USER MOD reduce.3.24.130724 H: found=0, std=0, add=435, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 434 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 85:sc= 0.0697 USER MOD Set 1.2: A 50 THR OG1 : rot -81:sc= 0.691 USER MOD Set 2.1: A 31 GLN : amide:sc= -3.38 K(o=-3.3,f=-11!) USER MOD Set 2.2: A 33 TYR OH : rot -104:sc= 0.0401 USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot 30:sc= -4.9! USER MOD Single : A 16 TYR OH : rot -144:sc= 0.559 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 -21:sc= 0.632 USER MOD Single : A 34 ASN :FLIP amide:sc= -1.16! C(o=-2.7!,f=-1.2!) USER MOD Single : A 35 ASN : amide:sc= -7.24! C(o=-7.2!,f=-20!) USER MOD Single : A 38 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 HIS : no HD1:sc= -2.97! C(o=-3!,f=-5.8!) USER MOD Single : A 43 ASN : amide:sc= -3.8 K(o=-3.8,f=-4.9!) USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 49 ASN : amide:sc= -0.129 K(o=-0.13,f=-2.4!) USER MOD Single : A 51 HIS : no HD1:sc= -1.05 X(o=-1.1,f=-1.1) USER MOD Single : A 54 SER OG : rot 4:sc= 1.14 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 4.892 -30.051 1.914 1.00 0.00 N ATOM 42 CA MET A 4 5.117 -30.469 0.503 1.00 0.00 C ATOM 43 C MET A 4 6.570 -30.183 0.124 1.00 0.00 C ATOM 44 O MET A 4 7.167 -30.885 -0.669 1.00 0.00 O ATOM 45 CB MET A 4 4.183 -29.686 -0.421 1.00 0.00 C ATOM 46 CG MET A 4 2.731 -29.948 -0.018 1.00 0.00 C ATOM 47 SD MET A 4 1.628 -28.973 -1.070 1.00 0.00 S ATOM 48 CE MET A 4 0.068 -29.513 -0.331 1.00 0.00 C ATOM 0 HA MET A 4 4.912 -31.534 0.399 1.00 0.00 H new ATOM 0 HB2 MET A 4 4.402 -28.620 -0.359 1.00 0.00 H new ATOM 0 HB3 MET A 4 4.344 -29.985 -1.457 1.00 0.00 H new ATOM 0 HG2 MET A 4 2.501 -31.009 -0.116 1.00 0.00 H new ATOM 0 HG3 MET A 4 2.580 -29.684 1.029 1.00 0.00 H new ATOM 0 HE1 MET A 4 -0.764 -29.024 -0.839 1.00 0.00 H new ATOM 0 HE2 MET A 4 -0.029 -30.594 -0.434 1.00 0.00 H new ATOM 0 HE3 MET A 4 0.055 -29.247 0.726 1.00 0.00 H new ATOM 58 N CYS A 5 7.144 -29.157 0.689 1.00 0.00 N ATOM 59 CA CYS A 5 8.560 -28.823 0.370 1.00 0.00 C ATOM 60 C CYS A 5 9.489 -29.738 1.173 1.00 0.00 C ATOM 61 O CYS A 5 10.692 -29.718 1.006 1.00 0.00 O ATOM 62 CB CYS A 5 8.841 -27.365 0.740 1.00 0.00 C ATOM 63 SG CYS A 5 7.399 -26.353 0.349 1.00 0.00 S ATOM 0 H CYS A 5 6.692 -28.535 1.359 1.00 0.00 H new ATOM 0 HA CYS A 5 8.735 -28.966 -0.696 1.00 0.00 H new ATOM 0 HB2 CYS A 5 9.075 -27.287 1.802 1.00 0.00 H new ATOM 0 HB3 CYS A 5 9.712 -27.002 0.194 1.00 0.00 H new ATOM 68 N LYS A 6 8.939 -30.538 2.045 1.00 0.00 N ATOM 69 CA LYS A 6 9.790 -31.450 2.859 1.00 0.00 C ATOM 70 C LYS A 6 10.535 -32.418 1.938 1.00 0.00 C ATOM 71 O LYS A 6 11.565 -32.957 2.292 1.00 0.00 O ATOM 72 CB LYS A 6 8.907 -32.242 3.825 1.00 0.00 C ATOM 73 CG LYS A 6 8.430 -31.318 4.947 1.00 0.00 C ATOM 74 CD LYS A 6 7.888 -32.158 6.104 1.00 0.00 C ATOM 75 CE LYS A 6 7.311 -31.233 7.179 1.00 0.00 C ATOM 76 NZ LYS A 6 8.356 -30.951 8.204 1.00 0.00 N ATOM 0 H LYS A 6 7.938 -30.599 2.229 1.00 0.00 H new ATOM 0 HA LYS A 6 10.513 -30.862 3.424 1.00 0.00 H new ATOM 0 HB2 LYS A 6 8.052 -32.660 3.294 1.00 0.00 H new ATOM 0 HB3 LYS A 6 9.465 -33.081 4.241 1.00 0.00 H new ATOM 0 HG2 LYS A 6 9.253 -30.693 5.292 1.00 0.00 H new ATOM 0 HG3 LYS A 6 7.655 -30.648 4.576 1.00 0.00 H new ATOM 0 HD2 LYS A 6 7.117 -32.839 5.743 1.00 0.00 H new ATOM 0 HD3 LYS A 6 8.684 -32.772 6.526 1.00 0.00 H new ATOM 0 HE2 LYS A 6 6.969 -30.302 6.727 1.00 0.00 H new ATOM 0 HE3 LYS A 6 6.443 -31.698 7.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 7.965 -30.323 8.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 8.662 -31.843 8.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 9.171 -30.490 7.751 1.00 0.00 H new ATOM 90 N ASP A 7 10.024 -32.645 0.759 1.00 0.00 N ATOM 91 CA ASP A 7 10.708 -33.581 -0.178 1.00 0.00 C ATOM 92 C ASP A 7 10.410 -33.181 -1.625 1.00 0.00 C ATOM 93 O ASP A 7 9.791 -33.918 -2.367 1.00 0.00 O ATOM 94 CB ASP A 7 10.205 -35.005 0.068 1.00 0.00 C ATOM 95 CG ASP A 7 10.926 -35.970 -0.876 1.00 0.00 C ATOM 96 OD1 ASP A 7 11.825 -35.526 -1.571 1.00 0.00 O ATOM 97 OD2 ASP A 7 10.566 -37.136 -0.888 1.00 0.00 O ATOM 0 H ASP A 7 9.165 -32.224 0.405 1.00 0.00 H new ATOM 0 HA ASP A 7 11.784 -33.536 -0.007 1.00 0.00 H new ATOM 0 HB2 ASP A 7 10.384 -35.291 1.104 1.00 0.00 H new ATOM 0 HB3 ASP A 7 9.129 -35.055 -0.096 1.00 0.00 H new ATOM 102 N TYR A 8 10.855 -32.026 -2.039 1.00 0.00 N ATOM 103 CA TYR A 8 10.603 -31.592 -3.443 1.00 0.00 C ATOM 104 C TYR A 8 11.940 -31.279 -4.121 1.00 0.00 C ATOM 105 O TYR A 8 12.982 -31.301 -3.496 1.00 0.00 O ATOM 106 CB TYR A 8 9.705 -30.348 -3.447 1.00 0.00 C ATOM 107 CG TYR A 8 10.520 -29.117 -3.120 1.00 0.00 C ATOM 108 CD1 TYR A 8 11.045 -28.945 -1.835 1.00 0.00 C ATOM 109 CD2 TYR A 8 10.749 -28.149 -4.106 1.00 0.00 C ATOM 110 CE1 TYR A 8 11.801 -27.807 -1.534 1.00 0.00 C ATOM 111 CE2 TYR A 8 11.505 -27.009 -3.805 1.00 0.00 C ATOM 112 CZ TYR A 8 12.031 -26.838 -2.518 1.00 0.00 C ATOM 113 OH TYR A 8 12.777 -25.717 -2.222 1.00 0.00 O ATOM 0 H TYR A 8 11.381 -31.365 -1.467 1.00 0.00 H new ATOM 0 HA TYR A 8 10.100 -32.390 -3.990 1.00 0.00 H new ATOM 0 HB2 TYR A 8 9.234 -30.233 -4.423 1.00 0.00 H new ATOM 0 HB3 TYR A 8 8.903 -30.467 -2.718 1.00 0.00 H new ATOM 0 HD1 TYR A 8 10.867 -29.691 -1.075 1.00 0.00 H new ATOM 0 HD2 TYR A 8 10.343 -28.282 -5.098 1.00 0.00 H new ATOM 0 HE1 TYR A 8 12.207 -27.676 -0.542 1.00 0.00 H new ATOM 0 HE2 TYR A 8 11.682 -26.262 -4.565 1.00 0.00 H new ATOM 0 HH TYR A 8 13.436 -25.936 -1.531 1.00 0.00 H new ATOM 123 N ARG A 9 11.923 -30.991 -5.393 1.00 0.00 N ATOM 124 CA ARG A 9 13.198 -30.681 -6.100 1.00 0.00 C ATOM 125 C ARG A 9 12.937 -29.657 -7.206 1.00 0.00 C ATOM 126 O ARG A 9 11.887 -29.643 -7.818 1.00 0.00 O ATOM 127 CB ARG A 9 13.764 -31.964 -6.713 1.00 0.00 C ATOM 128 CG ARG A 9 14.336 -32.847 -5.602 1.00 0.00 C ATOM 129 CD ARG A 9 14.960 -34.102 -6.216 1.00 0.00 C ATOM 130 NE ARG A 9 15.143 -35.134 -5.158 1.00 0.00 N ATOM 131 CZ ARG A 9 16.254 -35.176 -4.474 1.00 0.00 C ATOM 132 NH1 ARG A 9 17.017 -36.234 -4.532 1.00 0.00 N ATOM 133 NH2 ARG A 9 16.602 -34.162 -3.731 1.00 0.00 N ATOM 0 H ARG A 9 11.084 -30.957 -5.972 1.00 0.00 H new ATOM 0 HA ARG A 9 13.915 -30.269 -5.390 1.00 0.00 H new ATOM 0 HB2 ARG A 9 12.982 -32.499 -7.252 1.00 0.00 H new ATOM 0 HB3 ARG A 9 14.542 -31.722 -7.437 1.00 0.00 H new ATOM 0 HG2 ARG A 9 15.086 -32.296 -5.035 1.00 0.00 H new ATOM 0 HG3 ARG A 9 13.548 -33.125 -4.902 1.00 0.00 H new ATOM 0 HD2 ARG A 9 14.320 -34.489 -7.009 1.00 0.00 H new ATOM 0 HD3 ARG A 9 15.920 -33.858 -6.671 1.00 0.00 H new ATOM 0 HE ARG A 9 14.401 -35.807 -4.968 1.00 0.00 H new ATOM 0 HH11 ARG A 9 16.745 -37.028 -5.112 1.00 0.00 H new ATOM 0 HH12 ARG A 9 17.885 -36.267 -3.997 1.00 0.00 H new ATOM 0 HH21 ARG A 9 16.006 -33.336 -3.684 1.00 0.00 H new ATOM 0 HH22 ARG A 9 17.470 -34.195 -3.197 1.00 0.00 H new ATOM 147 N VAL A 10 13.884 -28.797 -7.465 1.00 0.00 N ATOM 148 CA VAL A 10 13.690 -27.772 -8.529 1.00 0.00 C ATOM 149 C VAL A 10 15.024 -27.506 -9.231 1.00 0.00 C ATOM 150 O VAL A 10 16.040 -27.305 -8.595 1.00 0.00 O ATOM 151 CB VAL A 10 13.178 -26.476 -7.898 1.00 0.00 C ATOM 152 CG1 VAL A 10 13.131 -25.376 -8.959 1.00 0.00 C ATOM 153 CG2 VAL A 10 11.772 -26.701 -7.335 1.00 0.00 C ATOM 0 H VAL A 10 14.784 -28.760 -6.986 1.00 0.00 H new ATOM 0 HA VAL A 10 12.964 -28.135 -9.256 1.00 0.00 H new ATOM 0 HB VAL A 10 13.848 -26.176 -7.092 1.00 0.00 H new ATOM 0 HG11 VAL A 10 12.766 -24.452 -8.510 1.00 0.00 H new ATOM 0 HG12 VAL A 10 14.132 -25.214 -9.360 1.00 0.00 H new ATOM 0 HG13 VAL A 10 12.462 -25.676 -9.765 1.00 0.00 H new ATOM 0 HG21 VAL A 10 11.408 -25.777 -6.886 1.00 0.00 H new ATOM 0 HG22 VAL A 10 11.102 -27.002 -8.140 1.00 0.00 H new ATOM 0 HG23 VAL A 10 11.804 -27.485 -6.578 1.00 0.00 H new ATOM 163 N LEU A 11 15.030 -27.503 -10.535 1.00 0.00 N ATOM 164 CA LEU A 11 16.297 -27.251 -11.275 1.00 0.00 C ATOM 165 C LEU A 11 16.158 -25.977 -12.112 1.00 0.00 C ATOM 166 O LEU A 11 15.100 -25.381 -12.177 1.00 0.00 O ATOM 167 CB LEU A 11 16.594 -28.439 -12.193 1.00 0.00 C ATOM 168 CG LEU A 11 17.823 -29.187 -11.674 1.00 0.00 C ATOM 169 CD1 LEU A 11 17.373 -30.408 -10.869 1.00 0.00 C ATOM 170 CD2 LEU A 11 18.681 -29.644 -12.855 1.00 0.00 C ATOM 0 H LEU A 11 14.211 -27.664 -11.121 1.00 0.00 H new ATOM 0 HA LEU A 11 17.115 -27.127 -10.565 1.00 0.00 H new ATOM 0 HB2 LEU A 11 15.735 -29.109 -12.229 1.00 0.00 H new ATOM 0 HB3 LEU A 11 16.769 -28.091 -13.211 1.00 0.00 H new ATOM 0 HG LEU A 11 18.408 -28.525 -11.036 1.00 0.00 H new ATOM 0 HD11 LEU A 11 18.248 -30.942 -10.498 1.00 0.00 H new ATOM 0 HD12 LEU A 11 16.762 -30.083 -10.027 1.00 0.00 H new ATOM 0 HD13 LEU A 11 16.788 -31.069 -11.508 1.00 0.00 H new ATOM 0 HD21 LEU A 11 19.557 -30.177 -12.484 1.00 0.00 H new ATOM 0 HD22 LEU A 11 18.097 -30.306 -13.494 1.00 0.00 H new ATOM 0 HD23 LEU A 11 19.002 -28.775 -13.430 1.00 0.00 H new ATOM 182 N PRO A 12 17.252 -25.553 -12.763 1.00 0.00 N ATOM 183 CA PRO A 12 17.259 -24.345 -13.601 1.00 0.00 C ATOM 184 C PRO A 12 16.401 -24.515 -14.857 1.00 0.00 C ATOM 185 O PRO A 12 15.894 -23.558 -15.408 1.00 0.00 O ATOM 186 CB PRO A 12 18.730 -24.188 -13.986 1.00 0.00 C ATOM 187 CG PRO A 12 19.292 -25.564 -13.879 1.00 0.00 C ATOM 188 CD PRO A 12 18.568 -26.215 -12.737 1.00 0.00 C ATOM 0 HA PRO A 12 16.846 -23.482 -13.079 1.00 0.00 H new ATOM 0 HB2 PRO A 12 18.836 -23.793 -14.997 1.00 0.00 H new ATOM 0 HB3 PRO A 12 19.244 -23.496 -13.318 1.00 0.00 H new ATOM 0 HG2 PRO A 12 19.143 -26.120 -14.804 1.00 0.00 H new ATOM 0 HG3 PRO A 12 20.366 -25.534 -13.695 1.00 0.00 H new ATOM 0 HD2 PRO A 12 18.481 -27.293 -12.875 1.00 0.00 H new ATOM 0 HD3 PRO A 12 19.082 -26.056 -11.789 1.00 0.00 H new ATOM 196 N ARG A 13 16.232 -25.726 -15.312 1.00 0.00 N ATOM 197 CA ARG A 13 15.405 -25.955 -16.529 1.00 0.00 C ATOM 198 C ARG A 13 14.080 -26.606 -16.127 1.00 0.00 C ATOM 199 O ARG A 13 13.089 -26.500 -16.821 1.00 0.00 O ATOM 200 CB ARG A 13 16.155 -26.877 -17.492 1.00 0.00 C ATOM 201 CG ARG A 13 17.423 -26.178 -17.986 1.00 0.00 C ATOM 202 CD ARG A 13 18.146 -27.084 -18.983 1.00 0.00 C ATOM 203 NE ARG A 13 19.492 -26.522 -19.283 1.00 0.00 N ATOM 204 CZ ARG A 13 20.306 -26.220 -18.308 1.00 0.00 C ATOM 205 NH1 ARG A 13 20.427 -27.024 -17.288 1.00 0.00 N ATOM 206 NH2 ARG A 13 20.998 -25.114 -18.355 1.00 0.00 N ATOM 0 H ARG A 13 16.631 -26.566 -14.893 1.00 0.00 H new ATOM 0 HA ARG A 13 15.209 -25.002 -17.020 1.00 0.00 H new ATOM 0 HB2 ARG A 13 16.413 -27.810 -16.992 1.00 0.00 H new ATOM 0 HB3 ARG A 13 15.516 -27.134 -18.337 1.00 0.00 H new ATOM 0 HG2 ARG A 13 17.168 -25.229 -18.458 1.00 0.00 H new ATOM 0 HG3 ARG A 13 18.077 -25.950 -17.145 1.00 0.00 H new ATOM 0 HD2 ARG A 13 18.244 -28.089 -18.572 1.00 0.00 H new ATOM 0 HD3 ARG A 13 17.564 -27.170 -19.900 1.00 0.00 H new ATOM 0 HE ARG A 13 19.778 -26.373 -20.251 1.00 0.00 H new ATOM 0 HH11 ARG A 13 19.886 -27.888 -17.253 1.00 0.00 H new ATOM 0 HH12 ARG A 13 21.063 -26.789 -16.526 1.00 0.00 H new ATOM 0 HH21 ARG A 13 20.903 -24.486 -19.153 1.00 0.00 H new ATOM 0 HH22 ARG A 13 21.634 -24.878 -17.593 1.00 0.00 H new ATOM 220 N ILE A 14 14.057 -27.282 -15.011 1.00 0.00 N ATOM 221 CA ILE A 14 12.795 -27.941 -14.566 1.00 0.00 C ATOM 222 C ILE A 14 11.907 -26.919 -13.855 1.00 0.00 C ATOM 223 O ILE A 14 10.711 -26.870 -14.064 1.00 0.00 O ATOM 224 CB ILE A 14 13.129 -29.083 -13.603 1.00 0.00 C ATOM 225 CG1 ILE A 14 14.044 -30.090 -14.301 1.00 0.00 C ATOM 226 CG2 ILE A 14 11.836 -29.781 -13.174 1.00 0.00 C ATOM 227 CD1 ILE A 14 13.450 -30.467 -15.658 1.00 0.00 C ATOM 0 H ILE A 14 14.856 -27.407 -14.389 1.00 0.00 H new ATOM 0 HA ILE A 14 12.268 -28.338 -15.434 1.00 0.00 H new ATOM 0 HB ILE A 14 13.635 -28.681 -12.725 1.00 0.00 H new ATOM 0 HG12 ILE A 14 15.038 -29.663 -14.434 1.00 0.00 H new ATOM 0 HG13 ILE A 14 14.160 -30.981 -13.683 1.00 0.00 H new ATOM 0 HG21 ILE A 14 12.072 -30.595 -12.488 1.00 0.00 H new ATOM 0 HG22 ILE A 14 11.184 -29.064 -12.676 1.00 0.00 H new ATOM 0 HG23 ILE A 14 11.330 -30.182 -14.052 1.00 0.00 H new ATOM 0 HD11 ILE A 14 14.103 -31.185 -16.154 1.00 0.00 H new ATOM 0 HD12 ILE A 14 12.466 -30.912 -15.513 1.00 0.00 H new ATOM 0 HD13 ILE A 14 13.357 -29.574 -16.275 1.00 0.00 H new ATOM 239 N GLY A 15 12.479 -26.102 -13.012 1.00 0.00 N ATOM 240 CA GLY A 15 11.662 -25.088 -12.288 1.00 0.00 C ATOM 241 C GLY A 15 10.826 -25.783 -11.212 1.00 0.00 C ATOM 242 O GLY A 15 11.134 -26.879 -10.788 1.00 0.00 O ATOM 0 H GLY A 15 13.475 -26.093 -12.794 1.00 0.00 H new ATOM 0 HA2 GLY A 15 12.311 -24.340 -11.833 1.00 0.00 H new ATOM 0 HA3 GLY A 15 11.011 -24.563 -12.987 1.00 0.00 H new ATOM 246 N TYR A 16 9.770 -25.159 -10.768 1.00 0.00 N ATOM 247 CA TYR A 16 8.918 -25.791 -9.720 1.00 0.00 C ATOM 248 C TYR A 16 7.705 -26.452 -10.379 1.00 0.00 C ATOM 249 O TYR A 16 7.277 -26.061 -11.447 1.00 0.00 O ATOM 250 CB TYR A 16 8.448 -24.722 -8.732 1.00 0.00 C ATOM 251 CG TYR A 16 8.339 -25.328 -7.353 1.00 0.00 C ATOM 252 CD1 TYR A 16 7.294 -26.211 -7.058 1.00 0.00 C ATOM 253 CD2 TYR A 16 9.284 -25.008 -6.370 1.00 0.00 C ATOM 254 CE1 TYR A 16 7.193 -26.774 -5.780 1.00 0.00 C ATOM 255 CE2 TYR A 16 9.184 -25.572 -5.093 1.00 0.00 C ATOM 256 CZ TYR A 16 8.138 -26.455 -4.798 1.00 0.00 C ATOM 257 OH TYR A 16 8.038 -27.010 -3.538 1.00 0.00 O ATOM 0 H TYR A 16 9.460 -24.240 -11.085 1.00 0.00 H new ATOM 0 HA TYR A 16 9.496 -26.546 -9.187 1.00 0.00 H new ATOM 0 HB2 TYR A 16 9.150 -23.888 -8.720 1.00 0.00 H new ATOM 0 HB3 TYR A 16 7.483 -24.322 -9.043 1.00 0.00 H new ATOM 0 HD1 TYR A 16 6.566 -26.458 -7.816 1.00 0.00 H new ATOM 0 HD2 TYR A 16 10.090 -24.326 -6.597 1.00 0.00 H new ATOM 0 HE1 TYR A 16 6.386 -27.454 -5.552 1.00 0.00 H new ATOM 0 HE2 TYR A 16 9.913 -25.326 -4.335 1.00 0.00 H new ATOM 0 HH TYR A 16 8.328 -26.356 -2.868 1.00 0.00 H new ATOM 267 N LEU A 17 7.152 -27.458 -9.755 1.00 0.00 N ATOM 268 CA LEU A 17 5.973 -28.150 -10.351 1.00 0.00 C ATOM 269 C LEU A 17 4.709 -27.800 -9.560 1.00 0.00 C ATOM 270 O LEU A 17 4.630 -28.017 -8.367 1.00 0.00 O ATOM 271 CB LEU A 17 6.198 -29.663 -10.306 1.00 0.00 C ATOM 272 CG LEU A 17 5.046 -30.374 -11.019 1.00 0.00 C ATOM 273 CD1 LEU A 17 5.148 -30.124 -12.526 1.00 0.00 C ATOM 274 CD2 LEU A 17 5.128 -31.877 -10.745 1.00 0.00 C ATOM 0 H LEU A 17 7.466 -27.830 -8.859 1.00 0.00 H new ATOM 0 HA LEU A 17 5.850 -27.826 -11.385 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.145 -29.914 -10.783 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.263 -30.001 -9.272 1.00 0.00 H new ATOM 0 HG LEU A 17 4.096 -29.988 -10.650 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.328 -30.630 -13.035 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.091 -29.053 -12.722 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.098 -30.510 -12.895 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.308 -32.385 -11.252 1.00 0.00 H new ATOM 0 HD22 LEU A 17 6.078 -32.263 -11.115 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.057 -32.056 -9.672 1.00 0.00 H new ATOM 286 N CYS A 18 3.716 -27.268 -10.220 1.00 0.00 N ATOM 287 CA CYS A 18 2.449 -26.908 -9.518 1.00 0.00 C ATOM 288 C CYS A 18 1.260 -27.263 -10.412 1.00 0.00 C ATOM 289 O CYS A 18 1.385 -27.352 -11.617 1.00 0.00 O ATOM 290 CB CYS A 18 2.434 -25.406 -9.223 1.00 0.00 C ATOM 291 SG CYS A 18 3.876 -24.979 -8.217 1.00 0.00 S ATOM 0 H CYS A 18 3.727 -27.066 -11.220 1.00 0.00 H new ATOM 0 HA CYS A 18 2.382 -27.460 -8.581 1.00 0.00 H new ATOM 0 HB2 CYS A 18 2.446 -24.841 -10.155 1.00 0.00 H new ATOM 0 HB3 CYS A 18 1.518 -25.136 -8.698 1.00 0.00 H new ATOM 296 N PRO A 19 0.083 -27.471 -9.805 1.00 0.00 N ATOM 297 CA PRO A 19 -1.136 -27.819 -10.544 1.00 0.00 C ATOM 298 C PRO A 19 -1.673 -26.629 -11.342 1.00 0.00 C ATOM 299 O PRO A 19 -1.251 -25.504 -11.158 1.00 0.00 O ATOM 300 CB PRO A 19 -2.124 -28.205 -9.447 1.00 0.00 C ATOM 301 CG PRO A 19 -1.646 -27.482 -8.232 1.00 0.00 C ATOM 302 CD PRO A 19 -0.149 -27.380 -8.355 1.00 0.00 C ATOM 0 HA PRO A 19 -0.962 -28.611 -11.273 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -3.140 -27.910 -9.708 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -2.136 -29.283 -9.287 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -2.098 -26.492 -8.167 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -1.925 -28.020 -7.326 1.00 0.00 H new ATOM 0 HD2 PRO A 19 0.224 -26.441 -7.947 1.00 0.00 H new ATOM 0 HD3 PRO A 19 0.354 -28.184 -7.817 1.00 0.00 H new ATOM 310 N LYS A 20 -2.599 -26.867 -12.229 1.00 0.00 N ATOM 311 CA LYS A 20 -3.160 -25.750 -13.039 1.00 0.00 C ATOM 312 C LYS A 20 -4.272 -25.054 -12.253 1.00 0.00 C ATOM 313 O LYS A 20 -4.514 -23.873 -12.413 1.00 0.00 O ATOM 314 CB LYS A 20 -3.730 -26.305 -14.347 1.00 0.00 C ATOM 315 CG LYS A 20 -4.015 -25.149 -15.308 1.00 0.00 C ATOM 316 CD LYS A 20 -4.545 -25.706 -16.631 1.00 0.00 C ATOM 317 CE LYS A 20 -4.834 -24.550 -17.590 1.00 0.00 C ATOM 318 NZ LYS A 20 -6.291 -24.513 -17.899 1.00 0.00 N ATOM 0 H LYS A 20 -2.992 -27.787 -12.428 1.00 0.00 H new ATOM 0 HA LYS A 20 -2.371 -25.032 -13.261 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -3.023 -27.002 -14.798 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -4.645 -26.863 -14.150 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -4.745 -24.468 -14.869 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -3.106 -24.573 -15.481 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -3.814 -26.384 -17.071 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -5.452 -26.284 -16.457 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -4.522 -23.606 -17.143 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -4.260 -24.673 -18.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -6.488 -23.727 -18.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -6.575 -25.410 -18.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -6.829 -24.376 -17.020 1.00 0.00 H new ATOM 332 N ASP A 21 -4.950 -25.774 -11.404 1.00 0.00 N ATOM 333 CA ASP A 21 -6.047 -25.153 -10.608 1.00 0.00 C ATOM 334 C ASP A 21 -5.476 -24.022 -9.751 1.00 0.00 C ATOM 335 O ASP A 21 -4.544 -24.211 -8.995 1.00 0.00 O ATOM 336 CB ASP A 21 -6.675 -26.211 -9.700 1.00 0.00 C ATOM 337 CG ASP A 21 -7.026 -27.450 -10.527 1.00 0.00 C ATOM 338 OD1 ASP A 21 -7.072 -27.335 -11.740 1.00 0.00 O ATOM 339 OD2 ASP A 21 -7.244 -28.492 -9.932 1.00 0.00 O ATOM 0 H ASP A 21 -4.793 -26.766 -11.226 1.00 0.00 H new ATOM 0 HA ASP A 21 -6.805 -24.752 -11.281 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -5.983 -26.478 -8.902 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -7.571 -25.812 -9.225 1.00 0.00 H new ATOM 344 N LEU A 22 -6.031 -22.845 -9.858 1.00 0.00 N ATOM 345 CA LEU A 22 -5.519 -21.705 -9.047 1.00 0.00 C ATOM 346 C LEU A 22 -6.235 -21.680 -7.695 1.00 0.00 C ATOM 347 O LEU A 22 -7.423 -21.438 -7.614 1.00 0.00 O ATOM 348 CB LEU A 22 -5.783 -20.392 -9.788 1.00 0.00 C ATOM 349 CG LEU A 22 -5.373 -19.216 -8.900 1.00 0.00 C ATOM 350 CD1 LEU A 22 -3.879 -19.312 -8.589 1.00 0.00 C ATOM 351 CD2 LEU A 22 -5.660 -17.902 -9.628 1.00 0.00 C ATOM 0 H LEU A 22 -6.816 -22.624 -10.471 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.447 -21.824 -8.889 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -5.222 -20.370 -10.722 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -6.839 -20.315 -10.049 1.00 0.00 H new ATOM 0 HG LEU A 22 -5.941 -19.246 -7.970 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.585 -18.475 -7.956 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.675 -20.249 -8.070 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.311 -19.281 -9.519 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -5.368 -17.064 -8.995 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -5.092 -17.870 -10.558 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -6.725 -17.834 -9.851 1.00 0.00 H new ATOM 363 N LYS A 23 -5.521 -21.933 -6.630 1.00 0.00 N ATOM 364 CA LYS A 23 -6.160 -21.926 -5.284 1.00 0.00 C ATOM 365 C LYS A 23 -5.466 -20.892 -4.394 1.00 0.00 C ATOM 366 O LYS A 23 -4.362 -21.099 -3.932 1.00 0.00 O ATOM 367 CB LYS A 23 -6.032 -23.315 -4.656 1.00 0.00 C ATOM 368 CG LYS A 23 -7.315 -24.101 -4.908 1.00 0.00 C ATOM 369 CD LYS A 23 -7.334 -25.347 -4.021 1.00 0.00 C ATOM 370 CE LYS A 23 -8.746 -25.560 -3.471 1.00 0.00 C ATOM 371 NZ LYS A 23 -8.699 -25.593 -1.981 1.00 0.00 N ATOM 0 H LYS A 23 -4.523 -22.144 -6.635 1.00 0.00 H new ATOM 0 HA LYS A 23 -7.214 -21.667 -5.381 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -5.179 -23.843 -5.082 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -5.850 -23.227 -3.585 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -8.183 -23.477 -4.696 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -7.378 -24.388 -5.958 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -7.020 -26.219 -4.594 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -6.626 -25.233 -3.200 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -9.404 -24.758 -3.807 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -9.160 -26.493 -3.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -9.658 -25.738 -1.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -8.085 -26.373 -1.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -8.321 -24.692 -1.626 1.00 0.00 H new ATOM 385 N PRO A 24 -6.134 -19.752 -4.157 1.00 0.00 N ATOM 386 CA PRO A 24 -5.594 -18.662 -3.330 1.00 0.00 C ATOM 387 C PRO A 24 -5.407 -19.081 -1.872 1.00 0.00 C ATOM 388 O PRO A 24 -6.348 -19.431 -1.190 1.00 0.00 O ATOM 389 CB PRO A 24 -6.664 -17.573 -3.435 1.00 0.00 C ATOM 390 CG PRO A 24 -7.912 -18.315 -3.767 1.00 0.00 C ATOM 391 CD PRO A 24 -7.481 -19.437 -4.666 1.00 0.00 C ATOM 0 HA PRO A 24 -4.607 -18.345 -3.668 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -6.765 -17.023 -2.499 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -6.416 -16.845 -4.208 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -8.394 -18.696 -2.867 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -8.634 -17.667 -4.265 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -8.152 -20.293 -4.597 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -7.459 -19.133 -5.713 1.00 0.00 H new ATOM 399 N VAL A 25 -4.194 -19.047 -1.389 1.00 0.00 N ATOM 400 CA VAL A 25 -3.946 -19.443 0.025 1.00 0.00 C ATOM 401 C VAL A 25 -3.435 -18.242 0.819 1.00 0.00 C ATOM 402 O VAL A 25 -2.858 -17.322 0.274 1.00 0.00 O ATOM 403 CB VAL A 25 -2.881 -20.538 0.076 1.00 0.00 C ATOM 404 CG1 VAL A 25 -3.280 -21.696 -0.837 1.00 0.00 C ATOM 405 CG2 VAL A 25 -1.543 -19.958 -0.386 1.00 0.00 C ATOM 0 H VAL A 25 -3.366 -18.762 -1.912 1.00 0.00 H new ATOM 0 HA VAL A 25 -4.880 -19.806 0.453 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.790 -20.908 1.097 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -2.516 -22.472 -0.795 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -4.234 -22.108 -0.507 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.375 -21.336 -1.861 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.779 -20.734 -0.352 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.640 -19.589 -1.407 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -1.256 -19.137 0.271 1.00 0.00 H new ATOM 415 N CYS A 26 -3.620 -18.259 2.109 1.00 0.00 N ATOM 416 CA CYS A 26 -3.124 -17.139 2.951 1.00 0.00 C ATOM 417 C CYS A 26 -1.794 -17.563 3.577 1.00 0.00 C ATOM 418 O CYS A 26 -1.606 -18.707 3.934 1.00 0.00 O ATOM 419 CB CYS A 26 -4.140 -16.830 4.056 1.00 0.00 C ATOM 420 SG CYS A 26 -3.570 -15.410 5.021 1.00 0.00 S ATOM 0 H CYS A 26 -4.096 -19.004 2.617 1.00 0.00 H new ATOM 0 HA CYS A 26 -2.987 -16.245 2.343 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -5.116 -16.618 3.619 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -4.263 -17.698 4.704 1.00 0.00 H new ATOM 425 N GLY A 27 -0.864 -16.659 3.703 1.00 0.00 N ATOM 426 CA GLY A 27 0.454 -17.023 4.297 1.00 0.00 C ATOM 427 C GLY A 27 0.458 -16.682 5.787 1.00 0.00 C ATOM 428 O GLY A 27 -0.110 -15.694 6.210 1.00 0.00 O ATOM 0 H GLY A 27 -0.958 -15.683 3.421 1.00 0.00 H new ATOM 0 HA2 GLY A 27 0.646 -18.087 4.157 1.00 0.00 H new ATOM 0 HA3 GLY A 27 1.254 -16.485 3.789 1.00 0.00 H new ATOM 432 N ASP A 28 1.097 -17.491 6.587 1.00 0.00 N ATOM 433 CA ASP A 28 1.139 -17.209 8.051 1.00 0.00 C ATOM 434 C ASP A 28 2.053 -16.010 8.312 1.00 0.00 C ATOM 435 O ASP A 28 2.042 -15.430 9.378 1.00 0.00 O ATOM 436 CB ASP A 28 1.672 -18.434 8.795 1.00 0.00 C ATOM 437 CG ASP A 28 1.562 -18.203 10.304 1.00 0.00 C ATOM 438 OD1 ASP A 28 0.922 -17.241 10.691 1.00 0.00 O ATOM 439 OD2 ASP A 28 2.119 -18.995 11.045 1.00 0.00 O ATOM 0 H ASP A 28 1.591 -18.333 6.292 1.00 0.00 H new ATOM 0 HA ASP A 28 0.134 -16.983 8.406 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.106 -19.321 8.510 1.00 0.00 H new ATOM 0 HB3 ASP A 28 2.711 -18.617 8.519 1.00 0.00 H new ATOM 444 N ASP A 29 2.839 -15.631 7.341 1.00 0.00 N ATOM 445 CA ASP A 29 3.747 -14.466 7.530 1.00 0.00 C ATOM 446 C ASP A 29 2.976 -13.172 7.255 1.00 0.00 C ATOM 447 O ASP A 29 3.485 -12.084 7.436 1.00 0.00 O ATOM 448 CB ASP A 29 4.923 -14.570 6.557 1.00 0.00 C ATOM 449 CG ASP A 29 5.859 -15.693 7.006 1.00 0.00 C ATOM 450 OD1 ASP A 29 5.659 -16.204 8.096 1.00 0.00 O ATOM 451 OD2 ASP A 29 6.761 -16.023 6.253 1.00 0.00 O ATOM 0 H ASP A 29 2.891 -16.078 6.426 1.00 0.00 H new ATOM 0 HA ASP A 29 4.121 -14.460 8.554 1.00 0.00 H new ATOM 0 HB2 ASP A 29 4.558 -14.767 5.549 1.00 0.00 H new ATOM 0 HB3 ASP A 29 5.464 -13.624 6.521 1.00 0.00 H new ATOM 456 N GLY A 30 1.751 -13.281 6.814 1.00 0.00 N ATOM 457 CA GLY A 30 0.952 -12.058 6.526 1.00 0.00 C ATOM 458 C GLY A 30 0.938 -11.805 5.016 1.00 0.00 C ATOM 459 O GLY A 30 0.709 -10.700 4.565 1.00 0.00 O ATOM 0 H GLY A 30 1.271 -14.164 6.641 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -0.066 -12.180 6.895 1.00 0.00 H new ATOM 0 HA3 GLY A 30 1.379 -11.200 7.046 1.00 0.00 H new ATOM 463 N GLN A 31 1.181 -12.820 4.232 1.00 0.00 N ATOM 464 CA GLN A 31 1.182 -12.638 2.752 1.00 0.00 C ATOM 465 C GLN A 31 0.142 -13.568 2.123 1.00 0.00 C ATOM 466 O GLN A 31 -0.420 -14.420 2.779 1.00 0.00 O ATOM 467 CB GLN A 31 2.569 -12.973 2.199 1.00 0.00 C ATOM 468 CG GLN A 31 3.543 -11.848 2.554 1.00 0.00 C ATOM 469 CD GLN A 31 4.965 -12.265 2.177 1.00 0.00 C ATOM 470 OE1 GLN A 31 5.182 -13.358 1.690 1.00 0.00 O ATOM 471 NE2 GLN A 31 5.951 -11.436 2.382 1.00 0.00 N ATOM 0 H GLN A 31 1.379 -13.768 4.552 1.00 0.00 H new ATOM 0 HA GLN A 31 0.935 -11.604 2.512 1.00 0.00 H new ATOM 0 HB2 GLN A 31 2.920 -13.917 2.615 1.00 0.00 H new ATOM 0 HB3 GLN A 31 2.521 -13.099 1.117 1.00 0.00 H new ATOM 0 HG2 GLN A 31 3.268 -10.935 2.026 1.00 0.00 H new ATOM 0 HG3 GLN A 31 3.488 -11.628 3.620 1.00 0.00 H new ATOM 0 HE21 GLN A 31 5.770 -10.519 2.790 1.00 0.00 H new ATOM 0 HE22 GLN A 31 6.903 -11.705 2.134 1.00 0.00 H new ATOM 480 N THR A 32 -0.117 -13.409 0.854 1.00 0.00 N ATOM 481 CA THR A 32 -1.120 -14.281 0.179 1.00 0.00 C ATOM 482 C THR A 32 -0.550 -14.782 -1.146 1.00 0.00 C ATOM 483 O THR A 32 0.044 -14.036 -1.899 1.00 0.00 O ATOM 484 CB THR A 32 -2.393 -13.479 -0.099 1.00 0.00 C ATOM 485 OG1 THR A 32 -2.915 -12.979 1.122 1.00 0.00 O ATOM 486 CG2 THR A 32 -3.427 -14.385 -0.768 1.00 0.00 C ATOM 0 H THR A 32 0.324 -12.711 0.254 1.00 0.00 H new ATOM 0 HA THR A 32 -1.352 -15.127 0.825 1.00 0.00 H new ATOM 0 HB THR A 32 -2.161 -12.644 -0.760 1.00 0.00 H new ATOM 0 HG1 THR A 32 -2.574 -13.516 1.868 1.00 0.00 H new ATOM 0 HG21 THR A 32 -4.335 -13.816 -0.967 1.00 0.00 H new ATOM 0 HG22 THR A 32 -3.024 -14.766 -1.707 1.00 0.00 H new ATOM 0 HG23 THR A 32 -3.660 -15.221 -0.108 1.00 0.00 H new ATOM 494 N TYR A 33 -0.735 -16.035 -1.442 1.00 0.00 N ATOM 495 CA TYR A 33 -0.216 -16.581 -2.723 1.00 0.00 C ATOM 496 C TYR A 33 -1.398 -17.006 -3.590 1.00 0.00 C ATOM 497 O TYR A 33 -2.412 -17.455 -3.093 1.00 0.00 O ATOM 498 CB TYR A 33 0.680 -17.787 -2.439 1.00 0.00 C ATOM 499 CG TYR A 33 1.708 -17.411 -1.396 1.00 0.00 C ATOM 500 CD1 TYR A 33 1.358 -17.399 -0.041 1.00 0.00 C ATOM 501 CD2 TYR A 33 3.009 -17.073 -1.786 1.00 0.00 C ATOM 502 CE1 TYR A 33 2.309 -17.049 0.926 1.00 0.00 C ATOM 503 CE2 TYR A 33 3.961 -16.723 -0.820 1.00 0.00 C ATOM 504 CZ TYR A 33 3.611 -16.712 0.535 1.00 0.00 C ATOM 505 OH TYR A 33 4.548 -16.366 1.487 1.00 0.00 O ATOM 0 H TYR A 33 -1.225 -16.707 -0.851 1.00 0.00 H new ATOM 0 HA TYR A 33 0.367 -15.822 -3.244 1.00 0.00 H new ATOM 0 HB2 TYR A 33 0.079 -18.626 -2.088 1.00 0.00 H new ATOM 0 HB3 TYR A 33 1.175 -18.110 -3.355 1.00 0.00 H new ATOM 0 HD1 TYR A 33 0.354 -17.660 0.259 1.00 0.00 H new ATOM 0 HD2 TYR A 33 3.279 -17.082 -2.832 1.00 0.00 H new ATOM 0 HE1 TYR A 33 2.039 -17.039 1.972 1.00 0.00 H new ATOM 0 HE2 TYR A 33 4.965 -16.462 -1.121 1.00 0.00 H new ATOM 0 HH TYR A 33 4.682 -15.395 1.476 1.00 0.00 H new ATOM 515 N ASN A 34 -1.286 -16.871 -4.882 1.00 0.00 N ATOM 516 CA ASN A 34 -2.422 -17.275 -5.756 1.00 0.00 C ATOM 517 C ASN A 34 -2.572 -18.790 -5.690 1.00 0.00 C ATOM 518 O ASN A 34 -3.460 -19.310 -5.051 1.00 0.00 O ATOM 519 CB ASN A 34 -2.172 -16.851 -7.213 1.00 0.00 C ATOM 520 CG ASN A 34 -1.212 -15.663 -7.259 1.00 0.00 C ATOM 521 OD1 ASN A 34 -1.262 -14.767 -6.316 1.00 0.00 O flip ATOM 522 ND2 ASN A 34 -0.408 -15.550 -8.162 1.00 0.00 N flip ATOM 0 H ASN A 34 -0.467 -16.503 -5.366 1.00 0.00 H new ATOM 0 HA ASN A 34 -3.330 -16.784 -5.408 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -1.756 -17.686 -7.776 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -3.116 -16.584 -7.689 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -0.369 -16.252 -8.901 1.00 0.00 H new ATOM 0 HD22 ASN A 34 0.228 -14.753 -8.182 1.00 0.00 H new ATOM 529 N ASN A 35 -1.705 -19.499 -6.345 1.00 0.00 N ATOM 530 CA ASN A 35 -1.781 -20.987 -6.322 1.00 0.00 C ATOM 531 C ASN A 35 -1.102 -21.512 -5.052 1.00 0.00 C ATOM 532 O ASN A 35 -0.142 -20.943 -4.575 1.00 0.00 O ATOM 533 CB ASN A 35 -1.073 -21.534 -7.566 1.00 0.00 C ATOM 534 CG ASN A 35 -0.949 -23.054 -7.478 1.00 0.00 C ATOM 535 OD1 ASN A 35 -0.314 -23.574 -6.583 1.00 0.00 O ATOM 536 ND2 ASN A 35 -1.531 -23.796 -8.381 1.00 0.00 N ATOM 0 H ASN A 35 -0.941 -19.114 -6.900 1.00 0.00 H new ATOM 0 HA ASN A 35 -2.821 -21.312 -6.323 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -1.631 -21.259 -8.461 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -0.084 -21.086 -7.657 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -1.452 -24.812 -8.334 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -2.065 -23.360 -9.133 1.00 0.00 H new ATOM 543 N PRO A 36 -1.612 -22.625 -4.499 1.00 0.00 N ATOM 544 CA PRO A 36 -1.053 -23.236 -3.286 1.00 0.00 C ATOM 545 C PRO A 36 0.379 -23.729 -3.512 1.00 0.00 C ATOM 546 O PRO A 36 1.278 -23.401 -2.764 1.00 0.00 O ATOM 547 CB PRO A 36 -1.994 -24.410 -3.010 1.00 0.00 C ATOM 548 CG PRO A 36 -2.596 -24.714 -4.338 1.00 0.00 C ATOM 549 CD PRO A 36 -2.767 -23.381 -5.006 1.00 0.00 C ATOM 0 HA PRO A 36 -0.990 -22.532 -2.457 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -1.454 -25.269 -2.611 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -2.757 -24.146 -2.278 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -1.949 -25.368 -4.923 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -3.552 -25.226 -4.229 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -2.752 -23.466 -6.093 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -3.712 -22.909 -4.736 1.00 0.00 H new ATOM 557 N CYS A 37 0.606 -24.495 -4.544 1.00 0.00 N ATOM 558 CA CYS A 37 1.989 -24.972 -4.809 1.00 0.00 C ATOM 559 C CYS A 37 2.869 -23.749 -5.069 1.00 0.00 C ATOM 560 O CYS A 37 4.054 -23.752 -4.804 1.00 0.00 O ATOM 561 CB CYS A 37 1.994 -25.890 -6.034 1.00 0.00 C ATOM 562 SG CYS A 37 3.699 -26.156 -6.585 1.00 0.00 S ATOM 0 H CYS A 37 -0.101 -24.808 -5.209 1.00 0.00 H new ATOM 0 HA CYS A 37 2.368 -25.534 -3.955 1.00 0.00 H new ATOM 0 HB2 CYS A 37 1.527 -26.844 -5.788 1.00 0.00 H new ATOM 0 HB3 CYS A 37 1.407 -25.445 -6.837 1.00 0.00 H new ATOM 567 N MET A 38 2.287 -22.695 -5.579 1.00 0.00 N ATOM 568 CA MET A 38 3.074 -21.462 -5.847 1.00 0.00 C ATOM 569 C MET A 38 3.578 -20.906 -4.515 1.00 0.00 C ATOM 570 O MET A 38 4.488 -20.103 -4.467 1.00 0.00 O ATOM 571 CB MET A 38 2.182 -20.424 -6.532 1.00 0.00 C ATOM 572 CG MET A 38 2.398 -20.488 -8.045 1.00 0.00 C ATOM 573 SD MET A 38 1.402 -19.210 -8.852 1.00 0.00 S ATOM 574 CE MET A 38 1.148 -20.078 -10.418 1.00 0.00 C ATOM 0 H MET A 38 1.298 -22.638 -5.821 1.00 0.00 H new ATOM 0 HA MET A 38 3.918 -21.691 -6.498 1.00 0.00 H new ATOM 0 HB2 MET A 38 1.135 -20.614 -6.295 1.00 0.00 H new ATOM 0 HB3 MET A 38 2.416 -19.426 -6.162 1.00 0.00 H new ATOM 0 HG2 MET A 38 3.453 -20.344 -8.279 1.00 0.00 H new ATOM 0 HG3 MET A 38 2.120 -21.472 -8.421 1.00 0.00 H new ATOM 0 HE1 MET A 38 0.545 -19.460 -11.083 1.00 0.00 H new ATOM 0 HE2 MET A 38 2.113 -20.278 -10.884 1.00 0.00 H new ATOM 0 HE3 MET A 38 0.633 -21.020 -10.232 1.00 0.00 H new ATOM 584 N LEU A 39 2.994 -21.342 -3.431 1.00 0.00 N ATOM 585 CA LEU A 39 3.436 -20.857 -2.097 1.00 0.00 C ATOM 586 C LEU A 39 4.858 -21.349 -1.849 1.00 0.00 C ATOM 587 O LEU A 39 5.755 -20.576 -1.575 1.00 0.00 O ATOM 588 CB LEU A 39 2.497 -21.413 -1.024 1.00 0.00 C ATOM 589 CG LEU A 39 3.095 -21.163 0.360 1.00 0.00 C ATOM 590 CD1 LEU A 39 3.286 -19.659 0.568 1.00 0.00 C ATOM 591 CD2 LEU A 39 2.151 -21.709 1.433 1.00 0.00 C ATOM 0 H LEU A 39 2.228 -22.015 -3.415 1.00 0.00 H new ATOM 0 HA LEU A 39 3.413 -19.768 -2.061 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.519 -20.937 -1.100 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.345 -22.481 -1.178 1.00 0.00 H new ATOM 0 HG LEU A 39 4.058 -21.667 0.435 1.00 0.00 H new ATOM 0 HD11 LEU A 39 3.712 -19.479 1.555 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.960 -19.269 -0.195 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.322 -19.156 0.492 1.00 0.00 H new ATOM 0 HD21 LEU A 39 2.579 -21.530 2.419 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.187 -21.206 1.359 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.014 -22.780 1.286 1.00 0.00 H new ATOM 603 N CYS A 40 5.076 -22.628 -1.970 1.00 0.00 N ATOM 604 CA CYS A 40 6.449 -23.162 -1.768 1.00 0.00 C ATOM 605 C CYS A 40 7.368 -22.518 -2.803 1.00 0.00 C ATOM 606 O CYS A 40 8.565 -22.419 -2.616 1.00 0.00 O ATOM 607 CB CYS A 40 6.439 -24.677 -1.954 1.00 0.00 C ATOM 608 SG CYS A 40 7.976 -25.360 -1.303 1.00 0.00 S ATOM 0 H CYS A 40 4.366 -23.323 -2.199 1.00 0.00 H new ATOM 0 HA CYS A 40 6.802 -22.935 -0.762 1.00 0.00 H new ATOM 0 HB2 CYS A 40 5.584 -25.114 -1.437 1.00 0.00 H new ATOM 0 HB3 CYS A 40 6.334 -24.926 -3.010 1.00 0.00 H new ATOM 613 N HIS A 41 6.807 -22.062 -3.891 1.00 0.00 N ATOM 614 CA HIS A 41 7.631 -21.403 -4.939 1.00 0.00 C ATOM 615 C HIS A 41 8.167 -20.089 -4.379 1.00 0.00 C ATOM 616 O HIS A 41 9.361 -19.879 -4.293 1.00 0.00 O ATOM 617 CB HIS A 41 6.762 -21.119 -6.165 1.00 0.00 C ATOM 618 CG HIS A 41 7.638 -20.952 -7.378 1.00 0.00 C ATOM 619 ND1 HIS A 41 8.581 -21.899 -7.745 1.00 0.00 N ATOM 620 CD2 HIS A 41 7.726 -19.952 -8.314 1.00 0.00 C ATOM 621 CE1 HIS A 41 9.190 -21.454 -8.860 1.00 0.00 C ATOM 622 NE2 HIS A 41 8.706 -20.271 -9.249 1.00 0.00 N ATOM 0 H HIS A 41 5.810 -22.119 -4.097 1.00 0.00 H new ATOM 0 HA HIS A 41 8.458 -22.051 -5.229 1.00 0.00 H new ATOM 0 HB2 HIS A 41 6.059 -21.937 -6.322 1.00 0.00 H new ATOM 0 HB3 HIS A 41 6.171 -20.217 -6.004 1.00 0.00 H new ATOM 0 HD2 HIS A 41 7.126 -19.054 -8.323 1.00 0.00 H new ATOM 0 HE1 HIS A 41 9.974 -21.988 -9.377 1.00 0.00 H new ATOM 0 HE2 HIS A 41 8.993 -19.720 -10.058 1.00 0.00 H new ATOM 630 N GLU A 42 7.292 -19.206 -3.978 1.00 0.00 N ATOM 631 CA GLU A 42 7.760 -17.918 -3.403 1.00 0.00 C ATOM 632 C GLU A 42 8.629 -18.229 -2.188 1.00 0.00 C ATOM 633 O GLU A 42 9.453 -17.439 -1.774 1.00 0.00 O ATOM 634 CB GLU A 42 6.555 -17.079 -2.970 1.00 0.00 C ATOM 635 CG GLU A 42 5.743 -16.681 -4.203 1.00 0.00 C ATOM 636 CD GLU A 42 4.811 -15.523 -3.846 1.00 0.00 C ATOM 637 OE1 GLU A 42 4.997 -14.942 -2.790 1.00 0.00 O ATOM 638 OE2 GLU A 42 3.924 -15.237 -4.635 1.00 0.00 O ATOM 0 H GLU A 42 6.280 -19.322 -4.024 1.00 0.00 H new ATOM 0 HA GLU A 42 8.330 -17.358 -4.144 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.932 -17.647 -2.279 1.00 0.00 H new ATOM 0 HB3 GLU A 42 6.890 -16.188 -2.439 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.411 -16.388 -5.013 1.00 0.00 H new ATOM 0 HG3 GLU A 42 5.163 -17.532 -4.560 1.00 0.00 H new ATOM 645 N ASN A 43 8.452 -19.392 -1.622 1.00 0.00 N ATOM 646 CA ASN A 43 9.266 -19.779 -0.438 1.00 0.00 C ATOM 647 C ASN A 43 10.634 -20.264 -0.917 1.00 0.00 C ATOM 648 O ASN A 43 11.630 -20.112 -0.240 1.00 0.00 O ATOM 649 CB ASN A 43 8.559 -20.903 0.323 1.00 0.00 C ATOM 650 CG ASN A 43 7.203 -20.403 0.826 1.00 0.00 C ATOM 651 OD1 ASN A 43 6.980 -19.213 0.926 1.00 0.00 O ATOM 652 ND2 ASN A 43 6.282 -21.269 1.152 1.00 0.00 N ATOM 0 H ASN A 43 7.777 -20.091 -1.930 1.00 0.00 H new ATOM 0 HA ASN A 43 9.389 -18.922 0.224 1.00 0.00 H new ATOM 0 HB2 ASN A 43 8.422 -21.767 -0.327 1.00 0.00 H new ATOM 0 HB3 ASN A 43 9.172 -21.230 1.163 1.00 0.00 H new ATOM 0 HD21 ASN A 43 5.376 -20.946 1.491 1.00 0.00 H new ATOM 0 HD22 ASN A 43 6.469 -22.268 1.068 1.00 0.00 H new ATOM 659 N LEU A 44 10.692 -20.843 -2.087 1.00 0.00 N ATOM 660 CA LEU A 44 11.998 -21.327 -2.613 1.00 0.00 C ATOM 661 C LEU A 44 12.934 -20.129 -2.784 1.00 0.00 C ATOM 662 O LEU A 44 14.126 -20.221 -2.566 1.00 0.00 O ATOM 663 CB LEU A 44 11.783 -22.012 -3.966 1.00 0.00 C ATOM 664 CG LEU A 44 13.123 -22.535 -4.494 1.00 0.00 C ATOM 665 CD1 LEU A 44 13.614 -23.676 -3.600 1.00 0.00 C ATOM 666 CD2 LEU A 44 12.943 -23.050 -5.925 1.00 0.00 C ATOM 0 H LEU A 44 9.892 -21.001 -2.699 1.00 0.00 H new ATOM 0 HA LEU A 44 12.437 -22.043 -1.918 1.00 0.00 H new ATOM 0 HB2 LEU A 44 11.076 -22.835 -3.861 1.00 0.00 H new ATOM 0 HB3 LEU A 44 11.350 -21.308 -4.677 1.00 0.00 H new ATOM 0 HG LEU A 44 13.855 -21.727 -4.488 1.00 0.00 H new ATOM 0 HD11 LEU A 44 14.567 -24.048 -3.976 1.00 0.00 H new ATOM 0 HD12 LEU A 44 13.743 -23.310 -2.581 1.00 0.00 H new ATOM 0 HD13 LEU A 44 12.882 -24.483 -3.605 1.00 0.00 H new ATOM 0 HD21 LEU A 44 13.896 -23.422 -6.300 1.00 0.00 H new ATOM 0 HD22 LEU A 44 12.210 -23.857 -5.932 1.00 0.00 H new ATOM 0 HD23 LEU A 44 12.594 -22.238 -6.563 1.00 0.00 H new ATOM 678 N ILE A 45 12.397 -19.001 -3.166 1.00 0.00 N ATOM 679 CA ILE A 45 13.245 -17.790 -3.344 1.00 0.00 C ATOM 680 C ILE A 45 13.503 -17.150 -1.979 1.00 0.00 C ATOM 681 O ILE A 45 14.628 -16.860 -1.620 1.00 0.00 O ATOM 682 CB ILE A 45 12.524 -16.789 -4.250 1.00 0.00 C ATOM 683 CG1 ILE A 45 11.753 -17.544 -5.335 1.00 0.00 C ATOM 684 CG2 ILE A 45 13.552 -15.863 -4.903 1.00 0.00 C ATOM 685 CD1 ILE A 45 11.269 -16.559 -6.401 1.00 0.00 C ATOM 0 H ILE A 45 11.405 -18.867 -3.363 1.00 0.00 H new ATOM 0 HA ILE A 45 14.194 -18.072 -3.801 1.00 0.00 H new ATOM 0 HB ILE A 45 11.827 -16.198 -3.657 1.00 0.00 H new ATOM 0 HG12 ILE A 45 12.392 -18.302 -5.789 1.00 0.00 H new ATOM 0 HG13 ILE A 45 10.903 -18.066 -4.895 1.00 0.00 H new ATOM 0 HG21 ILE A 45 13.040 -15.149 -5.549 1.00 0.00 H new ATOM 0 HG22 ILE A 45 14.100 -15.325 -4.130 1.00 0.00 H new ATOM 0 HG23 ILE A 45 14.249 -16.454 -5.497 1.00 0.00 H new ATOM 0 HD11 ILE A 45 10.720 -17.099 -7.173 1.00 0.00 H new ATOM 0 HD12 ILE A 45 10.615 -15.818 -5.942 1.00 0.00 H new ATOM 0 HD13 ILE A 45 12.127 -16.058 -6.849 1.00 0.00 H new ATOM 697 N ARG A 46 12.469 -16.928 -1.213 1.00 0.00 N ATOM 698 CA ARG A 46 12.649 -16.307 0.130 1.00 0.00 C ATOM 699 C ARG A 46 13.365 -17.291 1.056 1.00 0.00 C ATOM 700 O ARG A 46 14.219 -16.918 1.834 1.00 0.00 O ATOM 701 CB ARG A 46 11.279 -15.963 0.719 1.00 0.00 C ATOM 702 CG ARG A 46 10.599 -14.902 -0.149 1.00 0.00 C ATOM 703 CD ARG A 46 9.260 -14.512 0.482 1.00 0.00 C ATOM 704 NE ARG A 46 8.513 -13.619 -0.448 1.00 0.00 N ATOM 705 CZ ARG A 46 7.227 -13.454 -0.301 1.00 0.00 C ATOM 706 NH1 ARG A 46 6.439 -14.493 -0.235 1.00 0.00 N ATOM 707 NH2 ARG A 46 6.728 -12.252 -0.221 1.00 0.00 N ATOM 0 H ARG A 46 11.505 -17.151 -1.461 1.00 0.00 H new ATOM 0 HA ARG A 46 13.244 -15.399 0.033 1.00 0.00 H new ATOM 0 HB2 ARG A 46 10.659 -16.858 0.770 1.00 0.00 H new ATOM 0 HB3 ARG A 46 11.392 -15.595 1.739 1.00 0.00 H new ATOM 0 HG2 ARG A 46 11.240 -14.025 -0.240 1.00 0.00 H new ATOM 0 HG3 ARG A 46 10.441 -15.287 -1.156 1.00 0.00 H new ATOM 0 HD2 ARG A 46 8.673 -15.405 0.696 1.00 0.00 H new ATOM 0 HD3 ARG A 46 9.428 -14.006 1.433 1.00 0.00 H new ATOM 0 HE ARG A 46 9.007 -13.137 -1.199 1.00 0.00 H new ATOM 0 HH11 ARG A 46 6.829 -15.433 -0.298 1.00 0.00 H new ATOM 0 HH12 ARG A 46 5.434 -14.364 -0.120 1.00 0.00 H new ATOM 0 HH21 ARG A 46 7.343 -11.440 -0.273 1.00 0.00 H new ATOM 0 HH22 ARG A 46 5.723 -12.124 -0.106 1.00 0.00 H new ATOM 721 N GLN A 47 13.015 -18.544 0.977 1.00 0.00 N ATOM 722 CA GLN A 47 13.664 -19.565 1.847 1.00 0.00 C ATOM 723 C GLN A 47 13.319 -19.284 3.311 1.00 0.00 C ATOM 724 O GLN A 47 14.143 -19.424 4.192 1.00 0.00 O ATOM 725 CB GLN A 47 15.182 -19.518 1.659 1.00 0.00 C ATOM 726 CG GLN A 47 15.527 -19.857 0.207 1.00 0.00 C ATOM 727 CD GLN A 47 17.044 -19.793 0.015 1.00 0.00 C ATOM 728 OE1 GLN A 47 17.748 -19.233 0.831 1.00 0.00 O ATOM 729 NE2 GLN A 47 17.579 -20.347 -1.039 1.00 0.00 N ATOM 0 H GLN A 47 12.303 -18.907 0.343 1.00 0.00 H new ATOM 0 HA GLN A 47 13.300 -20.555 1.572 1.00 0.00 H new ATOM 0 HB2 GLN A 47 15.560 -18.527 1.912 1.00 0.00 H new ATOM 0 HB3 GLN A 47 15.665 -20.225 2.333 1.00 0.00 H new ATOM 0 HG2 GLN A 47 15.160 -20.853 -0.042 1.00 0.00 H new ATOM 0 HG3 GLN A 47 15.034 -19.157 -0.468 1.00 0.00 H new ATOM 0 HE21 GLN A 47 16.987 -20.817 -1.724 1.00 0.00 H new ATOM 0 HE22 GLN A 47 18.589 -20.310 -1.178 1.00 0.00 H new ATOM 738 N THR A 48 12.101 -18.895 3.578 1.00 0.00 N ATOM 739 CA THR A 48 11.700 -18.609 4.985 1.00 0.00 C ATOM 740 C THR A 48 10.765 -19.715 5.482 1.00 0.00 C ATOM 741 O THR A 48 10.207 -19.631 6.558 1.00 0.00 O ATOM 742 CB THR A 48 10.973 -17.263 5.046 1.00 0.00 C ATOM 743 OG1 THR A 48 9.727 -17.369 4.374 1.00 0.00 O ATOM 744 CG2 THR A 48 11.829 -16.188 4.375 1.00 0.00 C ATOM 0 H THR A 48 11.367 -18.763 2.882 1.00 0.00 H new ATOM 0 HA THR A 48 12.588 -18.571 5.615 1.00 0.00 H new ATOM 0 HB THR A 48 10.801 -16.989 6.087 1.00 0.00 H new ATOM 0 HG1 THR A 48 9.053 -17.727 4.989 1.00 0.00 H new ATOM 0 HG21 THR A 48 11.311 -15.230 4.419 1.00 0.00 H new ATOM 0 HG22 THR A 48 12.784 -16.108 4.893 1.00 0.00 H new ATOM 0 HG23 THR A 48 12.003 -16.459 3.334 1.00 0.00 H new ATOM 752 N ASN A 49 10.587 -20.750 4.707 1.00 0.00 N ATOM 753 CA ASN A 49 9.687 -21.859 5.135 1.00 0.00 C ATOM 754 C ASN A 49 8.322 -21.288 5.526 1.00 0.00 C ATOM 755 O ASN A 49 7.851 -21.484 6.628 1.00 0.00 O ATOM 756 CB ASN A 49 10.301 -22.579 6.337 1.00 0.00 C ATOM 757 CG ASN A 49 9.674 -23.969 6.474 1.00 0.00 C ATOM 758 OD1 ASN A 49 9.104 -24.486 5.534 1.00 0.00 O ATOM 759 ND2 ASN A 49 9.757 -24.600 7.614 1.00 0.00 N ATOM 0 H ASN A 49 11.026 -20.876 3.795 1.00 0.00 H new ATOM 0 HA ASN A 49 9.564 -22.564 4.313 1.00 0.00 H new ATOM 0 HB2 ASN A 49 11.380 -22.666 6.210 1.00 0.00 H new ATOM 0 HB3 ASN A 49 10.132 -22.001 7.246 1.00 0.00 H new ATOM 0 HD21 ASN A 49 9.343 -25.527 7.715 1.00 0.00 H new ATOM 0 HD22 ASN A 49 10.236 -24.166 8.403 1.00 0.00 H new ATOM 766 N THR A 50 7.685 -20.584 4.632 1.00 0.00 N ATOM 767 CA THR A 50 6.352 -20.003 4.955 1.00 0.00 C ATOM 768 C THR A 50 5.282 -21.089 4.850 1.00 0.00 C ATOM 769 O THR A 50 5.308 -21.917 3.961 1.00 0.00 O ATOM 770 CB THR A 50 6.026 -18.882 3.966 1.00 0.00 C ATOM 771 OG1 THR A 50 7.058 -17.904 4.006 1.00 0.00 O ATOM 772 CG2 THR A 50 4.691 -18.234 4.345 1.00 0.00 C ATOM 0 H THR A 50 8.029 -20.386 3.693 1.00 0.00 H new ATOM 0 HA THR A 50 6.372 -19.603 5.969 1.00 0.00 H new ATOM 0 HB THR A 50 5.953 -19.295 2.960 1.00 0.00 H new ATOM 0 HG1 THR A 50 6.912 -17.305 4.768 1.00 0.00 H new ATOM 0 HG21 THR A 50 4.461 -17.436 3.639 1.00 0.00 H new ATOM 0 HG22 THR A 50 3.901 -18.984 4.315 1.00 0.00 H new ATOM 0 HG23 THR A 50 4.760 -17.820 5.351 1.00 0.00 H new ATOM 780 N HIS A 51 4.336 -21.088 5.746 1.00 0.00 N ATOM 781 CA HIS A 51 3.260 -22.113 5.691 1.00 0.00 C ATOM 782 C HIS A 51 1.939 -21.429 5.342 1.00 0.00 C ATOM 783 O HIS A 51 1.835 -20.218 5.351 1.00 0.00 O ATOM 784 CB HIS A 51 3.136 -22.801 7.052 1.00 0.00 C ATOM 785 CG HIS A 51 4.474 -23.353 7.461 1.00 0.00 C ATOM 786 ND1 HIS A 51 5.460 -22.559 8.024 1.00 0.00 N ATOM 787 CD2 HIS A 51 5.002 -24.618 7.397 1.00 0.00 C ATOM 788 CE1 HIS A 51 6.521 -23.347 8.274 1.00 0.00 C ATOM 789 NE2 HIS A 51 6.296 -24.612 7.911 1.00 0.00 N ATOM 0 H HIS A 51 4.262 -20.421 6.514 1.00 0.00 H new ATOM 0 HA HIS A 51 3.501 -22.859 4.933 1.00 0.00 H new ATOM 0 HB2 HIS A 51 2.780 -22.091 7.799 1.00 0.00 H new ATOM 0 HB3 HIS A 51 2.401 -23.604 7.000 1.00 0.00 H new ATOM 0 HD2 HIS A 51 4.491 -25.486 7.007 1.00 0.00 H new ATOM 0 HE1 HIS A 51 7.443 -22.999 8.715 1.00 0.00 H new ATOM 0 HE2 HIS A 51 6.934 -25.403 7.993 1.00 0.00 H new ATOM 797 N ILE A 52 0.928 -22.191 5.037 1.00 0.00 N ATOM 798 CA ILE A 52 -0.382 -21.576 4.690 1.00 0.00 C ATOM 799 C ILE A 52 -1.103 -21.169 5.974 1.00 0.00 C ATOM 800 O ILE A 52 -1.279 -21.959 6.880 1.00 0.00 O ATOM 801 CB ILE A 52 -1.235 -22.589 3.929 1.00 0.00 C ATOM 802 CG1 ILE A 52 -0.493 -23.036 2.668 1.00 0.00 C ATOM 803 CG2 ILE A 52 -2.560 -21.934 3.539 1.00 0.00 C ATOM 804 CD1 ILE A 52 -1.418 -23.902 1.811 1.00 0.00 C ATOM 0 H ILE A 52 0.951 -23.210 5.013 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.219 -20.697 4.066 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.427 -23.457 4.560 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.163 -22.166 2.100 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.401 -23.598 2.939 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -3.174 -22.652 2.995 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -3.086 -21.614 4.438 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.366 -21.069 2.905 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.889 -24.220 0.913 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -1.726 -24.779 2.380 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.298 -23.325 1.528 1.00 0.00 H new ATOM 816 N ARG A 53 -1.519 -19.939 6.057 1.00 0.00 N ATOM 817 CA ARG A 53 -2.228 -19.465 7.275 1.00 0.00 C ATOM 818 C ARG A 53 -3.681 -19.928 7.220 1.00 0.00 C ATOM 819 O ARG A 53 -4.227 -20.432 8.182 1.00 0.00 O ATOM 820 CB ARG A 53 -2.191 -17.938 7.312 1.00 0.00 C ATOM 821 CG ARG A 53 -2.835 -17.443 8.607 1.00 0.00 C ATOM 822 CD ARG A 53 -2.643 -15.929 8.726 1.00 0.00 C ATOM 823 NE ARG A 53 -3.203 -15.458 10.024 1.00 0.00 N ATOM 824 CZ ARG A 53 -4.285 -14.728 10.042 1.00 0.00 C ATOM 825 NH1 ARG A 53 -5.378 -15.166 9.480 1.00 0.00 N ATOM 826 NH2 ARG A 53 -4.272 -13.559 10.623 1.00 0.00 N ATOM 0 H ARG A 53 -1.397 -19.236 5.328 1.00 0.00 H new ATOM 0 HA ARG A 53 -1.745 -19.869 8.165 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -1.161 -17.587 7.248 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -2.720 -17.530 6.451 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -3.897 -17.687 8.614 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -2.387 -17.946 9.464 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -1.584 -15.680 8.663 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -3.139 -15.422 7.898 1.00 0.00 H new ATOM 0 HE ARG A 53 -2.741 -15.706 10.899 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -5.387 -16.079 9.026 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -6.223 -14.595 9.495 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -3.417 -13.217 11.062 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -5.117 -12.987 10.638 1.00 0.00 H new ATOM 840 N SER A 54 -4.306 -19.755 6.095 1.00 0.00 N ATOM 841 CA SER A 54 -5.726 -20.172 5.951 1.00 0.00 C ATOM 842 C SER A 54 -6.059 -20.312 4.464 1.00 0.00 C ATOM 843 O SER A 54 -5.524 -19.606 3.632 1.00 0.00 O ATOM 844 CB SER A 54 -6.632 -19.113 6.580 1.00 0.00 C ATOM 845 OG SER A 54 -6.606 -19.247 7.994 1.00 0.00 O ATOM 0 H SER A 54 -3.892 -19.339 5.261 1.00 0.00 H new ATOM 0 HA SER A 54 -5.883 -21.127 6.453 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.298 -18.116 6.292 1.00 0.00 H new ATOM 0 HB3 SER A 54 -7.652 -19.226 6.212 1.00 0.00 H new ATOM 0 HG SER A 54 -5.961 -19.940 8.245 1.00 0.00 H new ATOM 851 N THR A 55 -6.936 -21.212 4.121 1.00 0.00 N ATOM 852 CA THR A 55 -7.294 -21.386 2.686 1.00 0.00 C ATOM 853 C THR A 55 -7.897 -20.086 2.151 1.00 0.00 C ATOM 854 O THR A 55 -8.584 -19.372 2.855 1.00 0.00 O ATOM 855 CB THR A 55 -8.314 -22.518 2.547 1.00 0.00 C ATOM 856 OG1 THR A 55 -9.598 -22.048 2.934 1.00 0.00 O ATOM 857 CG2 THR A 55 -7.905 -23.688 3.442 1.00 0.00 C ATOM 0 H THR A 55 -7.420 -21.833 4.770 1.00 0.00 H new ATOM 0 HA THR A 55 -6.399 -21.634 2.115 1.00 0.00 H new ATOM 0 HB THR A 55 -8.347 -22.852 1.510 1.00 0.00 H new ATOM 0 HG1 THR A 55 -10.252 -22.772 2.844 1.00 0.00 H new ATOM 0 HG21 THR A 55 -8.632 -24.494 3.342 1.00 0.00 H new ATOM 0 HG22 THR A 55 -6.921 -24.048 3.143 1.00 0.00 H new ATOM 0 HG23 THR A 55 -7.870 -23.357 4.480 1.00 0.00 H new ATOM 865 N GLY A 56 -7.644 -19.771 0.911 1.00 0.00 N ATOM 866 CA GLY A 56 -8.197 -18.516 0.329 1.00 0.00 C ATOM 867 C GLY A 56 -7.202 -17.377 0.539 1.00 0.00 C ATOM 868 O GLY A 56 -6.268 -17.486 1.308 1.00 0.00 O ATOM 0 H GLY A 56 -7.077 -20.330 0.274 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -8.393 -18.651 -0.735 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -9.149 -18.273 0.800 1.00 0.00 H new ATOM 872 N LYS A 57 -7.396 -16.283 -0.141 1.00 0.00 N ATOM 873 CA LYS A 57 -6.463 -15.131 0.014 1.00 0.00 C ATOM 874 C LYS A 57 -6.608 -14.541 1.421 1.00 0.00 C ATOM 875 O LYS A 57 -7.664 -14.591 2.018 1.00 0.00 O ATOM 876 CB LYS A 57 -6.800 -14.057 -1.023 1.00 0.00 C ATOM 877 CG LYS A 57 -6.572 -14.611 -2.431 1.00 0.00 C ATOM 878 CD LYS A 57 -6.555 -13.456 -3.436 1.00 0.00 C ATOM 879 CE LYS A 57 -6.473 -14.016 -4.858 1.00 0.00 C ATOM 880 NZ LYS A 57 -6.443 -12.889 -5.834 1.00 0.00 N ATOM 0 H LYS A 57 -8.161 -16.135 -0.799 1.00 0.00 H new ATOM 0 HA LYS A 57 -5.439 -15.473 -0.135 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -7.837 -13.741 -0.910 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -6.179 -13.176 -0.863 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -5.629 -15.156 -2.471 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -7.360 -15.319 -2.687 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -7.454 -12.850 -3.324 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -5.704 -12.803 -3.241 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -5.579 -14.630 -4.968 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -7.329 -14.661 -5.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -6.387 -13.268 -6.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -7.308 -12.320 -5.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -5.613 -12.291 -5.648 1.00 0.00 H new ATOM 894 N CYS A 58 -5.555 -13.979 1.952 1.00 0.00 N ATOM 895 CA CYS A 58 -5.638 -13.383 3.317 1.00 0.00 C ATOM 896 C CYS A 58 -6.698 -12.280 3.324 1.00 0.00 C ATOM 897 O CYS A 58 -6.950 -11.643 2.321 1.00 0.00 O ATOM 898 CB CYS A 58 -4.282 -12.784 3.699 1.00 0.00 C ATOM 899 SG CYS A 58 -3.006 -14.065 3.627 1.00 0.00 S ATOM 0 H CYS A 58 -4.643 -13.907 1.501 1.00 0.00 H new ATOM 0 HA CYS A 58 -5.908 -14.157 4.035 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -4.030 -11.968 3.021 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -4.330 -12.361 4.703 1.00 0.00 H new ATOM 904 N GLU A 59 -7.320 -12.047 4.448 1.00 0.00 N ATOM 905 CA GLU A 59 -8.362 -10.984 4.515 1.00 0.00 C ATOM 906 C GLU A 59 -7.694 -9.608 4.436 1.00 0.00 C ATOM 907 O GLU A 59 -6.991 -9.258 5.369 1.00 0.00 O ATOM 908 CB GLU A 59 -9.130 -11.102 5.833 1.00 0.00 C ATOM 909 CG GLU A 59 -10.310 -10.128 5.824 1.00 0.00 C ATOM 910 CD GLU A 59 -11.031 -10.187 7.172 1.00 0.00 C ATOM 911 OE1 GLU A 59 -10.585 -10.934 8.027 1.00 0.00 O ATOM 912 OE2 GLU A 59 -12.015 -9.484 7.326 1.00 0.00 O ATOM 913 OXT GLU A 59 -7.899 -8.928 3.444 1.00 0.00 O ATOM 0 H GLU A 59 -7.152 -12.546 5.321 1.00 0.00 H new ATOM 0 HA GLU A 59 -9.053 -11.102 3.680 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -9.488 -12.123 5.968 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -8.470 -10.883 6.672 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -9.957 -9.115 5.632 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -11.000 -10.383 5.019 1.00 0.00 H new