USER MOD reduce.3.24.130724 H: found=0, std=0, add=699, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 699 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 66 HIS : no HD1:sc= -14.9! C(o=-27!,f=-25!) USER MOD Set 1.2: A 90 MET CE :methyl -163:sc= -12! (180deg=-9.08!) USER MOD Set 2.1: A 78 MET CE :methyl 178:sc= -1.28 (180deg=-1.29) USER MOD Set 2.2: A 105 SER OG : rot -9:sc= 0.839 USER MOD Set 3.1: A 18 ASN : amide:sc= -0.781 X(o=-1.6,f=-1.7!) USER MOD Set 3.2: A 19 GLN : amide:sc= -0.851 K(o=-1.6,f=-0.78) USER MOD Single : A 7 LYS NZ :NH3+ 171:sc= -0.326 (180deg=-0.543) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.0638 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot -12:sc= -2.6! USER MOD Single : A 25 ASN : amide:sc= -0.0284 X(o=-0.028,f=-0.43) USER MOD Single : A 27 ASN : amide:sc= -0.0126 X(o=-0.013,f=-0.19) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot -73:sc= 1.13 USER MOD Single : A 46 ASN : amide:sc= -15.8! C(o=-16!,f=-7.6!) USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 THR OG1 : rot -172:sc= -2.94 USER MOD Single : A 54 THR OG1 : rot -179:sc= 0.388 USER MOD Single : A 57 HIS : no HD1:sc= -4.87! C(o=-4.9!,f=-4.8!) USER MOD Single : A 60 GLN : amide:sc= -5.27! C(o=-5.3!,f=-4.9!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 TYR OH : rot 153:sc= 0.879 USER MOD Single : A 67 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 140:sc= 0.00737 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot -118:sc= 0.205 USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 LYS NZ :NH3+ 166:sc= -1.91! (180deg=-2.76!) USER MOD Single : A 81 LYS NZ :NH3+ -173:sc= -5.19! (180deg=-5.57!) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 50:sc= -1.38 USER MOD Single : A 94 THR OG1 : rot 2:sc= 1.01 USER MOD Single : A 99 ASN : amide:sc= -19.3! C(o=-19!,f=-18!) USER MOD ----------------------------------------------------------------- ATOM 77 N LEU A 5 11.451 -3.199 -3.839 1.00 0.00 N ATOM 78 CA LEU A 5 12.116 -3.772 -4.990 1.00 0.00 C ATOM 79 C LEU A 5 13.287 -2.891 -5.401 1.00 0.00 C ATOM 80 O LEU A 5 13.135 -1.681 -5.551 1.00 0.00 O ATOM 81 CB LEU A 5 11.119 -3.913 -6.136 1.00 0.00 C ATOM 82 CG LEU A 5 10.500 -5.308 -6.102 1.00 0.00 C ATOM 83 CD1 LEU A 5 11.609 -6.356 -6.073 1.00 0.00 C ATOM 84 CD2 LEU A 5 9.633 -5.450 -4.855 1.00 0.00 C ATOM 0 HA LEU A 5 12.501 -4.760 -4.737 1.00 0.00 H new ATOM 0 HB2 LEU A 5 10.340 -3.155 -6.050 1.00 0.00 H new ATOM 0 HB3 LEU A 5 11.620 -3.749 -7.090 1.00 0.00 H new ATOM 0 HG LEU A 5 9.885 -5.454 -6.990 1.00 0.00 H new ATOM 0 HD11 LEU A 5 11.168 -7.352 -6.049 1.00 0.00 H new ATOM 0 HD12 LEU A 5 12.228 -6.255 -6.964 1.00 0.00 H new ATOM 0 HD13 LEU A 5 12.224 -6.210 -5.185 1.00 0.00 H new ATOM 0 HD21 LEU A 5 9.191 -6.446 -4.831 1.00 0.00 H new ATOM 0 HD22 LEU A 5 10.247 -5.304 -3.966 1.00 0.00 H new ATOM 0 HD23 LEU A 5 8.841 -4.702 -4.876 1.00 0.00 H new ATOM 96 N CYS A 6 14.460 -3.503 -5.583 1.00 0.00 N ATOM 97 CA CYS A 6 15.651 -2.775 -5.975 1.00 0.00 C ATOM 98 C CYS A 6 16.552 -3.673 -6.809 1.00 0.00 C ATOM 99 O CYS A 6 16.418 -4.895 -6.775 1.00 0.00 O ATOM 100 CB CYS A 6 16.379 -2.284 -4.728 1.00 0.00 C ATOM 101 SG CYS A 6 15.280 -1.828 -3.364 1.00 0.00 S ATOM 0 H CYS A 6 14.602 -4.506 -5.462 1.00 0.00 H new ATOM 0 HA CYS A 6 15.373 -1.912 -6.580 1.00 0.00 H new ATOM 0 HB2 CYS A 6 17.060 -3.064 -4.387 1.00 0.00 H new ATOM 0 HB3 CYS A 6 16.990 -1.421 -4.993 1.00 0.00 H new ATOM 106 N LYS A 7 17.476 -3.066 -7.558 1.00 0.00 N ATOM 107 CA LYS A 7 18.392 -3.813 -8.395 1.00 0.00 C ATOM 108 C LYS A 7 19.398 -4.555 -7.526 1.00 0.00 C ATOM 109 O LYS A 7 19.966 -3.983 -6.600 1.00 0.00 O ATOM 110 CB LYS A 7 19.103 -2.859 -9.349 1.00 0.00 C ATOM 111 CG LYS A 7 18.338 -2.795 -10.668 1.00 0.00 C ATOM 112 CD LYS A 7 16.969 -2.165 -10.432 1.00 0.00 C ATOM 113 CE LYS A 7 16.281 -1.924 -11.773 1.00 0.00 C ATOM 114 NZ LYS A 7 16.663 -0.620 -12.336 1.00 0.00 N ATOM 0 H LYS A 7 17.602 -2.055 -7.595 1.00 0.00 H new ATOM 0 HA LYS A 7 17.838 -4.546 -8.981 1.00 0.00 H new ATOM 0 HB2 LYS A 7 19.168 -1.865 -8.905 1.00 0.00 H new ATOM 0 HB3 LYS A 7 20.124 -3.197 -9.525 1.00 0.00 H new ATOM 0 HG2 LYS A 7 18.898 -2.210 -11.398 1.00 0.00 H new ATOM 0 HG3 LYS A 7 18.223 -3.796 -11.083 1.00 0.00 H new ATOM 0 HD2 LYS A 7 16.358 -2.820 -9.810 1.00 0.00 H new ATOM 0 HD3 LYS A 7 17.078 -1.224 -9.893 1.00 0.00 H new ATOM 0 HE2 LYS A 7 16.549 -2.718 -12.471 1.00 0.00 H new ATOM 0 HE3 LYS A 7 15.200 -1.965 -11.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 16.307 -0.545 -13.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 16.253 0.141 -11.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 17.699 -0.533 -12.339 1.00 0.00 H new ATOM 128 N PHE A 8 19.618 -5.837 -7.829 1.00 0.00 N ATOM 129 CA PHE A 8 20.552 -6.650 -7.076 1.00 0.00 C ATOM 130 C PHE A 8 21.397 -7.482 -8.030 1.00 0.00 C ATOM 131 O PHE A 8 21.043 -8.615 -8.350 1.00 0.00 O ATOM 132 CB PHE A 8 19.782 -7.547 -6.112 1.00 0.00 C ATOM 133 CG PHE A 8 20.653 -8.180 -5.053 1.00 0.00 C ATOM 134 CD1 PHE A 8 21.584 -9.163 -5.407 1.00 0.00 C ATOM 135 CD2 PHE A 8 20.529 -7.782 -3.716 1.00 0.00 C ATOM 136 CE1 PHE A 8 22.393 -9.748 -4.425 1.00 0.00 C ATOM 137 CE2 PHE A 8 21.336 -8.367 -2.734 1.00 0.00 C ATOM 138 CZ PHE A 8 22.269 -9.351 -3.089 1.00 0.00 C ATOM 0 H PHE A 8 19.156 -6.328 -8.595 1.00 0.00 H new ATOM 0 HA PHE A 8 21.217 -6.007 -6.500 1.00 0.00 H new ATOM 0 HB2 PHE A 8 19.002 -6.960 -5.627 1.00 0.00 H new ATOM 0 HB3 PHE A 8 19.284 -8.333 -6.679 1.00 0.00 H new ATOM 0 HD1 PHE A 8 21.679 -9.471 -6.438 1.00 0.00 H new ATOM 0 HD2 PHE A 8 19.810 -7.023 -3.443 1.00 0.00 H new ATOM 0 HE1 PHE A 8 23.113 -10.505 -4.699 1.00 0.00 H new ATOM 0 HE2 PHE A 8 21.240 -8.060 -1.703 1.00 0.00 H new ATOM 0 HZ PHE A 8 22.892 -9.803 -2.331 1.00 0.00 H new ATOM 148 N CYS A 9 22.519 -6.917 -8.484 1.00 0.00 N ATOM 149 CA CYS A 9 23.409 -7.607 -9.397 1.00 0.00 C ATOM 150 C CYS A 9 24.853 -7.386 -8.971 1.00 0.00 C ATOM 151 O CYS A 9 25.144 -6.474 -8.202 1.00 0.00 O ATOM 152 CB CYS A 9 23.178 -7.094 -10.816 1.00 0.00 C ATOM 153 SG CYS A 9 21.770 -5.967 -10.970 1.00 0.00 S ATOM 0 H CYS A 9 22.826 -5.979 -8.228 1.00 0.00 H new ATOM 0 HA CYS A 9 23.204 -8.677 -9.375 1.00 0.00 H new ATOM 0 HB2 CYS A 9 24.078 -6.583 -11.158 1.00 0.00 H new ATOM 0 HB3 CYS A 9 23.023 -7.945 -11.479 1.00 0.00 H new ATOM 158 N ASP A 10 25.760 -8.227 -9.475 1.00 0.00 N ATOM 159 CA ASP A 10 27.167 -8.122 -9.145 1.00 0.00 C ATOM 160 C ASP A 10 27.755 -6.876 -9.792 1.00 0.00 C ATOM 161 O ASP A 10 27.122 -6.261 -10.647 1.00 0.00 O ATOM 162 CB ASP A 10 27.896 -9.375 -9.621 1.00 0.00 C ATOM 163 CG ASP A 10 26.977 -10.587 -9.580 1.00 0.00 C ATOM 164 OD1 ASP A 10 26.473 -10.880 -8.474 1.00 0.00 O ATOM 165 OD2 ASP A 10 26.794 -11.197 -10.655 1.00 0.00 O ATOM 0 H ASP A 10 25.535 -8.988 -10.115 1.00 0.00 H new ATOM 0 HA ASP A 10 27.287 -8.038 -8.065 1.00 0.00 H new ATOM 0 HB2 ASP A 10 28.261 -9.224 -10.637 1.00 0.00 H new ATOM 0 HB3 ASP A 10 28.768 -9.554 -8.992 1.00 0.00 H new ATOM 170 N VAL A 11 28.971 -6.506 -9.383 1.00 0.00 N ATOM 171 CA VAL A 11 29.637 -5.337 -9.924 1.00 0.00 C ATOM 172 C VAL A 11 30.208 -5.660 -11.297 1.00 0.00 C ATOM 173 O VAL A 11 31.027 -6.566 -11.434 1.00 0.00 O ATOM 174 CB VAL A 11 30.742 -4.896 -8.969 1.00 0.00 C ATOM 175 CG1 VAL A 11 31.126 -6.060 -8.060 1.00 0.00 C ATOM 176 CG2 VAL A 11 31.961 -4.453 -9.772 1.00 0.00 C ATOM 0 H VAL A 11 29.509 -7.007 -8.676 1.00 0.00 H new ATOM 0 HA VAL A 11 28.921 -4.522 -10.032 1.00 0.00 H new ATOM 0 HB VAL A 11 30.386 -4.064 -8.361 1.00 0.00 H new ATOM 0 HG11 VAL A 11 31.915 -5.744 -7.378 1.00 0.00 H new ATOM 0 HG12 VAL A 11 30.255 -6.376 -7.486 1.00 0.00 H new ATOM 0 HG13 VAL A 11 31.482 -6.893 -8.666 1.00 0.00 H new ATOM 0 HG21 VAL A 11 32.751 -4.138 -9.090 1.00 0.00 H new ATOM 0 HG22 VAL A 11 32.317 -5.284 -10.381 1.00 0.00 H new ATOM 0 HG23 VAL A 11 31.687 -3.620 -10.420 1.00 0.00 H new ATOM 186 N LYS A 12 29.773 -4.916 -12.316 1.00 0.00 N ATOM 187 CA LYS A 12 30.244 -5.126 -13.670 1.00 0.00 C ATOM 188 C LYS A 12 30.545 -3.788 -14.328 1.00 0.00 C ATOM 189 O LYS A 12 30.076 -2.747 -13.872 1.00 0.00 O ATOM 190 CB LYS A 12 29.186 -5.891 -14.462 1.00 0.00 C ATOM 191 CG LYS A 12 27.831 -5.738 -13.779 1.00 0.00 C ATOM 192 CD LYS A 12 26.731 -6.241 -14.710 1.00 0.00 C ATOM 193 CE LYS A 12 25.966 -5.051 -15.283 1.00 0.00 C ATOM 194 NZ LYS A 12 26.321 -4.825 -16.692 1.00 0.00 N ATOM 0 H LYS A 12 29.093 -4.162 -12.220 1.00 0.00 H new ATOM 0 HA LYS A 12 31.163 -5.712 -13.651 1.00 0.00 H new ATOM 0 HB2 LYS A 12 29.136 -5.512 -15.483 1.00 0.00 H new ATOM 0 HB3 LYS A 12 29.456 -6.945 -14.526 1.00 0.00 H new ATOM 0 HG2 LYS A 12 27.817 -6.300 -12.845 1.00 0.00 H new ATOM 0 HG3 LYS A 12 27.656 -4.693 -13.524 1.00 0.00 H new ATOM 0 HD2 LYS A 12 27.165 -6.831 -15.517 1.00 0.00 H new ATOM 0 HD3 LYS A 12 26.051 -6.896 -14.166 1.00 0.00 H new ATOM 0 HE2 LYS A 12 24.894 -5.229 -15.198 1.00 0.00 H new ATOM 0 HE3 LYS A 12 26.188 -4.157 -14.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 25.788 -4.011 -17.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 27.340 -4.633 -16.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 26.086 -5.671 -17.249 1.00 0.00 H new ATOM 208 N ALA A 13 31.333 -3.816 -15.407 1.00 0.00 N ATOM 209 CA ALA A 13 31.694 -2.609 -16.122 1.00 0.00 C ATOM 210 C ALA A 13 30.443 -1.799 -16.433 1.00 0.00 C ATOM 211 O ALA A 13 29.601 -2.230 -17.217 1.00 0.00 O ATOM 212 CB ALA A 13 32.431 -2.980 -17.405 1.00 0.00 C ATOM 0 H ALA A 13 31.730 -4.670 -15.798 1.00 0.00 H new ATOM 0 HA ALA A 13 32.353 -1.999 -15.504 1.00 0.00 H new ATOM 0 HB1 ALA A 13 32.703 -2.072 -17.944 1.00 0.00 H new ATOM 0 HB2 ALA A 13 33.333 -3.539 -17.158 1.00 0.00 H new ATOM 0 HB3 ALA A 13 31.784 -3.594 -18.032 1.00 0.00 H new ATOM 218 N THR A 14 30.323 -0.622 -15.814 1.00 0.00 N ATOM 219 CA THR A 14 29.177 0.238 -16.030 1.00 0.00 C ATOM 220 C THR A 14 29.540 1.353 -17.000 1.00 0.00 C ATOM 221 O THR A 14 30.716 1.594 -17.264 1.00 0.00 O ATOM 222 CB THR A 14 28.715 0.813 -14.694 1.00 0.00 C ATOM 223 OG1 THR A 14 27.577 1.620 -14.899 1.00 0.00 O ATOM 224 CG2 THR A 14 29.833 1.654 -14.088 1.00 0.00 C ATOM 0 H THR A 14 31.011 -0.250 -15.160 1.00 0.00 H new ATOM 0 HA THR A 14 28.362 -0.341 -16.464 1.00 0.00 H new ATOM 0 HB THR A 14 28.465 -0.002 -14.014 1.00 0.00 H new ATOM 0 HG1 THR A 14 27.278 1.988 -14.041 1.00 0.00 H new ATOM 0 HG21 THR A 14 29.503 2.065 -13.134 1.00 0.00 H new ATOM 0 HG22 THR A 14 30.713 1.030 -13.930 1.00 0.00 H new ATOM 0 HG23 THR A 14 30.084 2.469 -14.767 1.00 0.00 H new ATOM 232 N THR A 15 28.523 2.035 -17.531 1.00 0.00 N ATOM 233 CA THR A 15 28.741 3.121 -18.466 1.00 0.00 C ATOM 234 C THR A 15 28.168 4.413 -17.904 1.00 0.00 C ATOM 235 O THR A 15 27.994 5.389 -18.632 1.00 0.00 O ATOM 236 CB THR A 15 28.090 2.777 -19.803 1.00 0.00 C ATOM 237 OG1 THR A 15 26.695 2.659 -19.630 1.00 0.00 O ATOM 238 CG2 THR A 15 28.652 1.456 -20.319 1.00 0.00 C ATOM 0 H THR A 15 27.542 1.848 -17.324 1.00 0.00 H new ATOM 0 HA THR A 15 29.811 3.261 -18.621 1.00 0.00 H new ATOM 0 HB THR A 15 28.302 3.567 -20.523 1.00 0.00 H new ATOM 0 HG1 THR A 15 26.276 2.440 -20.489 1.00 0.00 H new ATOM 0 HG21 THR A 15 28.187 1.211 -21.274 1.00 0.00 H new ATOM 0 HG22 THR A 15 29.730 1.547 -20.453 1.00 0.00 H new ATOM 0 HG23 THR A 15 28.441 0.665 -19.599 1.00 0.00 H new ATOM 246 N CYS A 16 27.874 4.418 -16.602 1.00 0.00 N ATOM 247 CA CYS A 16 27.323 5.587 -15.946 1.00 0.00 C ATOM 248 C CYS A 16 28.452 6.472 -15.438 1.00 0.00 C ATOM 249 O CYS A 16 29.439 5.977 -14.901 1.00 0.00 O ATOM 250 CB CYS A 16 26.422 5.147 -14.796 1.00 0.00 C ATOM 251 SG CYS A 16 24.821 5.991 -14.750 1.00 0.00 S ATOM 0 H CYS A 16 28.012 3.617 -15.986 1.00 0.00 H new ATOM 0 HA CYS A 16 26.728 6.161 -16.656 1.00 0.00 H new ATOM 0 HB2 CYS A 16 26.253 4.073 -14.871 1.00 0.00 H new ATOM 0 HB3 CYS A 16 26.941 5.323 -13.854 1.00 0.00 H new ATOM 256 N SER A 17 28.304 7.788 -15.610 1.00 0.00 N ATOM 257 CA SER A 17 29.309 8.734 -15.168 1.00 0.00 C ATOM 258 C SER A 17 28.811 9.482 -13.940 1.00 0.00 C ATOM 259 O SER A 17 27.614 9.500 -13.663 1.00 0.00 O ATOM 260 CB SER A 17 29.625 9.705 -16.302 1.00 0.00 C ATOM 261 OG SER A 17 30.487 9.081 -17.228 1.00 0.00 O ATOM 0 H SER A 17 27.492 8.215 -16.055 1.00 0.00 H new ATOM 0 HA SER A 17 30.221 8.202 -14.898 1.00 0.00 H new ATOM 0 HB2 SER A 17 28.705 10.015 -16.797 1.00 0.00 H new ATOM 0 HB3 SER A 17 30.092 10.606 -15.904 1.00 0.00 H new ATOM 0 HG SER A 17 30.689 9.703 -17.958 1.00 0.00 H new ATOM 267 N ASN A 18 29.736 10.100 -13.202 1.00 0.00 N ATOM 268 CA ASN A 18 29.386 10.847 -12.010 1.00 0.00 C ATOM 269 C ASN A 18 28.560 12.069 -12.387 1.00 0.00 C ATOM 270 O ASN A 18 29.002 13.201 -12.207 1.00 0.00 O ATOM 271 CB ASN A 18 30.660 11.260 -11.279 1.00 0.00 C ATOM 272 CG ASN A 18 31.686 11.824 -12.252 1.00 0.00 C ATOM 273 OD1 ASN A 18 31.336 12.580 -13.156 1.00 0.00 O ATOM 274 ND2 ASN A 18 32.955 11.457 -12.064 1.00 0.00 N ATOM 0 H ASN A 18 30.733 10.093 -13.417 1.00 0.00 H new ATOM 0 HA ASN A 18 28.788 10.221 -11.348 1.00 0.00 H new ATOM 0 HB2 ASN A 18 30.423 12.006 -10.521 1.00 0.00 H new ATOM 0 HB3 ASN A 18 31.081 10.400 -10.759 1.00 0.00 H new ATOM 0 HD21 ASN A 18 33.684 11.807 -12.685 1.00 0.00 H new ATOM 0 HD22 ASN A 18 33.196 10.827 -11.299 1.00 0.00 H new ATOM 281 N GLN A 19 27.354 11.834 -12.910 1.00 0.00 N ATOM 282 CA GLN A 19 26.472 12.913 -13.309 1.00 0.00 C ATOM 283 C GLN A 19 25.376 13.097 -12.269 1.00 0.00 C ATOM 284 O GLN A 19 25.123 12.201 -11.467 1.00 0.00 O ATOM 285 CB GLN A 19 25.873 12.598 -14.676 1.00 0.00 C ATOM 286 CG GLN A 19 26.944 11.981 -15.572 1.00 0.00 C ATOM 287 CD GLN A 19 27.828 13.058 -16.183 1.00 0.00 C ATOM 288 OE1 GLN A 19 27.622 13.457 -17.328 1.00 0.00 O ATOM 289 NE2 GLN A 19 28.815 13.527 -15.417 1.00 0.00 N ATOM 0 H GLN A 19 26.973 10.900 -13.064 1.00 0.00 H new ATOM 0 HA GLN A 19 27.037 13.843 -13.379 1.00 0.00 H new ATOM 0 HB2 GLN A 19 25.034 11.910 -14.567 1.00 0.00 H new ATOM 0 HB3 GLN A 19 25.482 13.508 -15.132 1.00 0.00 H new ATOM 0 HG2 GLN A 19 27.555 11.290 -14.992 1.00 0.00 H new ATOM 0 HG3 GLN A 19 26.471 11.401 -16.364 1.00 0.00 H new ATOM 0 HE21 GLN A 19 28.945 13.163 -14.473 1.00 0.00 H new ATOM 0 HE22 GLN A 19 29.440 14.249 -15.776 1.00 0.00 H new ATOM 298 N ASP A 20 24.727 14.263 -12.285 1.00 0.00 N ATOM 299 CA ASP A 20 23.663 14.557 -11.345 1.00 0.00 C ATOM 300 C ASP A 20 22.849 13.300 -11.078 1.00 0.00 C ATOM 301 O ASP A 20 22.763 12.843 -9.940 1.00 0.00 O ATOM 302 CB ASP A 20 22.779 15.665 -11.911 1.00 0.00 C ATOM 303 CG ASP A 20 23.323 17.038 -11.542 1.00 0.00 C ATOM 304 OD1 ASP A 20 24.493 17.299 -11.898 1.00 0.00 O ATOM 305 OD2 ASP A 20 22.559 17.800 -10.911 1.00 0.00 O ATOM 0 H ASP A 20 24.926 15.016 -12.944 1.00 0.00 H new ATOM 0 HA ASP A 20 24.089 14.896 -10.401 1.00 0.00 H new ATOM 0 HB2 ASP A 20 22.722 15.572 -12.996 1.00 0.00 H new ATOM 0 HB3 ASP A 20 21.764 15.557 -11.528 1.00 0.00 H new ATOM 310 N GLN A 21 22.249 12.740 -12.131 1.00 0.00 N ATOM 311 CA GLN A 21 21.445 11.540 -12.003 1.00 0.00 C ATOM 312 C GLN A 21 22.005 10.445 -12.900 1.00 0.00 C ATOM 313 O GLN A 21 22.285 10.683 -14.073 1.00 0.00 O ATOM 314 CB GLN A 21 20.000 11.858 -12.376 1.00 0.00 C ATOM 315 CG GLN A 21 19.977 12.883 -13.506 1.00 0.00 C ATOM 316 CD GLN A 21 18.689 12.777 -14.310 1.00 0.00 C ATOM 317 OE1 GLN A 21 17.773 13.575 -14.126 1.00 0.00 O ATOM 318 NE2 GLN A 21 18.620 11.786 -15.203 1.00 0.00 N ATOM 0 H GLN A 21 22.310 13.106 -13.081 1.00 0.00 H new ATOM 0 HA GLN A 21 21.473 11.186 -10.972 1.00 0.00 H new ATOM 0 HB2 GLN A 21 19.485 10.949 -12.686 1.00 0.00 H new ATOM 0 HB3 GLN A 21 19.467 12.246 -11.508 1.00 0.00 H new ATOM 0 HG2 GLN A 21 20.071 13.887 -13.093 1.00 0.00 H new ATOM 0 HG3 GLN A 21 20.834 12.727 -14.162 1.00 0.00 H new ATOM 0 HE21 GLN A 21 19.408 11.148 -15.319 1.00 0.00 H new ATOM 0 HE22 GLN A 21 17.780 11.667 -15.769 1.00 0.00 H new ATOM 327 N CYS A 22 22.168 9.243 -12.344 1.00 0.00 N ATOM 328 CA CYS A 22 22.691 8.118 -13.093 1.00 0.00 C ATOM 329 C CYS A 22 21.897 6.863 -12.759 1.00 0.00 C ATOM 330 O CYS A 22 21.226 6.805 -11.732 1.00 0.00 O ATOM 331 CB CYS A 22 24.168 7.928 -12.758 1.00 0.00 C ATOM 332 SG CYS A 22 25.265 8.011 -14.196 1.00 0.00 S ATOM 0 H CYS A 22 21.942 9.031 -11.372 1.00 0.00 H new ATOM 0 HA CYS A 22 22.596 8.311 -14.162 1.00 0.00 H new ATOM 0 HB2 CYS A 22 24.468 8.691 -12.040 1.00 0.00 H new ATOM 0 HB3 CYS A 22 24.298 6.962 -12.270 1.00 0.00 H new ATOM 337 N THR A 23 21.975 5.857 -13.633 1.00 0.00 N ATOM 338 CA THR A 23 21.263 4.612 -13.424 1.00 0.00 C ATOM 339 C THR A 23 22.255 3.481 -13.188 1.00 0.00 C ATOM 340 O THR A 23 23.426 3.593 -13.543 1.00 0.00 O ATOM 341 CB THR A 23 20.387 4.317 -14.638 1.00 0.00 C ATOM 342 OG1 THR A 23 19.543 5.419 -14.887 1.00 0.00 O ATOM 343 CG2 THR A 23 19.540 3.077 -14.367 1.00 0.00 C ATOM 0 H THR A 23 22.527 5.888 -14.490 1.00 0.00 H new ATOM 0 HA THR A 23 20.626 4.698 -12.544 1.00 0.00 H new ATOM 0 HB THR A 23 21.020 4.140 -15.508 1.00 0.00 H new ATOM 0 HG1 THR A 23 18.981 5.231 -15.668 1.00 0.00 H new ATOM 0 HG21 THR A 23 18.915 2.867 -15.235 1.00 0.00 H new ATOM 0 HG22 THR A 23 20.193 2.225 -14.175 1.00 0.00 H new ATOM 0 HG23 THR A 23 18.907 3.252 -13.497 1.00 0.00 H new ATOM 351 N SER A 24 21.780 2.389 -12.587 1.00 0.00 N ATOM 352 CA SER A 24 22.624 1.243 -12.308 1.00 0.00 C ATOM 353 C SER A 24 22.752 0.380 -13.554 1.00 0.00 C ATOM 354 O SER A 24 23.701 -0.390 -13.686 1.00 0.00 O ATOM 355 CB SER A 24 22.027 0.442 -11.154 1.00 0.00 C ATOM 356 OG SER A 24 22.577 -0.856 -11.151 1.00 0.00 O ATOM 0 H SER A 24 20.811 2.281 -12.286 1.00 0.00 H new ATOM 0 HA SER A 24 23.620 1.581 -12.022 1.00 0.00 H new ATOM 0 HB2 SER A 24 22.234 0.939 -10.206 1.00 0.00 H new ATOM 0 HB3 SER A 24 20.943 0.389 -11.256 1.00 0.00 H new ATOM 0 HG SER A 24 23.059 -1.009 -11.991 1.00 0.00 H new ATOM 362 N ASN A 25 21.792 0.510 -14.473 1.00 0.00 N ATOM 363 CA ASN A 25 21.803 -0.256 -15.703 1.00 0.00 C ATOM 364 C ASN A 25 21.447 -1.707 -15.414 1.00 0.00 C ATOM 365 O ASN A 25 21.219 -2.489 -16.334 1.00 0.00 O ATOM 366 CB ASN A 25 23.182 -0.156 -16.350 1.00 0.00 C ATOM 367 CG ASN A 25 23.115 -0.507 -17.829 1.00 0.00 C ATOM 368 OD1 ASN A 25 22.268 0.010 -18.554 1.00 0.00 O ATOM 369 ND2 ASN A 25 24.012 -1.389 -18.277 1.00 0.00 N ATOM 0 H ASN A 25 20.998 1.143 -14.380 1.00 0.00 H new ATOM 0 HA ASN A 25 21.061 0.147 -16.392 1.00 0.00 H new ATOM 0 HB2 ASN A 25 23.572 0.855 -16.229 1.00 0.00 H new ATOM 0 HB3 ASN A 25 23.875 -0.828 -15.844 1.00 0.00 H new ATOM 0 HD21 ASN A 25 24.013 -1.660 -19.260 1.00 0.00 H new ATOM 0 HD22 ASN A 25 24.696 -1.791 -17.636 1.00 0.00 H new ATOM 376 N CYS A 26 21.399 -2.064 -14.128 1.00 0.00 N ATOM 377 CA CYS A 26 21.071 -3.416 -13.722 1.00 0.00 C ATOM 378 C CYS A 26 19.622 -3.721 -14.073 1.00 0.00 C ATOM 379 O CYS A 26 18.839 -2.811 -14.332 1.00 0.00 O ATOM 380 CB CYS A 26 21.308 -3.567 -12.222 1.00 0.00 C ATOM 381 SG CYS A 26 22.824 -4.464 -11.804 1.00 0.00 S ATOM 0 H CYS A 26 21.585 -1.426 -13.354 1.00 0.00 H new ATOM 0 HA CYS A 26 21.709 -4.125 -14.250 1.00 0.00 H new ATOM 0 HB2 CYS A 26 21.347 -2.576 -11.769 1.00 0.00 H new ATOM 0 HB3 CYS A 26 20.457 -4.086 -11.780 1.00 0.00 H new ATOM 386 N ASN A 27 19.267 -5.008 -14.081 1.00 0.00 N ATOM 387 CA ASN A 27 17.916 -5.426 -14.399 1.00 0.00 C ATOM 388 C ASN A 27 17.466 -6.511 -13.431 1.00 0.00 C ATOM 389 O ASN A 27 16.648 -7.359 -13.781 1.00 0.00 O ATOM 390 CB ASN A 27 17.867 -5.931 -15.838 1.00 0.00 C ATOM 391 CG ASN A 27 17.665 -4.777 -16.812 1.00 0.00 C ATOM 392 OD1 ASN A 27 16.704 -4.022 -16.691 1.00 0.00 O ATOM 393 ND2 ASN A 27 18.577 -4.643 -17.778 1.00 0.00 N ATOM 0 H ASN A 27 19.905 -5.775 -13.869 1.00 0.00 H new ATOM 0 HA ASN A 27 17.238 -4.578 -14.301 1.00 0.00 H new ATOM 0 HB2 ASN A 27 18.793 -6.455 -16.076 1.00 0.00 H new ATOM 0 HB3 ASN A 27 17.056 -6.651 -15.948 1.00 0.00 H new ATOM 0 HD21 ASN A 27 18.493 -3.887 -18.458 1.00 0.00 H new ATOM 0 HD22 ASN A 27 19.358 -5.297 -17.836 1.00 0.00 H new ATOM 400 N ILE A 28 18.004 -6.481 -12.210 1.00 0.00 N ATOM 401 CA ILE A 28 17.658 -7.457 -11.197 1.00 0.00 C ATOM 402 C ILE A 28 16.556 -6.904 -10.304 1.00 0.00 C ATOM 403 O ILE A 28 16.450 -5.692 -10.124 1.00 0.00 O ATOM 404 CB ILE A 28 18.898 -7.800 -10.376 1.00 0.00 C ATOM 405 CG1 ILE A 28 19.994 -8.318 -11.303 1.00 0.00 C ATOM 406 CG2 ILE A 28 18.549 -8.874 -9.350 1.00 0.00 C ATOM 407 CD1 ILE A 28 19.671 -9.750 -11.721 1.00 0.00 C ATOM 0 H ILE A 28 18.684 -5.784 -11.906 1.00 0.00 H new ATOM 0 HA ILE A 28 17.291 -8.366 -11.673 1.00 0.00 H new ATOM 0 HB ILE A 28 19.250 -6.907 -9.860 1.00 0.00 H new ATOM 0 HG12 ILE A 28 20.073 -7.680 -12.183 1.00 0.00 H new ATOM 0 HG13 ILE A 28 20.959 -8.284 -10.797 1.00 0.00 H new ATOM 0 HG21 ILE A 28 19.435 -9.119 -8.764 1.00 0.00 H new ATOM 0 HG22 ILE A 28 17.766 -8.504 -8.688 1.00 0.00 H new ATOM 0 HG23 ILE A 28 18.196 -9.768 -9.865 1.00 0.00 H new ATOM 0 HD11 ILE A 28 20.453 -10.121 -12.383 1.00 0.00 H new ATOM 0 HD12 ILE A 28 19.614 -10.383 -10.836 1.00 0.00 H new ATOM 0 HD13 ILE A 28 18.714 -9.770 -12.243 1.00 0.00 H new ATOM 419 N THR A 29 15.734 -7.794 -9.744 1.00 0.00 N ATOM 420 CA THR A 29 14.648 -7.386 -8.875 1.00 0.00 C ATOM 421 C THR A 29 14.774 -8.082 -7.527 1.00 0.00 C ATOM 422 O THR A 29 14.465 -9.265 -7.403 1.00 0.00 O ATOM 423 CB THR A 29 13.315 -7.725 -9.536 1.00 0.00 C ATOM 424 OG1 THR A 29 13.439 -7.601 -10.935 1.00 0.00 O ATOM 425 CG2 THR A 29 12.240 -6.767 -9.033 1.00 0.00 C ATOM 0 H THR A 29 15.807 -8.802 -9.882 1.00 0.00 H new ATOM 0 HA THR A 29 14.695 -6.310 -8.710 1.00 0.00 H new ATOM 0 HB THR A 29 13.035 -8.748 -9.286 1.00 0.00 H new ATOM 0 HG1 THR A 29 12.584 -7.820 -11.360 1.00 0.00 H new ATOM 0 HG21 THR A 29 11.288 -7.009 -9.505 1.00 0.00 H new ATOM 0 HG22 THR A 29 12.144 -6.863 -7.952 1.00 0.00 H new ATOM 0 HG23 THR A 29 12.519 -5.743 -9.283 1.00 0.00 H new ATOM 433 N SER A 30 15.230 -7.341 -6.515 1.00 0.00 N ATOM 434 CA SER A 30 15.393 -7.887 -5.183 1.00 0.00 C ATOM 435 C SER A 30 14.318 -7.330 -4.261 1.00 0.00 C ATOM 436 O SER A 30 14.081 -6.124 -4.236 1.00 0.00 O ATOM 437 CB SER A 30 16.785 -7.542 -4.660 1.00 0.00 C ATOM 438 OG SER A 30 16.929 -6.141 -4.596 1.00 0.00 O ATOM 0 H SER A 30 15.491 -6.359 -6.602 1.00 0.00 H new ATOM 0 HA SER A 30 15.289 -8.972 -5.216 1.00 0.00 H new ATOM 0 HB2 SER A 30 16.933 -7.979 -3.672 1.00 0.00 H new ATOM 0 HB3 SER A 30 17.547 -7.967 -5.314 1.00 0.00 H new ATOM 0 HG SER A 30 17.017 -5.779 -5.503 1.00 0.00 H new ATOM 444 N ILE A 31 13.666 -8.214 -3.502 1.00 0.00 N ATOM 445 CA ILE A 31 12.621 -7.810 -2.581 1.00 0.00 C ATOM 446 C ILE A 31 13.180 -7.740 -1.167 1.00 0.00 C ATOM 447 O ILE A 31 13.852 -8.666 -0.717 1.00 0.00 O ATOM 448 CB ILE A 31 11.465 -8.804 -2.657 1.00 0.00 C ATOM 449 CG1 ILE A 31 11.960 -10.118 -3.253 1.00 0.00 C ATOM 450 CG2 ILE A 31 10.360 -8.230 -3.539 1.00 0.00 C ATOM 451 CD1 ILE A 31 10.765 -10.995 -3.614 1.00 0.00 C ATOM 0 H ILE A 31 13.850 -9.217 -3.513 1.00 0.00 H new ATOM 0 HA ILE A 31 12.251 -6.822 -2.854 1.00 0.00 H new ATOM 0 HB ILE A 31 11.075 -8.985 -1.655 1.00 0.00 H new ATOM 0 HG12 ILE A 31 12.563 -9.923 -4.140 1.00 0.00 H new ATOM 0 HG13 ILE A 31 12.601 -10.635 -2.539 1.00 0.00 H new ATOM 0 HG21 ILE A 31 9.534 -8.939 -3.594 1.00 0.00 H new ATOM 0 HG22 ILE A 31 10.005 -7.291 -3.113 1.00 0.00 H new ATOM 0 HG23 ILE A 31 10.751 -8.049 -4.540 1.00 0.00 H new ATOM 0 HD11 ILE A 31 11.118 -11.934 -4.040 1.00 0.00 H new ATOM 0 HD12 ILE A 31 10.180 -11.201 -2.717 1.00 0.00 H new ATOM 0 HD13 ILE A 31 10.141 -10.478 -4.343 1.00 0.00 H new ATOM 463 N CYS A 32 12.903 -6.638 -0.467 1.00 0.00 N ATOM 464 CA CYS A 32 13.378 -6.453 0.889 1.00 0.00 C ATOM 465 C CYS A 32 12.406 -5.571 1.660 1.00 0.00 C ATOM 466 O CYS A 32 12.816 -4.620 2.320 1.00 0.00 O ATOM 467 CB CYS A 32 14.769 -5.826 0.860 1.00 0.00 C ATOM 468 SG CYS A 32 15.923 -6.650 -0.268 1.00 0.00 S ATOM 0 H CYS A 32 12.348 -5.861 -0.827 1.00 0.00 H new ATOM 0 HA CYS A 32 13.439 -7.419 1.391 1.00 0.00 H new ATOM 0 HB2 CYS A 32 14.679 -4.779 0.571 1.00 0.00 H new ATOM 0 HB3 CYS A 32 15.186 -5.844 1.867 1.00 0.00 H new ATOM 538 N GLU A 37 16.316 -5.350 5.261 1.00 0.00 N ATOM 539 CA GLU A 37 17.346 -4.979 4.313 1.00 0.00 C ATOM 540 C GLU A 37 16.914 -3.746 3.531 1.00 0.00 C ATOM 541 O GLU A 37 15.762 -3.325 3.617 1.00 0.00 O ATOM 542 CB GLU A 37 17.616 -6.149 3.371 1.00 0.00 C ATOM 543 CG GLU A 37 19.095 -6.173 3.000 1.00 0.00 C ATOM 544 CD GLU A 37 19.592 -7.602 2.836 1.00 0.00 C ATOM 545 OE1 GLU A 37 19.080 -8.278 1.918 1.00 0.00 O ATOM 546 OE2 GLU A 37 20.473 -7.991 3.632 1.00 0.00 O ATOM 0 HA GLU A 37 18.265 -4.740 4.848 1.00 0.00 H new ATOM 0 HB2 GLU A 37 17.335 -7.087 3.850 1.00 0.00 H new ATOM 0 HB3 GLU A 37 17.006 -6.054 2.472 1.00 0.00 H new ATOM 0 HG2 GLU A 37 19.250 -5.621 2.073 1.00 0.00 H new ATOM 0 HG3 GLU A 37 19.676 -5.668 3.772 1.00 0.00 H new ATOM 553 N VAL A 38 17.842 -3.168 2.765 1.00 0.00 N ATOM 554 CA VAL A 38 17.555 -1.990 1.972 1.00 0.00 C ATOM 555 C VAL A 38 18.307 -2.064 0.650 1.00 0.00 C ATOM 556 O VAL A 38 19.144 -2.942 0.458 1.00 0.00 O ATOM 557 CB VAL A 38 17.955 -0.742 2.753 1.00 0.00 C ATOM 558 CG1 VAL A 38 16.916 -0.465 3.836 1.00 0.00 C ATOM 559 CG2 VAL A 38 19.319 -0.963 3.400 1.00 0.00 C ATOM 0 H VAL A 38 18.801 -3.505 2.683 1.00 0.00 H new ATOM 0 HA VAL A 38 16.487 -1.941 1.758 1.00 0.00 H new ATOM 0 HB VAL A 38 18.008 0.110 2.075 1.00 0.00 H new ATOM 0 HG11 VAL A 38 17.201 0.427 4.394 1.00 0.00 H new ATOM 0 HG12 VAL A 38 15.942 -0.307 3.374 1.00 0.00 H new ATOM 0 HG13 VAL A 38 16.862 -1.316 4.515 1.00 0.00 H new ATOM 0 HG21 VAL A 38 19.606 -0.072 3.958 1.00 0.00 H new ATOM 0 HG22 VAL A 38 19.266 -1.815 4.078 1.00 0.00 H new ATOM 0 HG23 VAL A 38 20.061 -1.161 2.626 1.00 0.00 H new ATOM 569 N CYS A 39 18.005 -1.136 -0.261 1.00 0.00 N ATOM 570 CA CYS A 39 18.652 -1.099 -1.558 1.00 0.00 C ATOM 571 C CYS A 39 19.924 -0.267 -1.475 1.00 0.00 C ATOM 572 O CYS A 39 19.883 0.893 -1.070 1.00 0.00 O ATOM 573 CB CYS A 39 17.690 -0.517 -2.589 1.00 0.00 C ATOM 574 SG CYS A 39 15.945 -0.657 -2.128 1.00 0.00 S ATOM 0 H CYS A 39 17.313 -0.401 -0.116 1.00 0.00 H new ATOM 0 HA CYS A 39 18.922 -2.110 -1.864 1.00 0.00 H new ATOM 0 HB2 CYS A 39 17.931 0.535 -2.743 1.00 0.00 H new ATOM 0 HB3 CYS A 39 17.845 -1.023 -3.542 1.00 0.00 H new ATOM 579 N ALA A 40 21.055 -0.862 -1.860 1.00 0.00 N ATOM 580 CA ALA A 40 22.331 -0.175 -1.826 1.00 0.00 C ATOM 581 C ALA A 40 23.044 -0.347 -3.159 1.00 0.00 C ATOM 582 O ALA A 40 23.223 -1.467 -3.630 1.00 0.00 O ATOM 583 CB ALA A 40 23.177 -0.731 -0.684 1.00 0.00 C ATOM 0 H ALA A 40 21.104 -1.823 -2.199 1.00 0.00 H new ATOM 0 HA ALA A 40 22.171 0.890 -1.657 1.00 0.00 H new ATOM 0 HB1 ALA A 40 24.137 -0.215 -0.658 1.00 0.00 H new ATOM 0 HB2 ALA A 40 22.657 -0.579 0.262 1.00 0.00 H new ATOM 0 HB3 ALA A 40 23.342 -1.797 -0.839 1.00 0.00 H new ATOM 589 N ALA A 41 23.452 0.769 -3.768 1.00 0.00 N ATOM 590 CA ALA A 41 24.142 0.737 -5.042 1.00 0.00 C ATOM 591 C ALA A 41 25.446 1.515 -4.942 1.00 0.00 C ATOM 592 O ALA A 41 25.441 2.700 -4.619 1.00 0.00 O ATOM 593 CB ALA A 41 23.240 1.329 -6.122 1.00 0.00 C ATOM 0 H ALA A 41 23.311 1.706 -3.390 1.00 0.00 H new ATOM 0 HA ALA A 41 24.377 -0.294 -5.308 1.00 0.00 H new ATOM 0 HB1 ALA A 41 23.757 1.306 -7.081 1.00 0.00 H new ATOM 0 HB2 ALA A 41 22.322 0.745 -6.190 1.00 0.00 H new ATOM 0 HB3 ALA A 41 22.995 2.360 -5.867 1.00 0.00 H new ATOM 599 N VAL A 42 26.565 0.843 -5.220 1.00 0.00 N ATOM 600 CA VAL A 42 27.870 1.472 -5.159 1.00 0.00 C ATOM 601 C VAL A 42 28.502 1.477 -6.544 1.00 0.00 C ATOM 602 O VAL A 42 28.824 0.423 -7.088 1.00 0.00 O ATOM 603 CB VAL A 42 28.750 0.721 -4.165 1.00 0.00 C ATOM 604 CG1 VAL A 42 28.504 -0.780 -4.299 1.00 0.00 C ATOM 605 CG2 VAL A 42 30.217 1.023 -4.457 1.00 0.00 C ATOM 0 H VAL A 42 26.585 -0.140 -5.490 1.00 0.00 H new ATOM 0 HA VAL A 42 27.767 2.504 -4.823 1.00 0.00 H new ATOM 0 HB VAL A 42 28.507 1.040 -3.151 1.00 0.00 H new ATOM 0 HG11 VAL A 42 29.133 -1.317 -3.589 1.00 0.00 H new ATOM 0 HG12 VAL A 42 27.456 -0.997 -4.092 1.00 0.00 H new ATOM 0 HG13 VAL A 42 28.747 -1.100 -5.312 1.00 0.00 H new ATOM 0 HG21 VAL A 42 30.847 0.487 -3.747 1.00 0.00 H new ATOM 0 HG22 VAL A 42 30.459 0.704 -5.471 1.00 0.00 H new ATOM 0 HG23 VAL A 42 30.394 2.094 -4.362 1.00 0.00 H new ATOM 615 N TRP A 43 28.682 2.671 -7.115 1.00 0.00 N ATOM 616 CA TRP A 43 29.277 2.804 -8.430 1.00 0.00 C ATOM 617 C TRP A 43 30.709 3.305 -8.303 1.00 0.00 C ATOM 618 O TRP A 43 30.951 4.363 -7.729 1.00 0.00 O ATOM 619 CB TRP A 43 28.441 3.764 -9.270 1.00 0.00 C ATOM 620 CG TRP A 43 29.074 4.192 -10.555 1.00 0.00 C ATOM 621 CD1 TRP A 43 28.817 3.656 -11.768 1.00 0.00 C ATOM 622 CD2 TRP A 43 30.070 5.236 -10.784 1.00 0.00 C ATOM 623 NE1 TRP A 43 29.579 4.292 -12.726 1.00 0.00 N ATOM 624 CE2 TRP A 43 30.372 5.276 -12.172 1.00 0.00 C ATOM 625 CE3 TRP A 43 30.748 6.151 -9.960 1.00 0.00 C ATOM 626 CZ2 TRP A 43 31.296 6.175 -12.714 1.00 0.00 C ATOM 627 CZ3 TRP A 43 31.676 7.057 -10.494 1.00 0.00 C ATOM 628 CH2 TRP A 43 31.952 7.072 -11.867 1.00 0.00 C ATOM 0 H TRP A 43 28.421 3.556 -6.679 1.00 0.00 H new ATOM 0 HA TRP A 43 29.297 1.832 -8.923 1.00 0.00 H new ATOM 0 HB2 TRP A 43 27.485 3.290 -9.493 1.00 0.00 H new ATOM 0 HB3 TRP A 43 28.226 4.651 -8.675 1.00 0.00 H new ATOM 0 HD1 TRP A 43 28.121 2.852 -11.959 1.00 0.00 H new ATOM 0 HE1 TRP A 43 29.559 4.063 -13.720 1.00 0.00 H new ATOM 0 HE3 TRP A 43 30.551 6.156 -8.898 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 31.500 6.176 -13.775 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 32.183 7.750 -9.839 1.00 0.00 H new ATOM 0 HH2 TRP A 43 32.668 7.773 -12.269 1.00 0.00 H new ATOM 639 N ARG A 44 31.658 2.536 -8.841 1.00 0.00 N ATOM 640 CA ARG A 44 33.060 2.902 -8.787 1.00 0.00 C ATOM 641 C ARG A 44 33.587 3.140 -10.195 1.00 0.00 C ATOM 642 O ARG A 44 33.047 2.602 -11.160 1.00 0.00 O ATOM 643 CB ARG A 44 33.847 1.791 -8.095 1.00 0.00 C ATOM 644 CG ARG A 44 32.928 1.034 -7.142 1.00 0.00 C ATOM 645 CD ARG A 44 32.518 -0.292 -7.777 1.00 0.00 C ATOM 646 NE ARG A 44 32.461 -1.358 -6.775 1.00 0.00 N ATOM 647 CZ ARG A 44 33.305 -2.397 -6.772 1.00 0.00 C ATOM 648 NH1 ARG A 44 34.254 -2.492 -7.714 1.00 0.00 N ATOM 649 NH2 ARG A 44 33.201 -3.343 -5.828 1.00 0.00 N ATOM 0 H ARG A 44 31.472 1.654 -9.319 1.00 0.00 H new ATOM 0 HA ARG A 44 33.178 3.824 -8.217 1.00 0.00 H new ATOM 0 HB2 ARG A 44 34.261 1.108 -8.837 1.00 0.00 H new ATOM 0 HB3 ARG A 44 34.688 2.214 -7.546 1.00 0.00 H new ATOM 0 HG2 ARG A 44 33.437 0.854 -6.195 1.00 0.00 H new ATOM 0 HG3 ARG A 44 32.044 1.632 -6.920 1.00 0.00 H new ATOM 0 HD2 ARG A 44 31.544 -0.185 -8.255 1.00 0.00 H new ATOM 0 HD3 ARG A 44 33.229 -0.560 -8.559 1.00 0.00 H new ATOM 0 HE ARG A 44 31.747 -1.307 -6.048 1.00 0.00 H new ATOM 0 HH11 ARG A 44 34.333 -1.773 -8.433 1.00 0.00 H new ATOM 0 HH12 ARG A 44 34.897 -3.284 -7.712 1.00 0.00 H new ATOM 0 HH21 ARG A 44 32.479 -3.271 -5.112 1.00 0.00 H new ATOM 0 HH22 ARG A 44 33.844 -4.135 -5.826 1.00 0.00 H new ATOM 663 N ARG A 45 34.643 3.948 -10.309 1.00 0.00 N ATOM 664 CA ARG A 45 35.236 4.253 -11.596 1.00 0.00 C ATOM 665 C ARG A 45 36.751 4.316 -11.463 1.00 0.00 C ATOM 666 O ARG A 45 37.287 5.251 -10.874 1.00 0.00 O ATOM 667 CB ARG A 45 34.683 5.580 -12.108 1.00 0.00 C ATOM 668 CG ARG A 45 34.949 6.673 -11.077 1.00 0.00 C ATOM 669 CD ARG A 45 35.872 7.727 -11.680 1.00 0.00 C ATOM 670 NE ARG A 45 36.937 7.106 -12.467 1.00 0.00 N ATOM 671 CZ ARG A 45 37.824 7.815 -13.177 1.00 0.00 C ATOM 672 NH1 ARG A 45 37.758 9.153 -13.187 1.00 0.00 N ATOM 673 NH2 ARG A 45 38.777 7.186 -13.879 1.00 0.00 N ATOM 0 H ARG A 45 35.101 4.400 -9.518 1.00 0.00 H new ATOM 0 HA ARG A 45 34.986 3.470 -12.311 1.00 0.00 H new ATOM 0 HB2 ARG A 45 35.151 5.839 -13.058 1.00 0.00 H new ATOM 0 HB3 ARG A 45 33.612 5.493 -12.294 1.00 0.00 H new ATOM 0 HG2 ARG A 45 34.010 7.131 -10.767 1.00 0.00 H new ATOM 0 HG3 ARG A 45 35.404 6.243 -10.185 1.00 0.00 H new ATOM 0 HD2 ARG A 45 35.295 8.402 -12.312 1.00 0.00 H new ATOM 0 HD3 ARG A 45 36.308 8.331 -10.884 1.00 0.00 H new ATOM 0 HE ARG A 45 37.007 6.088 -12.475 1.00 0.00 H new ATOM 0 HH11 ARG A 45 37.032 9.632 -12.654 1.00 0.00 H new ATOM 0 HH12 ARG A 45 38.434 9.693 -13.728 1.00 0.00 H new ATOM 0 HH21 ARG A 45 38.827 6.167 -13.873 1.00 0.00 H new ATOM 0 HH22 ARG A 45 39.452 7.726 -14.420 1.00 0.00 H new ATOM 687 N ASN A 46 37.441 3.315 -12.016 1.00 0.00 N ATOM 688 CA ASN A 46 38.888 3.263 -11.957 1.00 0.00 C ATOM 689 C ASN A 46 39.473 3.523 -13.338 1.00 0.00 C ATOM 690 O ASN A 46 39.057 2.909 -14.319 1.00 0.00 O ATOM 691 CB ASN A 46 39.326 1.898 -11.433 1.00 0.00 C ATOM 692 CG ASN A 46 38.681 0.777 -12.235 1.00 0.00 C ATOM 693 OD1 ASN A 46 37.790 0.091 -11.739 1.00 0.00 O ATOM 694 ND2 ASN A 46 39.133 0.593 -13.477 1.00 0.00 N ATOM 0 H ASN A 46 37.011 2.532 -12.509 1.00 0.00 H new ATOM 0 HA ASN A 46 39.255 4.034 -11.279 1.00 0.00 H new ATOM 0 HB2 ASN A 46 40.411 1.813 -11.489 1.00 0.00 H new ATOM 0 HB3 ASN A 46 39.053 1.803 -10.382 1.00 0.00 H new ATOM 0 HD21 ASN A 46 38.736 -0.144 -14.060 1.00 0.00 H new ATOM 0 HD22 ASN A 46 39.875 1.189 -13.843 1.00 0.00 H new ATOM 701 N ASP A 47 40.443 4.438 -13.412 1.00 0.00 N ATOM 702 CA ASP A 47 41.080 4.777 -14.669 1.00 0.00 C ATOM 703 C ASP A 47 40.031 4.874 -15.768 1.00 0.00 C ATOM 704 O ASP A 47 39.366 5.898 -15.904 1.00 0.00 O ATOM 705 CB ASP A 47 42.124 3.717 -15.010 1.00 0.00 C ATOM 706 CG ASP A 47 43.201 3.649 -13.937 1.00 0.00 C ATOM 707 OD1 ASP A 47 44.118 4.496 -13.999 1.00 0.00 O ATOM 708 OD2 ASP A 47 43.087 2.752 -13.074 1.00 0.00 O ATOM 0 H ASP A 47 40.799 4.954 -12.608 1.00 0.00 H new ATOM 0 HA ASP A 47 41.577 5.743 -14.582 1.00 0.00 H new ATOM 0 HB2 ASP A 47 41.642 2.745 -15.109 1.00 0.00 H new ATOM 0 HB3 ASP A 47 42.579 3.946 -15.974 1.00 0.00 H new ATOM 713 N GLU A 48 39.885 3.805 -16.554 1.00 0.00 N ATOM 714 CA GLU A 48 38.919 3.778 -17.633 1.00 0.00 C ATOM 715 C GLU A 48 38.005 2.570 -17.483 1.00 0.00 C ATOM 716 O GLU A 48 37.373 2.142 -18.446 1.00 0.00 O ATOM 717 CB GLU A 48 39.653 3.738 -18.970 1.00 0.00 C ATOM 718 CG GLU A 48 40.694 4.853 -19.013 1.00 0.00 C ATOM 719 CD GLU A 48 41.087 5.175 -20.447 1.00 0.00 C ATOM 720 OE1 GLU A 48 40.172 5.527 -21.221 1.00 0.00 O ATOM 721 OE2 GLU A 48 42.297 5.064 -20.743 1.00 0.00 O ATOM 0 H GLU A 48 40.430 2.948 -16.456 1.00 0.00 H new ATOM 0 HA GLU A 48 38.304 4.677 -17.596 1.00 0.00 H new ATOM 0 HB2 GLU A 48 40.136 2.770 -19.103 1.00 0.00 H new ATOM 0 HB3 GLU A 48 38.944 3.856 -19.790 1.00 0.00 H new ATOM 0 HG2 GLU A 48 40.296 5.746 -18.532 1.00 0.00 H new ATOM 0 HG3 GLU A 48 41.577 4.553 -18.448 1.00 0.00 H new ATOM 728 N ASN A 49 37.936 2.022 -16.267 1.00 0.00 N ATOM 729 CA ASN A 49 37.100 0.869 -15.998 1.00 0.00 C ATOM 730 C ASN A 49 36.142 1.179 -14.857 1.00 0.00 C ATOM 731 O ASN A 49 36.511 1.087 -13.688 1.00 0.00 O ATOM 732 CB ASN A 49 37.983 -0.327 -15.653 1.00 0.00 C ATOM 733 CG ASN A 49 37.909 -1.389 -16.739 1.00 0.00 C ATOM 734 OD1 ASN A 49 36.895 -2.071 -16.875 1.00 0.00 O ATOM 735 ND2 ASN A 49 38.985 -1.527 -17.517 1.00 0.00 N ATOM 0 H ASN A 49 38.453 2.365 -15.458 1.00 0.00 H new ATOM 0 HA ASN A 49 36.511 0.628 -16.883 1.00 0.00 H new ATOM 0 HB2 ASN A 49 39.015 0.002 -15.530 1.00 0.00 H new ATOM 0 HB3 ASN A 49 37.669 -0.753 -14.700 1.00 0.00 H new ATOM 0 HD21 ASN A 49 38.989 -2.222 -18.263 1.00 0.00 H new ATOM 0 HD22 ASN A 49 39.803 -0.937 -17.365 1.00 0.00 H new ATOM 742 N VAL A 50 34.905 1.546 -15.201 1.00 0.00 N ATOM 743 CA VAL A 50 33.899 1.867 -14.208 1.00 0.00 C ATOM 744 C VAL A 50 33.015 0.652 -13.960 1.00 0.00 C ATOM 745 O VAL A 50 32.514 0.043 -14.902 1.00 0.00 O ATOM 746 CB VAL A 50 33.068 3.052 -14.692 1.00 0.00 C ATOM 747 CG1 VAL A 50 32.028 3.409 -13.634 1.00 0.00 C ATOM 748 CG2 VAL A 50 33.982 4.250 -14.932 1.00 0.00 C ATOM 0 H VAL A 50 34.584 1.626 -16.166 1.00 0.00 H new ATOM 0 HA VAL A 50 34.381 2.139 -13.269 1.00 0.00 H new ATOM 0 HB VAL A 50 32.565 2.788 -15.622 1.00 0.00 H new ATOM 0 HG11 VAL A 50 31.434 4.255 -13.979 1.00 0.00 H new ATOM 0 HG12 VAL A 50 31.375 2.553 -13.462 1.00 0.00 H new ATOM 0 HG13 VAL A 50 32.531 3.674 -12.704 1.00 0.00 H new ATOM 0 HG21 VAL A 50 33.389 5.097 -15.278 1.00 0.00 H new ATOM 0 HG22 VAL A 50 34.486 4.515 -14.003 1.00 0.00 H new ATOM 0 HG23 VAL A 50 34.725 3.995 -15.687 1.00 0.00 H new ATOM 758 N THR A 51 32.824 0.301 -12.686 1.00 0.00 N ATOM 759 CA THR A 51 32.001 -0.835 -12.325 1.00 0.00 C ATOM 760 C THR A 51 30.934 -0.407 -11.329 1.00 0.00 C ATOM 761 O THR A 51 31.211 0.351 -10.402 1.00 0.00 O ATOM 762 CB THR A 51 32.883 -1.933 -11.736 1.00 0.00 C ATOM 763 OG1 THR A 51 32.943 -1.785 -10.334 1.00 0.00 O ATOM 764 CG2 THR A 51 34.288 -1.825 -12.319 1.00 0.00 C ATOM 0 H THR A 51 33.233 0.794 -11.892 1.00 0.00 H new ATOM 0 HA THR A 51 31.502 -1.224 -13.213 1.00 0.00 H new ATOM 0 HB THR A 51 32.462 -2.908 -11.982 1.00 0.00 H new ATOM 0 HG1 THR A 51 33.605 -2.407 -9.967 1.00 0.00 H new ATOM 0 HG21 THR A 51 34.918 -2.609 -11.898 1.00 0.00 H new ATOM 0 HG22 THR A 51 34.242 -1.938 -13.402 1.00 0.00 H new ATOM 0 HG23 THR A 51 34.710 -0.850 -12.074 1.00 0.00 H new ATOM 772 N LEU A 52 29.707 -0.897 -11.521 1.00 0.00 N ATOM 773 CA LEU A 52 28.604 -0.567 -10.642 1.00 0.00 C ATOM 774 C LEU A 52 28.061 -1.834 -9.995 1.00 0.00 C ATOM 775 O LEU A 52 27.840 -2.835 -10.673 1.00 0.00 O ATOM 776 CB LEU A 52 27.514 0.143 -11.440 1.00 0.00 C ATOM 777 CG LEU A 52 26.640 0.960 -10.492 1.00 0.00 C ATOM 778 CD1 LEU A 52 25.969 2.091 -11.266 1.00 0.00 C ATOM 779 CD2 LEU A 52 25.572 0.059 -9.879 1.00 0.00 C ATOM 0 H LEU A 52 29.461 -1.527 -12.285 1.00 0.00 H new ATOM 0 HA LEU A 52 28.951 0.099 -9.852 1.00 0.00 H new ATOM 0 HB2 LEU A 52 27.963 0.794 -12.190 1.00 0.00 H new ATOM 0 HB3 LEU A 52 26.906 -0.587 -11.975 1.00 0.00 H new ATOM 0 HG LEU A 52 27.259 1.380 -9.699 1.00 0.00 H new ATOM 0 HD11 LEU A 52 25.345 2.675 -10.589 1.00 0.00 H new ATOM 0 HD12 LEU A 52 26.732 2.736 -11.703 1.00 0.00 H new ATOM 0 HD13 LEU A 52 25.350 1.672 -12.060 1.00 0.00 H new ATOM 0 HD21 LEU A 52 24.948 0.643 -9.202 1.00 0.00 H new ATOM 0 HD22 LEU A 52 24.953 -0.362 -10.671 1.00 0.00 H new ATOM 0 HD23 LEU A 52 26.051 -0.748 -9.325 1.00 0.00 H new ATOM 791 N GLU A 53 27.846 -1.788 -8.678 1.00 0.00 N ATOM 792 CA GLU A 53 27.329 -2.929 -7.950 1.00 0.00 C ATOM 793 C GLU A 53 25.988 -2.580 -7.321 1.00 0.00 C ATOM 794 O GLU A 53 25.803 -1.476 -6.815 1.00 0.00 O ATOM 795 CB GLU A 53 28.336 -3.346 -6.882 1.00 0.00 C ATOM 796 CG GLU A 53 28.312 -4.864 -6.725 1.00 0.00 C ATOM 797 CD GLU A 53 28.963 -5.285 -5.415 1.00 0.00 C ATOM 798 OE1 GLU A 53 29.057 -4.415 -4.522 1.00 0.00 O ATOM 799 OE2 GLU A 53 29.356 -6.468 -5.332 1.00 0.00 O ATOM 0 H GLU A 53 28.025 -0.966 -8.101 1.00 0.00 H new ATOM 0 HA GLU A 53 27.177 -3.763 -8.635 1.00 0.00 H new ATOM 0 HB2 GLU A 53 29.336 -3.014 -7.161 1.00 0.00 H new ATOM 0 HB3 GLU A 53 28.095 -2.868 -5.933 1.00 0.00 H new ATOM 0 HG2 GLU A 53 27.282 -5.220 -6.755 1.00 0.00 H new ATOM 0 HG3 GLU A 53 28.835 -5.328 -7.561 1.00 0.00 H new ATOM 806 N THR A 54 25.050 -3.529 -7.352 1.00 0.00 N ATOM 807 CA THR A 54 23.734 -3.318 -6.784 1.00 0.00 C ATOM 808 C THR A 54 23.303 -4.549 -6.001 1.00 0.00 C ATOM 809 O THR A 54 23.328 -5.662 -6.523 1.00 0.00 O ATOM 810 CB THR A 54 22.742 -3.015 -7.903 1.00 0.00 C ATOM 811 OG1 THR A 54 23.097 -3.742 -9.058 1.00 0.00 O ATOM 812 CG2 THR A 54 22.769 -1.520 -8.215 1.00 0.00 C ATOM 0 H THR A 54 25.186 -4.451 -7.768 1.00 0.00 H new ATOM 0 HA THR A 54 23.762 -2.470 -6.099 1.00 0.00 H new ATOM 0 HB THR A 54 21.740 -3.303 -7.587 1.00 0.00 H new ATOM 0 HG1 THR A 54 22.465 -3.540 -9.779 1.00 0.00 H new ATOM 0 HG21 THR A 54 22.061 -1.302 -9.014 1.00 0.00 H new ATOM 0 HG22 THR A 54 22.494 -0.957 -7.323 1.00 0.00 H new ATOM 0 HG23 THR A 54 23.772 -1.232 -8.531 1.00 0.00 H new ATOM 820 N ILE A 55 22.905 -4.346 -4.743 1.00 0.00 N ATOM 821 CA ILE A 55 22.469 -5.435 -3.892 1.00 0.00 C ATOM 822 C ILE A 55 21.750 -4.878 -2.671 1.00 0.00 C ATOM 823 O ILE A 55 21.830 -3.683 -2.394 1.00 0.00 O ATOM 824 CB ILE A 55 23.675 -6.271 -3.476 1.00 0.00 C ATOM 825 CG1 ILE A 55 24.895 -5.366 -3.326 1.00 0.00 C ATOM 826 CG2 ILE A 55 23.955 -7.326 -4.542 1.00 0.00 C ATOM 827 CD1 ILE A 55 24.771 -4.557 -2.037 1.00 0.00 C ATOM 0 H ILE A 55 22.879 -3.429 -4.297 1.00 0.00 H new ATOM 0 HA ILE A 55 21.775 -6.073 -4.439 1.00 0.00 H new ATOM 0 HB ILE A 55 23.466 -6.761 -2.525 1.00 0.00 H new ATOM 0 HG12 ILE A 55 25.806 -5.965 -3.306 1.00 0.00 H new ATOM 0 HG13 ILE A 55 24.972 -4.696 -4.183 1.00 0.00 H new ATOM 0 HG21 ILE A 55 24.817 -7.924 -4.245 1.00 0.00 H new ATOM 0 HG22 ILE A 55 23.085 -7.973 -4.651 1.00 0.00 H new ATOM 0 HG23 ILE A 55 24.164 -6.836 -5.493 1.00 0.00 H new ATOM 0 HD11 ILE A 55 25.642 -3.910 -1.928 1.00 0.00 H new ATOM 0 HD12 ILE A 55 23.868 -3.947 -2.076 1.00 0.00 H new ATOM 0 HD13 ILE A 55 24.715 -5.235 -1.186 1.00 0.00 H new ATOM 839 N CYS A 56 21.047 -5.747 -1.940 1.00 0.00 N ATOM 840 CA CYS A 56 20.321 -5.340 -0.756 1.00 0.00 C ATOM 841 C CYS A 56 21.259 -5.321 0.443 1.00 0.00 C ATOM 842 O CYS A 56 21.225 -6.225 1.275 1.00 0.00 O ATOM 843 CB CYS A 56 19.158 -6.298 -0.517 1.00 0.00 C ATOM 844 SG CYS A 56 17.667 -5.501 0.129 1.00 0.00 S ATOM 0 H CYS A 56 20.971 -6.741 -2.157 1.00 0.00 H new ATOM 0 HA CYS A 56 19.923 -4.335 -0.897 1.00 0.00 H new ATOM 0 HB2 CYS A 56 18.913 -6.797 -1.455 1.00 0.00 H new ATOM 0 HB3 CYS A 56 19.476 -7.071 0.182 1.00 0.00 H new ATOM 849 N HIS A 57 22.099 -4.287 0.530 1.00 0.00 N ATOM 850 CA HIS A 57 23.041 -4.161 1.625 1.00 0.00 C ATOM 851 C HIS A 57 22.510 -3.173 2.655 1.00 0.00 C ATOM 852 O HIS A 57 21.734 -2.281 2.324 1.00 0.00 O ATOM 853 CB HIS A 57 24.391 -3.701 1.081 1.00 0.00 C ATOM 854 CG HIS A 57 25.344 -3.288 2.169 1.00 0.00 C ATOM 855 ND1 HIS A 57 26.160 -4.126 2.894 1.00 0.00 N ATOM 856 CD2 HIS A 57 25.554 -2.012 2.616 1.00 0.00 C ATOM 857 CE1 HIS A 57 26.849 -3.362 3.761 1.00 0.00 C ATOM 858 NE2 HIS A 57 26.515 -2.067 3.631 1.00 0.00 N ATOM 0 H HIS A 57 22.140 -3.528 -0.150 1.00 0.00 H new ATOM 0 HA HIS A 57 23.169 -5.128 2.112 1.00 0.00 H new ATOM 0 HB2 HIS A 57 24.838 -4.507 0.499 1.00 0.00 H new ATOM 0 HB3 HIS A 57 24.238 -2.864 0.400 1.00 0.00 H new ATOM 0 HD2 HIS A 57 25.065 -1.121 2.250 1.00 0.00 H new ATOM 0 HE1 HIS A 57 27.574 -3.739 4.467 1.00 0.00 H new ATOM 0 HE2 HIS A 57 26.887 -1.282 4.165 1.00 0.00 H new ATOM 866 N ASP A 58 22.934 -3.337 3.911 1.00 0.00 N ATOM 867 CA ASP A 58 22.500 -2.464 4.983 1.00 0.00 C ATOM 868 C ASP A 58 23.475 -1.304 5.128 1.00 0.00 C ATOM 869 O ASP A 58 24.686 -1.509 5.158 1.00 0.00 O ATOM 870 CB ASP A 58 22.411 -3.261 6.282 1.00 0.00 C ATOM 871 CG ASP A 58 20.962 -3.584 6.621 1.00 0.00 C ATOM 872 OD1 ASP A 58 20.306 -2.700 7.213 1.00 0.00 O ATOM 873 OD2 ASP A 58 20.539 -4.710 6.282 1.00 0.00 O ATOM 0 H ASP A 58 23.579 -4.071 4.202 1.00 0.00 H new ATOM 0 HA ASP A 58 21.515 -2.059 4.752 1.00 0.00 H new ATOM 0 HB2 ASP A 58 22.981 -4.185 6.187 1.00 0.00 H new ATOM 0 HB3 ASP A 58 22.861 -2.691 7.095 1.00 0.00 H new ATOM 878 N PRO A 59 22.944 -0.082 5.217 1.00 0.00 N ATOM 879 CA PRO A 59 23.715 1.134 5.361 1.00 0.00 C ATOM 880 C PRO A 59 24.297 1.207 6.765 1.00 0.00 C ATOM 881 O PRO A 59 24.630 2.288 7.245 1.00 0.00 O ATOM 882 CB PRO A 59 22.713 2.262 5.123 1.00 0.00 C ATOM 883 CG PRO A 59 21.398 1.656 5.612 1.00 0.00 C ATOM 884 CD PRO A 59 21.525 0.195 5.185 1.00 0.00 C ATOM 0 HA PRO A 59 24.554 1.190 4.667 1.00 0.00 H new ATOM 0 HB2 PRO A 59 22.976 3.161 5.681 1.00 0.00 H new ATOM 0 HB3 PRO A 59 22.662 2.543 4.071 1.00 0.00 H new ATOM 0 HG2 PRO A 59 21.283 1.754 6.691 1.00 0.00 H new ATOM 0 HG3 PRO A 59 20.534 2.138 5.154 1.00 0.00 H new ATOM 0 HD2 PRO A 59 20.979 -0.463 5.861 1.00 0.00 H new ATOM 0 HD3 PRO A 59 21.115 0.038 4.187 1.00 0.00 H new ATOM 892 N GLN A 60 24.417 0.052 7.424 1.00 0.00 N ATOM 893 CA GLN A 60 24.955 -0.008 8.768 1.00 0.00 C ATOM 894 C GLN A 60 26.411 -0.448 8.724 1.00 0.00 C ATOM 895 O GLN A 60 27.247 0.088 9.448 1.00 0.00 O ATOM 896 CB GLN A 60 24.122 -0.976 9.604 1.00 0.00 C ATOM 897 CG GLN A 60 24.305 -2.394 9.071 1.00 0.00 C ATOM 898 CD GLN A 60 23.067 -3.238 9.340 1.00 0.00 C ATOM 899 OE1 GLN A 60 22.933 -4.336 8.804 1.00 0.00 O ATOM 900 NE2 GLN A 60 22.158 -2.722 10.171 1.00 0.00 N ATOM 0 H GLN A 60 24.145 -0.853 7.039 1.00 0.00 H new ATOM 0 HA GLN A 60 24.910 0.980 9.226 1.00 0.00 H new ATOM 0 HB2 GLN A 60 24.427 -0.926 10.649 1.00 0.00 H new ATOM 0 HB3 GLN A 60 23.070 -0.694 9.566 1.00 0.00 H new ATOM 0 HG2 GLN A 60 24.502 -2.362 8.000 1.00 0.00 H new ATOM 0 HG3 GLN A 60 25.174 -2.855 9.541 1.00 0.00 H new ATOM 0 HE21 GLN A 60 22.314 -1.806 10.592 1.00 0.00 H new ATOM 0 HE22 GLN A 60 21.308 -3.244 10.385 1.00 0.00 H new ATOM 909 N LYS A 61 26.713 -1.428 7.869 1.00 0.00 N ATOM 910 CA LYS A 61 28.065 -1.933 7.735 1.00 0.00 C ATOM 911 C LYS A 61 28.847 -1.066 6.758 1.00 0.00 C ATOM 912 O LYS A 61 28.260 -0.341 5.958 1.00 0.00 O ATOM 913 CB LYS A 61 28.020 -3.382 7.255 1.00 0.00 C ATOM 914 CG LYS A 61 27.125 -4.196 8.184 1.00 0.00 C ATOM 915 CD LYS A 61 27.885 -5.424 8.676 1.00 0.00 C ATOM 916 CE LYS A 61 27.595 -6.605 7.753 1.00 0.00 C ATOM 917 NZ LYS A 61 28.227 -7.835 8.255 1.00 0.00 N ATOM 0 H LYS A 61 26.032 -1.883 7.261 1.00 0.00 H new ATOM 0 HA LYS A 61 28.567 -1.898 8.702 1.00 0.00 H new ATOM 0 HB2 LYS A 61 27.640 -3.427 6.234 1.00 0.00 H new ATOM 0 HB3 LYS A 61 29.025 -3.803 7.240 1.00 0.00 H new ATOM 0 HG2 LYS A 61 26.811 -3.586 9.031 1.00 0.00 H new ATOM 0 HG3 LYS A 61 26.220 -4.502 7.659 1.00 0.00 H new ATOM 0 HD2 LYS A 61 28.955 -5.219 8.696 1.00 0.00 H new ATOM 0 HD3 LYS A 61 27.587 -5.665 9.697 1.00 0.00 H new ATOM 0 HE2 LYS A 61 26.518 -6.752 7.673 1.00 0.00 H new ATOM 0 HE3 LYS A 61 27.963 -6.386 6.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 28.015 -8.623 7.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 29.257 -7.699 8.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 27.857 -8.054 9.202 1.00 0.00 H new ATOM 931 N ARG A 62 30.178 -1.144 6.824 1.00 0.00 N ATOM 932 CA ARG A 62 31.034 -0.369 5.950 1.00 0.00 C ATOM 933 C ARG A 62 31.328 -1.158 4.683 1.00 0.00 C ATOM 934 O ARG A 62 31.852 -2.269 4.749 1.00 0.00 O ATOM 935 CB ARG A 62 32.327 -0.021 6.683 1.00 0.00 C ATOM 936 CG ARG A 62 32.145 1.289 7.444 1.00 0.00 C ATOM 937 CD ARG A 62 30.887 1.207 8.305 1.00 0.00 C ATOM 938 NE ARG A 62 31.079 1.894 9.582 1.00 0.00 N ATOM 939 CZ ARG A 62 30.062 2.218 10.392 1.00 0.00 C ATOM 940 NH1 ARG A 62 28.805 1.910 10.046 1.00 0.00 N ATOM 941 NH2 ARG A 62 30.302 2.849 11.550 1.00 0.00 N ATOM 0 H ARG A 62 30.680 -1.742 7.480 1.00 0.00 H new ATOM 0 HA ARG A 62 30.531 0.556 5.669 1.00 0.00 H new ATOM 0 HB2 ARG A 62 32.592 -0.821 7.374 1.00 0.00 H new ATOM 0 HB3 ARG A 62 33.147 0.071 5.971 1.00 0.00 H new ATOM 0 HG2 ARG A 62 33.016 1.482 8.071 1.00 0.00 H new ATOM 0 HG3 ARG A 62 32.066 2.121 6.744 1.00 0.00 H new ATOM 0 HD2 ARG A 62 30.047 1.652 7.771 1.00 0.00 H new ATOM 0 HD3 ARG A 62 30.633 0.162 8.485 1.00 0.00 H new ATOM 0 HE ARG A 62 32.027 2.137 9.868 1.00 0.00 H new ATOM 0 HH11 ARG A 62 28.622 1.429 9.166 1.00 0.00 H new ATOM 0 HH12 ARG A 62 28.031 2.157 10.663 1.00 0.00 H new ATOM 0 HH21 ARG A 62 31.259 3.083 11.815 1.00 0.00 H new ATOM 0 HH22 ARG A 62 29.528 3.096 12.166 1.00 0.00 H new ATOM 955 N LEU A 63 30.991 -0.583 3.526 1.00 0.00 N ATOM 956 CA LEU A 63 31.220 -1.234 2.253 1.00 0.00 C ATOM 957 C LEU A 63 32.462 -0.654 1.593 1.00 0.00 C ATOM 958 O LEU A 63 32.589 0.562 1.462 1.00 0.00 O ATOM 959 CB LEU A 63 29.996 -1.047 1.360 1.00 0.00 C ATOM 960 CG LEU A 63 30.295 -1.593 -0.034 1.00 0.00 C ATOM 961 CD1 LEU A 63 29.653 -2.969 -0.190 1.00 0.00 C ATOM 962 CD2 LEU A 63 29.729 -0.644 -1.085 1.00 0.00 C ATOM 0 H LEU A 63 30.557 0.337 3.455 1.00 0.00 H new ATOM 0 HA LEU A 63 31.381 -2.301 2.409 1.00 0.00 H new ATOM 0 HB2 LEU A 63 29.138 -1.564 1.788 1.00 0.00 H new ATOM 0 HB3 LEU A 63 29.734 0.009 1.300 1.00 0.00 H new ATOM 0 HG LEU A 63 31.373 -1.679 -0.167 1.00 0.00 H new ATOM 0 HD11 LEU A 63 29.866 -3.359 -1.185 1.00 0.00 H new ATOM 0 HD12 LEU A 63 30.059 -3.647 0.560 1.00 0.00 H new ATOM 0 HD13 LEU A 63 28.574 -2.885 -0.057 1.00 0.00 H new ATOM 0 HD21 LEU A 63 29.943 -1.034 -2.080 1.00 0.00 H new ATOM 0 HD22 LEU A 63 28.651 -0.557 -0.953 1.00 0.00 H new ATOM 0 HD23 LEU A 63 30.189 0.338 -0.974 1.00 0.00 H new ATOM 974 N TYR A 64 33.381 -1.528 1.174 1.00 0.00 N ATOM 975 CA TYR A 64 34.606 -1.099 0.532 1.00 0.00 C ATOM 976 C TYR A 64 35.279 -0.022 1.372 1.00 0.00 C ATOM 977 O TYR A 64 36.058 0.776 0.856 1.00 0.00 O ATOM 978 CB TYR A 64 34.290 -0.575 -0.866 1.00 0.00 C ATOM 979 CG TYR A 64 33.579 -1.581 -1.739 1.00 0.00 C ATOM 980 CD1 TYR A 64 34.189 -2.804 -2.037 1.00 0.00 C ATOM 981 CD2 TYR A 64 32.309 -1.289 -2.252 1.00 0.00 C ATOM 982 CE1 TYR A 64 33.530 -3.737 -2.848 1.00 0.00 C ATOM 983 CE2 TYR A 64 31.649 -2.220 -3.062 1.00 0.00 C ATOM 984 CZ TYR A 64 32.260 -3.445 -3.360 1.00 0.00 C ATOM 985 OH TYR A 64 31.618 -4.353 -4.151 1.00 0.00 O ATOM 0 H TYR A 64 33.290 -2.539 1.273 1.00 0.00 H new ATOM 0 HA TYR A 64 35.290 -1.943 0.444 1.00 0.00 H new ATOM 0 HB2 TYR A 64 33.673 0.319 -0.779 1.00 0.00 H new ATOM 0 HB3 TYR A 64 35.219 -0.276 -1.352 1.00 0.00 H new ATOM 0 HD1 TYR A 64 35.169 -3.029 -1.642 1.00 0.00 H new ATOM 0 HD2 TYR A 64 31.838 -0.344 -2.022 1.00 0.00 H new ATOM 0 HE1 TYR A 64 34.001 -4.681 -3.078 1.00 0.00 H new ATOM 0 HE2 TYR A 64 30.669 -1.994 -3.457 1.00 0.00 H new ATOM 0 HH TYR A 64 30.649 -4.229 -4.072 1.00 0.00 H new ATOM 995 N GLY A 65 34.977 -0.002 2.672 1.00 0.00 N ATOM 996 CA GLY A 65 35.555 0.975 3.573 1.00 0.00 C ATOM 997 C GLY A 65 34.801 2.295 3.472 1.00 0.00 C ATOM 998 O GLY A 65 35.333 3.347 3.822 1.00 0.00 O ATOM 0 H GLY A 65 34.333 -0.656 3.117 1.00 0.00 H new ATOM 0 HA2 GLY A 65 35.517 0.603 4.597 1.00 0.00 H new ATOM 0 HA3 GLY A 65 36.606 1.129 3.329 1.00 0.00 H new ATOM 1002 N HIS A 66 33.558 2.236 2.992 1.00 0.00 N ATOM 1003 CA HIS A 66 32.741 3.424 2.846 1.00 0.00 C ATOM 1004 C HIS A 66 31.425 3.245 3.592 1.00 0.00 C ATOM 1005 O HIS A 66 30.765 2.218 3.456 1.00 0.00 O ATOM 1006 CB HIS A 66 32.488 3.688 1.364 1.00 0.00 C ATOM 1007 CG HIS A 66 33.710 3.456 0.517 1.00 0.00 C ATOM 1008 ND1 HIS A 66 34.943 4.039 0.695 1.00 0.00 N ATOM 1009 CD2 HIS A 66 33.794 2.626 -0.568 1.00 0.00 C ATOM 1010 CE1 HIS A 66 35.753 3.566 -0.270 1.00 0.00 C ATOM 1011 NE2 HIS A 66 35.098 2.701 -1.063 1.00 0.00 N ATOM 0 H HIS A 66 33.101 1.372 2.699 1.00 0.00 H new ATOM 0 HA HIS A 66 33.263 4.281 3.272 1.00 0.00 H new ATOM 0 HB2 HIS A 66 31.682 3.042 1.016 1.00 0.00 H new ATOM 0 HB3 HIS A 66 32.151 4.716 1.235 1.00 0.00 H new ATOM 0 HD2 HIS A 66 32.995 2.021 -0.970 1.00 0.00 H new ATOM 0 HE1 HIS A 66 36.790 3.844 -0.391 1.00 0.00 H new ATOM 0 HE2 HIS A 66 35.477 2.199 -1.866 1.00 0.00 H new ATOM 1019 N MET A 67 31.048 4.251 4.383 1.00 0.00 N ATOM 1020 CA MET A 67 29.817 4.200 5.148 1.00 0.00 C ATOM 1021 C MET A 67 28.746 5.036 4.462 1.00 0.00 C ATOM 1022 O MET A 67 28.972 6.202 4.146 1.00 0.00 O ATOM 1023 CB MET A 67 30.076 4.709 6.562 1.00 0.00 C ATOM 1024 CG MET A 67 28.871 4.395 7.444 1.00 0.00 C ATOM 1025 SD MET A 67 28.775 5.406 8.943 1.00 0.00 S ATOM 1026 CE MET A 67 27.397 6.484 8.477 1.00 0.00 C ATOM 0 H MET A 67 31.584 5.110 4.506 1.00 0.00 H new ATOM 0 HA MET A 67 29.464 3.170 5.205 1.00 0.00 H new ATOM 0 HB2 MET A 67 30.971 4.240 6.971 1.00 0.00 H new ATOM 0 HB3 MET A 67 30.258 5.784 6.546 1.00 0.00 H new ATOM 0 HG2 MET A 67 27.960 4.538 6.862 1.00 0.00 H new ATOM 0 HG3 MET A 67 28.906 3.343 7.729 1.00 0.00 H new ATOM 0 HE1 MET A 67 27.191 7.183 9.288 1.00 0.00 H new ATOM 0 HE2 MET A 67 27.658 7.040 7.576 1.00 0.00 H new ATOM 0 HE3 MET A 67 26.511 5.879 8.286 1.00 0.00 H new ATOM 1036 N LEU A 68 27.576 4.436 4.233 1.00 0.00 N ATOM 1037 CA LEU A 68 26.475 5.125 3.589 1.00 0.00 C ATOM 1038 C LEU A 68 25.744 5.993 4.603 1.00 0.00 C ATOM 1039 O LEU A 68 25.765 5.708 5.798 1.00 0.00 O ATOM 1040 CB LEU A 68 25.527 4.102 2.970 1.00 0.00 C ATOM 1041 CG LEU A 68 26.330 3.092 2.154 1.00 0.00 C ATOM 1042 CD1 LEU A 68 25.825 1.683 2.447 1.00 0.00 C ATOM 1043 CD2 LEU A 68 26.165 3.395 0.667 1.00 0.00 C ATOM 0 H LEU A 68 27.374 3.469 4.489 1.00 0.00 H new ATOM 0 HA LEU A 68 26.859 5.770 2.799 1.00 0.00 H new ATOM 0 HB2 LEU A 68 24.966 3.590 3.752 1.00 0.00 H new ATOM 0 HB3 LEU A 68 24.799 4.604 2.333 1.00 0.00 H new ATOM 0 HG LEU A 68 27.384 3.162 2.424 1.00 0.00 H new ATOM 0 HD11 LEU A 68 26.399 0.962 1.864 1.00 0.00 H new ATOM 0 HD12 LEU A 68 25.944 1.467 3.509 1.00 0.00 H new ATOM 0 HD13 LEU A 68 24.771 1.611 2.178 1.00 0.00 H new ATOM 0 HD21 LEU A 68 26.738 2.675 0.083 1.00 0.00 H new ATOM 0 HD22 LEU A 68 25.111 3.326 0.396 1.00 0.00 H new ATOM 0 HD23 LEU A 68 26.528 4.401 0.458 1.00 0.00 H new ATOM 1055 N ASP A 69 25.095 7.056 4.122 1.00 0.00 N ATOM 1056 CA ASP A 69 24.362 7.959 4.987 1.00 0.00 C ATOM 1057 C ASP A 69 23.266 8.655 4.193 1.00 0.00 C ATOM 1058 O ASP A 69 23.286 9.874 4.040 1.00 0.00 O ATOM 1059 CB ASP A 69 25.325 8.978 5.588 1.00 0.00 C ATOM 1060 CG ASP A 69 24.701 9.671 6.792 1.00 0.00 C ATOM 1061 OD1 ASP A 69 24.638 9.015 7.854 1.00 0.00 O ATOM 1062 OD2 ASP A 69 24.301 10.843 6.628 1.00 0.00 O ATOM 0 H ASP A 69 25.067 7.306 3.133 1.00 0.00 H new ATOM 0 HA ASP A 69 23.896 7.398 5.797 1.00 0.00 H new ATOM 0 HB2 ASP A 69 26.247 8.480 5.887 1.00 0.00 H new ATOM 0 HB3 ASP A 69 25.593 9.719 4.835 1.00 0.00 H new ATOM 1067 N ASP A 70 22.307 7.877 3.686 1.00 0.00 N ATOM 1068 CA ASP A 70 21.210 8.421 2.910 1.00 0.00 C ATOM 1069 C ASP A 70 20.319 7.292 2.415 1.00 0.00 C ATOM 1070 O ASP A 70 19.981 7.237 1.235 1.00 0.00 O ATOM 1071 CB ASP A 70 21.767 9.225 1.738 1.00 0.00 C ATOM 1072 CG ASP A 70 22.822 8.427 0.985 1.00 0.00 C ATOM 1073 OD1 ASP A 70 22.489 7.297 0.569 1.00 0.00 O ATOM 1074 OD2 ASP A 70 23.942 8.964 0.839 1.00 0.00 O ATOM 0 H ASP A 70 22.276 6.864 3.804 1.00 0.00 H new ATOM 0 HA ASP A 70 20.610 9.083 3.535 1.00 0.00 H new ATOM 0 HB2 ASP A 70 20.958 9.496 1.060 1.00 0.00 H new ATOM 0 HB3 ASP A 70 22.201 10.155 2.104 1.00 0.00 H new ATOM 1079 N SER A 71 19.938 6.388 3.322 1.00 0.00 N ATOM 1080 CA SER A 71 19.089 5.268 2.972 1.00 0.00 C ATOM 1081 C SER A 71 17.627 5.650 3.154 1.00 0.00 C ATOM 1082 O SER A 71 16.770 5.228 2.381 1.00 0.00 O ATOM 1083 CB SER A 71 19.447 4.068 3.844 1.00 0.00 C ATOM 1084 OG SER A 71 19.371 4.436 5.203 1.00 0.00 O ATOM 0 H SER A 71 20.210 6.419 4.305 1.00 0.00 H new ATOM 0 HA SER A 71 19.246 5.001 1.927 1.00 0.00 H new ATOM 0 HB2 SER A 71 18.766 3.241 3.641 1.00 0.00 H new ATOM 0 HB3 SER A 71 20.452 3.719 3.606 1.00 0.00 H new ATOM 0 HG SER A 71 18.970 3.705 5.718 1.00 0.00 H new ATOM 1090 N SER A 72 17.344 6.455 4.181 1.00 0.00 N ATOM 1091 CA SER A 72 15.990 6.892 4.457 1.00 0.00 C ATOM 1092 C SER A 72 15.607 8.021 3.510 1.00 0.00 C ATOM 1093 O SER A 72 14.472 8.490 3.525 1.00 0.00 O ATOM 1094 CB SER A 72 15.892 7.349 5.910 1.00 0.00 C ATOM 1095 OG SER A 72 16.805 8.401 6.135 1.00 0.00 O ATOM 0 H SER A 72 18.043 6.814 4.832 1.00 0.00 H new ATOM 0 HA SER A 72 15.298 6.065 4.301 1.00 0.00 H new ATOM 0 HB2 SER A 72 14.877 7.681 6.130 1.00 0.00 H new ATOM 0 HB3 SER A 72 16.108 6.516 6.580 1.00 0.00 H new ATOM 0 HG SER A 72 16.741 8.696 7.067 1.00 0.00 H new ATOM 1101 N SER A 73 16.561 8.455 2.683 1.00 0.00 N ATOM 1102 CA SER A 73 16.320 9.523 1.733 1.00 0.00 C ATOM 1103 C SER A 73 15.531 8.989 0.546 1.00 0.00 C ATOM 1104 O SER A 73 15.763 7.869 0.095 1.00 0.00 O ATOM 1105 CB SER A 73 17.653 10.108 1.278 1.00 0.00 C ATOM 1106 OG SER A 73 17.419 11.281 0.528 1.00 0.00 O ATOM 0 H SER A 73 17.508 8.076 2.659 1.00 0.00 H new ATOM 0 HA SER A 73 15.735 10.312 2.207 1.00 0.00 H new ATOM 0 HB2 SER A 73 18.277 10.334 2.142 1.00 0.00 H new ATOM 0 HB3 SER A 73 18.195 9.380 0.675 1.00 0.00 H new ATOM 0 HG SER A 73 17.760 11.160 -0.383 1.00 0.00 H new ATOM 1112 N GLU A 74 14.595 9.795 0.039 1.00 0.00 N ATOM 1113 CA GLU A 74 13.780 9.400 -1.092 1.00 0.00 C ATOM 1114 C GLU A 74 14.635 9.335 -2.350 1.00 0.00 C ATOM 1115 O GLU A 74 14.228 8.753 -3.353 1.00 0.00 O ATOM 1116 CB GLU A 74 12.637 10.395 -1.267 1.00 0.00 C ATOM 1117 CG GLU A 74 11.379 9.848 -0.599 1.00 0.00 C ATOM 1118 CD GLU A 74 10.214 10.815 -0.758 1.00 0.00 C ATOM 1119 OE1 GLU A 74 10.406 11.997 -0.400 1.00 0.00 O ATOM 1120 OE2 GLU A 74 9.155 10.354 -1.233 1.00 0.00 O ATOM 0 H GLU A 74 14.389 10.726 0.401 1.00 0.00 H new ATOM 0 HA GLU A 74 13.360 8.411 -0.912 1.00 0.00 H new ATOM 0 HB2 GLU A 74 12.906 11.355 -0.828 1.00 0.00 H new ATOM 0 HB3 GLU A 74 12.452 10.570 -2.327 1.00 0.00 H new ATOM 0 HG2 GLU A 74 11.119 8.885 -1.038 1.00 0.00 H new ATOM 0 HG3 GLU A 74 11.571 9.675 0.460 1.00 0.00 H new ATOM 1127 N GLN A 75 15.827 9.936 -2.294 1.00 0.00 N ATOM 1128 CA GLN A 75 16.731 9.944 -3.426 1.00 0.00 C ATOM 1129 C GLN A 75 18.133 9.566 -2.968 1.00 0.00 C ATOM 1130 O GLN A 75 18.685 10.193 -2.066 1.00 0.00 O ATOM 1131 CB GLN A 75 16.727 11.329 -4.068 1.00 0.00 C ATOM 1132 CG GLN A 75 17.221 12.360 -3.057 1.00 0.00 C ATOM 1133 CD GLN A 75 16.975 13.775 -3.563 1.00 0.00 C ATOM 1134 OE1 GLN A 75 15.851 14.268 -3.507 1.00 0.00 O ATOM 1135 NE2 GLN A 75 18.031 14.426 -4.055 1.00 0.00 N ATOM 0 H GLN A 75 16.181 10.422 -1.470 1.00 0.00 H new ATOM 0 HA GLN A 75 16.402 9.214 -4.165 1.00 0.00 H new ATOM 0 HB2 GLN A 75 17.366 11.334 -4.951 1.00 0.00 H new ATOM 0 HB3 GLN A 75 15.721 11.584 -4.402 1.00 0.00 H new ATOM 0 HG2 GLN A 75 16.711 12.216 -2.105 1.00 0.00 H new ATOM 0 HG3 GLN A 75 18.286 12.215 -2.873 1.00 0.00 H new ATOM 0 HE21 GLN A 75 18.944 13.972 -4.079 1.00 0.00 H new ATOM 0 HE22 GLN A 75 17.925 15.378 -4.407 1.00 0.00 H new ATOM 1144 N CYS A 76 18.708 8.536 -3.594 1.00 0.00 N ATOM 1145 CA CYS A 76 20.040 8.080 -3.251 1.00 0.00 C ATOM 1146 C CYS A 76 21.077 9.015 -3.857 1.00 0.00 C ATOM 1147 O CYS A 76 21.044 9.289 -5.055 1.00 0.00 O ATOM 1148 CB CYS A 76 20.235 6.654 -3.757 1.00 0.00 C ATOM 1149 SG CYS A 76 21.152 5.587 -2.619 1.00 0.00 S ATOM 0 H CYS A 76 18.262 8.006 -4.343 1.00 0.00 H new ATOM 0 HA CYS A 76 20.163 8.086 -2.168 1.00 0.00 H new ATOM 0 HB2 CYS A 76 19.258 6.210 -3.947 1.00 0.00 H new ATOM 0 HB3 CYS A 76 20.761 6.687 -4.711 1.00 0.00 H new ATOM 1154 N VAL A 77 22.000 9.504 -3.026 1.00 0.00 N ATOM 1155 CA VAL A 77 23.040 10.405 -3.484 1.00 0.00 C ATOM 1156 C VAL A 77 24.386 9.694 -3.456 1.00 0.00 C ATOM 1157 O VAL A 77 24.656 8.907 -2.550 1.00 0.00 O ATOM 1158 CB VAL A 77 23.066 11.645 -2.595 1.00 0.00 C ATOM 1159 CG1 VAL A 77 23.999 11.405 -1.412 1.00 0.00 C ATOM 1160 CG2 VAL A 77 23.564 12.839 -3.404 1.00 0.00 C ATOM 0 H VAL A 77 22.042 9.286 -2.031 1.00 0.00 H new ATOM 0 HA VAL A 77 22.834 10.713 -4.509 1.00 0.00 H new ATOM 0 HB VAL A 77 22.061 11.850 -2.227 1.00 0.00 H new ATOM 0 HG11 VAL A 77 24.017 12.291 -0.777 1.00 0.00 H new ATOM 0 HG12 VAL A 77 23.642 10.552 -0.834 1.00 0.00 H new ATOM 0 HG13 VAL A 77 25.005 11.200 -1.778 1.00 0.00 H new ATOM 0 HG21 VAL A 77 23.583 13.726 -2.770 1.00 0.00 H new ATOM 0 HG22 VAL A 77 24.569 12.635 -3.773 1.00 0.00 H new ATOM 0 HG23 VAL A 77 22.896 13.011 -4.248 1.00 0.00 H new ATOM 1170 N MET A 78 25.231 9.972 -4.450 1.00 0.00 N ATOM 1171 CA MET A 78 26.540 9.357 -4.534 1.00 0.00 C ATOM 1172 C MET A 78 27.413 9.840 -3.384 1.00 0.00 C ATOM 1173 O MET A 78 27.158 10.894 -2.805 1.00 0.00 O ATOM 1174 CB MET A 78 27.178 9.700 -5.876 1.00 0.00 C ATOM 1175 CG MET A 78 27.823 11.081 -5.796 1.00 0.00 C ATOM 1176 SD MET A 78 26.725 12.368 -5.151 1.00 0.00 S ATOM 1177 CE MET A 78 27.934 13.338 -4.216 1.00 0.00 C ATOM 0 H MET A 78 25.023 10.623 -5.207 1.00 0.00 H new ATOM 0 HA MET A 78 26.441 8.274 -4.459 1.00 0.00 H new ATOM 0 HB2 MET A 78 27.927 8.952 -6.136 1.00 0.00 H new ATOM 0 HB3 MET A 78 26.424 9.684 -6.663 1.00 0.00 H new ATOM 0 HG2 MET A 78 28.708 11.022 -5.163 1.00 0.00 H new ATOM 0 HG3 MET A 78 28.162 11.371 -6.791 1.00 0.00 H new ATOM 0 HE1 MET A 78 27.441 14.203 -3.772 1.00 0.00 H new ATOM 0 HE2 MET A 78 28.364 12.721 -3.427 1.00 0.00 H new ATOM 0 HE3 MET A 78 28.726 13.675 -4.885 1.00 0.00 H new ATOM 1187 N LYS A 79 28.448 9.064 -3.053 1.00 0.00 N ATOM 1188 CA LYS A 79 29.353 9.415 -1.978 1.00 0.00 C ATOM 1189 C LYS A 79 30.781 9.060 -2.365 1.00 0.00 C ATOM 1190 O LYS A 79 31.149 7.887 -2.389 1.00 0.00 O ATOM 1191 CB LYS A 79 28.939 8.680 -0.706 1.00 0.00 C ATOM 1192 CG LYS A 79 27.748 9.393 -0.072 1.00 0.00 C ATOM 1193 CD LYS A 79 27.228 8.569 1.103 1.00 0.00 C ATOM 1194 CE LYS A 79 26.314 9.434 1.966 1.00 0.00 C ATOM 1195 NZ LYS A 79 27.045 9.988 3.117 1.00 0.00 N ATOM 0 H LYS A 79 28.673 8.187 -3.522 1.00 0.00 H new ATOM 0 HA LYS A 79 29.305 10.488 -1.795 1.00 0.00 H new ATOM 0 HB2 LYS A 79 28.677 7.648 -0.938 1.00 0.00 H new ATOM 0 HB3 LYS A 79 29.773 8.647 -0.004 1.00 0.00 H new ATOM 0 HG2 LYS A 79 28.044 10.385 0.269 1.00 0.00 H new ATOM 0 HG3 LYS A 79 26.958 9.532 -0.810 1.00 0.00 H new ATOM 0 HD2 LYS A 79 26.684 7.698 0.738 1.00 0.00 H new ATOM 0 HD3 LYS A 79 28.062 8.197 1.698 1.00 0.00 H new ATOM 0 HE2 LYS A 79 25.903 10.246 1.366 1.00 0.00 H new ATOM 0 HE3 LYS A 79 25.471 8.840 2.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 26.484 10.749 3.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 27.210 9.237 3.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 27.958 10.370 2.797 1.00 0.00 H new ATOM 1209 N GLU A 80 31.589 10.078 -2.669 1.00 0.00 N ATOM 1210 CA GLU A 80 32.970 9.868 -3.052 1.00 0.00 C ATOM 1211 C GLU A 80 33.814 9.584 -1.817 1.00 0.00 C ATOM 1212 O GLU A 80 34.063 10.477 -1.011 1.00 0.00 O ATOM 1213 CB GLU A 80 33.486 11.102 -3.787 1.00 0.00 C ATOM 1214 CG GLU A 80 33.491 12.296 -2.836 1.00 0.00 C ATOM 1215 CD GLU A 80 34.902 12.601 -2.354 1.00 0.00 C ATOM 1216 OE1 GLU A 80 35.833 12.407 -3.165 1.00 0.00 O ATOM 1217 OE2 GLU A 80 35.022 13.021 -1.184 1.00 0.00 O ATOM 0 H GLU A 80 31.301 11.056 -2.655 1.00 0.00 H new ATOM 0 HA GLU A 80 33.038 9.008 -3.718 1.00 0.00 H new ATOM 0 HB2 GLU A 80 34.492 10.920 -4.164 1.00 0.00 H new ATOM 0 HB3 GLU A 80 32.856 11.314 -4.651 1.00 0.00 H new ATOM 0 HG2 GLU A 80 33.078 13.170 -3.341 1.00 0.00 H new ATOM 0 HG3 GLU A 80 32.848 12.088 -1.981 1.00 0.00 H new ATOM 1224 N LYS A 81 34.256 8.333 -1.672 1.00 0.00 N ATOM 1225 CA LYS A 81 35.068 7.936 -0.540 1.00 0.00 C ATOM 1226 C LYS A 81 36.501 7.690 -0.992 1.00 0.00 C ATOM 1227 O LYS A 81 36.749 7.426 -2.165 1.00 0.00 O ATOM 1228 CB LYS A 81 34.478 6.680 0.095 1.00 0.00 C ATOM 1229 CG LYS A 81 33.341 7.073 1.035 1.00 0.00 C ATOM 1230 CD LYS A 81 32.077 7.338 0.223 1.00 0.00 C ATOM 1231 CE LYS A 81 30.859 6.844 0.999 1.00 0.00 C ATOM 1232 NZ LYS A 81 30.357 7.885 1.909 1.00 0.00 N ATOM 0 H LYS A 81 34.059 7.581 -2.332 1.00 0.00 H new ATOM 0 HA LYS A 81 35.075 8.733 0.203 1.00 0.00 H new ATOM 0 HB2 LYS A 81 34.109 6.007 -0.679 1.00 0.00 H new ATOM 0 HB3 LYS A 81 35.249 6.141 0.645 1.00 0.00 H new ATOM 0 HG2 LYS A 81 33.161 6.277 1.758 1.00 0.00 H new ATOM 0 HG3 LYS A 81 33.615 7.963 1.602 1.00 0.00 H new ATOM 0 HD2 LYS A 81 31.982 8.404 0.016 1.00 0.00 H new ATOM 0 HD3 LYS A 81 32.138 6.831 -0.740 1.00 0.00 H new ATOM 0 HE2 LYS A 81 30.072 6.554 0.302 1.00 0.00 H new ATOM 0 HE3 LYS A 81 31.123 5.954 1.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 29.606 7.489 2.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 31.135 8.227 2.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 29.974 8.677 1.354 1.00 0.00 H new ATOM 1246 N LYS A 82 37.446 7.776 -0.052 1.00 0.00 N ATOM 1247 CA LYS A 82 38.847 7.563 -0.357 1.00 0.00 C ATOM 1248 C LYS A 82 39.023 6.234 -1.079 1.00 0.00 C ATOM 1249 O LYS A 82 38.976 5.174 -0.457 1.00 0.00 O ATOM 1250 CB LYS A 82 39.658 7.586 0.936 1.00 0.00 C ATOM 1251 CG LYS A 82 38.967 6.720 1.984 1.00 0.00 C ATOM 1252 CD LYS A 82 39.934 5.647 2.477 1.00 0.00 C ATOM 1253 CE LYS A 82 39.166 4.592 3.268 1.00 0.00 C ATOM 1254 NZ LYS A 82 39.819 4.323 4.559 1.00 0.00 N ATOM 0 H LYS A 82 37.257 7.993 0.927 1.00 0.00 H new ATOM 0 HA LYS A 82 39.205 8.359 -1.010 1.00 0.00 H new ATOM 0 HB2 LYS A 82 40.667 7.217 0.752 1.00 0.00 H new ATOM 0 HB3 LYS A 82 39.754 8.609 1.300 1.00 0.00 H new ATOM 0 HG2 LYS A 82 38.635 7.337 2.819 1.00 0.00 H new ATOM 0 HG3 LYS A 82 38.078 6.255 1.558 1.00 0.00 H new ATOM 0 HD2 LYS A 82 40.442 5.184 1.631 1.00 0.00 H new ATOM 0 HD3 LYS A 82 40.704 6.097 3.103 1.00 0.00 H new ATOM 0 HE2 LYS A 82 38.144 4.931 3.437 1.00 0.00 H new ATOM 0 HE3 LYS A 82 39.104 3.671 2.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 39.278 3.602 5.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 40.786 3.978 4.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 39.855 5.199 5.119 1.00 0.00 H new ATOM 1268 N ASP A 83 39.225 6.292 -2.397 1.00 0.00 N ATOM 1269 CA ASP A 83 39.406 5.097 -3.196 1.00 0.00 C ATOM 1270 C ASP A 83 40.730 5.173 -3.942 1.00 0.00 C ATOM 1271 O ASP A 83 40.959 6.104 -4.711 1.00 0.00 O ATOM 1272 CB ASP A 83 38.241 4.960 -4.174 1.00 0.00 C ATOM 1273 CG ASP A 83 36.934 4.726 -3.431 1.00 0.00 C ATOM 1274 OD1 ASP A 83 36.891 3.750 -2.651 1.00 0.00 O ATOM 1275 OD2 ASP A 83 36.001 5.527 -3.658 1.00 0.00 O ATOM 0 H ASP A 83 39.266 7.162 -2.928 1.00 0.00 H new ATOM 0 HA ASP A 83 39.426 4.220 -2.549 1.00 0.00 H new ATOM 0 HB2 ASP A 83 38.163 5.862 -4.781 1.00 0.00 H new ATOM 0 HB3 ASP A 83 38.429 4.131 -4.857 1.00 0.00 H new ATOM 1280 N ASP A 84 41.603 4.189 -3.714 1.00 0.00 N ATOM 1281 CA ASP A 84 42.898 4.150 -4.364 1.00 0.00 C ATOM 1282 C ASP A 84 42.808 3.330 -5.642 1.00 0.00 C ATOM 1283 O ASP A 84 42.327 2.199 -5.625 1.00 0.00 O ATOM 1284 CB ASP A 84 43.927 3.552 -3.408 1.00 0.00 C ATOM 1285 CG ASP A 84 45.300 4.167 -3.634 1.00 0.00 C ATOM 1286 OD1 ASP A 84 45.980 3.709 -4.577 1.00 0.00 O ATOM 1287 OD2 ASP A 84 45.646 5.086 -2.858 1.00 0.00 O ATOM 0 H ASP A 84 41.428 3.409 -3.080 1.00 0.00 H new ATOM 0 HA ASP A 84 43.210 5.161 -4.626 1.00 0.00 H new ATOM 0 HB2 ASP A 84 43.614 3.721 -2.378 1.00 0.00 H new ATOM 0 HB3 ASP A 84 43.979 2.473 -3.552 1.00 0.00 H new ATOM 1292 N GLY A 85 43.274 3.903 -6.755 1.00 0.00 N ATOM 1293 CA GLY A 85 43.240 3.219 -8.033 1.00 0.00 C ATOM 1294 C GLY A 85 42.023 3.658 -8.834 1.00 0.00 C ATOM 1295 O GLY A 85 41.913 3.357 -10.021 1.00 0.00 O ATOM 0 H GLY A 85 43.678 4.839 -6.788 1.00 0.00 H new ATOM 0 HA2 GLY A 85 44.150 3.435 -8.593 1.00 0.00 H new ATOM 0 HA3 GLY A 85 43.211 2.141 -7.876 1.00 0.00 H new ATOM 1299 N GLY A 86 41.104 4.371 -8.180 1.00 0.00 N ATOM 1300 CA GLY A 86 39.901 4.845 -8.834 1.00 0.00 C ATOM 1301 C GLY A 86 38.924 5.399 -7.806 1.00 0.00 C ATOM 1302 O GLY A 86 39.218 5.418 -6.613 1.00 0.00 O ATOM 0 H GLY A 86 41.178 4.629 -7.196 1.00 0.00 H new ATOM 0 HA2 GLY A 86 40.154 5.618 -9.559 1.00 0.00 H new ATOM 0 HA3 GLY A 86 39.434 4.030 -9.387 1.00 0.00 H new ATOM 1306 N LEU A 87 37.758 5.850 -8.274 1.00 0.00 N ATOM 1307 CA LEU A 87 36.744 6.402 -7.398 1.00 0.00 C ATOM 1308 C LEU A 87 35.645 5.373 -7.168 1.00 0.00 C ATOM 1309 O LEU A 87 35.290 4.626 -8.076 1.00 0.00 O ATOM 1310 CB LEU A 87 36.173 7.673 -8.019 1.00 0.00 C ATOM 1311 CG LEU A 87 36.533 8.871 -7.145 1.00 0.00 C ATOM 1312 CD1 LEU A 87 38.040 8.896 -6.910 1.00 0.00 C ATOM 1313 CD2 LEU A 87 36.104 10.158 -7.844 1.00 0.00 C ATOM 0 H LEU A 87 37.500 5.840 -9.261 1.00 0.00 H new ATOM 0 HA LEU A 87 37.188 6.652 -6.434 1.00 0.00 H new ATOM 0 HB2 LEU A 87 36.571 7.810 -9.024 1.00 0.00 H new ATOM 0 HB3 LEU A 87 35.090 7.590 -8.113 1.00 0.00 H new ATOM 0 HG LEU A 87 36.019 8.789 -6.187 1.00 0.00 H new ATOM 0 HD11 LEU A 87 38.297 9.752 -6.286 1.00 0.00 H new ATOM 0 HD12 LEU A 87 38.345 7.977 -6.410 1.00 0.00 H new ATOM 0 HD13 LEU A 87 38.556 8.977 -7.867 1.00 0.00 H new ATOM 0 HD21 LEU A 87 36.361 11.014 -7.220 1.00 0.00 H new ATOM 0 HD22 LEU A 87 36.617 10.240 -8.802 1.00 0.00 H new ATOM 0 HD23 LEU A 87 35.027 10.140 -8.010 1.00 0.00 H new ATOM 1325 N MET A 88 35.105 5.339 -5.947 1.00 0.00 N ATOM 1326 CA MET A 88 34.052 4.403 -5.606 1.00 0.00 C ATOM 1327 C MET A 88 32.957 5.118 -4.827 1.00 0.00 C ATOM 1328 O MET A 88 33.195 5.617 -3.729 1.00 0.00 O ATOM 1329 CB MET A 88 34.638 3.258 -4.785 1.00 0.00 C ATOM 1330 CG MET A 88 35.896 2.731 -5.470 1.00 0.00 C ATOM 1331 SD MET A 88 35.901 0.939 -5.722 1.00 0.00 S ATOM 1332 CE MET A 88 37.607 0.582 -5.233 1.00 0.00 C ATOM 0 H MET A 88 35.386 5.953 -5.183 1.00 0.00 H new ATOM 0 HA MET A 88 33.615 3.995 -6.517 1.00 0.00 H new ATOM 0 HB2 MET A 88 34.876 3.603 -3.779 1.00 0.00 H new ATOM 0 HB3 MET A 88 33.905 2.458 -4.682 1.00 0.00 H new ATOM 0 HG2 MET A 88 36.005 3.224 -6.436 1.00 0.00 H new ATOM 0 HG3 MET A 88 36.765 3.006 -4.872 1.00 0.00 H new ATOM 0 HE1 MET A 88 37.796 -0.488 -5.325 1.00 0.00 H new ATOM 0 HE2 MET A 88 38.293 1.128 -5.880 1.00 0.00 H new ATOM 0 HE3 MET A 88 37.761 0.890 -4.199 1.00 0.00 H new ATOM 1342 N PHE A 89 31.752 5.165 -5.399 1.00 0.00 N ATOM 1343 CA PHE A 89 30.628 5.815 -4.758 1.00 0.00 C ATOM 1344 C PHE A 89 29.625 4.771 -4.289 1.00 0.00 C ATOM 1345 O PHE A 89 29.282 3.856 -5.035 1.00 0.00 O ATOM 1346 CB PHE A 89 29.978 6.789 -5.738 1.00 0.00 C ATOM 1347 CG PHE A 89 30.835 7.992 -6.048 1.00 0.00 C ATOM 1348 CD1 PHE A 89 32.058 7.830 -6.709 1.00 0.00 C ATOM 1349 CD2 PHE A 89 30.407 9.273 -5.674 1.00 0.00 C ATOM 1350 CE1 PHE A 89 32.854 8.945 -6.995 1.00 0.00 C ATOM 1351 CE2 PHE A 89 31.203 10.388 -5.960 1.00 0.00 C ATOM 1352 CZ PHE A 89 32.426 10.224 -6.621 1.00 0.00 C ATOM 0 H PHE A 89 31.538 4.756 -6.309 1.00 0.00 H new ATOM 0 HA PHE A 89 30.974 6.372 -3.888 1.00 0.00 H new ATOM 0 HB2 PHE A 89 29.754 6.263 -6.666 1.00 0.00 H new ATOM 0 HB3 PHE A 89 29.027 7.127 -5.326 1.00 0.00 H new ATOM 0 HD1 PHE A 89 32.388 6.843 -6.999 1.00 0.00 H new ATOM 0 HD2 PHE A 89 29.463 9.400 -5.165 1.00 0.00 H new ATOM 0 HE1 PHE A 89 33.798 8.819 -7.504 1.00 0.00 H new ATOM 0 HE2 PHE A 89 30.874 11.375 -5.671 1.00 0.00 H new ATOM 0 HZ PHE A 89 33.040 11.085 -6.842 1.00 0.00 H new ATOM 1362 N MET A 90 29.153 4.910 -3.048 1.00 0.00 N ATOM 1363 CA MET A 90 28.194 3.978 -2.489 1.00 0.00 C ATOM 1364 C MET A 90 27.024 4.740 -1.883 1.00 0.00 C ATOM 1365 O MET A 90 27.219 5.747 -1.205 1.00 0.00 O ATOM 1366 CB MET A 90 28.881 3.116 -1.434 1.00 0.00 C ATOM 1367 CG MET A 90 29.772 3.994 -0.560 1.00 0.00 C ATOM 1368 SD MET A 90 31.277 4.568 -1.388 1.00 0.00 S ATOM 1369 CE MET A 90 31.607 3.119 -2.423 1.00 0.00 C ATOM 0 H MET A 90 29.425 5.663 -2.417 1.00 0.00 H new ATOM 0 HA MET A 90 27.810 3.330 -3.277 1.00 0.00 H new ATOM 0 HB2 MET A 90 28.135 2.611 -0.820 1.00 0.00 H new ATOM 0 HB3 MET A 90 29.477 2.340 -1.915 1.00 0.00 H new ATOM 0 HG2 MET A 90 29.199 4.860 -0.229 1.00 0.00 H new ATOM 0 HG3 MET A 90 30.051 3.436 0.333 1.00 0.00 H new ATOM 0 HE1 MET A 90 32.638 3.151 -2.775 1.00 0.00 H new ATOM 0 HE2 MET A 90 31.451 2.212 -1.839 1.00 0.00 H new ATOM 0 HE3 MET A 90 30.931 3.121 -3.278 1.00 0.00 H new ATOM 1379 N CYS A 91 25.805 4.255 -2.129 1.00 0.00 N ATOM 1380 CA CYS A 91 24.610 4.889 -1.610 1.00 0.00 C ATOM 1381 C CYS A 91 23.598 3.826 -1.204 1.00 0.00 C ATOM 1382 O CYS A 91 23.565 2.745 -1.786 1.00 0.00 O ATOM 1383 CB CYS A 91 24.024 5.816 -2.671 1.00 0.00 C ATOM 1384 SG CYS A 91 22.829 5.014 -3.768 1.00 0.00 S ATOM 0 H CYS A 91 25.628 3.421 -2.688 1.00 0.00 H new ATOM 0 HA CYS A 91 24.861 5.480 -0.729 1.00 0.00 H new ATOM 0 HB2 CYS A 91 23.540 6.658 -2.176 1.00 0.00 H new ATOM 0 HB3 CYS A 91 24.837 6.224 -3.272 1.00 0.00 H new ATOM 1389 N SER A 92 22.774 4.136 -0.200 1.00 0.00 N ATOM 1390 CA SER A 92 21.768 3.208 0.276 1.00 0.00 C ATOM 1391 C SER A 92 20.385 3.822 0.122 1.00 0.00 C ATOM 1392 O SER A 92 20.252 5.038 -0.004 1.00 0.00 O ATOM 1393 CB SER A 92 22.048 2.863 1.737 1.00 0.00 C ATOM 1394 OG SER A 92 22.519 4.010 2.409 1.00 0.00 O ATOM 0 H SER A 92 22.791 5.028 0.295 1.00 0.00 H new ATOM 0 HA SER A 92 21.803 2.292 -0.314 1.00 0.00 H new ATOM 0 HB2 SER A 92 21.140 2.495 2.215 1.00 0.00 H new ATOM 0 HB3 SER A 92 22.787 2.064 1.798 1.00 0.00 H new ATOM 0 HG SER A 92 21.919 4.764 2.230 1.00 0.00 H new ATOM 1400 N CYS A 93 19.352 2.978 0.134 1.00 0.00 N ATOM 1401 CA CYS A 93 17.985 3.437 -0.004 1.00 0.00 C ATOM 1402 C CYS A 93 17.040 2.244 -0.029 1.00 0.00 C ATOM 1403 O CYS A 93 17.367 1.202 -0.592 1.00 0.00 O ATOM 1404 CB CYS A 93 17.851 4.261 -1.282 1.00 0.00 C ATOM 1405 SG CYS A 93 18.307 3.363 -2.786 1.00 0.00 S ATOM 0 H CYS A 93 19.446 1.968 0.239 1.00 0.00 H new ATOM 0 HA CYS A 93 17.721 4.066 0.846 1.00 0.00 H new ATOM 0 HB2 CYS A 93 16.821 4.605 -1.374 1.00 0.00 H new ATOM 0 HB3 CYS A 93 18.477 5.149 -1.197 1.00 0.00 H new ATOM 1410 N THR A 94 15.864 2.399 0.584 1.00 0.00 N ATOM 1411 CA THR A 94 14.882 1.334 0.625 1.00 0.00 C ATOM 1412 C THR A 94 13.802 1.584 -0.417 1.00 0.00 C ATOM 1413 O THR A 94 12.832 0.833 -0.505 1.00 0.00 O ATOM 1414 CB THR A 94 14.276 1.258 2.024 1.00 0.00 C ATOM 1415 OG1 THR A 94 13.130 0.437 1.995 1.00 0.00 O ATOM 1416 CG2 THR A 94 13.885 2.659 2.487 1.00 0.00 C ATOM 0 H THR A 94 15.577 3.256 1.057 1.00 0.00 H new ATOM 0 HA THR A 94 15.363 0.383 0.397 1.00 0.00 H new ATOM 0 HB THR A 94 15.008 0.838 2.714 1.00 0.00 H new ATOM 0 HG1 THR A 94 13.007 0.079 1.091 1.00 0.00 H new ATOM 0 HG21 THR A 94 13.452 2.605 3.486 1.00 0.00 H new ATOM 0 HG22 THR A 94 14.770 3.295 2.509 1.00 0.00 H new ATOM 0 HG23 THR A 94 13.153 3.079 1.797 1.00 0.00 H new ATOM 1424 N GLY A 95 13.972 2.644 -1.210 1.00 0.00 N ATOM 1425 CA GLY A 95 13.013 2.986 -2.241 1.00 0.00 C ATOM 1426 C GLY A 95 13.073 1.970 -3.374 1.00 0.00 C ATOM 1427 O GLY A 95 13.972 1.133 -3.418 1.00 0.00 O ATOM 0 H GLY A 95 14.770 3.277 -1.151 1.00 0.00 H new ATOM 0 HA2 GLY A 95 12.008 3.012 -1.819 1.00 0.00 H new ATOM 0 HA3 GLY A 95 13.223 3.984 -2.626 1.00 0.00 H new ATOM 1431 N GLU A 96 12.109 2.047 -4.294 1.00 0.00 N ATOM 1432 CA GLU A 96 12.057 1.136 -5.421 1.00 0.00 C ATOM 1433 C GLU A 96 13.241 1.386 -6.345 1.00 0.00 C ATOM 1434 O GLU A 96 13.392 2.479 -6.886 1.00 0.00 O ATOM 1435 CB GLU A 96 10.739 1.328 -6.167 1.00 0.00 C ATOM 1436 CG GLU A 96 10.065 -0.027 -6.365 1.00 0.00 C ATOM 1437 CD GLU A 96 8.778 -0.116 -5.559 1.00 0.00 C ATOM 1438 OE1 GLU A 96 7.817 0.584 -5.945 1.00 0.00 O ATOM 1439 OE2 GLU A 96 8.778 -0.882 -4.571 1.00 0.00 O ATOM 0 H GLU A 96 11.356 2.735 -4.273 1.00 0.00 H new ATOM 0 HA GLU A 96 12.113 0.107 -5.064 1.00 0.00 H new ATOM 0 HB2 GLU A 96 10.084 1.993 -5.605 1.00 0.00 H new ATOM 0 HB3 GLU A 96 10.921 1.801 -7.132 1.00 0.00 H new ATOM 0 HG2 GLU A 96 9.848 -0.179 -7.422 1.00 0.00 H new ATOM 0 HG3 GLU A 96 10.745 -0.823 -6.062 1.00 0.00 H new ATOM 1446 N GLU A 97 14.082 0.364 -6.524 1.00 0.00 N ATOM 1447 CA GLU A 97 15.245 0.477 -7.381 1.00 0.00 C ATOM 1448 C GLU A 97 15.977 1.782 -7.095 1.00 0.00 C ATOM 1449 O GLU A 97 16.814 2.214 -7.883 1.00 0.00 O ATOM 1450 CB GLU A 97 14.806 0.415 -8.842 1.00 0.00 C ATOM 1451 CG GLU A 97 14.048 -0.887 -9.089 1.00 0.00 C ATOM 1452 CD GLU A 97 12.580 -0.611 -9.383 1.00 0.00 C ATOM 1453 OE1 GLU A 97 11.805 -0.566 -8.404 1.00 0.00 O ATOM 1454 OE2 GLU A 97 12.262 -0.452 -10.581 1.00 0.00 O ATOM 0 H GLU A 97 13.971 -0.549 -6.082 1.00 0.00 H new ATOM 0 HA GLU A 97 15.927 -0.349 -7.182 1.00 0.00 H new ATOM 0 HB2 GLU A 97 14.171 1.269 -9.079 1.00 0.00 H new ATOM 0 HB3 GLU A 97 15.675 0.473 -9.497 1.00 0.00 H new ATOM 0 HG2 GLU A 97 14.497 -1.421 -9.926 1.00 0.00 H new ATOM 0 HG3 GLU A 97 14.133 -1.534 -8.216 1.00 0.00 H new ATOM 1461 N CYS A 98 15.660 2.406 -5.958 1.00 0.00 N ATOM 1462 CA CYS A 98 16.286 3.653 -5.570 1.00 0.00 C ATOM 1463 C CYS A 98 17.799 3.526 -5.681 1.00 0.00 C ATOM 1464 O CYS A 98 18.487 4.504 -5.966 1.00 0.00 O ATOM 1465 CB CYS A 98 15.877 4.005 -4.143 1.00 0.00 C ATOM 1466 SG CYS A 98 16.246 2.712 -2.931 1.00 0.00 S ATOM 0 H CYS A 98 14.969 2.059 -5.293 1.00 0.00 H new ATOM 0 HA CYS A 98 15.958 4.452 -6.235 1.00 0.00 H new ATOM 0 HB2 CYS A 98 16.385 4.923 -3.846 1.00 0.00 H new ATOM 0 HB3 CYS A 98 14.807 4.212 -4.123 1.00 0.00 H new ATOM 1471 N ASN A 99 18.316 2.316 -5.455 1.00 0.00 N ATOM 1472 CA ASN A 99 19.742 2.070 -5.532 1.00 0.00 C ATOM 1473 C ASN A 99 20.208 2.165 -6.977 1.00 0.00 C ATOM 1474 O ASN A 99 21.271 2.717 -7.256 1.00 0.00 O ATOM 1475 CB ASN A 99 20.049 0.690 -4.954 1.00 0.00 C ATOM 1476 CG ASN A 99 19.873 -0.391 -6.010 1.00 0.00 C ATOM 1477 OD1 ASN A 99 20.620 -0.437 -6.984 1.00 0.00 O ATOM 1478 ND2 ASN A 99 18.882 -1.264 -5.813 1.00 0.00 N ATOM 0 H ASN A 99 17.760 1.495 -5.217 1.00 0.00 H new ATOM 0 HA ASN A 99 20.276 2.822 -4.951 1.00 0.00 H new ATOM 0 HB2 ASN A 99 21.070 0.670 -4.573 1.00 0.00 H new ATOM 0 HB3 ASN A 99 19.390 0.490 -4.109 1.00 0.00 H new ATOM 0 HD21 ASN A 99 18.719 -2.011 -6.488 1.00 0.00 H new ATOM 0 HD22 ASN A 99 18.288 -1.184 -4.988 1.00 0.00 H new ATOM 1485 N ASP A 100 19.408 1.625 -7.899 1.00 0.00 N ATOM 1486 CA ASP A 100 19.740 1.650 -9.309 1.00 0.00 C ATOM 1487 C ASP A 100 19.889 3.091 -9.777 1.00 0.00 C ATOM 1488 O ASP A 100 20.314 3.338 -10.903 1.00 0.00 O ATOM 1489 CB ASP A 100 18.649 0.935 -10.100 1.00 0.00 C ATOM 1490 CG ASP A 100 18.534 1.506 -11.507 1.00 0.00 C ATOM 1491 OD1 ASP A 100 17.967 2.614 -11.624 1.00 0.00 O ATOM 1492 OD2 ASP A 100 19.015 0.825 -12.438 1.00 0.00 O ATOM 0 H ASP A 100 18.523 1.165 -7.684 1.00 0.00 H new ATOM 0 HA ASP A 100 20.686 1.135 -9.474 1.00 0.00 H new ATOM 0 HB2 ASP A 100 18.872 -0.131 -10.153 1.00 0.00 H new ATOM 0 HB3 ASP A 100 17.695 1.036 -9.583 1.00 0.00 H new ATOM 1497 N VAL A 101 19.538 4.042 -8.909 1.00 0.00 N ATOM 1498 CA VAL A 101 19.634 5.451 -9.237 1.00 0.00 C ATOM 1499 C VAL A 101 20.767 6.088 -8.445 1.00 0.00 C ATOM 1500 O VAL A 101 20.608 6.390 -7.264 1.00 0.00 O ATOM 1501 CB VAL A 101 18.306 6.136 -8.928 1.00 0.00 C ATOM 1502 CG1 VAL A 101 18.127 7.338 -9.849 1.00 0.00 C ATOM 1503 CG2 VAL A 101 17.162 5.150 -9.149 1.00 0.00 C ATOM 0 H VAL A 101 19.184 3.852 -7.971 1.00 0.00 H new ATOM 0 HA VAL A 101 19.849 5.568 -10.299 1.00 0.00 H new ATOM 0 HB VAL A 101 18.302 6.470 -7.891 1.00 0.00 H new ATOM 0 HG11 VAL A 101 17.178 7.827 -9.628 1.00 0.00 H new ATOM 0 HG12 VAL A 101 18.944 8.042 -9.691 1.00 0.00 H new ATOM 0 HG13 VAL A 101 18.131 7.005 -10.887 1.00 0.00 H new ATOM 0 HG21 VAL A 101 16.213 5.639 -8.928 1.00 0.00 H new ATOM 0 HG22 VAL A 101 17.165 4.815 -10.186 1.00 0.00 H new ATOM 0 HG23 VAL A 101 17.290 4.291 -8.490 1.00 0.00 H new ATOM 1513 N LEU A 102 21.914 6.291 -9.097 1.00 0.00 N ATOM 1514 CA LEU A 102 23.066 6.890 -8.454 1.00 0.00 C ATOM 1515 C LEU A 102 23.185 8.350 -8.865 1.00 0.00 C ATOM 1516 O LEU A 102 23.561 8.650 -9.996 1.00 0.00 O ATOM 1517 CB LEU A 102 24.322 6.115 -8.839 1.00 0.00 C ATOM 1518 CG LEU A 102 24.108 5.435 -10.187 1.00 0.00 C ATOM 1519 CD1 LEU A 102 25.460 5.101 -10.811 1.00 0.00 C ATOM 1520 CD2 LEU A 102 23.309 4.149 -9.987 1.00 0.00 C ATOM 0 H LEU A 102 22.061 6.045 -10.076 1.00 0.00 H new ATOM 0 HA LEU A 102 22.947 6.847 -7.371 1.00 0.00 H new ATOM 0 HB2 LEU A 102 25.176 6.790 -8.892 1.00 0.00 H new ATOM 0 HB3 LEU A 102 24.551 5.370 -8.076 1.00 0.00 H new ATOM 0 HG LEU A 102 23.559 6.106 -10.848 1.00 0.00 H new ATOM 0 HD11 LEU A 102 25.306 4.615 -11.774 1.00 0.00 H new ATOM 0 HD12 LEU A 102 26.031 6.018 -10.954 1.00 0.00 H new ATOM 0 HD13 LEU A 102 26.010 4.431 -10.150 1.00 0.00 H new ATOM 0 HD21 LEU A 102 23.156 3.662 -10.950 1.00 0.00 H new ATOM 0 HD22 LEU A 102 23.858 3.479 -9.325 1.00 0.00 H new ATOM 0 HD23 LEU A 102 22.342 4.387 -9.543 1.00 0.00 H new ATOM 1532 N ILE A 103 22.866 9.259 -7.941 1.00 0.00 N ATOM 1533 CA ILE A 103 22.939 10.682 -8.207 1.00 0.00 C ATOM 1534 C ILE A 103 24.311 11.209 -7.810 1.00 0.00 C ATOM 1535 O ILE A 103 24.707 11.102 -6.652 1.00 0.00 O ATOM 1536 CB ILE A 103 21.838 11.402 -7.435 1.00 0.00 C ATOM 1537 CG1 ILE A 103 20.592 11.512 -8.309 1.00 0.00 C ATOM 1538 CG2 ILE A 103 22.316 12.799 -7.052 1.00 0.00 C ATOM 1539 CD1 ILE A 103 19.349 11.277 -7.455 1.00 0.00 C ATOM 0 H ILE A 103 22.554 9.024 -6.999 1.00 0.00 H new ATOM 0 HA ILE A 103 22.794 10.865 -9.272 1.00 0.00 H new ATOM 0 HB ILE A 103 21.600 10.839 -6.532 1.00 0.00 H new ATOM 0 HG12 ILE A 103 20.546 12.497 -8.773 1.00 0.00 H new ATOM 0 HG13 ILE A 103 20.635 10.781 -9.116 1.00 0.00 H new ATOM 0 HG21 ILE A 103 21.530 13.314 -6.500 1.00 0.00 H new ATOM 0 HG22 ILE A 103 23.206 12.721 -6.427 1.00 0.00 H new ATOM 0 HG23 ILE A 103 22.555 13.362 -7.954 1.00 0.00 H new ATOM 0 HD11 ILE A 103 18.459 11.356 -8.079 1.00 0.00 H new ATOM 0 HD12 ILE A 103 19.395 10.282 -7.012 1.00 0.00 H new ATOM 0 HD13 ILE A 103 19.305 12.025 -6.664 1.00 0.00 H new ATOM 1551 N PHE A 104 25.036 11.779 -8.776 1.00 0.00 N ATOM 1552 CA PHE A 104 26.356 12.319 -8.520 1.00 0.00 C ATOM 1553 C PHE A 104 26.310 13.840 -8.559 1.00 0.00 C ATOM 1554 O PHE A 104 26.032 14.429 -9.601 1.00 0.00 O ATOM 1555 CB PHE A 104 27.334 11.781 -9.561 1.00 0.00 C ATOM 1556 CG PHE A 104 27.319 10.276 -9.681 1.00 0.00 C ATOM 1557 CD1 PHE A 104 26.216 9.630 -10.251 1.00 0.00 C ATOM 1558 CD2 PHE A 104 28.409 9.526 -9.224 1.00 0.00 C ATOM 1559 CE1 PHE A 104 26.203 8.235 -10.365 1.00 0.00 C ATOM 1560 CE2 PHE A 104 28.396 8.130 -9.337 1.00 0.00 C ATOM 1561 CZ PHE A 104 27.293 7.485 -9.907 1.00 0.00 C ATOM 0 H PHE A 104 24.722 11.874 -9.742 1.00 0.00 H new ATOM 0 HA PHE A 104 26.692 12.012 -7.530 1.00 0.00 H new ATOM 0 HB2 PHE A 104 27.096 12.217 -10.531 1.00 0.00 H new ATOM 0 HB3 PHE A 104 28.342 12.107 -9.304 1.00 0.00 H new ATOM 0 HD1 PHE A 104 25.374 10.208 -10.603 1.00 0.00 H new ATOM 0 HD2 PHE A 104 29.260 10.024 -8.784 1.00 0.00 H new ATOM 0 HE1 PHE A 104 25.352 7.737 -10.806 1.00 0.00 H new ATOM 0 HE2 PHE A 104 29.237 7.552 -8.984 1.00 0.00 H new ATOM 0 HZ PHE A 104 27.282 6.409 -9.994 1.00 0.00 H new ATOM 1571 N SER A 105 26.582 14.475 -7.417 1.00 0.00 N ATOM 1572 CA SER A 105 26.570 15.922 -7.327 1.00 0.00 C ATOM 1573 C SER A 105 27.802 16.403 -6.572 1.00 0.00 C ATOM 1574 O SER A 105 28.037 15.992 -5.437 1.00 0.00 O ATOM 1575 CB SER A 105 25.294 16.377 -6.626 1.00 0.00 C ATOM 1576 OG SER A 105 25.467 16.284 -5.230 1.00 0.00 O ATOM 0 H SER A 105 26.813 14.001 -6.544 1.00 0.00 H new ATOM 0 HA SER A 105 26.592 16.352 -8.328 1.00 0.00 H new ATOM 0 HB2 SER A 105 25.058 17.404 -6.907 1.00 0.00 H new ATOM 0 HB3 SER A 105 24.453 15.759 -6.941 1.00 0.00 H new ATOM 0 HG SER A 105 26.302 15.810 -5.035 1.00 0.00 H new ATOM 1582 N ALA A 106 28.589 17.276 -7.205 1.00 0.00 N ATOM 1583 CA ALA A 106 29.788 17.807 -6.593 1.00 0.00 C ATOM 1584 C ALA A 106 29.416 18.719 -5.432 1.00 0.00 C ATOM 1585 O ALA A 106 30.126 19.680 -5.142 1.00 0.00 O ATOM 1586 CB ALA A 106 30.598 18.568 -7.640 1.00 0.00 C ATOM 0 H ALA A 106 28.408 17.626 -8.146 1.00 0.00 H new ATOM 0 HA ALA A 106 30.395 16.989 -6.205 1.00 0.00 H new ATOM 0 HB1 ALA A 106 31.502 18.969 -7.180 1.00 0.00 H new ATOM 0 HB2 ALA A 106 30.872 17.892 -8.450 1.00 0.00 H new ATOM 0 HB3 ALA A 106 29.999 19.387 -8.038 1.00 0.00 H new