USER MOD reduce.3.24.130724 H: found=0, std=0, add=429, rem=0, adj=10 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 48 THR OG1 : rot 136:sc= 0.185 USER MOD Set 1.2: A 50 THR OG1 : rot -49:sc= 0.584 USER MOD Set 2.1: A 31 GLN : amide:sc= 0.332 K(o=0.45,f=-2.1!) USER MOD Set 2.2: A 33 TYR OH : rot 58:sc= 0.115 USER MOD Single : A 4 MET CE :methyl -104:sc= -0.0379 (180deg=-0.523) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot 175:sc= -0.446 USER MOD Single : A 16 TYR OH : rot -166:sc= -0.0894 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= -0.342 X(o=-0.34,f=-0.6) USER MOD Single : A 35 ASN : amide:sc= -7.5! C(o=-7.5!,f=-19!) USER MOD Single : A 38 MET CE :methyl -154:sc= -0.104 (180deg=-0.838) USER MOD Single : A 41 HIS : no HD1:sc= -0.0883 X(o=-0.088,f=-0.23) USER MOD Single : A 43 ASN : amide:sc= -4.04! C(o=-4!,f=-6.3!) USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 49 ASN : amide:sc= -0.0119 K(o=-0.012,f=-1.8!) USER MOD Single : A 51 HIS : no HD1:sc= -2.42 X(o=-2.4,f=-2.9!) 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 -14.973 -7.796 5.510 1.00 0.00 N ATOM 42 CA MET A 4 -16.333 -7.225 5.703 1.00 0.00 C ATOM 43 C MET A 4 -16.203 -5.849 6.357 1.00 0.00 C ATOM 44 O MET A 4 -17.040 -4.984 6.186 1.00 0.00 O ATOM 45 CB MET A 4 -17.151 -8.145 6.611 1.00 0.00 C ATOM 46 CG MET A 4 -17.364 -9.491 5.914 1.00 0.00 C ATOM 47 SD MET A 4 -18.438 -10.536 6.930 1.00 0.00 S ATOM 48 CE MET A 4 -20.001 -9.715 6.530 1.00 0.00 C ATOM 0 HA MET A 4 -16.835 -7.133 4.740 1.00 0.00 H new ATOM 0 HB2 MET A 4 -16.633 -8.292 7.559 1.00 0.00 H new ATOM 0 HB3 MET A 4 -18.113 -7.686 6.841 1.00 0.00 H new ATOM 0 HG2 MET A 4 -17.812 -9.337 4.932 1.00 0.00 H new ATOM 0 HG3 MET A 4 -16.406 -9.985 5.753 1.00 0.00 H new ATOM 0 HE1 MET A 4 -20.309 -9.090 7.368 1.00 0.00 H new ATOM 0 HE2 MET A 4 -19.869 -9.094 5.644 1.00 0.00 H new ATOM 0 HE3 MET A 4 -20.767 -10.466 6.336 1.00 0.00 H new ATOM 58 N CYS A 5 -15.153 -5.643 7.104 1.00 0.00 N ATOM 59 CA CYS A 5 -14.957 -4.326 7.772 1.00 0.00 C ATOM 60 C CYS A 5 -14.381 -3.329 6.763 1.00 0.00 C ATOM 61 O CYS A 5 -14.344 -2.138 7.002 1.00 0.00 O ATOM 62 CB CYS A 5 -13.986 -4.493 8.944 1.00 0.00 C ATOM 63 SG CYS A 5 -14.478 -5.917 9.938 1.00 0.00 S ATOM 0 H CYS A 5 -14.421 -6.331 7.281 1.00 0.00 H new ATOM 0 HA CYS A 5 -15.912 -3.954 8.144 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -12.971 -4.630 8.572 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -13.982 -3.592 9.558 1.00 0.00 H new ATOM 68 N LYS A 6 -13.929 -3.805 5.637 1.00 0.00 N ATOM 69 CA LYS A 6 -13.360 -2.884 4.614 1.00 0.00 C ATOM 70 C LYS A 6 -14.492 -2.236 3.812 1.00 0.00 C ATOM 71 O LYS A 6 -14.256 -1.545 2.841 1.00 0.00 O ATOM 72 CB LYS A 6 -12.454 -3.670 3.665 1.00 0.00 C ATOM 73 CG LYS A 6 -11.413 -4.445 4.476 1.00 0.00 C ATOM 74 CD LYS A 6 -10.271 -4.876 3.553 1.00 0.00 C ATOM 75 CE LYS A 6 -9.154 -5.511 4.383 1.00 0.00 C ATOM 76 NZ LYS A 6 -7.845 -4.912 3.993 1.00 0.00 N ATOM 0 H LYS A 6 -13.929 -4.792 5.381 1.00 0.00 H new ATOM 0 HA LYS A 6 -12.781 -2.108 5.115 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -13.049 -4.359 3.065 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -11.958 -2.990 2.972 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -11.028 -3.823 5.284 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -11.872 -5.319 4.938 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -10.637 -5.587 2.812 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -9.887 -4.015 3.006 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -9.338 -5.349 5.445 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -9.135 -6.589 4.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -7.084 -5.343 4.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -7.670 -5.088 2.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -7.867 -3.887 4.167 1.00 0.00 H new ATOM 90 N ASP A 7 -15.721 -2.459 4.197 1.00 0.00 N ATOM 91 CA ASP A 7 -16.854 -1.857 3.434 1.00 0.00 C ATOM 92 C ASP A 7 -17.930 -1.343 4.393 1.00 0.00 C ATOM 93 O ASP A 7 -19.044 -1.067 3.992 1.00 0.00 O ATOM 94 CB ASP A 7 -17.461 -2.915 2.511 1.00 0.00 C ATOM 95 CG ASP A 7 -16.476 -3.236 1.385 1.00 0.00 C ATOM 96 OD1 ASP A 7 -15.597 -2.426 1.145 1.00 0.00 O ATOM 97 OD2 ASP A 7 -16.615 -4.287 0.784 1.00 0.00 O ATOM 0 H ASP A 7 -15.988 -3.028 5.001 1.00 0.00 H new ATOM 0 HA ASP A 7 -16.478 -1.020 2.845 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -17.690 -3.818 3.077 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -18.401 -2.553 2.094 1.00 0.00 H new ATOM 102 N TYR A 8 -17.618 -1.206 5.652 1.00 0.00 N ATOM 103 CA TYR A 8 -18.643 -0.704 6.612 1.00 0.00 C ATOM 104 C TYR A 8 -18.118 0.556 7.310 1.00 0.00 C ATOM 105 O TYR A 8 -16.929 0.732 7.486 1.00 0.00 O ATOM 106 CB TYR A 8 -18.969 -1.800 7.644 1.00 0.00 C ATOM 107 CG TYR A 8 -18.070 -1.680 8.857 1.00 0.00 C ATOM 108 CD1 TYR A 8 -16.690 -1.853 8.723 1.00 0.00 C ATOM 109 CD2 TYR A 8 -18.621 -1.393 10.112 1.00 0.00 C ATOM 110 CE1 TYR A 8 -15.856 -1.738 9.843 1.00 0.00 C ATOM 111 CE2 TYR A 8 -17.788 -1.280 11.233 1.00 0.00 C ATOM 112 CZ TYR A 8 -16.406 -1.452 11.098 1.00 0.00 C ATOM 113 OH TYR A 8 -15.585 -1.339 12.203 1.00 0.00 O ATOM 0 H TYR A 8 -16.706 -1.418 6.056 1.00 0.00 H new ATOM 0 HA TYR A 8 -19.557 -0.451 6.074 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -20.012 -1.720 7.949 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -18.845 -2.783 7.189 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -16.266 -2.076 7.755 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -19.688 -1.259 10.216 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -14.789 -1.870 9.738 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -18.213 -1.060 12.201 1.00 0.00 H new ATOM 0 HH TYR A 8 -16.116 -1.059 12.978 1.00 0.00 H new ATOM 123 N ARG A 9 -19.001 1.428 7.712 1.00 0.00 N ATOM 124 CA ARG A 9 -18.558 2.670 8.403 1.00 0.00 C ATOM 125 C ARG A 9 -19.345 2.827 9.704 1.00 0.00 C ATOM 126 O ARG A 9 -20.542 2.628 9.746 1.00 0.00 O ATOM 127 CB ARG A 9 -18.810 3.878 7.499 1.00 0.00 C ATOM 128 CG ARG A 9 -17.780 3.887 6.367 1.00 0.00 C ATOM 129 CD ARG A 9 -17.997 5.119 5.486 1.00 0.00 C ATOM 130 NE ARG A 9 -17.277 4.937 4.194 1.00 0.00 N ATOM 131 CZ ARG A 9 -17.498 5.758 3.202 1.00 0.00 C ATOM 132 NH1 ARG A 9 -18.304 5.412 2.237 1.00 0.00 N ATOM 133 NH2 ARG A 9 -16.911 6.924 3.176 1.00 0.00 N ATOM 0 H ARG A 9 -20.009 1.334 7.592 1.00 0.00 H new ATOM 0 HA ARG A 9 -17.493 2.607 8.625 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -19.819 3.835 7.088 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -18.740 4.800 8.077 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -16.771 3.896 6.780 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -17.873 2.980 5.770 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -19.062 5.267 5.304 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -17.634 6.012 5.995 1.00 0.00 H new ATOM 0 HE ARG A 9 -16.612 4.172 4.084 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -18.762 4.501 2.257 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -18.477 6.053 1.462 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -16.280 7.194 3.930 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -17.084 7.565 2.401 1.00 0.00 H new ATOM 147 N VAL A 10 -18.680 3.176 10.769 1.00 0.00 N ATOM 148 CA VAL A 10 -19.389 3.337 12.068 1.00 0.00 C ATOM 149 C VAL A 10 -19.073 4.714 12.655 1.00 0.00 C ATOM 150 O VAL A 10 -18.004 5.255 12.452 1.00 0.00 O ATOM 151 CB VAL A 10 -18.927 2.245 13.035 1.00 0.00 C ATOM 152 CG1 VAL A 10 -19.424 2.564 14.445 1.00 0.00 C ATOM 153 CG2 VAL A 10 -19.497 0.897 12.585 1.00 0.00 C ATOM 0 H VAL A 10 -17.676 3.357 10.796 1.00 0.00 H new ATOM 0 HA VAL A 10 -20.464 3.252 11.912 1.00 0.00 H new ATOM 0 HB VAL A 10 -17.838 2.199 13.039 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -19.094 1.785 15.132 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -19.020 3.525 14.764 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -20.513 2.610 14.445 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -19.170 0.116 13.272 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -20.586 0.945 12.582 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -19.141 0.669 11.580 1.00 0.00 H new ATOM 163 N LEU A 11 -19.996 5.289 13.375 1.00 0.00 N ATOM 164 CA LEU A 11 -19.750 6.632 13.967 1.00 0.00 C ATOM 165 C LEU A 11 -19.947 6.569 15.485 1.00 0.00 C ATOM 166 O LEU A 11 -20.343 5.555 16.025 1.00 0.00 O ATOM 167 CB LEU A 11 -20.732 7.638 13.363 1.00 0.00 C ATOM 168 CG LEU A 11 -19.972 8.609 12.458 1.00 0.00 C ATOM 169 CD1 LEU A 11 -20.001 8.092 11.018 1.00 0.00 C ATOM 170 CD2 LEU A 11 -20.634 9.987 12.516 1.00 0.00 C ATOM 0 H LEU A 11 -20.911 4.886 13.579 1.00 0.00 H new ATOM 0 HA LEU A 11 -18.728 6.944 13.751 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -21.499 7.116 12.791 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -21.242 8.186 14.155 1.00 0.00 H new ATOM 0 HG LEU A 11 -18.939 8.687 12.797 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -19.460 8.783 10.372 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -19.530 7.110 10.974 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -21.034 8.014 10.680 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -20.092 10.678 11.871 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -21.667 9.909 12.177 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -20.615 10.357 13.541 1.00 0.00 H new ATOM 182 N PRO A 12 -19.663 7.680 16.181 1.00 0.00 N ATOM 183 CA PRO A 12 -19.806 7.760 17.641 1.00 0.00 C ATOM 184 C PRO A 12 -21.273 7.688 18.071 1.00 0.00 C ATOM 185 O PRO A 12 -21.586 7.341 19.192 1.00 0.00 O ATOM 186 CB PRO A 12 -19.227 9.133 17.982 1.00 0.00 C ATOM 187 CG PRO A 12 -19.379 9.922 16.726 1.00 0.00 C ATOM 188 CD PRO A 12 -19.181 8.946 15.603 1.00 0.00 C ATOM 0 HA PRO A 12 -19.306 6.935 18.148 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -19.764 9.596 18.810 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -18.181 9.060 18.281 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -20.364 10.385 16.672 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -18.645 10.727 16.679 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -19.750 9.228 14.717 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -18.135 8.881 15.303 1.00 0.00 H new ATOM 196 N ARG A 13 -22.173 8.014 17.186 1.00 0.00 N ATOM 197 CA ARG A 13 -23.620 7.965 17.538 1.00 0.00 C ATOM 198 C ARG A 13 -24.267 6.749 16.873 1.00 0.00 C ATOM 199 O ARG A 13 -25.277 6.246 17.325 1.00 0.00 O ATOM 200 CB ARG A 13 -24.304 9.239 17.045 1.00 0.00 C ATOM 201 CG ARG A 13 -23.802 10.435 17.855 1.00 0.00 C ATOM 202 CD ARG A 13 -24.488 11.708 17.358 1.00 0.00 C ATOM 203 NE ARG A 13 -23.812 12.899 17.944 1.00 0.00 N ATOM 204 CZ ARG A 13 -22.982 13.600 17.221 1.00 0.00 C ATOM 205 NH1 ARG A 13 -21.695 13.444 17.370 1.00 0.00 N ATOM 206 NH2 ARG A 13 -23.439 14.457 16.349 1.00 0.00 N ATOM 0 H ARG A 13 -21.969 8.313 16.232 1.00 0.00 H new ATOM 0 HA ARG A 13 -23.729 7.887 18.620 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -24.095 9.390 15.986 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -25.385 9.146 17.146 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -24.012 10.285 18.914 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -22.721 10.528 17.755 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -24.449 11.753 16.270 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -25.541 11.700 17.639 1.00 0.00 H new ATOM 0 HE ARG A 13 -23.998 13.167 18.911 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -21.338 12.774 18.051 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -21.046 13.992 16.805 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -24.445 14.579 16.233 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -22.790 15.005 15.784 1.00 0.00 H new ATOM 220 N ILE A 14 -23.695 6.273 15.800 1.00 0.00 N ATOM 221 CA ILE A 14 -24.281 5.090 15.106 1.00 0.00 C ATOM 222 C ILE A 14 -23.836 3.808 15.815 1.00 0.00 C ATOM 223 O ILE A 14 -24.635 2.940 16.108 1.00 0.00 O ATOM 224 CB ILE A 14 -23.802 5.059 13.652 1.00 0.00 C ATOM 225 CG1 ILE A 14 -24.231 6.346 12.945 1.00 0.00 C ATOM 226 CG2 ILE A 14 -24.419 3.855 12.937 1.00 0.00 C ATOM 227 CD1 ILE A 14 -25.710 6.614 13.225 1.00 0.00 C ATOM 0 H ILE A 14 -22.849 6.651 15.374 1.00 0.00 H new ATOM 0 HA ILE A 14 -25.368 5.160 15.129 1.00 0.00 H new ATOM 0 HB ILE A 14 -22.715 4.978 13.630 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -23.627 7.184 13.293 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -24.064 6.257 11.872 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -24.078 3.833 11.902 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -24.113 2.937 13.440 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -25.506 3.936 12.960 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -26.015 7.531 12.721 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -26.307 5.781 12.855 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -25.863 6.722 14.299 1.00 0.00 H new ATOM 239 N GLY A 15 -22.567 3.681 16.090 1.00 0.00 N ATOM 240 CA GLY A 15 -22.073 2.454 16.778 1.00 0.00 C ATOM 241 C GLY A 15 -21.876 1.340 15.748 1.00 0.00 C ATOM 242 O GLY A 15 -21.827 1.584 14.559 1.00 0.00 O ATOM 0 H GLY A 15 -21.851 4.373 15.868 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -21.133 2.663 17.288 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -22.786 2.139 17.540 1.00 0.00 H new ATOM 246 N TYR A 16 -21.762 0.118 16.191 1.00 0.00 N ATOM 247 CA TYR A 16 -21.569 -1.004 15.231 1.00 0.00 C ATOM 248 C TYR A 16 -22.913 -1.679 14.953 1.00 0.00 C ATOM 249 O TYR A 16 -23.797 -1.691 15.787 1.00 0.00 O ATOM 250 CB TYR A 16 -20.597 -2.028 15.819 1.00 0.00 C ATOM 251 CG TYR A 16 -19.835 -2.688 14.696 1.00 0.00 C ATOM 252 CD1 TYR A 16 -20.487 -3.585 13.841 1.00 0.00 C ATOM 253 CD2 TYR A 16 -18.480 -2.397 14.504 1.00 0.00 C ATOM 254 CE1 TYR A 16 -19.783 -4.192 12.794 1.00 0.00 C ATOM 255 CE2 TYR A 16 -17.776 -3.003 13.457 1.00 0.00 C ATOM 256 CZ TYR A 16 -18.428 -3.900 12.601 1.00 0.00 C ATOM 257 OH TYR A 16 -17.734 -4.496 11.568 1.00 0.00 O ATOM 0 H TYR A 16 -21.794 -0.151 17.174 1.00 0.00 H new ATOM 0 HA TYR A 16 -21.160 -0.611 14.300 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -19.906 -1.539 16.506 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -21.142 -2.776 16.394 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -21.533 -3.809 13.989 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -17.977 -1.705 15.163 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -20.285 -4.885 12.136 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -16.730 -2.779 13.309 1.00 0.00 H new ATOM 0 HH TYR A 16 -16.772 -4.366 11.702 1.00 0.00 H new ATOM 267 N LEU A 17 -23.075 -2.236 13.785 1.00 0.00 N ATOM 268 CA LEU A 17 -24.363 -2.905 13.452 1.00 0.00 C ATOM 269 C LEU A 17 -24.146 -4.416 13.335 1.00 0.00 C ATOM 270 O LEU A 17 -23.529 -4.896 12.405 1.00 0.00 O ATOM 271 CB LEU A 17 -24.889 -2.361 12.122 1.00 0.00 C ATOM 272 CG LEU A 17 -26.364 -2.737 11.962 1.00 0.00 C ATOM 273 CD1 LEU A 17 -26.488 -4.252 11.783 1.00 0.00 C ATOM 274 CD2 LEU A 17 -27.139 -2.304 13.207 1.00 0.00 C ATOM 0 H LEU A 17 -22.371 -2.257 13.047 1.00 0.00 H new ATOM 0 HA LEU A 17 -25.088 -2.706 14.241 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -24.774 -1.278 12.089 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -24.307 -2.769 11.295 1.00 0.00 H new ATOM 0 HG LEU A 17 -26.774 -2.234 11.087 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -27.538 -4.520 11.669 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -25.936 -4.560 10.895 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -26.078 -4.757 12.658 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -28.189 -2.572 13.093 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -26.729 -2.806 14.083 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -27.051 -1.225 13.333 1.00 0.00 H new ATOM 286 N CYS A 18 -24.655 -5.169 14.271 1.00 0.00 N ATOM 287 CA CYS A 18 -24.490 -6.649 14.218 1.00 0.00 C ATOM 288 C CYS A 18 -25.866 -7.306 14.309 1.00 0.00 C ATOM 289 O CYS A 18 -26.805 -6.730 14.822 1.00 0.00 O ATOM 290 CB CYS A 18 -23.623 -7.111 15.390 1.00 0.00 C ATOM 291 SG CYS A 18 -22.030 -6.255 15.331 1.00 0.00 S ATOM 0 H CYS A 18 -25.180 -4.821 15.073 1.00 0.00 H new ATOM 0 HA CYS A 18 -24.007 -6.932 13.283 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -24.126 -6.902 16.334 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -23.471 -8.189 15.342 1.00 0.00 H new ATOM 296 N PRO A 19 -25.984 -8.539 13.800 1.00 0.00 N ATOM 297 CA PRO A 19 -27.247 -9.281 13.822 1.00 0.00 C ATOM 298 C PRO A 19 -27.611 -9.736 15.236 1.00 0.00 C ATOM 299 O PRO A 19 -26.795 -9.715 16.135 1.00 0.00 O ATOM 300 CB PRO A 19 -26.969 -10.492 12.935 1.00 0.00 C ATOM 301 CG PRO A 19 -25.489 -10.675 12.996 1.00 0.00 C ATOM 302 CD PRO A 19 -24.897 -9.303 13.168 1.00 0.00 C ATOM 0 HA PRO A 19 -28.085 -8.674 13.480 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -27.493 -11.377 13.297 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -27.305 -10.319 11.912 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -25.212 -11.324 13.827 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -25.118 -11.146 12.086 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -24.005 -9.326 13.794 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -24.604 -8.869 12.212 1.00 0.00 H new ATOM 310 N LYS A 20 -28.832 -10.145 15.440 1.00 0.00 N ATOM 311 CA LYS A 20 -29.247 -10.596 16.796 1.00 0.00 C ATOM 312 C LYS A 20 -28.851 -12.061 16.991 1.00 0.00 C ATOM 313 O LYS A 20 -28.696 -12.531 18.100 1.00 0.00 O ATOM 314 CB LYS A 20 -30.762 -10.445 16.942 1.00 0.00 C ATOM 315 CG LYS A 20 -31.143 -8.977 16.742 1.00 0.00 C ATOM 316 CD LYS A 20 -32.649 -8.806 16.947 1.00 0.00 C ATOM 317 CE LYS A 20 -33.044 -7.360 16.638 1.00 0.00 C ATOM 318 NZ LYS A 20 -33.708 -6.760 17.829 1.00 0.00 N ATOM 0 H LYS A 20 -29.560 -10.186 14.726 1.00 0.00 H new ATOM 0 HA LYS A 20 -28.750 -9.987 17.551 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -31.274 -11.069 16.209 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -31.080 -10.785 17.928 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -30.596 -8.350 17.446 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -30.863 -8.651 15.740 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -33.195 -9.490 16.298 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -32.918 -9.057 17.973 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -32.161 -6.780 16.370 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -33.716 -7.331 15.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -33.976 -5.777 17.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -34.560 -7.309 18.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -33.052 -6.775 18.636 1.00 0.00 H new ATOM 332 N ASP A 21 -28.681 -12.786 15.919 1.00 0.00 N ATOM 333 CA ASP A 21 -28.290 -14.219 16.044 1.00 0.00 C ATOM 334 C ASP A 21 -26.908 -14.314 16.695 1.00 0.00 C ATOM 335 O ASP A 21 -25.953 -13.721 16.232 1.00 0.00 O ATOM 336 CB ASP A 21 -28.243 -14.856 14.655 1.00 0.00 C ATOM 337 CG ASP A 21 -29.626 -14.773 14.010 1.00 0.00 C ATOM 338 OD1 ASP A 21 -30.565 -14.429 14.709 1.00 0.00 O ATOM 339 OD2 ASP A 21 -29.725 -15.055 12.826 1.00 0.00 O ATOM 0 H ASP A 21 -28.796 -12.449 14.963 1.00 0.00 H new ATOM 0 HA ASP A 21 -29.020 -14.744 16.661 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -27.509 -14.344 14.033 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -27.927 -15.896 14.731 1.00 0.00 H new ATOM 344 N LEU A 22 -26.791 -15.055 17.762 1.00 0.00 N ATOM 345 CA LEU A 22 -25.469 -15.184 18.435 1.00 0.00 C ATOM 346 C LEU A 22 -24.663 -16.300 17.768 1.00 0.00 C ATOM 347 O LEU A 22 -25.097 -17.432 17.692 1.00 0.00 O ATOM 348 CB LEU A 22 -25.675 -15.519 19.914 1.00 0.00 C ATOM 349 CG LEU A 22 -24.314 -15.620 20.605 1.00 0.00 C ATOM 350 CD1 LEU A 22 -23.531 -14.324 20.380 1.00 0.00 C ATOM 351 CD2 LEU A 22 -24.518 -15.838 22.105 1.00 0.00 C ATOM 0 H LEU A 22 -27.553 -15.576 18.196 1.00 0.00 H new ATOM 0 HA LEU A 22 -24.927 -14.242 18.349 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -26.282 -14.750 20.392 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -26.217 -16.460 20.013 1.00 0.00 H new ATOM 0 HG LEU A 22 -23.757 -16.459 20.189 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -22.561 -14.395 20.872 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -23.385 -14.168 19.311 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -24.089 -13.485 20.796 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -23.548 -15.910 22.597 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -25.075 -14.999 22.522 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -25.076 -16.760 22.266 1.00 0.00 H new ATOM 363 N LYS A 23 -23.492 -15.989 17.284 1.00 0.00 N ATOM 364 CA LYS A 23 -22.656 -17.029 16.622 1.00 0.00 C ATOM 365 C LYS A 23 -21.213 -16.908 17.117 1.00 0.00 C ATOM 366 O LYS A 23 -20.482 -16.025 16.715 1.00 0.00 O ATOM 367 CB LYS A 23 -22.704 -16.829 15.107 1.00 0.00 C ATOM 368 CG LYS A 23 -23.778 -17.737 14.515 1.00 0.00 C ATOM 369 CD LYS A 23 -23.132 -19.023 13.996 1.00 0.00 C ATOM 370 CE LYS A 23 -22.757 -18.849 12.523 1.00 0.00 C ATOM 371 NZ LYS A 23 -21.708 -19.840 12.157 1.00 0.00 N ATOM 0 H LYS A 23 -23.078 -15.058 17.319 1.00 0.00 H new ATOM 0 HA LYS A 23 -23.038 -18.020 16.865 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -22.922 -15.787 14.872 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -21.734 -17.059 14.667 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -24.526 -17.973 15.271 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -24.295 -17.225 13.704 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -22.244 -19.259 14.583 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -23.821 -19.860 14.110 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -23.637 -18.986 11.894 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -22.393 -17.837 12.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -21.453 -19.722 11.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -20.866 -19.689 12.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -22.071 -20.802 12.310 1.00 0.00 H new ATOM 385 N PRO A 24 -20.807 -17.814 18.020 1.00 0.00 N ATOM 386 CA PRO A 24 -19.456 -17.819 18.605 1.00 0.00 C ATOM 387 C PRO A 24 -18.369 -18.102 17.567 1.00 0.00 C ATOM 388 O PRO A 24 -18.354 -19.138 16.936 1.00 0.00 O ATOM 389 CB PRO A 24 -19.516 -18.955 19.628 1.00 0.00 C ATOM 390 CG PRO A 24 -20.605 -19.841 19.130 1.00 0.00 C ATOM 391 CD PRO A 24 -21.631 -18.920 18.537 1.00 0.00 C ATOM 0 HA PRO A 24 -19.198 -16.850 19.032 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -18.566 -19.487 19.688 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -19.735 -18.579 20.628 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -20.230 -20.543 18.385 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -21.031 -20.433 19.940 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -22.202 -19.405 17.745 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -22.348 -18.577 19.283 1.00 0.00 H new ATOM 399 N VAL A 25 -17.456 -17.186 17.392 1.00 0.00 N ATOM 400 CA VAL A 25 -16.364 -17.403 16.400 1.00 0.00 C ATOM 401 C VAL A 25 -15.012 -17.438 17.118 1.00 0.00 C ATOM 402 O VAL A 25 -14.850 -16.885 18.188 1.00 0.00 O ATOM 403 CB VAL A 25 -16.353 -16.259 15.385 1.00 0.00 C ATOM 404 CG1 VAL A 25 -17.757 -16.056 14.814 1.00 0.00 C ATOM 405 CG2 VAL A 25 -15.897 -14.973 16.078 1.00 0.00 C ATOM 0 H VAL A 25 -17.419 -16.298 17.892 1.00 0.00 H new ATOM 0 HA VAL A 25 -16.536 -18.350 15.888 1.00 0.00 H new ATOM 0 HB VAL A 25 -15.668 -16.505 14.574 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -17.742 -15.240 14.092 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -18.085 -16.971 14.320 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -18.447 -15.813 15.622 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -15.888 -14.155 15.358 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -16.584 -14.734 16.890 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -14.894 -15.113 16.481 1.00 0.00 H new ATOM 415 N CYS A 26 -14.037 -18.075 16.527 1.00 0.00 N ATOM 416 CA CYS A 26 -12.689 -18.136 17.165 1.00 0.00 C ATOM 417 C CYS A 26 -11.761 -17.140 16.464 1.00 0.00 C ATOM 418 O CYS A 26 -11.382 -17.332 15.329 1.00 0.00 O ATOM 419 CB CYS A 26 -12.118 -19.550 17.023 1.00 0.00 C ATOM 420 SG CYS A 26 -10.379 -19.552 17.526 1.00 0.00 S ATOM 0 H CYS A 26 -14.115 -18.556 15.631 1.00 0.00 H new ATOM 0 HA CYS A 26 -12.771 -17.885 18.223 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -12.687 -20.247 17.639 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -12.210 -19.889 15.991 1.00 0.00 H new ATOM 425 N GLY A 27 -11.395 -16.076 17.126 1.00 0.00 N ATOM 426 CA GLY A 27 -10.498 -15.074 16.481 1.00 0.00 C ATOM 427 C GLY A 27 -9.123 -15.697 16.228 1.00 0.00 C ATOM 428 O GLY A 27 -8.583 -16.398 17.060 1.00 0.00 O ATOM 0 H GLY A 27 -11.677 -15.857 18.082 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -10.933 -14.735 15.541 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -10.398 -14.197 17.120 1.00 0.00 H new ATOM 432 N ASP A 28 -8.552 -15.442 15.081 1.00 0.00 N ATOM 433 CA ASP A 28 -7.210 -16.014 14.769 1.00 0.00 C ATOM 434 C ASP A 28 -6.155 -15.362 15.663 1.00 0.00 C ATOM 435 O ASP A 28 -5.021 -15.796 15.720 1.00 0.00 O ATOM 436 CB ASP A 28 -6.870 -15.746 13.301 1.00 0.00 C ATOM 437 CG ASP A 28 -6.825 -14.236 13.057 1.00 0.00 C ATOM 438 OD1 ASP A 28 -6.881 -13.497 14.026 1.00 0.00 O ATOM 439 OD2 ASP A 28 -6.736 -13.846 11.904 1.00 0.00 O ATOM 0 H ASP A 28 -8.957 -14.862 14.346 1.00 0.00 H new ATOM 0 HA ASP A 28 -7.224 -17.089 14.949 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -5.909 -16.195 13.051 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -7.615 -16.208 12.653 1.00 0.00 H new ATOM 444 N ASP A 29 -6.518 -14.325 16.364 1.00 0.00 N ATOM 445 CA ASP A 29 -5.534 -13.652 17.257 1.00 0.00 C ATOM 446 C ASP A 29 -5.455 -14.407 18.586 1.00 0.00 C ATOM 447 O ASP A 29 -4.779 -13.993 19.506 1.00 0.00 O ATOM 448 CB ASP A 29 -5.981 -12.211 17.514 1.00 0.00 C ATOM 449 CG ASP A 29 -5.650 -11.349 16.293 1.00 0.00 C ATOM 450 OD1 ASP A 29 -5.271 -11.912 15.280 1.00 0.00 O ATOM 451 OD2 ASP A 29 -5.783 -10.140 16.394 1.00 0.00 O ATOM 0 H ASP A 29 -7.452 -13.915 16.358 1.00 0.00 H new ATOM 0 HA ASP A 29 -4.553 -13.648 16.782 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -7.052 -12.181 17.714 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -5.481 -11.816 18.398 1.00 0.00 H new ATOM 456 N GLY A 30 -6.146 -15.511 18.696 1.00 0.00 N ATOM 457 CA GLY A 30 -6.111 -16.286 19.968 1.00 0.00 C ATOM 458 C GLY A 30 -7.255 -15.821 20.870 1.00 0.00 C ATOM 459 O GLY A 30 -7.283 -16.104 22.051 1.00 0.00 O ATOM 0 H GLY A 30 -6.731 -15.908 17.961 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -6.205 -17.352 19.761 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -5.154 -16.142 20.470 1.00 0.00 H new ATOM 463 N GLN A 31 -8.198 -15.106 20.320 1.00 0.00 N ATOM 464 CA GLN A 31 -9.341 -14.620 21.141 1.00 0.00 C ATOM 465 C GLN A 31 -10.650 -15.149 20.552 1.00 0.00 C ATOM 466 O GLN A 31 -10.724 -15.491 19.389 1.00 0.00 O ATOM 467 CB GLN A 31 -9.363 -13.090 21.129 1.00 0.00 C ATOM 468 CG GLN A 31 -8.131 -12.555 21.864 1.00 0.00 C ATOM 469 CD GLN A 31 -8.029 -11.042 21.651 1.00 0.00 C ATOM 470 OE1 GLN A 31 -8.778 -10.474 20.881 1.00 0.00 O ATOM 471 NE2 GLN A 31 -7.129 -10.362 22.306 1.00 0.00 N ATOM 0 H GLN A 31 -8.226 -14.838 19.336 1.00 0.00 H new ATOM 0 HA GLN A 31 -9.230 -14.975 22.165 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -9.374 -12.724 20.102 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -10.272 -12.725 21.607 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -8.203 -12.780 22.928 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -7.231 -13.047 21.494 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -6.500 -10.839 22.952 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -7.054 -9.354 22.172 1.00 0.00 H new ATOM 480 N THR A 32 -11.683 -15.217 21.344 1.00 0.00 N ATOM 481 CA THR A 32 -12.985 -15.722 20.827 1.00 0.00 C ATOM 482 C THR A 32 -14.043 -14.626 20.961 1.00 0.00 C ATOM 483 O THR A 32 -14.148 -13.972 21.980 1.00 0.00 O ATOM 484 CB THR A 32 -13.415 -16.950 21.634 1.00 0.00 C ATOM 485 OG1 THR A 32 -12.346 -17.885 21.673 1.00 0.00 O ATOM 486 CG2 THR A 32 -14.635 -17.592 20.974 1.00 0.00 C ATOM 0 H THR A 32 -11.682 -14.945 22.327 1.00 0.00 H new ATOM 0 HA THR A 32 -12.878 -15.999 19.778 1.00 0.00 H new ATOM 0 HB THR A 32 -13.671 -16.649 22.650 1.00 0.00 H new ATOM 0 HG1 THR A 32 -12.618 -18.671 22.191 1.00 0.00 H new ATOM 0 HG21 THR A 32 -14.941 -18.466 21.548 1.00 0.00 H new ATOM 0 HG22 THR A 32 -15.453 -16.873 20.944 1.00 0.00 H new ATOM 0 HG23 THR A 32 -14.382 -17.896 19.958 1.00 0.00 H new ATOM 494 N TYR A 33 -14.828 -14.420 19.940 1.00 0.00 N ATOM 495 CA TYR A 33 -15.879 -13.367 20.008 1.00 0.00 C ATOM 496 C TYR A 33 -17.257 -14.027 19.985 1.00 0.00 C ATOM 497 O TYR A 33 -17.544 -14.855 19.144 1.00 0.00 O ATOM 498 CB TYR A 33 -15.740 -12.430 18.807 1.00 0.00 C ATOM 499 CG TYR A 33 -14.313 -11.944 18.716 1.00 0.00 C ATOM 500 CD1 TYR A 33 -13.877 -10.899 19.538 1.00 0.00 C ATOM 501 CD2 TYR A 33 -13.427 -12.540 17.812 1.00 0.00 C ATOM 502 CE1 TYR A 33 -12.555 -10.448 19.455 1.00 0.00 C ATOM 503 CE2 TYR A 33 -12.105 -12.089 17.728 1.00 0.00 C ATOM 504 CZ TYR A 33 -11.668 -11.044 18.550 1.00 0.00 C ATOM 505 OH TYR A 33 -10.364 -10.600 18.468 1.00 0.00 O ATOM 0 H TYR A 33 -14.787 -14.936 19.061 1.00 0.00 H new ATOM 0 HA TYR A 33 -15.765 -12.794 20.928 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -16.018 -12.951 17.891 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -16.419 -11.583 18.911 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -14.561 -10.440 20.237 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -13.763 -13.348 17.179 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -12.219 -9.641 20.089 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -11.422 -12.548 17.029 1.00 0.00 H new ATOM 0 HH TYR A 33 -9.933 -10.687 19.344 1.00 0.00 H new ATOM 515 N ASN A 34 -18.113 -13.672 20.905 1.00 0.00 N ATOM 516 CA ASN A 34 -19.467 -14.289 20.928 1.00 0.00 C ATOM 517 C ASN A 34 -20.112 -14.152 19.549 1.00 0.00 C ATOM 518 O ASN A 34 -20.177 -15.095 18.792 1.00 0.00 O ATOM 519 CB ASN A 34 -20.334 -13.591 21.982 1.00 0.00 C ATOM 520 CG ASN A 34 -19.493 -13.310 23.229 1.00 0.00 C ATOM 521 OD1 ASN A 34 -18.729 -14.150 23.663 1.00 0.00 O ATOM 522 ND2 ASN A 34 -19.602 -12.156 23.828 1.00 0.00 N ATOM 0 H ASN A 34 -17.933 -12.985 21.637 1.00 0.00 H new ATOM 0 HA ASN A 34 -19.381 -15.346 21.181 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -20.733 -12.659 21.581 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -21.188 -14.218 22.240 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -19.046 -11.959 24.660 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -20.243 -11.451 23.464 1.00 0.00 H new ATOM 529 N ASN A 35 -20.587 -12.990 19.214 1.00 0.00 N ATOM 530 CA ASN A 35 -21.223 -12.798 17.879 1.00 0.00 C ATOM 531 C ASN A 35 -20.137 -12.566 16.824 1.00 0.00 C ATOM 532 O ASN A 35 -19.108 -11.983 17.100 1.00 0.00 O ATOM 533 CB ASN A 35 -22.156 -11.585 17.949 1.00 0.00 C ATOM 534 CG ASN A 35 -22.693 -11.249 16.557 1.00 0.00 C ATOM 535 OD1 ASN A 35 -21.938 -10.911 15.667 1.00 0.00 O ATOM 536 ND2 ASN A 35 -23.977 -11.329 16.332 1.00 0.00 N ATOM 0 H ASN A 35 -20.564 -12.160 19.806 1.00 0.00 H new ATOM 0 HA ASN A 35 -21.796 -13.684 17.605 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -22.985 -11.793 18.626 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -21.620 -10.728 18.356 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -24.348 -11.108 15.408 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -24.609 -11.613 17.080 1.00 0.00 H new ATOM 543 N PRO A 36 -20.376 -13.024 15.584 1.00 0.00 N ATOM 544 CA PRO A 36 -19.421 -12.858 14.479 1.00 0.00 C ATOM 545 C PRO A 36 -19.197 -11.380 14.150 1.00 0.00 C ATOM 546 O PRO A 36 -18.078 -10.911 14.105 1.00 0.00 O ATOM 547 CB PRO A 36 -20.101 -13.576 13.309 1.00 0.00 C ATOM 548 CG PRO A 36 -21.547 -13.551 13.661 1.00 0.00 C ATOM 549 CD PRO A 36 -21.588 -13.739 15.149 1.00 0.00 C ATOM 0 HA PRO A 36 -18.435 -13.258 14.715 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -19.912 -13.067 12.364 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -19.735 -14.597 13.200 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -22.008 -12.607 13.370 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -22.092 -14.343 13.148 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -22.491 -13.315 15.589 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -21.562 -14.792 15.428 1.00 0.00 H new ATOM 557 N CYS A 37 -20.249 -10.634 13.942 1.00 0.00 N ATOM 558 CA CYS A 37 -20.072 -9.187 13.646 1.00 0.00 C ATOM 559 C CYS A 37 -19.360 -8.547 14.838 1.00 0.00 C ATOM 560 O CYS A 37 -18.644 -7.575 14.703 1.00 0.00 O ATOM 561 CB CYS A 37 -21.443 -8.535 13.440 1.00 0.00 C ATOM 562 SG CYS A 37 -21.285 -6.732 13.517 1.00 0.00 S ATOM 0 H CYS A 37 -21.214 -10.962 13.964 1.00 0.00 H new ATOM 0 HA CYS A 37 -19.483 -9.049 12.739 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -21.856 -8.832 12.476 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -22.139 -8.881 14.205 1.00 0.00 H new ATOM 567 N MET A 38 -19.549 -9.102 16.005 1.00 0.00 N ATOM 568 CA MET A 38 -18.882 -8.550 17.215 1.00 0.00 C ATOM 569 C MET A 38 -17.371 -8.742 17.081 1.00 0.00 C ATOM 570 O MET A 38 -16.590 -8.085 17.741 1.00 0.00 O ATOM 571 CB MET A 38 -19.392 -9.290 18.455 1.00 0.00 C ATOM 572 CG MET A 38 -20.586 -8.537 19.044 1.00 0.00 C ATOM 573 SD MET A 38 -20.067 -6.879 19.549 1.00 0.00 S ATOM 574 CE MET A 38 -19.091 -7.376 20.989 1.00 0.00 C ATOM 0 H MET A 38 -20.139 -9.917 16.171 1.00 0.00 H new ATOM 0 HA MET A 38 -19.106 -7.488 17.314 1.00 0.00 H new ATOM 0 HB2 MET A 38 -19.684 -10.306 18.190 1.00 0.00 H new ATOM 0 HB3 MET A 38 -18.597 -9.370 19.197 1.00 0.00 H new ATOM 0 HG2 MET A 38 -21.386 -8.470 18.307 1.00 0.00 H new ATOM 0 HG3 MET A 38 -20.986 -9.081 19.900 1.00 0.00 H new ATOM 0 HE1 MET A 38 -19.057 -6.556 21.706 1.00 0.00 H new ATOM 0 HE2 MET A 38 -19.550 -8.247 21.456 1.00 0.00 H new ATOM 0 HE3 MET A 38 -18.078 -7.625 20.673 1.00 0.00 H new ATOM 584 N LEU A 39 -16.949 -9.631 16.220 1.00 0.00 N ATOM 585 CA LEU A 39 -15.488 -9.851 16.037 1.00 0.00 C ATOM 586 C LEU A 39 -14.880 -8.593 15.418 1.00 0.00 C ATOM 587 O LEU A 39 -13.933 -8.031 15.932 1.00 0.00 O ATOM 588 CB LEU A 39 -15.254 -11.047 15.111 1.00 0.00 C ATOM 589 CG LEU A 39 -13.752 -11.224 14.879 1.00 0.00 C ATOM 590 CD1 LEU A 39 -13.424 -12.712 14.738 1.00 0.00 C ATOM 591 CD2 LEU A 39 -13.347 -10.494 13.600 1.00 0.00 C ATOM 0 H LEU A 39 -17.553 -10.212 15.638 1.00 0.00 H new ATOM 0 HA LEU A 39 -15.021 -10.057 17.000 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -15.674 -11.951 15.553 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -15.764 -10.890 14.160 1.00 0.00 H new ATOM 0 HG LEU A 39 -13.205 -10.811 15.727 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -12.354 -12.835 14.573 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -13.713 -13.236 15.649 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -13.971 -13.127 13.892 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -12.277 -10.619 13.433 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -13.897 -10.908 12.755 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -13.577 -9.433 13.698 1.00 0.00 H new ATOM 603 N CYS A 40 -15.430 -8.133 14.326 1.00 0.00 N ATOM 604 CA CYS A 40 -14.893 -6.897 13.692 1.00 0.00 C ATOM 605 C CYS A 40 -14.791 -5.814 14.764 1.00 0.00 C ATOM 606 O CYS A 40 -13.985 -4.911 14.681 1.00 0.00 O ATOM 607 CB CYS A 40 -15.835 -6.434 12.582 1.00 0.00 C ATOM 608 SG CYS A 40 -15.058 -5.079 11.677 1.00 0.00 S ATOM 0 H CYS A 40 -16.224 -8.558 13.848 1.00 0.00 H new ATOM 0 HA CYS A 40 -13.912 -7.093 13.260 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -16.055 -7.260 11.906 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -16.785 -6.108 13.006 1.00 0.00 H new ATOM 613 N HIS A 41 -15.598 -5.911 15.782 1.00 0.00 N ATOM 614 CA HIS A 41 -15.543 -4.904 16.873 1.00 0.00 C ATOM 615 C HIS A 41 -14.147 -4.931 17.489 1.00 0.00 C ATOM 616 O HIS A 41 -13.501 -3.912 17.637 1.00 0.00 O ATOM 617 CB HIS A 41 -16.578 -5.263 17.936 1.00 0.00 C ATOM 618 CG HIS A 41 -16.931 -4.035 18.729 1.00 0.00 C ATOM 619 ND1 HIS A 41 -17.490 -2.911 18.143 1.00 0.00 N ATOM 620 CD2 HIS A 41 -16.805 -3.738 20.063 1.00 0.00 C ATOM 621 CE1 HIS A 41 -17.680 -1.998 19.113 1.00 0.00 C ATOM 622 NE2 HIS A 41 -17.278 -2.452 20.304 1.00 0.00 N ATOM 0 H HIS A 41 -16.294 -6.646 15.905 1.00 0.00 H new ATOM 0 HA HIS A 41 -15.756 -3.909 16.482 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -17.471 -5.674 17.465 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -16.183 -6.034 18.597 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -16.400 -4.402 20.812 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -18.105 -1.019 18.949 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -17.311 -1.961 21.198 1.00 0.00 H new ATOM 630 N GLU A 42 -13.670 -6.094 17.836 1.00 0.00 N ATOM 631 CA GLU A 42 -12.310 -6.193 18.425 1.00 0.00 C ATOM 632 C GLU A 42 -11.306 -5.620 17.428 1.00 0.00 C ATOM 633 O GLU A 42 -10.200 -5.256 17.780 1.00 0.00 O ATOM 634 CB GLU A 42 -11.975 -7.660 18.704 1.00 0.00 C ATOM 635 CG GLU A 42 -10.891 -7.743 19.780 1.00 0.00 C ATOM 636 CD GLU A 42 -11.456 -7.250 21.114 1.00 0.00 C ATOM 637 OE1 GLU A 42 -12.656 -7.360 21.302 1.00 0.00 O ATOM 638 OE2 GLU A 42 -10.679 -6.773 21.924 1.00 0.00 O ATOM 0 H GLU A 42 -14.166 -6.980 17.736 1.00 0.00 H new ATOM 0 HA GLU A 42 -12.268 -5.636 19.361 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -12.868 -8.192 19.032 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -11.632 -8.145 17.790 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -10.540 -8.770 19.879 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -10.031 -7.139 19.492 1.00 0.00 H new ATOM 645 N ASN A 43 -11.685 -5.530 16.181 1.00 0.00 N ATOM 646 CA ASN A 43 -10.749 -4.969 15.163 1.00 0.00 C ATOM 647 C ASN A 43 -10.743 -3.445 15.282 1.00 0.00 C ATOM 648 O ASN A 43 -9.730 -2.803 15.108 1.00 0.00 O ATOM 649 CB ASN A 43 -11.200 -5.368 13.754 1.00 0.00 C ATOM 650 CG ASN A 43 -11.047 -6.878 13.570 1.00 0.00 C ATOM 651 OD1 ASN A 43 -10.198 -7.327 12.825 1.00 0.00 O ATOM 652 ND2 ASN A 43 -11.837 -7.688 14.219 1.00 0.00 N ATOM 0 H ASN A 43 -12.596 -5.819 15.825 1.00 0.00 H new ATOM 0 HA ASN A 43 -9.748 -5.363 15.337 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -12.239 -5.077 13.599 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -10.606 -4.839 13.009 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -11.742 -8.697 14.101 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -12.550 -7.313 14.845 1.00 0.00 H new ATOM 659 N LEU A 44 -11.870 -2.863 15.584 1.00 0.00 N ATOM 660 CA LEU A 44 -11.929 -1.381 15.721 1.00 0.00 C ATOM 661 C LEU A 44 -11.157 -0.957 16.972 1.00 0.00 C ATOM 662 O LEU A 44 -10.543 0.090 17.012 1.00 0.00 O ATOM 663 CB LEU A 44 -13.391 -0.947 15.853 1.00 0.00 C ATOM 664 CG LEU A 44 -13.508 0.556 15.601 1.00 0.00 C ATOM 665 CD1 LEU A 44 -12.809 1.322 16.727 1.00 0.00 C ATOM 666 CD2 LEU A 44 -12.854 0.902 14.262 1.00 0.00 C ATOM 0 H LEU A 44 -12.753 -3.349 15.742 1.00 0.00 H new ATOM 0 HA LEU A 44 -11.485 -0.911 14.843 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -14.008 -1.494 15.140 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -13.763 -1.189 16.849 1.00 0.00 H new ATOM 0 HG LEU A 44 -14.561 0.837 15.573 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -12.894 2.393 16.545 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -13.279 1.077 17.680 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -11.756 1.041 16.759 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -12.938 1.974 14.082 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -11.802 0.619 14.287 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -13.356 0.360 13.461 1.00 0.00 H new ATOM 678 N ILE A 45 -11.192 -1.763 17.996 1.00 0.00 N ATOM 679 CA ILE A 45 -10.470 -1.413 19.254 1.00 0.00 C ATOM 680 C ILE A 45 -8.962 -1.612 19.069 1.00 0.00 C ATOM 681 O ILE A 45 -8.176 -0.720 19.322 1.00 0.00 O ATOM 682 CB ILE A 45 -10.959 -2.316 20.391 1.00 0.00 C ATOM 683 CG1 ILE A 45 -12.473 -2.506 20.280 1.00 0.00 C ATOM 684 CG2 ILE A 45 -10.624 -1.670 21.737 1.00 0.00 C ATOM 685 CD1 ILE A 45 -13.148 -1.142 20.120 1.00 0.00 C ATOM 0 H ILE A 45 -11.691 -2.652 18.017 1.00 0.00 H new ATOM 0 HA ILE A 45 -10.668 -0.369 19.497 1.00 0.00 H new ATOM 0 HB ILE A 45 -10.466 -3.285 20.320 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -12.709 -3.143 19.427 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -12.853 -3.010 21.169 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -10.972 -2.313 22.546 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -9.545 -1.537 21.818 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -11.116 -0.700 21.807 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -14.227 -1.277 20.041 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -12.923 -0.521 20.987 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -12.776 -0.656 19.218 1.00 0.00 H new ATOM 697 N ARG A 46 -8.549 -2.776 18.645 1.00 0.00 N ATOM 698 CA ARG A 46 -7.089 -3.028 18.466 1.00 0.00 C ATOM 699 C ARG A 46 -6.646 -2.617 17.059 1.00 0.00 C ATOM 700 O ARG A 46 -5.516 -2.223 16.849 1.00 0.00 O ATOM 701 CB ARG A 46 -6.802 -4.516 18.675 1.00 0.00 C ATOM 702 CG ARG A 46 -7.046 -4.878 20.141 1.00 0.00 C ATOM 703 CD ARG A 46 -6.380 -6.218 20.456 1.00 0.00 C ATOM 704 NE ARG A 46 -6.666 -6.594 21.869 1.00 0.00 N ATOM 705 CZ ARG A 46 -6.637 -5.682 22.803 1.00 0.00 C ATOM 706 NH1 ARG A 46 -5.708 -4.765 22.791 1.00 0.00 N ATOM 707 NH2 ARG A 46 -7.537 -5.687 23.748 1.00 0.00 N ATOM 0 H ARG A 46 -9.157 -3.562 18.415 1.00 0.00 H new ATOM 0 HA ARG A 46 -6.536 -2.437 19.196 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -7.443 -5.116 18.029 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -5.772 -4.741 18.400 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -6.645 -4.100 20.790 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -8.116 -4.937 20.338 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -6.752 -6.989 19.781 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -5.304 -6.148 20.298 1.00 0.00 H new ATOM 0 HE ARG A 46 -6.884 -7.562 22.106 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -5.005 -4.761 22.052 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -5.685 -4.053 23.521 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -8.263 -6.403 23.757 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -7.514 -4.975 24.478 1.00 0.00 H new ATOM 721 N GLN A 47 -7.517 -2.711 16.094 1.00 0.00 N ATOM 722 CA GLN A 47 -7.128 -2.328 14.706 1.00 0.00 C ATOM 723 C GLN A 47 -6.001 -3.245 14.226 1.00 0.00 C ATOM 724 O GLN A 47 -5.095 -2.823 13.534 1.00 0.00 O ATOM 725 CB GLN A 47 -6.645 -0.876 14.692 1.00 0.00 C ATOM 726 CG GLN A 47 -7.779 0.043 15.150 1.00 0.00 C ATOM 727 CD GLN A 47 -7.337 1.503 15.021 1.00 0.00 C ATOM 728 OE1 GLN A 47 -6.159 1.787 14.930 1.00 0.00 O ATOM 729 NE2 GLN A 47 -8.238 2.447 15.010 1.00 0.00 N ATOM 0 H GLN A 47 -8.478 -3.035 16.204 1.00 0.00 H new ATOM 0 HA GLN A 47 -7.989 -2.429 14.045 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -5.783 -0.762 15.349 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -6.321 -0.599 13.689 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -8.670 -0.133 14.547 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -8.045 -0.178 16.184 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -9.227 2.209 15.086 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -7.953 3.423 14.925 1.00 0.00 H new ATOM 738 N THR A 48 -6.048 -4.497 14.592 1.00 0.00 N ATOM 739 CA THR A 48 -4.979 -5.441 14.161 1.00 0.00 C ATOM 740 C THR A 48 -5.480 -6.288 12.989 1.00 0.00 C ATOM 741 O THR A 48 -4.819 -7.210 12.550 1.00 0.00 O ATOM 742 CB THR A 48 -4.609 -6.356 15.329 1.00 0.00 C ATOM 743 OG1 THR A 48 -5.734 -7.151 15.681 1.00 0.00 O ATOM 744 CG2 THR A 48 -4.186 -5.509 16.529 1.00 0.00 C ATOM 0 H THR A 48 -6.781 -4.907 15.171 1.00 0.00 H new ATOM 0 HA THR A 48 -4.102 -4.875 13.847 1.00 0.00 H new ATOM 0 HB THR A 48 -3.783 -7.004 15.035 1.00 0.00 H new ATOM 0 HG1 THR A 48 -5.448 -8.078 15.823 1.00 0.00 H new ATOM 0 HG21 THR A 48 -3.923 -6.162 17.361 1.00 0.00 H new ATOM 0 HG22 THR A 48 -3.323 -4.900 16.259 1.00 0.00 H new ATOM 0 HG23 THR A 48 -5.010 -4.860 16.825 1.00 0.00 H new ATOM 752 N ASN A 49 -6.641 -5.986 12.477 1.00 0.00 N ATOM 753 CA ASN A 49 -7.179 -6.774 11.333 1.00 0.00 C ATOM 754 C ASN A 49 -7.368 -8.232 11.759 1.00 0.00 C ATOM 755 O ASN A 49 -6.906 -9.144 11.102 1.00 0.00 O ATOM 756 CB ASN A 49 -6.195 -6.709 10.163 1.00 0.00 C ATOM 757 CG ASN A 49 -6.086 -5.265 9.668 1.00 0.00 C ATOM 758 OD1 ASN A 49 -6.835 -4.407 10.091 1.00 0.00 O ATOM 759 ND2 ASN A 49 -5.179 -4.959 8.781 1.00 0.00 N ATOM 0 H ASN A 49 -7.241 -5.227 12.802 1.00 0.00 H new ATOM 0 HA ASN A 49 -8.139 -6.359 11.026 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -5.216 -7.072 10.476 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -6.532 -7.358 9.354 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -5.099 -4.000 8.443 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -4.550 -5.679 8.426 1.00 0.00 H new ATOM 766 N THR A 50 -8.047 -8.460 12.850 1.00 0.00 N ATOM 767 CA THR A 50 -8.266 -9.861 13.308 1.00 0.00 C ATOM 768 C THR A 50 -9.352 -10.509 12.448 1.00 0.00 C ATOM 769 O THR A 50 -10.332 -9.884 12.095 1.00 0.00 O ATOM 770 CB THR A 50 -8.707 -9.861 14.775 1.00 0.00 C ATOM 771 OG1 THR A 50 -7.753 -9.153 15.553 1.00 0.00 O ATOM 772 CG2 THR A 50 -8.813 -11.302 15.281 1.00 0.00 C ATOM 0 H THR A 50 -8.458 -7.739 13.442 1.00 0.00 H new ATOM 0 HA THR A 50 -7.338 -10.424 13.212 1.00 0.00 H new ATOM 0 HB THR A 50 -9.680 -9.377 14.862 1.00 0.00 H new ATOM 0 HG1 THR A 50 -6.853 -9.478 15.342 1.00 0.00 H new ATOM 0 HG21 THR A 50 -9.127 -11.299 16.325 1.00 0.00 H new ATOM 0 HG22 THR A 50 -9.546 -11.845 14.683 1.00 0.00 H new ATOM 0 HG23 THR A 50 -7.842 -11.790 15.196 1.00 0.00 H new ATOM 780 N HIS A 51 -9.186 -11.756 12.105 1.00 0.00 N ATOM 781 CA HIS A 51 -10.209 -12.439 11.266 1.00 0.00 C ATOM 782 C HIS A 51 -10.781 -13.635 12.026 1.00 0.00 C ATOM 783 O HIS A 51 -10.444 -13.875 13.169 1.00 0.00 O ATOM 784 CB HIS A 51 -9.561 -12.930 9.972 1.00 0.00 C ATOM 785 CG HIS A 51 -8.564 -11.913 9.492 1.00 0.00 C ATOM 786 ND1 HIS A 51 -8.918 -10.878 8.642 1.00 0.00 N ATOM 787 CD2 HIS A 51 -7.220 -11.756 9.733 1.00 0.00 C ATOM 788 CE1 HIS A 51 -7.811 -10.150 8.405 1.00 0.00 C ATOM 789 NE2 HIS A 51 -6.748 -10.643 9.045 1.00 0.00 N ATOM 0 H HIS A 51 -8.386 -12.331 12.369 1.00 0.00 H new ATOM 0 HA HIS A 51 -11.010 -11.737 11.033 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -9.067 -13.887 10.141 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -10.324 -13.094 9.211 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -6.621 -12.399 10.361 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -7.786 -9.274 7.774 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -5.794 -10.281 9.032 1.00 0.00 H new ATOM 797 N ILE A 52 -11.644 -14.387 11.400 1.00 0.00 N ATOM 798 CA ILE A 52 -12.233 -15.567 12.088 1.00 0.00 C ATOM 799 C ILE A 52 -11.328 -16.783 11.885 1.00 0.00 C ATOM 800 O ILE A 52 -11.019 -17.163 10.773 1.00 0.00 O ATOM 801 CB ILE A 52 -13.619 -15.863 11.514 1.00 0.00 C ATOM 802 CG1 ILE A 52 -14.562 -14.699 11.830 1.00 0.00 C ATOM 803 CG2 ILE A 52 -14.161 -17.145 12.146 1.00 0.00 C ATOM 804 CD1 ILE A 52 -16.000 -15.101 11.492 1.00 0.00 C ATOM 0 H ILE A 52 -11.965 -14.235 10.444 1.00 0.00 H new ATOM 0 HA ILE A 52 -12.322 -15.353 13.153 1.00 0.00 H new ATOM 0 HB ILE A 52 -13.549 -15.988 10.433 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -14.486 -14.431 12.884 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -14.275 -13.818 11.256 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -15.149 -17.361 11.740 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -13.488 -17.973 11.923 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -14.232 -17.016 13.226 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -16.672 -14.273 11.717 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -16.069 -15.347 10.432 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -16.284 -15.970 12.086 1.00 0.00 H new ATOM 816 N ARG A 53 -10.904 -17.393 12.954 1.00 0.00 N ATOM 817 CA ARG A 53 -10.021 -18.586 12.841 1.00 0.00 C ATOM 818 C ARG A 53 -10.869 -19.821 12.552 1.00 0.00 C ATOM 819 O ARG A 53 -10.666 -20.520 11.581 1.00 0.00 O ATOM 820 CB ARG A 53 -9.278 -18.788 14.161 1.00 0.00 C ATOM 821 CG ARG A 53 -8.228 -19.887 13.997 1.00 0.00 C ATOM 822 CD ARG A 53 -7.142 -19.418 13.026 1.00 0.00 C ATOM 823 NE ARG A 53 -6.157 -20.515 12.816 1.00 0.00 N ATOM 824 CZ ARG A 53 -5.946 -20.982 11.616 1.00 0.00 C ATOM 825 NH1 ARG A 53 -6.957 -21.267 10.840 1.00 0.00 N ATOM 826 NH2 ARG A 53 -4.726 -21.161 11.190 1.00 0.00 N ATOM 0 H ARG A 53 -11.133 -17.115 13.908 1.00 0.00 H new ATOM 0 HA ARG A 53 -9.306 -18.435 12.032 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -8.800 -17.857 14.467 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -9.982 -19.058 14.948 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -7.786 -20.129 14.964 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -8.696 -20.798 13.623 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -7.589 -19.129 12.075 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -6.640 -18.535 13.423 1.00 0.00 H new ATOM 0 HE ARG A 53 -5.647 -20.901 13.610 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -7.911 -21.124 11.172 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -6.793 -21.632 9.902 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -3.936 -20.936 11.795 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -4.562 -21.526 10.252 1.00 0.00 H new ATOM 840 N SER A 54 -11.818 -20.091 13.399 1.00 0.00 N ATOM 841 CA SER A 54 -12.689 -21.278 13.195 1.00 0.00 C ATOM 842 C SER A 54 -14.076 -20.980 13.760 1.00 0.00 C ATOM 843 O SER A 54 -14.215 -20.349 14.789 1.00 0.00 O ATOM 844 CB SER A 54 -12.085 -22.482 13.919 1.00 0.00 C ATOM 845 OG SER A 54 -10.857 -22.839 13.302 1.00 0.00 O ATOM 0 H SER A 54 -12.029 -19.537 14.229 1.00 0.00 H new ATOM 0 HA SER A 54 -12.768 -21.502 12.131 1.00 0.00 H new ATOM 0 HB2 SER A 54 -11.920 -22.243 14.970 1.00 0.00 H new ATOM 0 HB3 SER A 54 -12.778 -23.323 13.888 1.00 0.00 H new ATOM 0 HG SER A 54 -10.469 -23.610 13.767 1.00 0.00 H new ATOM 851 N THR A 55 -15.105 -21.421 13.095 1.00 0.00 N ATOM 852 CA THR A 55 -16.481 -21.153 13.596 1.00 0.00 C ATOM 853 C THR A 55 -16.634 -21.731 15.003 1.00 0.00 C ATOM 854 O THR A 55 -16.085 -22.766 15.327 1.00 0.00 O ATOM 855 CB THR A 55 -17.502 -21.803 12.661 1.00 0.00 C ATOM 856 OG1 THR A 55 -17.540 -23.203 12.902 1.00 0.00 O ATOM 857 CG2 THR A 55 -17.101 -21.544 11.207 1.00 0.00 C ATOM 0 H THR A 55 -15.054 -21.955 12.227 1.00 0.00 H new ATOM 0 HA THR A 55 -16.652 -20.077 13.626 1.00 0.00 H new ATOM 0 HB THR A 55 -18.488 -21.376 12.846 1.00 0.00 H new ATOM 0 HG1 THR A 55 -18.195 -23.620 12.304 1.00 0.00 H new ATOM 0 HG21 THR A 55 -17.829 -22.007 10.541 1.00 0.00 H new ATOM 0 HG22 THR A 55 -17.073 -20.470 11.023 1.00 0.00 H new ATOM 0 HG23 THR A 55 -16.115 -21.970 11.020 1.00 0.00 H new ATOM 865 N GLY A 56 -17.377 -21.065 15.842 1.00 0.00 N ATOM 866 CA GLY A 56 -17.569 -21.563 17.231 1.00 0.00 C ATOM 867 C GLY A 56 -16.431 -21.060 18.113 1.00 0.00 C ATOM 868 O GLY A 56 -15.396 -20.640 17.636 1.00 0.00 O ATOM 0 H GLY A 56 -17.861 -20.194 15.624 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -18.526 -21.219 17.623 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -17.594 -22.653 17.238 1.00 0.00 H new ATOM 872 N LYS A 57 -16.619 -21.104 19.398 1.00 0.00 N ATOM 873 CA LYS A 57 -15.554 -20.633 20.327 1.00 0.00 C ATOM 874 C LYS A 57 -14.387 -21.621 20.304 1.00 0.00 C ATOM 875 O LYS A 57 -14.574 -22.819 20.387 1.00 0.00 O ATOM 876 CB LYS A 57 -16.116 -20.543 21.746 1.00 0.00 C ATOM 877 CG LYS A 57 -17.177 -19.443 21.809 1.00 0.00 C ATOM 878 CD LYS A 57 -17.353 -18.987 23.257 1.00 0.00 C ATOM 879 CE LYS A 57 -18.539 -18.024 23.349 1.00 0.00 C ATOM 880 NZ LYS A 57 -19.724 -18.747 23.891 1.00 0.00 N ATOM 0 H LYS A 57 -17.467 -21.447 19.850 1.00 0.00 H new ATOM 0 HA LYS A 57 -15.206 -19.649 20.012 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -16.551 -21.499 22.037 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -15.314 -20.330 22.453 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -16.880 -18.600 21.185 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -18.124 -19.813 21.415 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -17.520 -19.849 23.903 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -16.445 -18.497 23.608 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -18.288 -17.181 23.993 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -18.767 -17.616 22.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -20.531 -18.093 23.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -19.967 -19.537 23.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -19.503 -19.116 24.838 1.00 0.00 H new ATOM 894 N CYS A 58 -13.184 -21.131 20.192 1.00 0.00 N ATOM 895 CA CYS A 58 -12.009 -22.045 20.164 1.00 0.00 C ATOM 896 C CYS A 58 -11.959 -22.848 21.464 1.00 0.00 C ATOM 897 O CYS A 58 -11.506 -23.975 21.493 1.00 0.00 O ATOM 898 CB CYS A 58 -10.727 -21.224 20.022 1.00 0.00 C ATOM 899 SG CYS A 58 -10.096 -21.382 18.334 1.00 0.00 S ATOM 0 H CYS A 58 -12.964 -20.138 20.119 1.00 0.00 H new ATOM 0 HA CYS A 58 -12.098 -22.727 19.318 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -10.925 -20.177 20.251 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -9.979 -21.570 20.735 1.00 0.00 H new