.685 -9.062 18.739 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -32.886 -10.798 18.600 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -32.087 -9.372 21.190 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -33.729 -9.849 20.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -32.891 -11.626 22.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -32.732 -12.171 20.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -31.374 -11.590 21.274 1.00 0.00 H new ATOM 332 N ASP A 21 -28.556 -12.380 16.399 1.00 0.00 N ATOM 333 CA ASP A 21 -28.137 -13.804 16.515 1.00 0.00 C ATOM 334 C ASP A 21 -26.714 -13.875 17.074 1.00 0.00 C ATOM 335 O ASP A 21 -25.804 -13.255 16.561 1.00 0.00 O ATOM 336 CB ASP A 21 -28.172 -14.458 15.133 1.00 0.00 C ATOM 337 CG ASP A 21 -29.535 -14.209 14.486 1.00 0.00 C ATOM 338 OD1 ASP A 21 -30.446 -13.821 15.199 1.00 0.00 O ATOM 339 OD2 ASP A 21 -29.646 -14.411 13.288 1.00 0.00 O ATOM 0 H ASP A 21 -28.829 -12.082 15.462 1.00 0.00 H new ATOM 0 HA ASP A 21 -28.817 -14.329 17.186 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -27.380 -14.050 14.506 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -27.989 -15.529 15.221 1.00 0.00 H new ATOM 344 N LEU A 22 -26.516 -14.628 18.121 1.00 0.00 N ATOM 345 CA LEU A 22 -25.152 -14.741 18.709 1.00 0.00 C ATOM 346 C LEU A 22 -24.391 -15.870 18.013 1.00 0.00 C ATOM 347 O LEU A 22 -24.783 -17.020 18.064 1.00 0.00 O ATOM 348 CB LEU A 22 -25.265 -15.046 20.204 1.00 0.00 C ATOM 349 CG LEU A 22 -23.865 -15.227 20.796 1.00 0.00 C ATOM 350 CD1 LEU A 22 -23.067 -13.932 20.622 1.00 0.00 C ATOM 351 CD2 LEU A 22 -23.980 -15.558 22.285 1.00 0.00 C ATOM 0 H LEU A 22 -27.239 -15.169 18.594 1.00 0.00 H new ATOM 0 HA LEU A 22 -24.616 -13.802 18.570 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -25.784 -14.234 20.713 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -25.856 -15.949 20.358 1.00 0.00 H new ATOM 0 HG LEU A 22 -23.355 -16.041 20.281 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -22.070 -14.060 21.043 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -22.985 -13.695 19.561 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -23.577 -13.118 21.137 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -22.983 -15.687 22.707 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -24.490 -14.744 22.800 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -24.549 -16.479 22.410 1.00 0.00 H new ATOM 363 N LYS A 23 -23.307 -15.553 17.359 1.00 0.00 N ATOM 364 CA LYS A 23 -22.524 -16.608 16.656 1.00 0.00 C ATOM 365 C LYS A 23 -21.070 -16.564 17.129 1.00 0.00 C ATOM 366 O LYS A 23 -20.297 -15.726 16.712 1.00 0.00 O ATOM 367 CB LYS A 23 -22.583 -16.360 15.148 1.00 0.00 C ATOM 368 CG LYS A 23 -23.648 -17.260 14.529 1.00 0.00 C ATOM 369 CD LYS A 23 -23.076 -17.949 13.289 1.00 0.00 C ATOM 370 CE LYS A 23 -24.212 -18.272 12.315 1.00 0.00 C ATOM 371 NZ LYS A 23 -24.631 -19.690 12.498 1.00 0.00 N ATOM 0 H LYS A 23 -22.930 -14.609 17.281 1.00 0.00 H new ATOM 0 HA LYS A 23 -22.945 -17.588 16.880 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -22.815 -15.314 14.949 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -21.612 -16.563 14.696 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -23.975 -18.005 15.254 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -24.525 -16.671 14.259 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -22.342 -17.303 12.807 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -22.557 -18.864 13.575 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -25.057 -17.606 12.490 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -23.884 -18.108 11.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -25.403 -19.912 11.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -23.823 -20.318 12.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -24.960 -19.832 13.474 1.00 0.00 H new ATOM 385 N PRO A 24 -20.698 -17.493 18.022 1.00 0.00 N ATOM 386 CA PRO A 24 -19.337 -17.572 18.575 1.00 0.00 C ATOM 387 C PRO A 24 -18.297 -17.908 17.508 1.00 0.00 C ATOM 388 O PRO A 24 -18.347 -18.945 16.883 1.00 0.00 O ATOM 389 CB PRO A 24 -19.434 -18.709 19.595 1.00 0.00 C ATOM 390 CG PRO A 24 -20.582 -19.532 19.120 1.00 0.00 C ATOM 391 CD PRO A 24 -21.569 -18.552 18.557 1.00 0.00 C ATOM 0 HA PRO A 24 -19.016 -16.622 19.001 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -18.514 -19.292 19.630 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -19.607 -18.327 20.601 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -20.265 -20.249 18.363 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -21.020 -20.105 19.938 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -22.187 -19.000 17.779 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -22.246 -18.172 19.323 1.00 0.00 H new ATOM 399 N VAL A 25 -17.353 -17.035 17.294 1.00 0.00 N ATOM 400 CA VAL A 25 -16.307 -17.311 16.270 1.00 0.00 C ATOM 401 C VAL A 25 -14.933 -17.338 16.936 1.00 0.00 C ATOM 402 O VAL A 25 -14.715 -16.718 17.959 1.00 0.00 O ATOM 403 CB VAL A 25 -16.315 -16.211 15.210 1.00 0.00 C ATOM 404 CG1 VAL A 25 -17.719 -16.064 14.627 1.00 0.00 C ATOM 405 CG2 VAL A 25 -15.889 -14.890 15.849 1.00 0.00 C ATOM 0 H VAL A 25 -17.260 -16.144 17.782 1.00 0.00 H new ATOM 0 HA VAL A 25 -16.516 -18.274 15.804 1.00 0.00 H new ATOM 0 HB VAL A 25 -15.621 -16.474 14.412 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -17.719 -15.278 13.872 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -18.024 -17.006 14.171 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -18.418 -15.803 15.422 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -15.894 -14.103 15.095 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -16.584 -14.631 16.648 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -14.885 -14.992 16.261 1.00 0.00 H new ATOM 415 N CYS A 26 -13.997 -18.034 16.356 1.00 0.00 N ATOM 416 CA CYS A 26 -12.633 -18.076 16.951 1.00 0.00 C ATOM 417 C CYS A 26 -11.764 -17.023 16.265 1.00 0.00 C ATOM 418 O CYS A 26 -11.853 -16.815 15.073 1.00 0.00 O ATOM 419 CB CYS A 26 -12.006 -19.459 16.745 1.00 0.00 C ATOM 420 SG CYS A 26 -10.280 -19.414 17.294 1.00 0.00 S ATOM 0 H CYS A 26 -14.116 -18.574 15.499 1.00 0.00 H new ATOM 0 HA CYS A 26 -12.700 -17.875 18.020 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -12.560 -20.211 17.307 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -12.059 -19.743 15.694 1.00 0.00 H new ATOM 425 N GLY A 27 -10.929 -16.356 17.007 1.00 0.00 N ATOM 426 CA GLY A 27 -10.057 -15.318 16.394 1.00 0.00 C ATOM 427 C GLY A 27 -8.695 -15.930 16.068 1.00 0.00 C ATOM 428 O GLY A 27 -8.136 -16.675 16.850 1.00 0.00 O ATOM 0 H GLY A 27 -10.812 -16.484 18.012 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -10.519 -14.927 15.487 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -9.937 -14.478 17.078 1.00 0.00 H new ATOM 432 N ASP A 28 -8.155 -15.625 14.921 1.00 0.00 N ATOM 433 CA ASP A 28 -6.828 -16.196 14.553 1.00 0.00 C ATOM 434 C ASP A 28 -5.740 -15.576 15.435 1.00 0.00 C ATOM 435 O ASP A 28 -4.591 -15.966 15.384 1.00 0.00 O ATOM 436 CB ASP A 28 -6.530 -15.898 13.083 1.00 0.00 C ATOM 437 CG ASP A 28 -5.200 -16.544 12.691 1.00 0.00 C ATOM 438 OD1 ASP A 28 -4.708 -17.355 13.460 1.00 0.00 O ATOM 439 OD2 ASP A 28 -4.695 -16.217 11.631 1.00 0.00 O ATOM 0 H ASP A 28 -8.573 -15.008 14.225 1.00 0.00 H new ATOM 0 HA ASP A 28 -6.845 -17.275 14.705 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -7.333 -16.282 12.453 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -6.485 -14.821 12.921 1.00 0.00 H new ATOM 444 N ASP A 29 -6.094 -14.617 16.248 1.00 0.00 N ATOM 445 CA ASP A 29 -5.081 -13.980 17.137 1.00 0.00 C ATOM 446 C ASP A 29 -5.020 -14.737 18.466 1.00 0.00 C ATOM 447 O ASP A 29 -4.280 -14.380 19.360 1.00 0.00 O ATOM 448 CB ASP A 29 -5.474 -12.524 17.398 1.00 0.00 C ATOM 449 CG ASP A 29 -5.212 -11.692 16.141 1.00 0.00 C ATOM 450 OD1 ASP A 29 -4.640 -12.228 15.208 1.00 0.00 O ATOM 451 OD2 ASP A 29 -5.588 -10.531 16.135 1.00 0.00 O ATOM 0 H ASP A 29 -7.041 -14.248 16.335 1.00 0.00 H new ATOM 0 HA ASP A 29 -4.104 -14.012 16.655 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -6.527 -12.464 17.674 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -4.902 -12.126 18.236 1.00 0.00 H new ATOM 456 N GLY A 30 -5.796 -15.778 18.605 1.00 0.00 N ATOM 457 CA GLY A 30 -5.783 -16.553 19.877 1.00 0.00 C ATOM 458 C GLY A 30 -6.896 -16.042 20.795 1.00 0.00 C ATOM 459 O GLY A 30 -6.810 -16.133 22.003 1.00 0.00 O ATOM 0 H GLY A 30 -6.438 -16.125 17.892 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -5.925 -17.614 19.671 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -4.815 -16.450 20.368 1.00 0.00 H new ATOM 463 N GLN A 31 -7.943 -15.503 20.229 1.00 0.00 N ATOM 464 CA GLN A 31 -9.060 -14.986 21.068 1.00 0.00 C ATOM 465 C GLN A 31 -10.397 -15.406 20.454 1.00 0.00 C ATOM 466 O GLN A 31 -10.502 -15.619 19.264 1.00 0.00 O ATOM 467 CB GLN A 31 -8.989 -13.460 21.126 1.00 0.00 C ATOM 468 CG GLN A 31 -7.881 -13.034 22.092 1.00 0.00 C ATOM 469 CD GLN A 31 -7.649 -11.527 21.968 1.00 0.00 C ATOM 470 OE1 GLN A 31 -8.322 -10.857 21.209 1.00 0.00 O ATOM 471 NE2 GLN A 31 -6.718 -10.960 22.685 1.00 0.00 N ATOM 0 H GLN A 31 -8.072 -15.399 19.223 1.00 0.00 H new ATOM 0 HA GLN A 31 -8.976 -15.395 22.075 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -8.794 -13.057 20.132 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -9.946 -13.053 21.452 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -8.159 -13.287 23.115 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -6.961 -13.574 21.868 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -6.153 -11.521 23.322 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -6.556 -9.956 22.608 1.00 0.00 H new ATOM 480 N THR A 32 -11.419 -15.520 21.255 1.00 0.00 N ATOM 481 CA THR A 32 -12.749 -15.923 20.714 1.00 0.00 C ATOM 482 C THR A 32 -13.737 -14.768 20.888 1.00 0.00 C ATOM 483 O THR A 32 -13.748 -14.093 21.897 1.00 0.00 O ATOM 484 CB THR A 32 -13.260 -17.151 21.470 1.00 0.00 C ATOM 485 OG1 THR A 32 -12.183 -18.054 21.685 1.00 0.00 O ATOM 486 CG2 THR A 32 -14.351 -17.838 20.647 1.00 0.00 C ATOM 0 H THR A 32 -11.392 -15.352 22.261 1.00 0.00 H new ATOM 0 HA THR A 32 -12.653 -16.166 19.656 1.00 0.00 H new ATOM 0 HB THR A 32 -13.673 -16.844 22.431 1.00 0.00 H new ATOM 0 HG1 THR A 32 -12.508 -18.841 22.171 1.00 0.00 H new ATOM 0 HG21 THR A 32 -14.716 -18.713 21.185 1.00 0.00 H new ATOM 0 HG22 THR A 32 -15.175 -17.143 20.483 1.00 0.00 H new ATOM 0 HG23 THR A 32 -13.941 -18.148 19.686 1.00 0.00 H new ATOM 494 N TYR A 33 -14.565 -14.534 19.907 1.00 0.00 N ATOM 495 CA TYR A 33 -15.550 -13.423 20.013 1.00 0.00 C ATOM 496 C TYR A 33 -16.966 -13.997 19.992 1.00 0.00 C ATOM 497 O TYR A 33 -17.300 -14.823 19.166 1.00 0.00 O ATOM 498 CB TYR A 33 -15.359 -12.464 18.837 1.00 0.00 C ATOM 499 CG TYR A 33 -13.960 -11.899 18.887 1.00 0.00 C ATOM 500 CD1 TYR A 33 -12.899 -12.604 18.305 1.00 0.00 C ATOM 501 CD2 TYR A 33 -13.723 -10.675 19.525 1.00 0.00 C ATOM 502 CE1 TYR A 33 -11.601 -12.083 18.359 1.00 0.00 C ATOM 503 CE2 TYR A 33 -12.425 -10.154 19.577 1.00 0.00 C ATOM 504 CZ TYR A 33 -11.364 -10.858 18.995 1.00 0.00 C ATOM 505 OH TYR A 33 -10.084 -10.345 19.049 1.00 0.00 O ATOM 0 H TYR A 33 -14.601 -15.065 19.037 1.00 0.00 H new ATOM 0 HA TYR A 33 -15.397 -12.882 20.947 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -15.521 -12.987 17.894 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -16.092 -11.659 18.885 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -13.082 -13.549 17.815 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -14.541 -10.134 19.977 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -10.782 -12.626 17.910 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -12.242 -9.209 20.066 1.00 0.00 H new ATOM 0 HH TYR A 33 -9.653 -10.628 19.883 1.00 0.00 H new ATOM 515 N ASN A 34 -17.798 -13.572 20.901 1.00 0.00 N ATOM 516 CA ASN A 34 -19.188 -14.100 20.940 1.00 0.00 C ATOM 517 C ASN A 34 -19.854 -13.903 19.576 1.00 0.00 C ATOM 518 O ASN A 34 -19.955 -14.821 18.793 1.00 0.00 O ATOM 519 CB ASN A 34 -19.983 -13.370 22.029 1.00 0.00 C ATOM 520 CG ASN A 34 -19.096 -13.185 23.263 1.00 0.00 C ATOM 521 OD1 ASN A 34 -18.464 -14.118 23.716 1.00 0.00 O ATOM 522 ND2 ASN A 34 -19.022 -12.011 23.827 1.00 0.00 N ATOM 0 H ASN A 34 -17.575 -12.882 21.618 1.00 0.00 H new ATOM 0 HA ASN A 34 -19.167 -15.165 21.170 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -20.321 -12.401 21.661 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -20.874 -13.941 22.290 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -18.433 -11.876 24.649 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -19.553 -11.228 23.446 1.00 0.00 H new ATOM 529 N ASN A 35 -20.310 -12.720 19.284 1.00 0.00 N ATOM 530 CA ASN A 35 -20.968 -12.476 17.968 1.00 0.00 C ATOM 531 C ASN A 35 -19.902 -12.228 16.897 1.00 0.00 C ATOM 532 O ASN A 35 -18.867 -11.652 17.166 1.00 0.00 O ATOM 533 CB ASN A 35 -21.880 -11.250 18.093 1.00 0.00 C ATOM 534 CG ASN A 35 -22.492 -10.907 16.735 1.00 0.00 C ATOM 535 OD1 ASN A 35 -21.786 -10.590 15.798 1.00 0.00 O ATOM 536 ND2 ASN A 35 -23.789 -10.960 16.588 1.00 0.00 N ATOM 0 H ASN A 35 -20.257 -11.908 19.899 1.00 0.00 H new ATOM 0 HA ASN A 35 -21.559 -13.345 17.680 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -22.671 -11.448 18.817 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -21.310 -10.400 18.468 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -24.210 -10.735 15.686 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -24.381 -11.226 17.375 1.00 0.00 H new ATOM 543 N PRO A 36 -20.168 -12.659 15.652 1.00 0.00 N ATOM 544 CA PRO A 36 -19.235 -12.471 14.532 1.00 0.00 C ATOM 545 C PRO A 36 -19.030 -10.986 14.223 1.00 0.00 C ATOM 546 O PRO A 36 -17.916 -10.510 14.149 1.00 0.00 O ATOM 547 CB PRO A 36 -19.929 -13.178 13.366 1.00 0.00 C ATOM 548 CG PRO A 36 -21.370 -13.165 13.740 1.00 0.00 C ATOM 549 CD PRO A 36 -21.389 -13.363 15.228 1.00 0.00 C ATOM 0 HA PRO A 36 -18.241 -12.867 14.742 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -19.757 -12.657 12.424 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -19.559 -14.195 13.240 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -21.841 -12.222 13.462 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -21.917 -13.958 13.230 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -22.283 -12.938 15.684 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -21.365 -14.419 15.498 1.00 0.00 H new ATOM 557 N CYS A 37 -20.093 -10.243 14.063 1.00 0.00 N ATOM 558 CA CYS A 37 -19.931 -8.790 13.789 1.00 0.00 C ATOM 559 C CYS A 37 -19.199 -8.169 14.977 1.00 0.00 C ATOM 560 O CYS A 37 -18.469 -7.208 14.844 1.00 0.00 O ATOM 561 CB CYS A 37 -21.306 -8.136 13.620 1.00 0.00 C ATOM 562 SG CYS A 37 -21.136 -6.333 13.684 1.00 0.00 S ATOM 0 H CYS A 37 -21.056 -10.577 14.110 1.00 0.00 H new ATOM 0 HA CYS A 37 -19.363 -8.636 12.872 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -21.748 -8.436 12.670 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -21.980 -8.476 14.406 1.00 0.00 H new ATOM 567 N MET A 38 -19.383 -8.732 16.142 1.00 0.00 N ATOM 568 CA MET A 38 -18.692 -8.203 17.349 1.00 0.00 C ATOM 569 C MET A 38 -17.183 -8.386 17.167 1.00 0.00 C ATOM 570 O MET A 38 -16.385 -7.783 17.856 1.00 0.00 O ATOM 571 CB MET A 38 -19.167 -8.979 18.582 1.00 0.00 C ATOM 572 CG MET A 38 -20.367 -8.264 19.207 1.00 0.00 C ATOM 573 SD MET A 38 -19.861 -6.624 19.782 1.00 0.00 S ATOM 574 CE MET A 38 -18.732 -7.180 21.082 1.00 0.00 C ATOM 0 H MET A 38 -19.985 -9.539 16.308 1.00 0.00 H new ATOM 0 HA MET A 38 -18.920 -7.146 17.484 1.00 0.00 H new ATOM 0 HB2 MET A 38 -19.442 -9.995 18.301 1.00 0.00 H new ATOM 0 HB3 MET A 38 -18.358 -9.057 19.309 1.00 0.00 H new ATOM 0 HG2 MET A 38 -21.170 -8.173 18.476 1.00 0.00 H new ATOM 0 HG3 MET A 38 -20.758 -8.848 20.040 1.00 0.00 H new ATOM 0 HE1 MET A 38 -18.684 -6.427 21.869 1.00 0.00 H new ATOM 0 HE2 MET A 38 -19.093 -8.120 21.500 1.00 0.00 H new ATOM 0 HE3 MET A 38 -17.738 -7.329 20.661 1.00 0.00 H new ATOM 584 N LEU A 39 -16.792 -9.209 16.230 1.00 0.00 N ATOM 585 CA LEU A 39 -15.340 -9.430 15.981 1.00 0.00 C ATOM 586 C LEU A 39 -14.760 -8.178 15.332 1.00 0.00 C ATOM 587 O LEU A 39 -13.863 -7.549 15.857 1.00 0.00 O ATOM 588 CB LEU A 39 -15.169 -10.630 15.045 1.00 0.00 C ATOM 589 CG LEU A 39 -13.700 -10.767 14.649 1.00 0.00 C ATOM 590 CD1 LEU A 39 -12.868 -11.096 15.889 1.00 0.00 C ATOM 591 CD2 LEU A 39 -13.549 -11.893 13.622 1.00 0.00 C ATOM 0 H LEU A 39 -17.419 -9.739 15.625 1.00 0.00 H new ATOM 0 HA LEU A 39 -14.820 -9.630 16.918 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -15.509 -11.540 15.539 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -15.785 -10.501 14.155 1.00 0.00 H new ATOM 0 HG LEU A 39 -13.353 -9.830 14.214 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -11.819 -11.194 15.608 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -12.974 -10.296 16.621 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -13.217 -12.033 16.323 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -12.501 -11.990 13.340 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -13.896 -12.831 14.056 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -14.143 -11.661 12.738 1.00 0.00 H new ATOM 603 N CYS A 40 -15.283 -7.796 14.201 1.00 0.00 N ATOM 604 CA CYS A 40 -14.779 -6.568 13.531 1.00 0.00 C ATOM 605 C CYS A 40 -14.835 -5.414 14.534 1.00 0.00 C ATOM 606 O CYS A 40 -14.087 -4.460 14.449 1.00 0.00 O ATOM 607 CB CYS A 40 -15.666 -6.254 12.330 1.00 0.00 C ATOM 608 SG CYS A 40 -14.845 -5.033 11.288 1.00 0.00 S ATOM 0 H CYS A 40 -16.036 -8.281 13.713 1.00 0.00 H new ATOM 0 HA CYS A 40 -13.754 -6.712 13.189 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -15.862 -7.162 11.760 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -16.631 -5.873 12.665 1.00 0.00 H new ATOM 613 N HIS A 41 -15.715 -5.510 15.494 1.00 0.00 N ATOM 614 CA HIS A 41 -15.827 -4.439 16.521 1.00 0.00 C ATOM 615 C HIS A 41 -14.600 -4.490 17.429 1.00 0.00 C ATOM 616 O HIS A 41 -13.810 -3.567 17.473 1.00 0.00 O ATOM 617 CB HIS A 41 -17.088 -4.672 17.356 1.00 0.00 C ATOM 618 CG HIS A 41 -17.446 -3.409 18.091 1.00 0.00 C ATOM 619 ND1 HIS A 41 -17.832 -2.254 17.430 1.00 0.00 N ATOM 620 CD2 HIS A 41 -17.484 -3.107 19.430 1.00 0.00 C ATOM 621 CE1 HIS A 41 -18.083 -1.318 18.364 1.00 0.00 C ATOM 622 NE2 HIS A 41 -17.886 -1.786 19.600 1.00 0.00 N ATOM 0 H HIS A 41 -16.363 -6.289 15.610 1.00 0.00 H new ATOM 0 HA HIS A 41 -15.886 -3.464 16.037 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -17.913 -4.976 16.711 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -16.922 -5.483 18.065 1.00 0.00 H new ATOM 0 HD1 HIS A 41 -17.911 -2.135 16.420 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -17.239 -3.791 20.229 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -18.404 -0.311 18.142 1.00 0.00 H new ATOM 630 N GLU A 42 -14.424 -5.567 18.144 1.00 0.00 N ATOM 631 CA GLU A 42 -13.236 -5.675 19.032 1.00 0.00 C ATOM 632 C GLU A 42 -11.985 -5.387 18.205 1.00 0.00 C ATOM 633 O GLU A 42 -10.948 -5.022 18.726 1.00 0.00 O ATOM 634 CB GLU A 42 -13.157 -7.089 19.612 1.00 0.00 C ATOM 635 CG GLU A 42 -14.414 -7.372 20.435 1.00 0.00 C ATOM 636 CD GLU A 42 -14.517 -6.353 21.573 1.00 0.00 C ATOM 637 OE1 GLU A 42 -13.520 -5.709 21.857 1.00 0.00 O ATOM 638 OE2 GLU A 42 -15.590 -6.234 22.139 1.00 0.00 O ATOM 0 H GLU A 42 -15.049 -6.373 18.151 1.00 0.00 H new ATOM 0 HA GLU A 42 -13.314 -4.960 19.851 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -13.064 -7.819 18.808 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -12.270 -7.188 20.237 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -15.298 -7.315 19.800 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -14.377 -8.383 20.840 1.00 0.00 H new ATOM 645 N ASN A 43 -12.081 -5.543 16.913 1.00 0.00 N ATOM 646 CA ASN A 43 -10.909 -5.275 16.037 1.00 0.00 C ATOM 647 C ASN A 43 -10.714 -3.765 15.906 1.00 0.00 C ATOM 648 O ASN A 43 -9.606 -3.277 15.821 1.00 0.00 O ATOM 649 CB ASN A 43 -11.155 -5.881 14.656 1.00 0.00 C ATOM 650 CG ASN A 43 -11.122 -7.408 14.762 1.00 0.00 C ATOM 651 OD1 ASN A 43 -10.553 -7.951 15.688 1.00 0.00 O ATOM 652 ND2 ASN A 43 -11.712 -8.126 13.848 1.00 0.00 N ATOM 0 H ASN A 43 -12.925 -5.846 16.426 1.00 0.00 H new ATOM 0 HA ASN A 43 -10.016 -5.722 16.473 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -12.119 -5.552 14.268 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -10.395 -5.537 13.954 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -11.696 -9.144 13.910 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -12.190 -7.670 13.071 1.00 0.00 H new ATOM 659 N LEU A 44 -11.784 -3.018 15.895 1.00 0.00 N ATOM 660 CA LEU A 44 -11.652 -1.540 15.779 1.00 0.00 C ATOM 661 C LEU A 44 -10.926 -1.005 17.015 1.00 0.00 C ATOM 662 O LEU A 44 -10.238 -0.005 16.960 1.00 0.00 O ATOM 663 CB LEU A 44 -13.042 -0.904 15.684 1.00 0.00 C ATOM 664 CG LEU A 44 -13.702 -1.302 14.360 1.00 0.00 C ATOM 665 CD1 LEU A 44 -14.912 -0.402 14.103 1.00 0.00 C ATOM 666 CD2 LEU A 44 -12.700 -1.143 13.214 1.00 0.00 C ATOM 0 H LEU A 44 -12.740 -3.367 15.961 1.00 0.00 H new ATOM 0 HA LEU A 44 -11.084 -1.292 14.882 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -13.659 -1.229 16.521 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -12.961 0.181 15.750 1.00 0.00 H new ATOM 0 HG LEU A 44 -14.024 -2.342 14.417 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -15.382 -0.685 13.161 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -15.630 -0.516 14.915 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -14.588 0.637 14.049 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -13.174 -1.427 12.274 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -12.375 -0.104 13.157 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -11.837 -1.784 13.394 1.00 0.00 H new ATOM 678 N ILE A 45 -11.070 -1.671 18.129 1.00 0.00 N ATOM 679 CA ILE A 45 -10.386 -1.211 19.370 1.00 0.00 C ATOM 680 C ILE A 45 -8.924 -1.665 19.344 1.00 0.00 C ATOM 681 O ILE A 45 -8.026 -0.912 19.664 1.00 0.00 O ATOM 682 CB ILE A 45 -11.084 -1.813 20.592 1.00 0.00 C ATOM 683 CG1 ILE A 45 -12.592 -1.876 20.338 1.00 0.00 C ATOM 684 CG2 ILE A 45 -10.810 -0.940 21.819 1.00 0.00 C ATOM 685 CD1 ILE A 45 -13.314 -2.238 21.638 1.00 0.00 C ATOM 0 H ILE A 45 -11.633 -2.515 18.232 1.00 0.00 H new ATOM 0 HA ILE A 45 -10.429 -0.123 19.426 1.00 0.00 H new ATOM 0 HB ILE A 45 -10.702 -2.818 20.769 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -12.949 -0.916 19.966 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -12.811 -2.617 19.569 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -11.307 -1.369 22.689 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -9.736 -0.894 22.001 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -11.191 0.066 21.642 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -14.388 -2.283 21.457 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -12.964 -3.208 21.990 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -13.105 -1.481 22.394 1.00 0.00 H new ATOM 697 N ARG A 46 -8.679 -2.890 18.965 1.00 0.00 N ATOM 698 CA ARG A 46 -7.275 -3.389 18.918 1.00 0.00 C ATOM 699 C ARG A 46 -6.600 -2.899 17.637 1.00 0.00 C ATOM 700 O ARG A 46 -5.420 -2.612 17.614 1.00 0.00 O ATOM 701 CB ARG A 46 -7.273 -4.919 18.939 1.00 0.00 C ATOM 702 CG ARG A 46 -7.918 -5.417 20.233 1.00 0.00 C ATOM 703 CD ARG A 46 -7.837 -6.945 20.283 1.00 0.00 C ATOM 704 NE ARG A 46 -8.604 -7.447 21.458 1.00 0.00 N ATOM 705 CZ ARG A 46 -7.989 -7.691 22.583 1.00 0.00 C ATOM 706 NH1 ARG A 46 -6.833 -7.135 22.830 1.00 0.00 N ATOM 707 NH2 ARG A 46 -8.529 -8.489 23.463 1.00 0.00 N ATOM 0 H ARG A 46 -9.390 -3.566 18.686 1.00 0.00 H new ATOM 0 HA ARG A 46 -6.730 -3.013 19.784 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -7.818 -5.305 18.078 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -6.252 -5.292 18.863 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -7.410 -4.986 21.096 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -8.958 -5.095 20.282 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -8.240 -7.371 19.364 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -6.796 -7.262 20.352 1.00 0.00 H new ATOM 0 HE ARG A 46 -9.610 -7.600 21.383 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -6.411 -6.510 22.144 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -6.353 -7.326 23.709 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -9.432 -8.923 23.272 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -8.048 -8.679 24.342 1.00 0.00 H new ATOM 721 N GLN A 47 -7.342 -2.802 16.570 1.00 0.00 N ATOM 722 CA GLN A 47 -6.752 -2.331 15.286 1.00 0.00 C ATOM 723 C GLN A 47 -5.677 -3.317 14.824 1.00 0.00 C ATOM 724 O GLN A 47 -4.611 -2.930 14.387 1.00 0.00 O ATOM 725 CB GLN A 47 -6.127 -0.949 15.488 1.00 0.00 C ATOM 726 CG GLN A 47 -7.218 0.043 15.892 1.00 0.00 C ATOM 727 CD GLN A 47 -6.597 1.424 16.110 1.00 0.00 C ATOM 728 OE1 GLN A 47 -5.393 1.551 16.221 1.00 0.00 O ATOM 729 NE2 GLN A 47 -7.373 2.472 16.180 1.00 0.00 N ATOM 0 H GLN A 47 -8.336 -3.029 16.532 1.00 0.00 H new ATOM 0 HA GLN A 47 -7.534 -2.268 14.529 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -5.357 -0.994 16.258 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -5.641 -0.619 14.570 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -7.983 0.095 15.117 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -7.711 -0.294 16.804 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -8.383 2.366 16.087 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -6.969 3.397 16.328 1.00 0.00 H new ATOM 738 N THR A 48 -5.952 -4.589 14.913 1.00 0.00 N ATOM 739 CA THR A 48 -4.950 -5.601 14.475 1.00 0.00 C ATOM 740 C THR A 48 -5.522 -6.406 13.308 1.00 0.00 C ATOM 741 O THR A 48 -5.034 -7.468 12.975 1.00 0.00 O ATOM 742 CB THR A 48 -4.631 -6.545 15.637 1.00 0.00 C ATOM 743 OG1 THR A 48 -5.798 -7.279 15.980 1.00 0.00 O ATOM 744 CG2 THR A 48 -4.161 -5.733 16.844 1.00 0.00 C ATOM 0 H THR A 48 -6.828 -4.971 15.270 1.00 0.00 H new ATOM 0 HA THR A 48 -4.037 -5.096 14.160 1.00 0.00 H new ATOM 0 HB THR A 48 -3.841 -7.235 15.340 1.00 0.00 H new ATOM 0 HG1 THR A 48 -5.596 -8.238 15.972 1.00 0.00 H new ATOM 0 HG21 THR A 48 -3.934 -6.407 17.670 1.00 0.00 H new ATOM 0 HG22 THR A 48 -3.266 -5.171 16.578 1.00 0.00 H new ATOM 0 HG23 THR A 48 -4.947 -5.041 17.146 1.00 0.00 H new ATOM 752 N ASN A 49 -6.555 -5.911 12.686 1.00 0.00 N ATOM 753 CA ASN A 49 -7.162 -6.646 11.542 1.00 0.00 C ATOM 754 C ASN A 49 -7.272 -8.131 11.888 1.00 0.00 C ATOM 755 O ASN A 49 -6.696 -8.976 11.233 1.00 0.00 O ATOM 756 CB ASN A 49 -6.287 -6.474 10.299 1.00 0.00 C ATOM 757 CG ASN A 49 -7.100 -6.834 9.054 1.00 0.00 C ATOM 758 OD1 ASN A 49 -8.312 -6.882 9.100 1.00 0.00 O ATOM 759 ND2 ASN A 49 -6.478 -7.090 7.936 1.00 0.00 N ATOM 0 H ASN A 49 -7.006 -5.027 12.921 1.00 0.00 H new ATOM 0 HA ASN A 49 -8.156 -6.246 11.343 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -5.931 -5.446 10.230 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -5.406 -7.112 10.369 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -7.010 -7.331 7.100 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -5.460 -7.049 7.898 1.00 0.00 H new ATOM 766 N THR A 50 -8.008 -8.456 12.916 1.00 0.00 N ATOM 767 CA THR A 50 -8.157 -9.887 13.302 1.00 0.00 C ATOM 768 C THR A 50 -9.154 -10.569 12.368 1.00 0.00 C ATOM 769 O THR A 50 -10.102 -9.965 11.905 1.00 0.00 O ATOM 770 CB THR A 50 -8.678 -9.981 14.737 1.00 0.00 C ATOM 771 OG1 THR A 50 -7.867 -9.183 15.587 1.00 0.00 O ATOM 772 CG2 THR A 50 -8.634 -11.439 15.205 1.00 0.00 C ATOM 0 H THR A 50 -8.512 -7.793 13.504 1.00 0.00 H new ATOM 0 HA THR A 50 -7.187 -10.378 13.229 1.00 0.00 H new ATOM 0 HB THR A 50 -9.706 -9.622 14.774 1.00 0.00 H new ATOM 0 HG1 THR A 50 -7.011 -9.635 15.742 1.00 0.00 H new ATOM 0 HG21 THR A 50 -9.006 -11.504 16.228 1.00 0.00 H new ATOM 0 HG22 THR A 50 -9.258 -12.050 14.553 1.00 0.00 H new ATOM 0 HG23 THR A 50 -7.607 -11.802 15.168 1.00 0.00 H new ATOM 780 N HIS A 51 -8.954 -11.827 12.097 1.00 0.00 N ATOM 781 CA HIS A 51 -9.893 -12.555 11.204 1.00 0.00 C ATOM 782 C HIS A 51 -10.473 -13.747 11.966 1.00 0.00 C ATOM 783 O HIS A 51 -10.001 -14.100 13.029 1.00 0.00 O ATOM 784 CB HIS A 51 -9.141 -13.048 9.967 1.00 0.00 C ATOM 785 CG HIS A 51 -8.366 -11.904 9.371 1.00 0.00 C ATOM 786 ND1 HIS A 51 -8.910 -11.065 8.412 1.00 0.00 N ATOM 787 CD2 HIS A 51 -7.090 -11.445 9.591 1.00 0.00 C ATOM 788 CE1 HIS A 51 -7.974 -10.151 8.094 1.00 0.00 C ATOM 789 NE2 HIS A 51 -6.845 -10.338 8.785 1.00 0.00 N ATOM 0 H HIS A 51 -8.178 -12.383 12.457 1.00 0.00 H new ATOM 0 HA HIS A 51 -10.699 -11.892 10.890 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -8.465 -13.859 10.237 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -9.843 -13.448 9.235 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -6.384 -11.878 10.284 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -8.118 -9.363 7.369 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -5.988 -9.787 8.733 1.00 0.00 H new ATOM 797 N ILE A 52 -11.488 -14.371 11.441 1.00 0.00 N ATOM 798 CA ILE A 52 -12.081 -15.537 12.152 1.00 0.00 C ATOM 799 C ILE A 52 -11.222 -16.774 11.896 1.00 0.00 C ATOM 800 O ILE A 52 -10.984 -17.157 10.768 1.00 0.00 O ATOM 801 CB ILE A 52 -13.498 -15.791 11.643 1.00 0.00 C ATOM 802 CG1 ILE A 52 -14.368 -14.564 11.922 1.00 0.00 C ATOM 803 CG2 ILE A 52 -14.071 -17.008 12.371 1.00 0.00 C ATOM 804 CD1 ILE A 52 -15.823 -14.883 11.576 1.00 0.00 C ATOM 0 H ILE A 52 -11.931 -14.127 10.555 1.00 0.00 H new ATOM 0 HA ILE A 52 -12.117 -15.326 13.221 1.00 0.00 H new ATOM 0 HB ILE A 52 -13.481 -15.978 10.569 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -14.286 -14.278 12.971 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -14.020 -13.716 11.332 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -15.084 -17.201 12.017 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -13.445 -17.878 12.173 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -14.093 -16.814 13.443 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -16.444 -14.009 11.774 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -15.896 -15.149 10.521 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -16.167 -15.719 12.185 1.00 0.00 H new ATOM 816 N ARG A 53 -10.758 -17.399 12.937 1.00 0.00 N ATOM 817 CA ARG A 53 -9.912 -18.612 12.765 1.00 0.00 C ATOM 818 C ARG A 53 -10.807 -19.819 12.492 1.00 0.00 C ATOM 819 O ARG A 53 -10.523 -20.638 11.642 1.00 0.00 O ATOM 820 CB ARG A 53 -9.108 -18.848 14.043 1.00 0.00 C ATOM 821 CG ARG A 53 -8.241 -20.095 13.875 1.00 0.00 C ATOM 822 CD ARG A 53 -7.445 -20.339 15.158 1.00 0.00 C ATOM 823 NE ARG A 53 -6.488 -21.460 14.943 1.00 0.00 N ATOM 824 CZ ARG A 53 -6.831 -22.680 15.253 1.00 0.00 C ATOM 825 NH1 ARG A 53 -6.436 -23.203 16.381 1.00 0.00 N ATOM 826 NH2 ARG A 53 -7.569 -23.379 14.434 1.00 0.00 N ATOM 0 H ARG A 53 -10.928 -17.123 13.904 1.00 0.00 H new ATOM 0 HA ARG A 53 -9.230 -18.471 11.926 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -8.481 -17.982 14.256 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -9.781 -18.971 14.891 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -8.867 -20.959 13.653 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -7.562 -19.968 13.032 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -6.905 -19.435 15.441 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -8.122 -20.577 15.979 1.00 0.00 H new ATOM 0 HE ARG A 53 -5.564 -21.274 14.553 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -5.859 -22.658 17.021 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -6.705 -24.157 16.623 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -7.878 -22.971 13.551 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -7.837 -24.333 14.677 1.00 0.00 H new ATOM 840 N SER A 54 -11.887 -19.932 13.210 1.00 0.00 N ATOM 841 CA SER A 54 -12.808 -21.083 13.000 1.00 0.00 C ATOM 842 C SER A 54 -14.195 -20.724 13.535 1.00 0.00 C ATOM 843 O SER A 54 -14.329 -19.992 14.495 1.00 0.00 O ATOM 844 CB SER A 54 -12.273 -22.308 13.745 1.00 0.00 C ATOM 845 OG SER A 54 -12.504 -23.473 12.967 1.00 0.00 O ATOM 0 H SER A 54 -12.173 -19.275 13.936 1.00 0.00 H new ATOM 0 HA SER A 54 -12.875 -21.309 11.936 1.00 0.00 H new ATOM 0 HB2 SER A 54 -11.207 -22.192 13.938 1.00 0.00 H new ATOM 0 HB3 SER A 54 -12.764 -22.401 14.714 1.00 0.00 H new ATOM 0 HG SER A 54 -12.160 -24.258 13.443 1.00 0.00 H new ATOM 851 N THR A 55 -15.229 -21.231 12.922 1.00 0.00 N ATOM 852 CA THR A 55 -16.604 -20.912 13.399 1.00 0.00 C ATOM 853 C THR A 55 -16.816 -21.523 14.784 1.00 0.00 C ATOM 854 O THR A 55 -16.243 -22.540 15.120 1.00 0.00 O ATOM 855 CB THR A 55 -17.631 -21.487 12.422 1.00 0.00 C ATOM 856 OG1 THR A 55 -17.657 -22.902 12.543 1.00 0.00 O ATOM 857 CG2 THR A 55 -17.251 -21.101 10.993 1.00 0.00 C ATOM 0 H THR A 55 -15.182 -21.851 12.113 1.00 0.00 H new ATOM 0 HA THR A 55 -16.727 -19.831 13.457 1.00 0.00 H new ATOM 0 HB THR A 55 -18.617 -21.085 12.653 1.00 0.00 H new ATOM 0 HG1 THR A 55 -18.316 -23.272 11.919 1.00 0.00 H new ATOM 0 HG21 THR A 55 -17.984 -21.511 10.298 1.00 0.00 H new ATOM 0 HG22 THR A 55 -17.233 -20.015 10.902 1.00 0.00 H new ATOM 0 HG23 THR A 55 -16.265 -21.501 10.758 1.00 0.00 H new ATOM 865 N GLY A 56 -17.630 -20.904 15.593 1.00 0.00 N ATOM 866 CA GLY A 56 -17.874 -21.441 16.960 1.00 0.00 C ATOM 867 C GLY A 56 -16.645 -21.178 17.822 1.00 0.00 C ATOM 868 O GLY A 56 -15.569 -20.913 17.323 1.00 0.00 O ATOM 0 H GLY A 56 -18.137 -20.049 15.366 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -18.751 -20.967 17.400 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -18.080 -22.510 16.913 1.00 0.00 H new ATOM 872 N LYS A 57 -16.792 -21.250 19.109 1.00 0.00 N ATOM 873 CA LYS A 57 -15.625 -21.005 19.997 1.00 0.00 C ATOM 874 C LYS A 57 -14.464 -21.886 19.537 1.00 0.00 C ATOM 875 O LYS A 57 -14.660 -22.987 19.061 1.00 0.00 O ATOM 876 CB LYS A 57 -15.988 -21.353 21.441 1.00 0.00 C ATOM 877 CG LYS A 57 -14.857 -20.910 22.370 1.00 0.00 C ATOM 878 CD LYS A 57 -15.334 -20.972 23.822 1.00 0.00 C ATOM 879 CE LYS A 57 -14.289 -20.321 24.730 1.00 0.00 C ATOM 880 NZ LYS A 57 -14.674 -18.905 24.994 1.00 0.00 N ATOM 0 H LYS A 57 -17.667 -21.467 19.587 1.00 0.00 H new ATOM 0 HA LYS A 57 -15.340 -19.954 19.947 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -16.919 -20.860 21.722 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -16.154 -22.426 21.538 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -13.988 -21.553 22.234 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -14.545 -19.896 22.122 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -16.290 -20.459 23.924 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -15.495 -22.008 24.119 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -14.214 -20.870 25.669 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -13.307 -20.360 24.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -13.964 -18.462 25.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -14.724 -18.385 24.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -15.603 -18.879 25.461 1.00 0.00 H new ATOM 894 N CYS A 58 -13.258 -21.413 19.667 1.00 0.00 N ATOM 895 CA CYS A 58 -12.092 -22.228 19.226 1.00 0.00 C ATOM 896 C CYS A 58 -12.065 -23.548 20.005 1.00 0.00 C ATOM 897 O CYS A 58 -13.080 -24.018 20.479 1.00 0.00 O ATOM 898 CB CYS A 58 -10.801 -21.448 19.475 1.00 0.00 C ATOM 899 SG CYS A 58 -9.891 -21.296 17.918 1.00 0.00 S ATOM 0 H CYS A 58 -13.028 -20.500 20.058 1.00 0.00 H new ATOM 0 HA CYS A 58 -12.179 -22.444 18.161 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -11.030 -20.460 19.875 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -10.190 -21.959 20.219 1.00 0.00 H new