USER MOD reduce.3.24.130724 H: found=0, std=0, add=699, rem=0, adj=24 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 81 LYS NZ :NH3+ -130:sc= -5.44! (180deg=-2.62!) USER MOD Set 1.2: A 90 MET CE :methyl -150:sc= -19.9! (180deg=-16.2!) USER MOD Set 2.1: A 71 SER OG : rot 80:sc= -1.37 USER MOD Set 2.2: A 92 SER OG : rot 115:sc= -3.68! USER MOD Set 3.1: A 24 SER OG : rot 30:sc= -0.596 USER MOD Set 3.2: A 54 THR OG1 : rot 91:sc= -0.222 USER MOD Single : A 7 LYS NZ :NH3+ 139:sc= -10.1! (180deg=-16.3!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 140:sc= -0.0425 USER MOD Single : A 15 THR OG1 : rot -41:sc= 0.683 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 ASN :FLIP amide:sc= -0.369 F(o=-5.1!,f=-0.37) USER MOD Single : A 19 GLN : amide:sc= -0.139 X(o=-0.14,f=-0.14) USER MOD Single : A 21 GLN : amide:sc= -0.139 K(o=-0.14,f=-1.2!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.0962 X(o=-0.096,f=-0.46) USER MOD Single : A 27 ASN :FLIP amide:sc= -0.962 F(o=-2!,f=-0.96) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot -12:sc= 0.753 USER MOD Single : A 46 ASN : amide:sc= -7.33! C(o=-7.3!,f=-14!) USER MOD Single : A 49 ASN : amide:sc= -0.0133 X(o=-0.013,f=-0.12) USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.366 USER MOD Single : A 57 HIS : no HD1:sc= -9.29! C(o=-9.3!,f=-9.7!) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 TYR OH : rot -92:sc= 1.02 USER MOD Single : A 66 HIS : no HD1:sc= -13.7! C(o=-14!,f=-18!) USER MOD Single : A 67 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot -8:sc= 0.76! USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 MET CE :methyl -113:sc= -15.1! (180deg=-24.2!) USER MOD Single : A 79 LYS NZ :NH3+ -140:sc= -0.241 (180deg=-1.52!) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 MET CE :methyl -161:sc= 0 (180deg=-0.395) USER MOD Single : A 94 THR OG1 : rot 28:sc= 0.344! USER MOD Single : A 99 ASN : amide:sc= -10.8! C(o=-11!,f=-22!) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 77 N LEU A 5 10.806 -3.408 -3.097 1.00 0.00 N ATOM 78 CA LEU A 5 11.383 -3.653 -4.404 1.00 0.00 C ATOM 79 C LEU A 5 12.652 -2.830 -4.571 1.00 0.00 C ATOM 80 O LEU A 5 12.635 -1.614 -4.391 1.00 0.00 O ATOM 81 CB LEU A 5 10.365 -3.300 -5.484 1.00 0.00 C ATOM 82 CG LEU A 5 9.364 -4.442 -5.631 1.00 0.00 C ATOM 83 CD1 LEU A 5 10.034 -5.617 -6.339 1.00 0.00 C ATOM 84 CD2 LEU A 5 8.888 -4.884 -4.250 1.00 0.00 C ATOM 0 HA LEU A 5 11.642 -4.708 -4.498 1.00 0.00 H new ATOM 0 HB2 LEU A 5 9.846 -2.378 -5.222 1.00 0.00 H new ATOM 0 HB3 LEU A 5 10.872 -3.122 -6.432 1.00 0.00 H new ATOM 0 HG LEU A 5 8.510 -4.103 -6.217 1.00 0.00 H new ATOM 0 HD11 LEU A 5 9.320 -6.434 -6.445 1.00 0.00 H new ATOM 0 HD12 LEU A 5 10.373 -5.302 -7.326 1.00 0.00 H new ATOM 0 HD13 LEU A 5 10.888 -5.956 -5.753 1.00 0.00 H new ATOM 0 HD21 LEU A 5 8.173 -5.700 -4.356 1.00 0.00 H new ATOM 0 HD22 LEU A 5 9.741 -5.223 -3.662 1.00 0.00 H new ATOM 0 HD23 LEU A 5 8.409 -4.045 -3.744 1.00 0.00 H new ATOM 96 N CYS A 6 13.756 -3.498 -4.916 1.00 0.00 N ATOM 97 CA CYS A 6 15.028 -2.828 -5.106 1.00 0.00 C ATOM 98 C CYS A 6 15.837 -3.554 -6.171 1.00 0.00 C ATOM 99 O CYS A 6 15.693 -4.762 -6.348 1.00 0.00 O ATOM 100 CB CYS A 6 15.785 -2.791 -3.782 1.00 0.00 C ATOM 101 SG CYS A 6 14.922 -1.894 -2.467 1.00 0.00 S ATOM 0 H CYS A 6 13.786 -4.506 -5.068 1.00 0.00 H new ATOM 0 HA CYS A 6 14.859 -1.804 -5.441 1.00 0.00 H new ATOM 0 HB2 CYS A 6 15.968 -3.813 -3.451 1.00 0.00 H new ATOM 0 HB3 CYS A 6 16.759 -2.329 -3.945 1.00 0.00 H new ATOM 106 N LYS A 7 16.692 -2.815 -6.881 1.00 0.00 N ATOM 107 CA LYS A 7 17.519 -3.391 -7.922 1.00 0.00 C ATOM 108 C LYS A 7 18.562 -4.311 -7.305 1.00 0.00 C ATOM 109 O LYS A 7 19.019 -4.077 -6.188 1.00 0.00 O ATOM 110 CB LYS A 7 18.186 -2.273 -8.718 1.00 0.00 C ATOM 111 CG LYS A 7 17.571 -2.205 -10.113 1.00 0.00 C ATOM 112 CD LYS A 7 17.626 -0.769 -10.625 1.00 0.00 C ATOM 113 CE LYS A 7 17.359 -0.752 -12.127 1.00 0.00 C ATOM 114 NZ LYS A 7 18.574 -0.393 -12.876 1.00 0.00 N ATOM 0 H LYS A 7 16.824 -1.813 -6.747 1.00 0.00 H new ATOM 0 HA LYS A 7 16.900 -3.981 -8.598 1.00 0.00 H new ATOM 0 HB2 LYS A 7 18.057 -1.320 -8.205 1.00 0.00 H new ATOM 0 HB3 LYS A 7 19.259 -2.453 -8.790 1.00 0.00 H new ATOM 0 HG2 LYS A 7 18.110 -2.865 -10.792 1.00 0.00 H new ATOM 0 HG3 LYS A 7 16.538 -2.552 -10.084 1.00 0.00 H new ATOM 0 HD2 LYS A 7 16.886 -0.159 -10.107 1.00 0.00 H new ATOM 0 HD3 LYS A 7 18.603 -0.334 -10.414 1.00 0.00 H new ATOM 0 HE2 LYS A 7 17.006 -1.732 -12.448 1.00 0.00 H new ATOM 0 HE3 LYS A 7 16.566 -0.039 -12.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 18.648 -0.990 -13.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 18.524 0.606 -13.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 19.409 -0.541 -12.274 1.00 0.00 H new ATOM 128 N PHE A 8 18.940 -5.362 -8.037 1.00 0.00 N ATOM 129 CA PHE A 8 19.926 -6.309 -7.559 1.00 0.00 C ATOM 130 C PHE A 8 20.742 -6.840 -8.730 1.00 0.00 C ATOM 131 O PHE A 8 20.329 -7.785 -9.399 1.00 0.00 O ATOM 132 CB PHE A 8 19.223 -7.449 -6.828 1.00 0.00 C ATOM 133 CG PHE A 8 20.023 -8.014 -5.680 1.00 0.00 C ATOM 134 CD1 PHE A 8 21.010 -8.977 -5.921 1.00 0.00 C ATOM 135 CD2 PHE A 8 19.781 -7.573 -4.373 1.00 0.00 C ATOM 136 CE1 PHE A 8 21.754 -9.500 -4.856 1.00 0.00 C ATOM 137 CE2 PHE A 8 20.525 -8.095 -3.309 1.00 0.00 C ATOM 138 CZ PHE A 8 21.511 -9.058 -3.551 1.00 0.00 C ATOM 0 H PHE A 8 18.571 -5.571 -8.965 1.00 0.00 H new ATOM 0 HA PHE A 8 20.605 -5.814 -6.864 1.00 0.00 H new ATOM 0 HB2 PHE A 8 18.265 -7.092 -6.451 1.00 0.00 H new ATOM 0 HB3 PHE A 8 19.008 -8.247 -7.538 1.00 0.00 H new ATOM 0 HD1 PHE A 8 21.198 -9.317 -6.929 1.00 0.00 H new ATOM 0 HD2 PHE A 8 19.020 -6.830 -4.186 1.00 0.00 H new ATOM 0 HE1 PHE A 8 22.515 -10.244 -5.042 1.00 0.00 H new ATOM 0 HE2 PHE A 8 20.338 -7.755 -2.301 1.00 0.00 H new ATOM 0 HZ PHE A 8 22.085 -9.460 -2.729 1.00 0.00 H new ATOM 148 N CYS A 9 21.903 -6.230 -8.975 1.00 0.00 N ATOM 149 CA CYS A 9 22.770 -6.642 -10.060 1.00 0.00 C ATOM 150 C CYS A 9 24.217 -6.661 -9.586 1.00 0.00 C ATOM 151 O CYS A 9 24.611 -5.842 -8.758 1.00 0.00 O ATOM 152 CB CYS A 9 22.600 -5.686 -11.238 1.00 0.00 C ATOM 153 SG CYS A 9 22.312 -3.966 -10.753 1.00 0.00 S ATOM 0 H CYS A 9 22.259 -5.446 -8.429 1.00 0.00 H new ATOM 0 HA CYS A 9 22.501 -7.648 -10.383 1.00 0.00 H new ATOM 0 HB2 CYS A 9 23.492 -5.732 -11.862 1.00 0.00 H new ATOM 0 HB3 CYS A 9 21.765 -6.025 -11.850 1.00 0.00 H new ATOM 158 N ASP A 10 25.007 -7.599 -10.111 1.00 0.00 N ATOM 159 CA ASP A 10 26.402 -7.721 -9.739 1.00 0.00 C ATOM 160 C ASP A 10 27.189 -6.548 -10.302 1.00 0.00 C ATOM 161 O ASP A 10 26.693 -5.818 -11.158 1.00 0.00 O ATOM 162 CB ASP A 10 26.954 -9.045 -10.261 1.00 0.00 C ATOM 163 CG ASP A 10 25.877 -10.120 -10.260 1.00 0.00 C ATOM 164 OD1 ASP A 10 25.566 -10.612 -9.154 1.00 0.00 O ATOM 165 OD2 ASP A 10 25.385 -10.432 -11.366 1.00 0.00 O ATOM 0 H ASP A 10 24.694 -8.285 -10.798 1.00 0.00 H new ATOM 0 HA ASP A 10 26.496 -7.708 -8.653 1.00 0.00 H new ATOM 0 HB2 ASP A 10 27.338 -8.910 -11.272 1.00 0.00 H new ATOM 0 HB3 ASP A 10 27.792 -9.364 -9.641 1.00 0.00 H new ATOM 170 N VAL A 11 28.423 -6.367 -9.823 1.00 0.00 N ATOM 171 CA VAL A 11 29.271 -5.285 -10.281 1.00 0.00 C ATOM 172 C VAL A 11 29.877 -5.642 -11.630 1.00 0.00 C ATOM 173 O VAL A 11 30.630 -6.608 -11.740 1.00 0.00 O ATOM 174 CB VAL A 11 30.364 -5.025 -9.248 1.00 0.00 C ATOM 175 CG1 VAL A 11 30.382 -6.161 -8.229 1.00 0.00 C ATOM 176 CG2 VAL A 11 31.718 -4.949 -9.950 1.00 0.00 C ATOM 0 H VAL A 11 28.850 -6.964 -9.115 1.00 0.00 H new ATOM 0 HA VAL A 11 28.679 -4.378 -10.400 1.00 0.00 H new ATOM 0 HB VAL A 11 30.165 -4.083 -8.737 1.00 0.00 H new ATOM 0 HG11 VAL A 11 31.163 -5.976 -7.491 1.00 0.00 H new ATOM 0 HG12 VAL A 11 29.415 -6.216 -7.729 1.00 0.00 H new ATOM 0 HG13 VAL A 11 30.581 -7.104 -8.739 1.00 0.00 H new ATOM 0 HG21 VAL A 11 32.500 -4.763 -9.213 1.00 0.00 H new ATOM 0 HG22 VAL A 11 31.917 -5.891 -10.460 1.00 0.00 H new ATOM 0 HG23 VAL A 11 31.705 -4.138 -10.678 1.00 0.00 H new ATOM 186 N LYS A 12 29.547 -4.859 -12.661 1.00 0.00 N ATOM 187 CA LYS A 12 30.060 -5.097 -13.994 1.00 0.00 C ATOM 188 C LYS A 12 30.493 -3.782 -14.625 1.00 0.00 C ATOM 189 O LYS A 12 30.086 -2.711 -14.178 1.00 0.00 O ATOM 190 CB LYS A 12 28.983 -5.774 -14.839 1.00 0.00 C ATOM 191 CG LYS A 12 27.614 -5.519 -14.216 1.00 0.00 C ATOM 192 CD LYS A 12 26.547 -5.531 -15.307 1.00 0.00 C ATOM 193 CE LYS A 12 25.201 -5.912 -14.699 1.00 0.00 C ATOM 194 NZ LYS A 12 24.813 -7.277 -15.087 1.00 0.00 N ATOM 0 H LYS A 12 28.924 -4.055 -12.588 1.00 0.00 H new ATOM 0 HA LYS A 12 30.929 -5.753 -13.941 1.00 0.00 H new ATOM 0 HB2 LYS A 12 29.009 -5.388 -15.858 1.00 0.00 H new ATOM 0 HB3 LYS A 12 29.173 -6.846 -14.900 1.00 0.00 H new ATOM 0 HG2 LYS A 12 27.395 -6.283 -13.470 1.00 0.00 H new ATOM 0 HG3 LYS A 12 27.611 -4.559 -13.700 1.00 0.00 H new ATOM 0 HD2 LYS A 12 26.481 -4.550 -15.777 1.00 0.00 H new ATOM 0 HD3 LYS A 12 26.819 -6.241 -16.088 1.00 0.00 H new ATOM 0 HE2 LYS A 12 25.256 -5.841 -13.613 1.00 0.00 H new ATOM 0 HE3 LYS A 12 24.437 -5.206 -15.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 23.894 -7.511 -14.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 24.739 -7.336 -16.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 25.532 -7.950 -14.753 1.00 0.00 H new ATOM 208 N ALA A 13 31.323 -3.864 -15.668 1.00 0.00 N ATOM 209 CA ALA A 13 31.808 -2.684 -16.354 1.00 0.00 C ATOM 210 C ALA A 13 30.643 -1.758 -16.673 1.00 0.00 C ATOM 211 O ALA A 13 29.681 -2.165 -17.320 1.00 0.00 O ATOM 212 CB ALA A 13 32.534 -3.100 -17.630 1.00 0.00 C ATOM 0 H ALA A 13 31.669 -4.744 -16.050 1.00 0.00 H new ATOM 0 HA ALA A 13 32.508 -2.148 -15.713 1.00 0.00 H new ATOM 0 HB1 ALA A 13 32.899 -2.212 -18.147 1.00 0.00 H new ATOM 0 HB2 ALA A 13 33.376 -3.744 -17.376 1.00 0.00 H new ATOM 0 HB3 ALA A 13 31.846 -3.641 -18.280 1.00 0.00 H new ATOM 218 N THR A 14 30.730 -0.507 -16.216 1.00 0.00 N ATOM 219 CA THR A 14 29.684 0.467 -16.456 1.00 0.00 C ATOM 220 C THR A 14 30.262 1.685 -17.162 1.00 0.00 C ATOM 221 O THR A 14 31.477 1.867 -17.204 1.00 0.00 O ATOM 222 CB THR A 14 29.045 0.863 -15.130 1.00 0.00 C ATOM 223 OG1 THR A 14 27.926 1.687 -15.375 1.00 0.00 O ATOM 224 CG2 THR A 14 30.060 1.625 -14.282 1.00 0.00 C ATOM 0 H THR A 14 31.520 -0.152 -15.677 1.00 0.00 H new ATOM 0 HA THR A 14 28.918 0.031 -17.098 1.00 0.00 H new ATOM 0 HB THR A 14 28.728 -0.034 -14.598 1.00 0.00 H new ATOM 0 HG1 THR A 14 27.201 1.446 -14.761 1.00 0.00 H new ATOM 0 HG21 THR A 14 29.603 1.908 -13.334 1.00 0.00 H new ATOM 0 HG22 THR A 14 30.925 0.990 -14.092 1.00 0.00 H new ATOM 0 HG23 THR A 14 30.378 2.522 -14.814 1.00 0.00 H new ATOM 232 N THR A 15 29.384 2.524 -17.718 1.00 0.00 N ATOM 233 CA THR A 15 29.812 3.720 -18.416 1.00 0.00 C ATOM 234 C THR A 15 29.226 4.952 -17.741 1.00 0.00 C ATOM 235 O THR A 15 29.145 6.017 -18.348 1.00 0.00 O ATOM 236 CB THR A 15 29.369 3.642 -19.875 1.00 0.00 C ATOM 237 OG1 THR A 15 29.941 4.709 -20.597 1.00 0.00 O ATOM 238 CG2 THR A 15 27.848 3.733 -19.951 1.00 0.00 C ATOM 0 H THR A 15 28.373 2.389 -17.694 1.00 0.00 H new ATOM 0 HA THR A 15 30.899 3.795 -18.382 1.00 0.00 H new ATOM 0 HB THR A 15 29.697 2.695 -20.304 1.00 0.00 H new ATOM 0 HG1 THR A 15 29.909 5.525 -20.055 1.00 0.00 H new ATOM 0 HG21 THR A 15 27.532 3.677 -20.993 1.00 0.00 H new ATOM 0 HG22 THR A 15 27.406 2.908 -19.393 1.00 0.00 H new ATOM 0 HG23 THR A 15 27.518 4.679 -19.522 1.00 0.00 H new ATOM 246 N CYS A 16 28.818 4.802 -16.479 1.00 0.00 N ATOM 247 CA CYS A 16 28.243 5.899 -15.726 1.00 0.00 C ATOM 248 C CYS A 16 29.352 6.792 -15.190 1.00 0.00 C ATOM 249 O CYS A 16 30.363 6.301 -14.692 1.00 0.00 O ATOM 250 CB CYS A 16 27.397 5.342 -14.584 1.00 0.00 C ATOM 251 SG CYS A 16 25.787 6.148 -14.401 1.00 0.00 S ATOM 0 H CYS A 16 28.879 3.925 -15.963 1.00 0.00 H new ATOM 0 HA CYS A 16 27.604 6.497 -16.376 1.00 0.00 H new ATOM 0 HB2 CYS A 16 27.242 4.276 -14.747 1.00 0.00 H new ATOM 0 HB3 CYS A 16 27.951 5.444 -13.651 1.00 0.00 H new ATOM 256 N SER A 17 29.162 8.109 -15.294 1.00 0.00 N ATOM 257 CA SER A 17 30.145 9.063 -14.819 1.00 0.00 C ATOM 258 C SER A 17 29.638 9.741 -13.554 1.00 0.00 C ATOM 259 O SER A 17 28.435 9.773 -13.302 1.00 0.00 O ATOM 260 CB SER A 17 30.423 10.092 -15.911 1.00 0.00 C ATOM 261 OG SER A 17 31.311 9.542 -16.858 1.00 0.00 O ATOM 0 H SER A 17 28.330 8.532 -15.706 1.00 0.00 H new ATOM 0 HA SER A 17 31.074 8.545 -14.581 1.00 0.00 H new ATOM 0 HB2 SER A 17 29.492 10.384 -16.396 1.00 0.00 H new ATOM 0 HB3 SER A 17 30.852 10.994 -15.475 1.00 0.00 H new ATOM 0 HG SER A 17 31.489 10.201 -17.561 1.00 0.00 H new ATOM 267 N ASN A 18 30.560 10.288 -12.759 1.00 0.00 N ATOM 268 CA ASN A 18 30.203 10.964 -11.528 1.00 0.00 C ATOM 269 C ASN A 18 29.402 12.220 -11.839 1.00 0.00 C ATOM 270 O ASN A 18 29.871 13.332 -11.611 1.00 0.00 O ATOM 271 CB ASN A 18 31.470 11.310 -10.752 1.00 0.00 C ATOM 272 CG ASN A 18 32.370 12.231 -11.565 1.00 0.00 C ATOM 273 OD1 ASN A 18 32.806 11.762 -12.736 1.00 0.00 O flip ATOM 274 ND2 ASN A 18 32.664 13.346 -11.140 1.00 0.00 N flip ATOM 0 H ASN A 18 31.561 10.271 -12.954 1.00 0.00 H new ATOM 0 HA ASN A 18 29.585 10.307 -10.916 1.00 0.00 H new ATOM 0 HB2 ASN A 18 31.205 11.792 -9.811 1.00 0.00 H new ATOM 0 HB3 ASN A 18 32.009 10.396 -10.502 1.00 0.00 H new ATOM 0 HD21 ASN A 18 32.305 13.659 -10.238 1.00 0.00 H new ATOM 0 HD22 ASN A 18 33.267 13.958 -11.689 1.00 0.00 H new ATOM 281 N GLN A 19 28.187 12.039 -12.363 1.00 0.00 N ATOM 282 CA GLN A 19 27.327 13.155 -12.704 1.00 0.00 C ATOM 283 C GLN A 19 26.241 13.310 -11.649 1.00 0.00 C ATOM 284 O GLN A 19 25.862 12.340 -10.997 1.00 0.00 O ATOM 285 CB GLN A 19 26.715 12.920 -14.082 1.00 0.00 C ATOM 286 CG GLN A 19 27.623 12.003 -14.894 1.00 0.00 C ATOM 287 CD GLN A 19 27.661 12.430 -16.354 1.00 0.00 C ATOM 288 OE1 GLN A 19 26.829 12.001 -17.150 1.00 0.00 O ATOM 289 NE2 GLN A 19 28.631 13.277 -16.704 1.00 0.00 N ATOM 0 H GLN A 19 27.783 11.123 -12.558 1.00 0.00 H new ATOM 0 HA GLN A 19 27.911 14.075 -12.732 1.00 0.00 H new ATOM 0 HB2 GLN A 19 25.726 12.473 -13.981 1.00 0.00 H new ATOM 0 HB3 GLN A 19 26.584 13.870 -14.600 1.00 0.00 H new ATOM 0 HG2 GLN A 19 28.631 12.022 -14.479 1.00 0.00 H new ATOM 0 HG3 GLN A 19 27.268 10.975 -14.821 1.00 0.00 H new ATOM 0 HE21 GLN A 19 29.298 13.605 -16.006 1.00 0.00 H new ATOM 0 HE22 GLN A 19 28.705 13.597 -17.670 1.00 0.00 H new ATOM 298 N ASP A 20 25.738 14.536 -11.485 1.00 0.00 N ATOM 299 CA ASP A 20 24.700 14.813 -10.512 1.00 0.00 C ATOM 300 C ASP A 20 23.659 13.702 -10.541 1.00 0.00 C ATOM 301 O ASP A 20 23.021 13.422 -9.529 1.00 0.00 O ATOM 302 CB ASP A 20 24.060 16.163 -10.824 1.00 0.00 C ATOM 303 CG ASP A 20 25.079 17.287 -10.708 1.00 0.00 C ATOM 304 OD1 ASP A 20 25.649 17.426 -9.604 1.00 0.00 O ATOM 305 OD2 ASP A 20 25.270 17.987 -11.727 1.00 0.00 O ATOM 0 H ASP A 20 26.040 15.350 -12.020 1.00 0.00 H new ATOM 0 HA ASP A 20 25.132 14.853 -9.512 1.00 0.00 H new ATOM 0 HB2 ASP A 20 23.642 16.148 -11.831 1.00 0.00 H new ATOM 0 HB3 ASP A 20 23.232 16.345 -10.138 1.00 0.00 H new ATOM 310 N GLN A 21 23.489 13.071 -11.704 1.00 0.00 N ATOM 311 CA GLN A 21 22.527 11.998 -11.857 1.00 0.00 C ATOM 312 C GLN A 21 23.101 10.913 -12.759 1.00 0.00 C ATOM 313 O GLN A 21 23.541 11.195 -13.871 1.00 0.00 O ATOM 314 CB GLN A 21 21.232 12.556 -12.441 1.00 0.00 C ATOM 315 CG GLN A 21 20.114 11.533 -12.274 1.00 0.00 C ATOM 316 CD GLN A 21 19.072 11.681 -13.373 1.00 0.00 C ATOM 317 OE1 GLN A 21 19.414 11.945 -14.523 1.00 0.00 O ATOM 318 NE2 GLN A 21 17.797 11.513 -13.016 1.00 0.00 N ATOM 0 H GLN A 21 24.011 13.292 -12.552 1.00 0.00 H new ATOM 0 HA GLN A 21 22.312 11.557 -10.884 1.00 0.00 H new ATOM 0 HB2 GLN A 21 20.966 13.486 -11.939 1.00 0.00 H new ATOM 0 HB3 GLN A 21 21.369 12.791 -13.496 1.00 0.00 H new ATOM 0 HG2 GLN A 21 20.531 10.526 -12.296 1.00 0.00 H new ATOM 0 HG3 GLN A 21 19.641 11.661 -11.300 1.00 0.00 H new ATOM 0 HE21 GLN A 21 17.563 11.295 -12.047 1.00 0.00 H new ATOM 0 HE22 GLN A 21 17.057 11.603 -13.712 1.00 0.00 H new ATOM 327 N CYS A 22 23.096 9.669 -12.275 1.00 0.00 N ATOM 328 CA CYS A 22 23.613 8.550 -13.035 1.00 0.00 C ATOM 329 C CYS A 22 22.696 7.347 -12.871 1.00 0.00 C ATOM 330 O CYS A 22 21.900 7.293 -11.936 1.00 0.00 O ATOM 331 CB CYS A 22 25.025 8.222 -12.559 1.00 0.00 C ATOM 332 SG CYS A 22 26.251 8.148 -13.888 1.00 0.00 S ATOM 0 H CYS A 22 22.735 9.420 -11.354 1.00 0.00 H new ATOM 0 HA CYS A 22 23.651 8.811 -14.093 1.00 0.00 H new ATOM 0 HB2 CYS A 22 25.336 8.973 -11.833 1.00 0.00 H new ATOM 0 HB3 CYS A 22 25.009 7.264 -12.040 1.00 0.00 H new ATOM 337 N THR A 23 22.807 6.379 -13.784 1.00 0.00 N ATOM 338 CA THR A 23 21.988 5.186 -13.733 1.00 0.00 C ATOM 339 C THR A 23 22.860 3.969 -13.454 1.00 0.00 C ATOM 340 O THR A 23 24.024 3.933 -13.845 1.00 0.00 O ATOM 341 CB THR A 23 21.241 5.025 -15.054 1.00 0.00 C ATOM 342 OG1 THR A 23 20.524 6.205 -15.335 1.00 0.00 O ATOM 343 CG2 THR A 23 20.270 3.852 -14.951 1.00 0.00 C ATOM 0 H THR A 23 23.461 6.407 -14.566 1.00 0.00 H new ATOM 0 HA THR A 23 21.260 5.277 -12.927 1.00 0.00 H new ATOM 0 HB THR A 23 21.956 4.835 -15.854 1.00 0.00 H new ATOM 0 HG1 THR A 23 20.046 6.103 -16.184 1.00 0.00 H new ATOM 0 HG21 THR A 23 19.737 3.737 -15.895 1.00 0.00 H new ATOM 0 HG22 THR A 23 20.824 2.939 -14.734 1.00 0.00 H new ATOM 0 HG23 THR A 23 19.555 4.041 -14.151 1.00 0.00 H new ATOM 351 N SER A 24 22.291 2.971 -12.775 1.00 0.00 N ATOM 352 CA SER A 24 23.014 1.760 -12.449 1.00 0.00 C ATOM 353 C SER A 24 23.003 0.814 -13.641 1.00 0.00 C ATOM 354 O SER A 24 23.852 -0.068 -13.746 1.00 0.00 O ATOM 355 CB SER A 24 22.378 1.100 -11.228 1.00 0.00 C ATOM 356 OG SER A 24 22.704 1.837 -10.072 1.00 0.00 O ATOM 0 H SER A 24 21.327 2.987 -12.443 1.00 0.00 H new ATOM 0 HA SER A 24 24.050 2.004 -12.215 1.00 0.00 H new ATOM 0 HB2 SER A 24 21.296 1.053 -11.349 1.00 0.00 H new ATOM 0 HB3 SER A 24 22.733 0.074 -11.130 1.00 0.00 H new ATOM 0 HG SER A 24 22.822 2.781 -10.308 1.00 0.00 H new ATOM 362 N ASN A 25 22.036 1.001 -14.543 1.00 0.00 N ATOM 363 CA ASN A 25 21.920 0.166 -15.721 1.00 0.00 C ATOM 364 C ASN A 25 21.392 -1.208 -15.335 1.00 0.00 C ATOM 365 O ASN A 25 21.338 -2.112 -16.165 1.00 0.00 O ATOM 366 CB ASN A 25 23.284 0.051 -16.397 1.00 0.00 C ATOM 367 CG ASN A 25 23.136 -0.364 -17.853 1.00 0.00 C ATOM 368 OD1 ASN A 25 23.117 -1.553 -18.163 1.00 0.00 O ATOM 369 ND2 ASN A 25 23.030 0.620 -18.749 1.00 0.00 N ATOM 0 H ASN A 25 21.324 1.728 -14.471 1.00 0.00 H new ATOM 0 HA ASN A 25 21.217 0.617 -16.421 1.00 0.00 H new ATOM 0 HB2 ASN A 25 23.805 1.007 -16.338 1.00 0.00 H new ATOM 0 HB3 ASN A 25 23.896 -0.679 -15.867 1.00 0.00 H new ATOM 0 HD21 ASN A 25 22.928 0.399 -19.740 1.00 0.00 H new ATOM 0 HD22 ASN A 25 23.051 1.593 -18.443 1.00 0.00 H new ATOM 376 N CYS A 26 21.000 -1.361 -14.068 1.00 0.00 N ATOM 377 CA CYS A 26 20.478 -2.620 -13.575 1.00 0.00 C ATOM 378 C CYS A 26 19.146 -2.922 -14.247 1.00 0.00 C ATOM 379 O CYS A 26 18.524 -2.033 -14.824 1.00 0.00 O ATOM 380 CB CYS A 26 20.317 -2.545 -12.060 1.00 0.00 C ATOM 381 SG CYS A 26 20.209 -4.161 -11.251 1.00 0.00 S ATOM 0 H CYS A 26 21.038 -0.620 -13.368 1.00 0.00 H new ATOM 0 HA CYS A 26 21.173 -3.426 -13.812 1.00 0.00 H new ATOM 0 HB2 CYS A 26 21.161 -1.996 -11.642 1.00 0.00 H new ATOM 0 HB3 CYS A 26 19.419 -1.973 -11.828 1.00 0.00 H new ATOM 386 N ASN A 27 18.707 -4.180 -14.167 1.00 0.00 N ATOM 387 CA ASN A 27 17.452 -4.589 -14.765 1.00 0.00 C ATOM 388 C ASN A 27 16.851 -5.741 -13.973 1.00 0.00 C ATOM 389 O ASN A 27 16.154 -6.586 -14.530 1.00 0.00 O ATOM 390 CB ASN A 27 17.692 -4.999 -16.216 1.00 0.00 C ATOM 391 CG ASN A 27 18.784 -6.054 -16.308 1.00 0.00 C ATOM 392 OD1 ASN A 27 18.613 -7.160 -15.580 1.00 0.00 O flip ATOM 393 ND2 ASN A 27 19.766 -5.872 -17.024 1.00 0.00 N flip ATOM 0 H ASN A 27 19.210 -4.929 -13.691 1.00 0.00 H new ATOM 0 HA ASN A 27 16.748 -3.757 -14.746 1.00 0.00 H new ATOM 0 HB2 ASN A 27 16.769 -5.387 -16.646 1.00 0.00 H new ATOM 0 HB3 ASN A 27 17.974 -4.125 -16.803 1.00 0.00 H new ATOM 0 HD21 ASN A 27 19.852 -5.010 -17.562 1.00 0.00 H new ATOM 0 HD22 ASN A 27 20.495 -6.583 -17.080 1.00 0.00 H new ATOM 400 N ILE A 28 17.123 -5.771 -12.665 1.00 0.00 N ATOM 401 CA ILE A 28 16.608 -6.813 -11.799 1.00 0.00 C ATOM 402 C ILE A 28 15.800 -6.192 -10.670 1.00 0.00 C ATOM 403 O ILE A 28 16.075 -5.071 -10.249 1.00 0.00 O ATOM 404 CB ILE A 28 17.770 -7.633 -11.246 1.00 0.00 C ATOM 405 CG1 ILE A 28 18.600 -8.185 -12.402 1.00 0.00 C ATOM 406 CG2 ILE A 28 17.225 -8.790 -10.413 1.00 0.00 C ATOM 407 CD1 ILE A 28 19.554 -9.255 -11.878 1.00 0.00 C ATOM 0 H ILE A 28 17.701 -5.078 -12.189 1.00 0.00 H new ATOM 0 HA ILE A 28 15.953 -7.473 -12.367 1.00 0.00 H new ATOM 0 HB ILE A 28 18.397 -6.998 -10.620 1.00 0.00 H new ATOM 0 HG12 ILE A 28 17.946 -8.608 -13.164 1.00 0.00 H new ATOM 0 HG13 ILE A 28 19.163 -7.381 -12.876 1.00 0.00 H new ATOM 0 HG21 ILE A 28 18.055 -9.376 -10.018 1.00 0.00 H new ATOM 0 HG22 ILE A 28 16.633 -8.396 -9.587 1.00 0.00 H new ATOM 0 HG23 ILE A 28 16.598 -9.425 -11.039 1.00 0.00 H new ATOM 0 HD11 ILE A 28 20.147 -9.649 -12.703 1.00 0.00 H new ATOM 0 HD12 ILE A 28 20.217 -8.817 -11.132 1.00 0.00 H new ATOM 0 HD13 ILE A 28 18.980 -10.063 -11.424 1.00 0.00 H new ATOM 419 N THR A 29 14.797 -6.924 -10.178 1.00 0.00 N ATOM 420 CA THR A 29 13.957 -6.438 -9.101 1.00 0.00 C ATOM 421 C THR A 29 13.990 -7.417 -7.937 1.00 0.00 C ATOM 422 O THR A 29 13.332 -8.455 -7.974 1.00 0.00 O ATOM 423 CB THR A 29 12.532 -6.254 -9.612 1.00 0.00 C ATOM 424 OG1 THR A 29 12.564 -5.899 -10.977 1.00 0.00 O ATOM 425 CG2 THR A 29 11.843 -5.150 -8.815 1.00 0.00 C ATOM 0 H THR A 29 14.554 -7.856 -10.515 1.00 0.00 H new ATOM 0 HA THR A 29 14.331 -5.476 -8.750 1.00 0.00 H new ATOM 0 HB THR A 29 11.980 -7.186 -9.492 1.00 0.00 H new ATOM 0 HG1 THR A 29 11.648 -5.782 -11.306 1.00 0.00 H new ATOM 0 HG21 THR A 29 10.825 -5.019 -9.181 1.00 0.00 H new ATOM 0 HG22 THR A 29 11.818 -5.424 -7.760 1.00 0.00 H new ATOM 0 HG23 THR A 29 12.394 -4.217 -8.934 1.00 0.00 H new ATOM 433 N SER A 30 14.759 -7.083 -6.898 1.00 0.00 N ATOM 434 CA SER A 30 14.874 -7.931 -5.728 1.00 0.00 C ATOM 435 C SER A 30 13.934 -7.435 -4.638 1.00 0.00 C ATOM 436 O SER A 30 13.906 -6.245 -4.332 1.00 0.00 O ATOM 437 CB SER A 30 16.319 -7.929 -5.239 1.00 0.00 C ATOM 438 OG SER A 30 16.687 -6.619 -4.868 1.00 0.00 O ATOM 0 H SER A 30 15.310 -6.226 -6.851 1.00 0.00 H new ATOM 0 HA SER A 30 14.594 -8.952 -5.985 1.00 0.00 H new ATOM 0 HB2 SER A 30 16.428 -8.603 -4.390 1.00 0.00 H new ATOM 0 HB3 SER A 30 16.980 -8.296 -6.024 1.00 0.00 H new ATOM 0 HG SER A 30 16.005 -5.987 -5.179 1.00 0.00 H new ATOM 444 N ILE A 31 13.164 -8.353 -4.051 1.00 0.00 N ATOM 445 CA ILE A 31 12.229 -8.011 -2.997 1.00 0.00 C ATOM 446 C ILE A 31 12.907 -8.153 -1.641 1.00 0.00 C ATOM 447 O ILE A 31 13.283 -9.255 -1.246 1.00 0.00 O ATOM 448 CB ILE A 31 11.005 -8.917 -3.089 1.00 0.00 C ATOM 449 CG1 ILE A 31 11.358 -10.171 -3.884 1.00 0.00 C ATOM 450 CG2 ILE A 31 9.873 -8.172 -3.788 1.00 0.00 C ATOM 451 CD1 ILE A 31 12.411 -10.974 -3.127 1.00 0.00 C ATOM 0 H ILE A 31 13.176 -9.343 -4.295 1.00 0.00 H new ATOM 0 HA ILE A 31 11.906 -6.976 -3.113 1.00 0.00 H new ATOM 0 HB ILE A 31 10.687 -9.202 -2.086 1.00 0.00 H new ATOM 0 HG12 ILE A 31 10.466 -10.778 -4.041 1.00 0.00 H new ATOM 0 HG13 ILE A 31 11.734 -9.896 -4.869 1.00 0.00 H new ATOM 0 HG21 ILE A 31 8.998 -8.819 -3.854 1.00 0.00 H new ATOM 0 HG22 ILE A 31 9.621 -7.277 -3.219 1.00 0.00 H new ATOM 0 HG23 ILE A 31 10.190 -7.887 -4.791 1.00 0.00 H new ATOM 0 HD11 ILE A 31 12.663 -11.870 -3.695 1.00 0.00 H new ATOM 0 HD12 ILE A 31 13.305 -10.366 -2.993 1.00 0.00 H new ATOM 0 HD13 ILE A 31 12.018 -11.261 -2.152 1.00 0.00 H new ATOM 463 N CYS A 32 13.062 -7.035 -0.929 1.00 0.00 N ATOM 464 CA CYS A 32 13.693 -7.041 0.376 1.00 0.00 C ATOM 465 C CYS A 32 12.658 -7.358 1.446 1.00 0.00 C ATOM 466 O CYS A 32 12.130 -6.454 2.090 1.00 0.00 O ATOM 467 CB CYS A 32 14.339 -5.683 0.634 1.00 0.00 C ATOM 468 SG CYS A 32 15.039 -4.909 -0.845 1.00 0.00 S ATOM 0 H CYS A 32 12.755 -6.114 -1.243 1.00 0.00 H new ATOM 0 HA CYS A 32 14.467 -7.808 0.408 1.00 0.00 H new ATOM 0 HB2 CYS A 32 13.594 -5.013 1.064 1.00 0.00 H new ATOM 0 HB3 CYS A 32 15.127 -5.802 1.377 1.00 0.00 H new ATOM 538 N GLU A 37 15.605 -3.661 4.811 1.00 0.00 N ATOM 539 CA GLU A 37 16.494 -3.688 3.667 1.00 0.00 C ATOM 540 C GLU A 37 16.087 -2.614 2.667 1.00 0.00 C ATOM 541 O GLU A 37 14.929 -2.544 2.263 1.00 0.00 O ATOM 542 CB GLU A 37 16.450 -5.070 3.023 1.00 0.00 C ATOM 543 CG GLU A 37 17.504 -5.965 3.667 1.00 0.00 C ATOM 544 CD GLU A 37 17.570 -7.317 2.969 1.00 0.00 C ATOM 545 OE1 GLU A 37 16.986 -7.415 1.869 1.00 0.00 O ATOM 546 OE2 GLU A 37 18.205 -8.224 3.548 1.00 0.00 O ATOM 0 HA GLU A 37 17.514 -3.484 3.992 1.00 0.00 H new ATOM 0 HB2 GLU A 37 15.460 -5.509 3.146 1.00 0.00 H new ATOM 0 HB3 GLU A 37 16.632 -4.989 1.951 1.00 0.00 H new ATOM 0 HG2 GLU A 37 18.478 -5.479 3.619 1.00 0.00 H new ATOM 0 HG3 GLU A 37 17.270 -6.107 4.722 1.00 0.00 H new ATOM 553 N VAL A 38 17.047 -1.775 2.268 1.00 0.00 N ATOM 554 CA VAL A 38 16.787 -0.712 1.320 1.00 0.00 C ATOM 555 C VAL A 38 17.601 -0.941 0.055 1.00 0.00 C ATOM 556 O VAL A 38 18.482 -1.797 0.027 1.00 0.00 O ATOM 557 CB VAL A 38 17.139 0.631 1.954 1.00 0.00 C ATOM 558 CG1 VAL A 38 15.987 1.093 2.839 1.00 0.00 C ATOM 559 CG2 VAL A 38 18.401 0.479 2.799 1.00 0.00 C ATOM 0 H VAL A 38 18.012 -1.820 2.594 1.00 0.00 H new ATOM 0 HA VAL A 38 15.730 -0.707 1.053 1.00 0.00 H new ATOM 0 HB VAL A 38 17.313 1.368 1.170 1.00 0.00 H new ATOM 0 HG11 VAL A 38 16.238 2.052 3.292 1.00 0.00 H new ATOM 0 HG12 VAL A 38 15.086 1.201 2.236 1.00 0.00 H new ATOM 0 HG13 VAL A 38 15.812 0.356 3.623 1.00 0.00 H new ATOM 0 HG21 VAL A 38 18.653 1.438 3.252 1.00 0.00 H new ATOM 0 HG22 VAL A 38 18.227 -0.258 3.583 1.00 0.00 H new ATOM 0 HG23 VAL A 38 19.225 0.149 2.166 1.00 0.00 H new ATOM 569 N CYS A 39 17.303 -0.172 -0.996 1.00 0.00 N ATOM 570 CA CYS A 39 18.007 -0.294 -2.257 1.00 0.00 C ATOM 571 C CYS A 39 19.202 0.648 -2.273 1.00 0.00 C ATOM 572 O CYS A 39 19.050 1.851 -2.068 1.00 0.00 O ATOM 573 CB CYS A 39 17.052 0.024 -3.404 1.00 0.00 C ATOM 574 SG CYS A 39 15.301 -0.104 -2.960 1.00 0.00 S ATOM 0 H CYS A 39 16.574 0.542 -0.989 1.00 0.00 H new ATOM 0 HA CYS A 39 18.372 -1.314 -2.378 1.00 0.00 H new ATOM 0 HB2 CYS A 39 17.253 1.034 -3.761 1.00 0.00 H new ATOM 0 HB3 CYS A 39 17.257 -0.654 -4.233 1.00 0.00 H new ATOM 579 N ALA A 40 20.394 0.099 -2.518 1.00 0.00 N ATOM 580 CA ALA A 40 21.607 0.891 -2.558 1.00 0.00 C ATOM 581 C ALA A 40 22.459 0.469 -3.746 1.00 0.00 C ATOM 582 O ALA A 40 22.626 -0.722 -4.001 1.00 0.00 O ATOM 583 CB ALA A 40 22.374 0.712 -1.252 1.00 0.00 C ATOM 0 H ALA A 40 20.536 -0.896 -2.691 1.00 0.00 H new ATOM 0 HA ALA A 40 21.354 1.945 -2.674 1.00 0.00 H new ATOM 0 HB1 ALA A 40 23.287 1.307 -1.281 1.00 0.00 H new ATOM 0 HB2 ALA A 40 21.754 1.040 -0.418 1.00 0.00 H new ATOM 0 HB3 ALA A 40 22.631 -0.339 -1.122 1.00 0.00 H new ATOM 589 N ALA A 41 22.999 1.449 -4.474 1.00 0.00 N ATOM 590 CA ALA A 41 23.828 1.175 -5.630 1.00 0.00 C ATOM 591 C ALA A 41 25.165 1.888 -5.486 1.00 0.00 C ATOM 592 O ALA A 41 25.208 3.070 -5.148 1.00 0.00 O ATOM 593 CB ALA A 41 23.105 1.632 -6.893 1.00 0.00 C ATOM 0 H ALA A 41 22.871 2.441 -4.275 1.00 0.00 H new ATOM 0 HA ALA A 41 24.016 0.104 -5.702 1.00 0.00 H new ATOM 0 HB1 ALA A 41 23.728 1.426 -7.763 1.00 0.00 H new ATOM 0 HB2 ALA A 41 22.161 1.094 -6.987 1.00 0.00 H new ATOM 0 HB3 ALA A 41 22.908 2.702 -6.832 1.00 0.00 H new ATOM 599 N VAL A 42 26.259 1.168 -5.744 1.00 0.00 N ATOM 600 CA VAL A 42 27.589 1.734 -5.642 1.00 0.00 C ATOM 601 C VAL A 42 28.255 1.733 -7.011 1.00 0.00 C ATOM 602 O VAL A 42 28.282 0.710 -7.691 1.00 0.00 O ATOM 603 CB VAL A 42 28.409 0.925 -4.641 1.00 0.00 C ATOM 604 CG1 VAL A 42 27.514 0.490 -3.484 1.00 0.00 C ATOM 605 CG2 VAL A 42 28.983 -0.308 -5.332 1.00 0.00 C ATOM 0 H VAL A 42 26.240 0.188 -6.026 1.00 0.00 H new ATOM 0 HA VAL A 42 27.525 2.764 -5.291 1.00 0.00 H new ATOM 0 HB VAL A 42 29.224 1.539 -4.259 1.00 0.00 H new ATOM 0 HG11 VAL A 42 28.099 -0.088 -2.769 1.00 0.00 H new ATOM 0 HG12 VAL A 42 27.104 1.371 -2.990 1.00 0.00 H new ATOM 0 HG13 VAL A 42 26.698 -0.124 -3.866 1.00 0.00 H new ATOM 0 HG21 VAL A 42 29.569 -0.886 -4.617 1.00 0.00 H new ATOM 0 HG22 VAL A 42 28.168 -0.923 -5.715 1.00 0.00 H new ATOM 0 HG23 VAL A 42 29.623 0.003 -6.158 1.00 0.00 H new ATOM 615 N TRP A 43 28.795 2.885 -7.414 1.00 0.00 N ATOM 616 CA TRP A 43 29.458 3.007 -8.698 1.00 0.00 C ATOM 617 C TRP A 43 30.956 3.183 -8.492 1.00 0.00 C ATOM 618 O TRP A 43 31.393 4.157 -7.884 1.00 0.00 O ATOM 619 CB TRP A 43 28.874 4.192 -9.460 1.00 0.00 C ATOM 620 CG TRP A 43 29.628 4.582 -10.691 1.00 0.00 C ATOM 621 CD1 TRP A 43 29.374 4.131 -11.938 1.00 0.00 C ATOM 622 CD2 TRP A 43 30.759 5.497 -10.821 1.00 0.00 C ATOM 623 NE1 TRP A 43 30.264 4.698 -12.825 1.00 0.00 N ATOM 624 CE2 TRP A 43 31.142 5.552 -12.188 1.00 0.00 C ATOM 625 CE3 TRP A 43 31.501 6.286 -9.924 1.00 0.00 C ATOM 626 CZ2 TRP A 43 32.201 6.342 -12.642 1.00 0.00 C ATOM 627 CZ3 TRP A 43 32.565 7.084 -10.368 1.00 0.00 C ATOM 628 CH2 TRP A 43 32.917 7.115 -11.722 1.00 0.00 C ATOM 0 H TRP A 43 28.782 3.743 -6.863 1.00 0.00 H new ATOM 0 HA TRP A 43 29.297 2.101 -9.282 1.00 0.00 H new ATOM 0 HB2 TRP A 43 27.848 3.955 -9.740 1.00 0.00 H new ATOM 0 HB3 TRP A 43 28.832 5.051 -8.790 1.00 0.00 H new ATOM 0 HD1 TRP A 43 28.593 3.433 -12.200 1.00 0.00 H new ATOM 0 HE1 TRP A 43 30.273 4.510 -13.827 1.00 0.00 H new ATOM 0 HE3 TRP A 43 31.247 6.277 -8.874 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 32.463 6.356 -13.690 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 33.118 7.681 -9.658 1.00 0.00 H new ATOM 0 HH2 TRP A 43 33.738 7.733 -12.055 1.00 0.00 H new ATOM 639 N ARG A 44 31.743 2.233 -9.002 1.00 0.00 N ATOM 640 CA ARG A 44 33.186 2.285 -8.873 1.00 0.00 C ATOM 641 C ARG A 44 33.813 2.618 -10.220 1.00 0.00 C ATOM 642 O ARG A 44 33.286 2.237 -11.263 1.00 0.00 O ATOM 643 CB ARG A 44 33.697 0.943 -8.357 1.00 0.00 C ATOM 644 CG ARG A 44 32.513 0.065 -7.962 1.00 0.00 C ATOM 645 CD ARG A 44 31.931 0.560 -6.641 1.00 0.00 C ATOM 646 NE ARG A 44 31.713 -0.551 -5.714 1.00 0.00 N ATOM 647 CZ ARG A 44 32.660 -1.454 -5.428 1.00 0.00 C ATOM 648 NH1 ARG A 44 33.869 -1.361 -5.999 1.00 0.00 N ATOM 649 NH2 ARG A 44 32.399 -2.450 -4.571 1.00 0.00 N ATOM 0 H ARG A 44 31.396 1.419 -9.509 1.00 0.00 H new ATOM 0 HA ARG A 44 33.464 3.064 -8.163 1.00 0.00 H new ATOM 0 HB2 ARG A 44 34.290 0.448 -9.126 1.00 0.00 H new ATOM 0 HB3 ARG A 44 34.352 1.097 -7.499 1.00 0.00 H new ATOM 0 HG2 ARG A 44 31.751 0.092 -8.741 1.00 0.00 H new ATOM 0 HG3 ARG A 44 32.832 -0.973 -7.865 1.00 0.00 H new ATOM 0 HD2 ARG A 44 32.608 1.286 -6.191 1.00 0.00 H new ATOM 0 HD3 ARG A 44 30.988 1.075 -6.825 1.00 0.00 H new ATOM 0 HE ARG A 44 30.801 -0.642 -5.266 1.00 0.00 H new ATOM 0 HH11 ARG A 44 34.068 -0.603 -6.651 1.00 0.00 H new ATOM 0 HH12 ARG A 44 34.590 -2.049 -5.781 1.00 0.00 H new ATOM 0 HH21 ARG A 44 31.479 -2.521 -4.136 1.00 0.00 H new ATOM 0 HH22 ARG A 44 33.120 -3.138 -4.353 1.00 0.00 H new ATOM 663 N ARG A 45 34.941 3.331 -10.195 1.00 0.00 N ATOM 664 CA ARG A 45 35.632 3.712 -11.409 1.00 0.00 C ATOM 665 C ARG A 45 37.137 3.620 -11.197 1.00 0.00 C ATOM 666 O ARG A 45 37.714 4.426 -10.471 1.00 0.00 O ATOM 667 CB ARG A 45 35.228 5.131 -11.801 1.00 0.00 C ATOM 668 CG ARG A 45 35.670 6.104 -10.711 1.00 0.00 C ATOM 669 CD ARG A 45 36.905 6.866 -11.181 1.00 0.00 C ATOM 670 NE ARG A 45 36.655 8.307 -11.205 1.00 0.00 N ATOM 671 CZ ARG A 45 37.450 9.172 -11.850 1.00 0.00 C ATOM 672 NH1 ARG A 45 38.527 8.726 -12.512 1.00 0.00 N ATOM 673 NH2 ARG A 45 37.169 10.481 -11.835 1.00 0.00 N ATOM 0 H ARG A 45 35.390 3.653 -9.338 1.00 0.00 H new ATOM 0 HA ARG A 45 35.356 3.034 -12.216 1.00 0.00 H new ATOM 0 HB2 ARG A 45 35.686 5.401 -12.753 1.00 0.00 H new ATOM 0 HB3 ARG A 45 34.148 5.188 -11.939 1.00 0.00 H new ATOM 0 HG2 ARG A 45 34.864 6.801 -10.482 1.00 0.00 H new ATOM 0 HG3 ARG A 45 35.892 5.561 -9.792 1.00 0.00 H new ATOM 0 HD2 ARG A 45 37.744 6.650 -10.519 1.00 0.00 H new ATOM 0 HD3 ARG A 45 37.189 6.526 -12.177 1.00 0.00 H new ATOM 0 HE ARG A 45 35.840 8.669 -10.709 1.00 0.00 H new ATOM 0 HH11 ARG A 45 38.741 7.729 -12.525 1.00 0.00 H new ATOM 0 HH12 ARG A 45 39.132 9.384 -13.003 1.00 0.00 H new ATOM 0 HH21 ARG A 45 36.349 10.821 -11.332 1.00 0.00 H new ATOM 0 HH22 ARG A 45 37.775 11.138 -12.326 1.00 0.00 H new ATOM 687 N ASN A 46 37.772 2.634 -11.835 1.00 0.00 N ATOM 688 CA ASN A 46 39.203 2.443 -11.713 1.00 0.00 C ATOM 689 C ASN A 46 39.886 2.794 -13.026 1.00 0.00 C ATOM 690 O ASN A 46 39.579 2.213 -14.065 1.00 0.00 O ATOM 691 CB ASN A 46 39.490 0.995 -11.323 1.00 0.00 C ATOM 692 CG ASN A 46 38.894 0.031 -12.340 1.00 0.00 C ATOM 693 OD1 ASN A 46 39.508 -0.250 -13.366 1.00 0.00 O ATOM 694 ND2 ASN A 46 37.694 -0.477 -12.050 1.00 0.00 N ATOM 0 H ASN A 46 37.308 1.958 -12.441 1.00 0.00 H new ATOM 0 HA ASN A 46 39.596 3.100 -10.937 1.00 0.00 H new ATOM 0 HB2 ASN A 46 40.567 0.839 -11.255 1.00 0.00 H new ATOM 0 HB3 ASN A 46 39.075 0.791 -10.336 1.00 0.00 H new ATOM 0 HD21 ASN A 46 37.247 -1.130 -12.694 1.00 0.00 H new ATOM 0 HD22 ASN A 46 37.224 -0.212 -11.184 1.00 0.00 H new ATOM 701 N ASP A 47 40.818 3.747 -12.977 1.00 0.00 N ATOM 702 CA ASP A 47 41.541 4.172 -14.160 1.00 0.00 C ATOM 703 C ASP A 47 40.564 4.409 -15.303 1.00 0.00 C ATOM 704 O ASP A 47 39.903 5.442 -15.353 1.00 0.00 O ATOM 705 CB ASP A 47 42.568 3.109 -14.536 1.00 0.00 C ATOM 706 CG ASP A 47 43.803 3.742 -15.161 1.00 0.00 C ATOM 707 OD1 ASP A 47 44.640 4.244 -14.380 1.00 0.00 O ATOM 708 OD2 ASP A 47 43.887 3.713 -16.408 1.00 0.00 O ATOM 0 H ASP A 47 41.085 4.237 -12.123 1.00 0.00 H new ATOM 0 HA ASP A 47 42.064 5.106 -13.957 1.00 0.00 H new ATOM 0 HB2 ASP A 47 42.854 2.544 -13.649 1.00 0.00 H new ATOM 0 HB3 ASP A 47 42.124 2.401 -15.236 1.00 0.00 H new ATOM 713 N GLU A 48 40.475 3.445 -16.223 1.00 0.00 N ATOM 714 CA GLU A 48 39.581 3.554 -17.357 1.00 0.00 C ATOM 715 C GLU A 48 38.511 2.474 -17.281 1.00 0.00 C ATOM 716 O GLU A 48 37.744 2.287 -18.223 1.00 0.00 O ATOM 717 CB GLU A 48 40.382 3.432 -18.650 1.00 0.00 C ATOM 718 CG GLU A 48 41.392 4.573 -18.732 1.00 0.00 C ATOM 719 CD GLU A 48 41.491 5.108 -20.153 1.00 0.00 C ATOM 720 OE1 GLU A 48 42.237 4.490 -20.942 1.00 0.00 O ATOM 721 OE2 GLU A 48 40.819 6.126 -20.424 1.00 0.00 O ATOM 0 H GLU A 48 41.017 2.581 -16.196 1.00 0.00 H new ATOM 0 HA GLU A 48 39.087 4.526 -17.341 1.00 0.00 H new ATOM 0 HB2 GLU A 48 40.898 2.472 -18.682 1.00 0.00 H new ATOM 0 HB3 GLU A 48 39.712 3.462 -19.509 1.00 0.00 H new ATOM 0 HG2 GLU A 48 41.096 5.376 -18.057 1.00 0.00 H new ATOM 0 HG3 GLU A 48 42.370 4.223 -18.402 1.00 0.00 H new ATOM 728 N ASN A 49 38.461 1.762 -16.153 1.00 0.00 N ATOM 729 CA ASN A 49 37.487 0.707 -15.959 1.00 0.00 C ATOM 730 C ASN A 49 36.541 1.076 -14.826 1.00 0.00 C ATOM 731 O ASN A 49 36.964 1.223 -13.682 1.00 0.00 O ATOM 732 CB ASN A 49 38.211 -0.602 -15.654 1.00 0.00 C ATOM 733 CG ASN A 49 37.939 -1.638 -16.735 1.00 0.00 C ATOM 734 OD1 ASN A 49 36.784 -1.913 -17.058 1.00 0.00 O ATOM 735 ND2 ASN A 49 39.005 -2.212 -17.297 1.00 0.00 N ATOM 0 H ASN A 49 39.090 1.904 -15.363 1.00 0.00 H new ATOM 0 HA ASN A 49 36.899 0.580 -16.868 1.00 0.00 H new ATOM 0 HB2 ASN A 49 39.283 -0.420 -15.580 1.00 0.00 H new ATOM 0 HB3 ASN A 49 37.885 -0.986 -14.687 1.00 0.00 H new ATOM 0 HD21 ASN A 49 38.881 -2.912 -18.028 1.00 0.00 H new ATOM 0 HD22 ASN A 49 39.944 -1.951 -16.995 1.00 0.00 H new ATOM 742 N VAL A 50 35.253 1.224 -15.148 1.00 0.00 N ATOM 743 CA VAL A 50 34.253 1.574 -14.159 1.00 0.00 C ATOM 744 C VAL A 50 33.257 0.433 -14.009 1.00 0.00 C ATOM 745 O VAL A 50 32.836 -0.162 -14.999 1.00 0.00 O ATOM 746 CB VAL A 50 33.546 2.857 -14.585 1.00 0.00 C ATOM 747 CG1 VAL A 50 32.416 3.164 -13.606 1.00 0.00 C ATOM 748 CG2 VAL A 50 34.545 4.011 -14.587 1.00 0.00 C ATOM 0 H VAL A 50 34.886 1.104 -16.092 1.00 0.00 H new ATOM 0 HA VAL A 50 34.731 1.742 -13.194 1.00 0.00 H new ATOM 0 HB VAL A 50 33.135 2.730 -15.586 1.00 0.00 H new ATOM 0 HG11 VAL A 50 31.910 4.081 -13.910 1.00 0.00 H new ATOM 0 HG12 VAL A 50 31.703 2.340 -13.604 1.00 0.00 H new ATOM 0 HG13 VAL A 50 32.827 3.291 -12.604 1.00 0.00 H new ATOM 0 HG21 VAL A 50 34.041 4.928 -14.891 1.00 0.00 H new ATOM 0 HG22 VAL A 50 34.956 4.138 -13.586 1.00 0.00 H new ATOM 0 HG23 VAL A 50 35.352 3.792 -15.286 1.00 0.00 H new ATOM 758 N THR A 51 32.879 0.129 -12.765 1.00 0.00 N ATOM 759 CA THR A 51 31.934 -0.937 -12.496 1.00 0.00 C ATOM 760 C THR A 51 30.717 -0.380 -11.772 1.00 0.00 C ATOM 761 O THR A 51 30.808 0.634 -11.084 1.00 0.00 O ATOM 762 CB THR A 51 32.613 -2.018 -11.660 1.00 0.00 C ATOM 763 OG1 THR A 51 32.463 -1.716 -10.291 1.00 0.00 O ATOM 764 CG2 THR A 51 34.098 -2.073 -12.009 1.00 0.00 C ATOM 0 H THR A 51 33.218 0.612 -11.933 1.00 0.00 H new ATOM 0 HA THR A 51 31.601 -1.378 -13.436 1.00 0.00 H new ATOM 0 HB THR A 51 32.154 -2.984 -11.872 1.00 0.00 H new ATOM 0 HG1 THR A 51 32.897 -2.411 -9.753 1.00 0.00 H new ATOM 0 HG21 THR A 51 34.584 -2.845 -11.412 1.00 0.00 H new ATOM 0 HG22 THR A 51 34.215 -2.306 -13.067 1.00 0.00 H new ATOM 0 HG23 THR A 51 34.558 -1.108 -11.797 1.00 0.00 H new ATOM 772 N LEU A 52 29.573 -1.051 -11.930 1.00 0.00 N ATOM 773 CA LEU A 52 28.343 -0.624 -11.293 1.00 0.00 C ATOM 774 C LEU A 52 27.709 -1.795 -10.556 1.00 0.00 C ATOM 775 O LEU A 52 27.410 -2.823 -11.159 1.00 0.00 O ATOM 776 CB LEU A 52 27.390 -0.069 -12.348 1.00 0.00 C ATOM 777 CG LEU A 52 26.032 0.210 -11.710 1.00 0.00 C ATOM 778 CD1 LEU A 52 25.261 -1.099 -11.561 1.00 0.00 C ATOM 779 CD2 LEU A 52 26.236 0.840 -10.335 1.00 0.00 C ATOM 0 H LEU A 52 29.482 -1.894 -12.497 1.00 0.00 H new ATOM 0 HA LEU A 52 28.559 0.161 -10.568 1.00 0.00 H new ATOM 0 HB2 LEU A 52 27.798 0.847 -12.776 1.00 0.00 H new ATOM 0 HB3 LEU A 52 27.280 -0.782 -13.165 1.00 0.00 H new ATOM 0 HG LEU A 52 25.467 0.894 -12.343 1.00 0.00 H new ATOM 0 HD11 LEU A 52 24.291 -0.900 -11.105 1.00 0.00 H new ATOM 0 HD12 LEU A 52 25.115 -1.549 -12.543 1.00 0.00 H new ATOM 0 HD13 LEU A 52 25.826 -1.784 -10.928 1.00 0.00 H new ATOM 0 HD21 LEU A 52 25.266 1.040 -9.879 1.00 0.00 H new ATOM 0 HD22 LEU A 52 26.801 0.156 -9.702 1.00 0.00 H new ATOM 0 HD23 LEU A 52 26.786 1.775 -10.441 1.00 0.00 H new ATOM 791 N GLU A 53 27.503 -1.636 -9.247 1.00 0.00 N ATOM 792 CA GLU A 53 26.905 -2.680 -8.437 1.00 0.00 C ATOM 793 C GLU A 53 25.647 -2.156 -7.760 1.00 0.00 C ATOM 794 O GLU A 53 25.651 -1.068 -7.190 1.00 0.00 O ATOM 795 CB GLU A 53 27.918 -3.161 -7.401 1.00 0.00 C ATOM 796 CG GLU A 53 27.698 -4.645 -7.126 1.00 0.00 C ATOM 797 CD GLU A 53 28.653 -5.146 -6.050 1.00 0.00 C ATOM 798 OE1 GLU A 53 29.638 -4.423 -5.786 1.00 0.00 O ATOM 799 OE2 GLU A 53 28.378 -6.240 -5.513 1.00 0.00 O ATOM 0 H GLU A 53 27.745 -0.790 -8.732 1.00 0.00 H new ATOM 0 HA GLU A 53 26.625 -3.521 -9.071 1.00 0.00 H new ATOM 0 HB2 GLU A 53 28.932 -2.994 -7.763 1.00 0.00 H new ATOM 0 HB3 GLU A 53 27.811 -2.589 -6.479 1.00 0.00 H new ATOM 0 HG2 GLU A 53 26.668 -4.812 -6.810 1.00 0.00 H new ATOM 0 HG3 GLU A 53 27.846 -5.215 -8.043 1.00 0.00 H new ATOM 806 N THR A 54 24.566 -2.937 -7.823 1.00 0.00 N ATOM 807 CA THR A 54 23.309 -2.548 -7.216 1.00 0.00 C ATOM 808 C THR A 54 22.710 -3.727 -6.463 1.00 0.00 C ATOM 809 O THR A 54 22.640 -4.835 -6.992 1.00 0.00 O ATOM 810 CB THR A 54 22.353 -2.055 -8.298 1.00 0.00 C ATOM 811 OG1 THR A 54 23.094 -1.524 -9.373 1.00 0.00 O ATOM 812 CG2 THR A 54 21.445 -0.973 -7.722 1.00 0.00 C ATOM 0 H THR A 54 24.545 -3.843 -8.291 1.00 0.00 H new ATOM 0 HA THR A 54 23.480 -1.740 -6.505 1.00 0.00 H new ATOM 0 HB THR A 54 21.745 -2.888 -8.652 1.00 0.00 H new ATOM 0 HG1 THR A 54 23.268 -2.230 -10.030 1.00 0.00 H new ATOM 0 HG21 THR A 54 20.762 -0.621 -8.495 1.00 0.00 H new ATOM 0 HG22 THR A 54 20.871 -1.384 -6.891 1.00 0.00 H new ATOM 0 HG23 THR A 54 22.052 -0.140 -7.367 1.00 0.00 H new ATOM 820 N ILE A 55 22.278 -3.485 -5.224 1.00 0.00 N ATOM 821 CA ILE A 55 21.685 -4.522 -4.403 1.00 0.00 C ATOM 822 C ILE A 55 21.030 -3.898 -3.178 1.00 0.00 C ATOM 823 O ILE A 55 21.293 -2.742 -2.853 1.00 0.00 O ATOM 824 CB ILE A 55 22.762 -5.522 -3.991 1.00 0.00 C ATOM 825 CG1 ILE A 55 24.106 -4.807 -3.883 1.00 0.00 C ATOM 826 CG2 ILE A 55 22.857 -6.627 -5.039 1.00 0.00 C ATOM 827 CD1 ILE A 55 24.120 -3.938 -2.628 1.00 0.00 C ATOM 0 H ILE A 55 22.332 -2.572 -4.772 1.00 0.00 H new ATOM 0 HA ILE A 55 20.918 -5.048 -4.972 1.00 0.00 H new ATOM 0 HB ILE A 55 22.503 -5.957 -3.026 1.00 0.00 H new ATOM 0 HG12 ILE A 55 24.916 -5.536 -3.843 1.00 0.00 H new ATOM 0 HG13 ILE A 55 24.275 -4.191 -4.767 1.00 0.00 H new ATOM 0 HG21 ILE A 55 23.626 -7.342 -4.746 1.00 0.00 H new ATOM 0 HG22 ILE A 55 21.897 -7.138 -5.117 1.00 0.00 H new ATOM 0 HG23 ILE A 55 23.116 -6.192 -6.004 1.00 0.00 H new ATOM 0 HD11 ILE A 55 25.080 -3.427 -2.550 1.00 0.00 H new ATOM 0 HD12 ILE A 55 23.320 -3.200 -2.687 1.00 0.00 H new ATOM 0 HD13 ILE A 55 23.971 -4.565 -1.749 1.00 0.00 H new ATOM 839 N CYS A 56 20.176 -4.666 -2.498 1.00 0.00 N ATOM 840 CA CYS A 56 19.490 -4.187 -1.315 1.00 0.00 C ATOM 841 C CYS A 56 20.415 -4.282 -0.110 1.00 0.00 C ATOM 842 O CYS A 56 20.436 -5.298 0.581 1.00 0.00 O ATOM 843 CB CYS A 56 18.225 -5.009 -1.094 1.00 0.00 C ATOM 844 SG CYS A 56 16.803 -4.036 -0.538 1.00 0.00 S ATOM 0 H CYS A 56 19.948 -5.626 -2.755 1.00 0.00 H new ATOM 0 HA CYS A 56 19.208 -3.143 -1.450 1.00 0.00 H new ATOM 0 HB2 CYS A 56 17.965 -5.514 -2.024 1.00 0.00 H new ATOM 0 HB3 CYS A 56 18.432 -5.785 -0.357 1.00 0.00 H new ATOM 849 N HIS A 57 21.182 -3.219 0.142 1.00 0.00 N ATOM 850 CA HIS A 57 22.103 -3.193 1.261 1.00 0.00 C ATOM 851 C HIS A 57 21.615 -2.207 2.313 1.00 0.00 C ATOM 852 O HIS A 57 20.986 -1.203 1.984 1.00 0.00 O ATOM 853 CB HIS A 57 23.494 -2.807 0.763 1.00 0.00 C ATOM 854 CG HIS A 57 24.433 -2.455 1.884 1.00 0.00 C ATOM 855 ND1 HIS A 57 25.218 -3.337 2.593 1.00 0.00 N ATOM 856 CD2 HIS A 57 24.663 -1.200 2.380 1.00 0.00 C ATOM 857 CE1 HIS A 57 25.905 -2.620 3.499 1.00 0.00 C ATOM 858 NE2 HIS A 57 25.601 -1.314 3.410 1.00 0.00 N ATOM 0 H HIS A 57 21.177 -2.368 -0.420 1.00 0.00 H new ATOM 0 HA HIS A 57 22.153 -4.182 1.717 1.00 0.00 H new ATOM 0 HB2 HIS A 57 23.913 -3.634 0.189 1.00 0.00 H new ATOM 0 HB3 HIS A 57 23.410 -1.958 0.084 1.00 0.00 H new ATOM 0 HD2 HIS A 57 24.202 -0.285 2.037 1.00 0.00 H new ATOM 0 HE1 HIS A 57 26.608 -3.038 4.205 1.00 0.00 H new ATOM 0 HE2 HIS A 57 25.979 -0.557 3.980 1.00 0.00 H new ATOM 866 N ASP A 58 21.907 -2.497 3.583 1.00 0.00 N ATOM 867 CA ASP A 58 21.498 -1.638 4.676 1.00 0.00 C ATOM 868 C ASP A 58 22.521 -0.527 4.870 1.00 0.00 C ATOM 869 O ASP A 58 23.722 -0.785 4.893 1.00 0.00 O ATOM 870 CB ASP A 58 21.354 -2.469 5.949 1.00 0.00 C ATOM 871 CG ASP A 58 22.645 -3.212 6.261 1.00 0.00 C ATOM 872 OD1 ASP A 58 23.457 -3.361 5.321 1.00 0.00 O ATOM 873 OD2 ASP A 58 22.798 -3.618 7.434 1.00 0.00 O ATOM 0 H ASP A 58 22.427 -3.325 3.872 1.00 0.00 H new ATOM 0 HA ASP A 58 20.535 -1.182 4.445 1.00 0.00 H new ATOM 0 HB2 ASP A 58 21.092 -1.820 6.784 1.00 0.00 H new ATOM 0 HB3 ASP A 58 20.538 -3.182 5.832 1.00 0.00 H new ATOM 878 N PRO A 59 22.041 0.711 5.011 1.00 0.00 N ATOM 879 CA PRO A 59 22.862 1.886 5.204 1.00 0.00 C ATOM 880 C PRO A 59 23.443 1.875 6.611 1.00 0.00 C ATOM 881 O PRO A 59 23.773 2.927 7.157 1.00 0.00 O ATOM 882 CB PRO A 59 21.910 3.064 5.015 1.00 0.00 C ATOM 883 CG PRO A 59 20.569 2.494 5.477 1.00 0.00 C ATOM 884 CD PRO A 59 20.634 1.049 4.989 1.00 0.00 C ATOM 0 HA PRO A 59 23.702 1.936 4.512 1.00 0.00 H new ATOM 0 HB2 PRO A 59 22.210 3.926 5.611 1.00 0.00 H new ATOM 0 HB3 PRO A 59 21.874 3.392 3.976 1.00 0.00 H new ATOM 0 HG2 PRO A 59 20.456 2.551 6.560 1.00 0.00 H new ATOM 0 HG3 PRO A 59 19.728 3.032 5.040 1.00 0.00 H new ATOM 0 HD2 PRO A 59 20.059 0.387 5.636 1.00 0.00 H new ATOM 0 HD3 PRO A 59 20.220 0.952 3.985 1.00 0.00 H new ATOM 892 N GLN A 60 23.568 0.683 7.198 1.00 0.00 N ATOM 893 CA GLN A 60 24.105 0.543 8.537 1.00 0.00 C ATOM 894 C GLN A 60 25.564 0.115 8.466 1.00 0.00 C ATOM 895 O GLN A 60 26.439 0.787 9.006 1.00 0.00 O ATOM 896 CB GLN A 60 23.277 -0.479 9.312 1.00 0.00 C ATOM 897 CG GLN A 60 23.346 -0.165 10.803 1.00 0.00 C ATOM 898 CD GLN A 60 21.969 -0.271 11.443 1.00 0.00 C ATOM 899 OE1 GLN A 60 21.359 0.742 11.780 1.00 0.00 O ATOM 900 NE2 GLN A 60 21.479 -1.501 11.611 1.00 0.00 N ATOM 0 H GLN A 60 23.301 -0.198 6.758 1.00 0.00 H new ATOM 0 HA GLN A 60 24.054 1.500 9.056 1.00 0.00 H new ATOM 0 HB2 GLN A 60 22.241 -0.456 8.972 1.00 0.00 H new ATOM 0 HB3 GLN A 60 23.652 -1.485 9.124 1.00 0.00 H new ATOM 0 HG2 GLN A 60 24.033 -0.855 11.293 1.00 0.00 H new ATOM 0 HG3 GLN A 60 23.744 0.839 10.950 1.00 0.00 H new ATOM 0 HE21 GLN A 60 22.023 -2.312 11.315 1.00 0.00 H new ATOM 0 HE22 GLN A 60 20.561 -1.631 12.035 1.00 0.00 H new ATOM 909 N LYS A 61 25.824 -1.011 7.797 1.00 0.00 N ATOM 910 CA LYS A 61 27.172 -1.523 7.658 1.00 0.00 C ATOM 911 C LYS A 61 27.861 -0.856 6.475 1.00 0.00 C ATOM 912 O LYS A 61 27.251 -0.665 5.425 1.00 0.00 O ATOM 913 CB LYS A 61 27.126 -3.036 7.473 1.00 0.00 C ATOM 914 CG LYS A 61 25.807 -3.426 6.810 1.00 0.00 C ATOM 915 CD LYS A 61 25.728 -4.945 6.689 1.00 0.00 C ATOM 916 CE LYS A 61 26.360 -5.384 5.372 1.00 0.00 C ATOM 917 NZ LYS A 61 27.653 -6.047 5.601 1.00 0.00 N ATOM 0 H LYS A 61 25.109 -1.581 7.345 1.00 0.00 H new ATOM 0 HA LYS A 61 27.743 -1.298 8.559 1.00 0.00 H new ATOM 0 HB2 LYS A 61 27.965 -3.364 6.859 1.00 0.00 H new ATOM 0 HB3 LYS A 61 27.222 -3.534 8.438 1.00 0.00 H new ATOM 0 HG2 LYS A 61 24.968 -3.053 7.398 1.00 0.00 H new ATOM 0 HG3 LYS A 61 25.734 -2.968 5.824 1.00 0.00 H new ATOM 0 HD2 LYS A 61 26.244 -5.414 7.527 1.00 0.00 H new ATOM 0 HD3 LYS A 61 24.689 -5.270 6.732 1.00 0.00 H new ATOM 0 HE2 LYS A 61 25.686 -6.064 4.850 1.00 0.00 H new ATOM 0 HE3 LYS A 61 26.501 -4.517 4.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 28.061 -6.336 4.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 28.301 -5.388 6.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 27.512 -6.887 6.198 1.00 0.00 H new ATOM 931 N ARG A 62 29.136 -0.501 6.649 1.00 0.00 N ATOM 932 CA ARG A 62 29.901 0.142 5.599 1.00 0.00 C ATOM 933 C ARG A 62 30.563 -0.912 4.724 1.00 0.00 C ATOM 934 O ARG A 62 31.354 -1.717 5.209 1.00 0.00 O ATOM 935 CB ARG A 62 30.946 1.061 6.224 1.00 0.00 C ATOM 936 CG ARG A 62 31.556 0.381 7.446 1.00 0.00 C ATOM 937 CD ARG A 62 30.560 0.419 8.600 1.00 0.00 C ATOM 938 NE ARG A 62 31.226 0.762 9.857 1.00 0.00 N ATOM 939 CZ ARG A 62 30.730 1.659 10.720 1.00 0.00 C ATOM 940 NH1 ARG A 62 29.576 2.285 10.448 1.00 0.00 N ATOM 941 NH2 ARG A 62 31.387 1.932 11.856 1.00 0.00 N ATOM 0 H ARG A 62 29.655 -0.652 7.514 1.00 0.00 H new ATOM 0 HA ARG A 62 29.238 0.740 4.973 1.00 0.00 H new ATOM 0 HB2 ARG A 62 31.724 1.292 5.497 1.00 0.00 H new ATOM 0 HB3 ARG A 62 30.488 2.007 6.512 1.00 0.00 H new ATOM 0 HG2 ARG A 62 31.815 -0.651 7.209 1.00 0.00 H new ATOM 0 HG3 ARG A 62 32.480 0.884 7.732 1.00 0.00 H new ATOM 0 HD2 ARG A 62 29.779 1.149 8.387 1.00 0.00 H new ATOM 0 HD3 ARG A 62 30.072 -0.551 8.696 1.00 0.00 H new ATOM 0 HE ARG A 62 32.105 0.299 10.086 1.00 0.00 H new ATOM 0 HH11 ARG A 62 29.075 2.078 9.584 1.00 0.00 H new ATOM 0 HH12 ARG A 62 29.199 2.968 11.105 1.00 0.00 H new ATOM 0 HH21 ARG A 62 32.265 1.457 12.064 1.00 0.00 H new ATOM 0 HH22 ARG A 62 31.009 2.615 12.512 1.00 0.00 H new ATOM 955 N LEU A 63 30.238 -0.905 3.429 1.00 0.00 N ATOM 956 CA LEU A 63 30.802 -1.857 2.493 1.00 0.00 C ATOM 957 C LEU A 63 31.946 -1.212 1.725 1.00 0.00 C ATOM 958 O LEU A 63 31.953 0.000 1.518 1.00 0.00 O ATOM 959 CB LEU A 63 29.713 -2.337 1.538 1.00 0.00 C ATOM 960 CG LEU A 63 29.518 -1.306 0.429 1.00 0.00 C ATOM 961 CD1 LEU A 63 28.658 -1.906 -0.679 1.00 0.00 C ATOM 962 CD2 LEU A 63 28.826 -0.071 0.998 1.00 0.00 C ATOM 0 H LEU A 63 29.583 -0.244 3.012 1.00 0.00 H new ATOM 0 HA LEU A 63 31.195 -2.716 3.037 1.00 0.00 H new ATOM 0 HB2 LEU A 63 29.989 -3.300 1.109 1.00 0.00 H new ATOM 0 HB3 LEU A 63 28.779 -2.485 2.080 1.00 0.00 H new ATOM 0 HG LEU A 63 30.489 -1.023 0.022 1.00 0.00 H new ATOM 0 HD11 LEU A 63 28.519 -1.170 -1.471 1.00 0.00 H new ATOM 0 HD12 LEU A 63 29.153 -2.788 -1.086 1.00 0.00 H new ATOM 0 HD13 LEU A 63 27.687 -2.190 -0.273 1.00 0.00 H new ATOM 0 HD21 LEU A 63 28.687 0.665 0.206 1.00 0.00 H new ATOM 0 HD22 LEU A 63 27.855 -0.353 1.406 1.00 0.00 H new ATOM 0 HD23 LEU A 63 29.441 0.359 1.789 1.00 0.00 H new ATOM 974 N TYR A 64 32.915 -2.025 1.302 1.00 0.00 N ATOM 975 CA TYR A 64 34.059 -1.529 0.561 1.00 0.00 C ATOM 976 C TYR A 64 34.686 -0.358 1.303 1.00 0.00 C ATOM 977 O TYR A 64 35.389 0.455 0.707 1.00 0.00 O ATOM 978 CB TYR A 64 33.613 -1.108 -0.836 1.00 0.00 C ATOM 979 CG TYR A 64 32.641 -2.070 -1.475 1.00 0.00 C ATOM 980 CD1 TYR A 64 32.916 -3.442 -1.481 1.00 0.00 C ATOM 981 CD2 TYR A 64 31.464 -1.590 -2.062 1.00 0.00 C ATOM 982 CE1 TYR A 64 32.014 -4.335 -2.074 1.00 0.00 C ATOM 983 CE2 TYR A 64 30.562 -2.482 -2.654 1.00 0.00 C ATOM 984 CZ TYR A 64 30.837 -3.856 -2.660 1.00 0.00 C ATOM 985 OH TYR A 64 29.960 -4.724 -3.237 1.00 0.00 O ATOM 0 H TYR A 64 32.924 -3.032 1.464 1.00 0.00 H new ATOM 0 HA TYR A 64 34.807 -2.316 0.468 1.00 0.00 H new ATOM 0 HB2 TYR A 64 33.152 -0.122 -0.779 1.00 0.00 H new ATOM 0 HB3 TYR A 64 34.491 -1.013 -1.475 1.00 0.00 H new ATOM 0 HD1 TYR A 64 33.824 -3.813 -1.028 1.00 0.00 H new ATOM 0 HD2 TYR A 64 31.252 -0.531 -2.058 1.00 0.00 H new ATOM 0 HE1 TYR A 64 32.227 -5.394 -2.079 1.00 0.00 H new ATOM 0 HE2 TYR A 64 29.654 -2.111 -3.106 1.00 0.00 H new ATOM 0 HH TYR A 64 30.168 -4.814 -4.190 1.00 0.00 H new ATOM 995 N GLY A 65 34.430 -0.273 2.611 1.00 0.00 N ATOM 996 CA GLY A 65 34.971 0.798 3.424 1.00 0.00 C ATOM 997 C GLY A 65 34.248 2.103 3.127 1.00 0.00 C ATOM 998 O GLY A 65 34.780 3.184 3.373 1.00 0.00 O ATOM 0 H GLY A 65 33.850 -0.938 3.122 1.00 0.00 H new ATOM 0 HA2 GLY A 65 34.868 0.550 4.480 1.00 0.00 H new ATOM 0 HA3 GLY A 65 36.037 0.912 3.226 1.00 0.00 H new ATOM 1002 N HIS A 66 33.028 2.001 2.594 1.00 0.00 N ATOM 1003 CA HIS A 66 32.240 3.172 2.264 1.00 0.00 C ATOM 1004 C HIS A 66 30.904 3.120 2.992 1.00 0.00 C ATOM 1005 O HIS A 66 30.252 2.079 3.029 1.00 0.00 O ATOM 1006 CB HIS A 66 32.030 3.234 0.754 1.00 0.00 C ATOM 1007 CG HIS A 66 33.273 2.886 -0.019 1.00 0.00 C ATOM 1008 ND1 HIS A 66 34.561 3.243 0.311 1.00 0.00 N ATOM 1009 CD2 HIS A 66 33.326 2.158 -1.177 1.00 0.00 C ATOM 1010 CE1 HIS A 66 35.372 2.736 -0.635 1.00 0.00 C ATOM 1011 NE2 HIS A 66 34.666 2.067 -1.563 1.00 0.00 N ATOM 0 H HIS A 66 32.571 1.113 2.385 1.00 0.00 H new ATOM 0 HA HIS A 66 32.769 4.071 2.582 1.00 0.00 H new ATOM 0 HB2 HIS A 66 31.229 2.549 0.474 1.00 0.00 H new ATOM 0 HB3 HIS A 66 31.704 4.237 0.477 1.00 0.00 H new ATOM 0 HD2 HIS A 66 32.483 1.730 -1.699 1.00 0.00 H new ATOM 0 HE1 HIS A 66 36.446 2.851 -0.647 1.00 0.00 H new ATOM 0 HE2 HIS A 66 35.035 1.588 -2.385 1.00 0.00 H new ATOM 1019 N MET A 67 30.497 4.252 3.573 1.00 0.00 N ATOM 1020 CA MET A 67 29.244 4.329 4.297 1.00 0.00 C ATOM 1021 C MET A 67 28.352 5.395 3.676 1.00 0.00 C ATOM 1022 O MET A 67 28.780 6.530 3.479 1.00 0.00 O ATOM 1023 CB MET A 67 29.523 4.646 5.763 1.00 0.00 C ATOM 1024 CG MET A 67 30.351 5.925 5.859 1.00 0.00 C ATOM 1025 SD MET A 67 32.031 5.668 6.481 1.00 0.00 S ATOM 1026 CE MET A 67 32.549 7.395 6.634 1.00 0.00 C ATOM 0 H MET A 67 31.025 5.125 3.551 1.00 0.00 H new ATOM 0 HA MET A 67 28.727 3.371 4.237 1.00 0.00 H new ATOM 0 HB2 MET A 67 28.585 4.766 6.305 1.00 0.00 H new ATOM 0 HB3 MET A 67 30.057 3.818 6.230 1.00 0.00 H new ATOM 0 HG2 MET A 67 30.406 6.385 4.872 1.00 0.00 H new ATOM 0 HG3 MET A 67 29.837 6.631 6.511 1.00 0.00 H new ATOM 0 HE1 MET A 67 33.572 7.436 7.008 1.00 0.00 H new ATOM 0 HE2 MET A 67 32.500 7.877 5.658 1.00 0.00 H new ATOM 0 HE3 MET A 67 31.887 7.913 7.328 1.00 0.00 H new ATOM 1036 N LEU A 68 27.106 5.026 3.370 1.00 0.00 N ATOM 1037 CA LEU A 68 26.159 5.949 2.774 1.00 0.00 C ATOM 1038 C LEU A 68 25.106 6.341 3.800 1.00 0.00 C ATOM 1039 O LEU A 68 24.592 5.490 4.523 1.00 0.00 O ATOM 1040 CB LEU A 68 25.511 5.296 1.557 1.00 0.00 C ATOM 1041 CG LEU A 68 25.666 3.781 1.649 1.00 0.00 C ATOM 1042 CD1 LEU A 68 24.603 3.217 2.589 1.00 0.00 C ATOM 1043 CD2 LEU A 68 25.497 3.166 0.262 1.00 0.00 C ATOM 0 H LEU A 68 26.736 4.089 3.529 1.00 0.00 H new ATOM 0 HA LEU A 68 26.678 6.852 2.452 1.00 0.00 H new ATOM 0 HB2 LEU A 68 24.455 5.562 1.508 1.00 0.00 H new ATOM 0 HB3 LEU A 68 25.976 5.665 0.643 1.00 0.00 H new ATOM 0 HG LEU A 68 26.657 3.540 2.034 1.00 0.00 H new ATOM 0 HD11 LEU A 68 24.713 2.135 2.655 1.00 0.00 H new ATOM 0 HD12 LEU A 68 24.724 3.655 3.580 1.00 0.00 H new ATOM 0 HD13 LEU A 68 23.612 3.458 2.204 1.00 0.00 H new ATOM 0 HD21 LEU A 68 25.608 2.084 0.328 1.00 0.00 H new ATOM 0 HD22 LEU A 68 24.507 3.407 -0.124 1.00 0.00 H new ATOM 0 HD23 LEU A 68 26.256 3.568 -0.409 1.00 0.00 H new ATOM 1055 N ASP A 69 24.786 7.635 3.863 1.00 0.00 N ATOM 1056 CA ASP A 69 23.798 8.134 4.798 1.00 0.00 C ATOM 1057 C ASP A 69 22.789 9.007 4.065 1.00 0.00 C ATOM 1058 O ASP A 69 22.955 10.222 3.992 1.00 0.00 O ATOM 1059 CB ASP A 69 24.496 8.924 5.901 1.00 0.00 C ATOM 1060 CG ASP A 69 25.488 9.918 5.313 1.00 0.00 C ATOM 1061 OD1 ASP A 69 26.642 9.498 5.079 1.00 0.00 O ATOM 1062 OD2 ASP A 69 25.074 11.079 5.109 1.00 0.00 O ATOM 0 H ASP A 69 25.204 8.353 3.271 1.00 0.00 H new ATOM 0 HA ASP A 69 23.264 7.298 5.250 1.00 0.00 H new ATOM 0 HB2 ASP A 69 23.755 9.454 6.499 1.00 0.00 H new ATOM 0 HB3 ASP A 69 25.015 8.239 6.571 1.00 0.00 H new ATOM 1067 N ASP A 70 21.741 8.384 3.524 1.00 0.00 N ATOM 1068 CA ASP A 70 20.713 9.106 2.799 1.00 0.00 C ATOM 1069 C ASP A 70 19.708 8.123 2.216 1.00 0.00 C ATOM 1070 O ASP A 70 19.268 8.284 1.080 1.00 0.00 O ATOM 1071 CB ASP A 70 21.359 9.938 1.696 1.00 0.00 C ATOM 1072 CG ASP A 70 20.827 11.364 1.708 1.00 0.00 C ATOM 1073 OD1 ASP A 70 20.595 11.875 2.826 1.00 0.00 O ATOM 1074 OD2 ASP A 70 20.660 11.917 0.599 1.00 0.00 O ATOM 0 H ASP A 70 21.588 7.377 3.579 1.00 0.00 H new ATOM 0 HA ASP A 70 20.185 9.776 3.478 1.00 0.00 H new ATOM 0 HB2 ASP A 70 22.441 9.948 1.829 1.00 0.00 H new ATOM 0 HB3 ASP A 70 21.161 9.480 0.727 1.00 0.00 H new ATOM 1079 N SER A 71 19.344 7.103 2.997 1.00 0.00 N ATOM 1080 CA SER A 71 18.394 6.104 2.554 1.00 0.00 C ATOM 1081 C SER A 71 16.978 6.554 2.885 1.00 0.00 C ATOM 1082 O SER A 71 16.025 6.160 2.216 1.00 0.00 O ATOM 1083 CB SER A 71 18.708 4.770 3.227 1.00 0.00 C ATOM 1084 OG SER A 71 20.079 4.479 3.073 1.00 0.00 O ATOM 0 H SER A 71 19.700 6.955 3.941 1.00 0.00 H new ATOM 0 HA SER A 71 18.471 5.979 1.474 1.00 0.00 H new ATOM 0 HB2 SER A 71 18.451 4.815 4.285 1.00 0.00 H new ATOM 0 HB3 SER A 71 18.105 3.977 2.786 1.00 0.00 H new ATOM 0 HG SER A 71 20.597 4.985 3.734 1.00 0.00 H new ATOM 1090 N SER A 72 16.842 7.384 3.921 1.00 0.00 N ATOM 1091 CA SER A 72 15.547 7.885 4.334 1.00 0.00 C ATOM 1092 C SER A 72 15.071 8.954 3.360 1.00 0.00 C ATOM 1093 O SER A 72 13.957 9.458 3.481 1.00 0.00 O ATOM 1094 CB SER A 72 15.646 8.449 5.749 1.00 0.00 C ATOM 1095 OG SER A 72 14.459 9.141 6.063 1.00 0.00 O ATOM 0 H SER A 72 17.622 7.720 4.486 1.00 0.00 H new ATOM 0 HA SER A 72 14.822 7.071 4.332 1.00 0.00 H new ATOM 0 HB2 SER A 72 15.809 7.642 6.463 1.00 0.00 H new ATOM 0 HB3 SER A 72 16.502 9.120 5.826 1.00 0.00 H new ATOM 0 HG SER A 72 13.902 9.217 5.260 1.00 0.00 H new ATOM 1101 N SER A 73 15.921 9.296 2.389 1.00 0.00 N ATOM 1102 CA SER A 73 15.584 10.300 1.399 1.00 0.00 C ATOM 1103 C SER A 73 14.981 9.633 0.171 1.00 0.00 C ATOM 1104 O SER A 73 15.268 8.472 -0.113 1.00 0.00 O ATOM 1105 CB SER A 73 16.838 11.086 1.026 1.00 0.00 C ATOM 1106 OG SER A 73 16.661 12.442 1.369 1.00 0.00 O ATOM 0 H SER A 73 16.848 8.886 2.274 1.00 0.00 H new ATOM 0 HA SER A 73 14.847 10.989 1.811 1.00 0.00 H new ATOM 0 HB2 SER A 73 17.704 10.678 1.547 1.00 0.00 H new ATOM 0 HB3 SER A 73 17.035 10.992 -0.042 1.00 0.00 H new ATOM 0 HG SER A 73 17.466 12.947 1.131 1.00 0.00 H new ATOM 1112 N GLU A 74 14.142 10.370 -0.559 1.00 0.00 N ATOM 1113 CA GLU A 74 13.506 9.848 -1.751 1.00 0.00 C ATOM 1114 C GLU A 74 14.540 9.666 -2.854 1.00 0.00 C ATOM 1115 O GLU A 74 14.494 8.690 -3.599 1.00 0.00 O ATOM 1116 CB GLU A 74 12.400 10.801 -2.197 1.00 0.00 C ATOM 1117 CG GLU A 74 11.047 10.110 -2.057 1.00 0.00 C ATOM 1118 CD GLU A 74 10.145 10.440 -3.238 1.00 0.00 C ATOM 1119 OE1 GLU A 74 9.861 11.644 -3.416 1.00 0.00 O ATOM 1120 OE2 GLU A 74 9.756 9.482 -3.940 1.00 0.00 O ATOM 0 H GLU A 74 13.892 11.334 -0.337 1.00 0.00 H new ATOM 0 HA GLU A 74 13.064 8.876 -1.534 1.00 0.00 H new ATOM 0 HB2 GLU A 74 12.421 11.708 -1.593 1.00 0.00 H new ATOM 0 HB3 GLU A 74 12.561 11.103 -3.232 1.00 0.00 H new ATOM 0 HG2 GLU A 74 11.190 9.031 -1.993 1.00 0.00 H new ATOM 0 HG3 GLU A 74 10.568 10.424 -1.129 1.00 0.00 H new ATOM 1127 N GLN A 75 15.474 10.615 -2.957 1.00 0.00 N ATOM 1128 CA GLN A 75 16.512 10.557 -3.967 1.00 0.00 C ATOM 1129 C GLN A 75 17.789 9.989 -3.363 1.00 0.00 C ATOM 1130 O GLN A 75 18.179 10.369 -2.261 1.00 0.00 O ATOM 1131 CB GLN A 75 16.755 11.957 -4.525 1.00 0.00 C ATOM 1132 CG GLN A 75 15.706 12.269 -5.589 1.00 0.00 C ATOM 1133 CD GLN A 75 16.081 13.520 -6.370 1.00 0.00 C ATOM 1134 OE1 GLN A 75 16.933 13.468 -7.256 1.00 0.00 O ATOM 1135 NE2 GLN A 75 15.444 14.645 -6.042 1.00 0.00 N ATOM 0 H GLN A 75 15.525 11.431 -2.348 1.00 0.00 H new ATOM 0 HA GLN A 75 16.197 9.904 -4.781 1.00 0.00 H new ATOM 0 HB2 GLN A 75 16.705 12.694 -3.723 1.00 0.00 H new ATOM 0 HB3 GLN A 75 17.755 12.020 -4.955 1.00 0.00 H new ATOM 0 HG2 GLN A 75 15.612 11.424 -6.271 1.00 0.00 H new ATOM 0 HG3 GLN A 75 14.733 12.408 -5.117 1.00 0.00 H new ATOM 0 HE21 GLN A 75 14.745 14.637 -5.299 1.00 0.00 H new ATOM 0 HE22 GLN A 75 15.656 15.513 -6.534 1.00 0.00 H new ATOM 1144 N CYS A 76 18.440 9.078 -4.090 1.00 0.00 N ATOM 1145 CA CYS A 76 19.667 8.463 -3.625 1.00 0.00 C ATOM 1146 C CYS A 76 20.863 9.259 -4.128 1.00 0.00 C ATOM 1147 O CYS A 76 20.976 9.525 -5.322 1.00 0.00 O ATOM 1148 CB CYS A 76 19.730 7.020 -4.118 1.00 0.00 C ATOM 1149 SG CYS A 76 21.003 6.021 -3.306 1.00 0.00 S ATOM 0 H CYS A 76 18.129 8.755 -5.006 1.00 0.00 H new ATOM 0 HA CYS A 76 19.689 8.461 -2.535 1.00 0.00 H new ATOM 0 HB2 CYS A 76 18.759 6.550 -3.961 1.00 0.00 H new ATOM 0 HB3 CYS A 76 19.914 7.021 -5.192 1.00 0.00 H new ATOM 1154 N VAL A 77 21.758 9.637 -3.212 1.00 0.00 N ATOM 1155 CA VAL A 77 22.939 10.399 -3.564 1.00 0.00 C ATOM 1156 C VAL A 77 24.185 9.566 -3.303 1.00 0.00 C ATOM 1157 O VAL A 77 24.254 8.841 -2.313 1.00 0.00 O ATOM 1158 CB VAL A 77 22.971 11.691 -2.754 1.00 0.00 C ATOM 1159 CG1 VAL A 77 23.737 11.458 -1.454 1.00 0.00 C ATOM 1160 CG2 VAL A 77 23.665 12.782 -3.564 1.00 0.00 C ATOM 0 H VAL A 77 21.678 9.422 -2.218 1.00 0.00 H new ATOM 0 HA VAL A 77 22.911 10.653 -4.624 1.00 0.00 H new ATOM 0 HB VAL A 77 21.952 12.001 -2.525 1.00 0.00 H new ATOM 0 HG11 VAL A 77 23.760 12.381 -0.875 1.00 0.00 H new ATOM 0 HG12 VAL A 77 23.242 10.679 -0.875 1.00 0.00 H new ATOM 0 HG13 VAL A 77 24.757 11.148 -1.683 1.00 0.00 H new ATOM 0 HG21 VAL A 77 23.688 13.706 -2.986 1.00 0.00 H new ATOM 0 HG22 VAL A 77 24.684 12.472 -3.794 1.00 0.00 H new ATOM 0 HG23 VAL A 77 23.119 12.949 -4.492 1.00 0.00 H new ATOM 1170 N MET A 78 25.174 9.671 -4.195 1.00 0.00 N ATOM 1171 CA MET A 78 26.410 8.928 -4.055 1.00 0.00 C ATOM 1172 C MET A 78 27.460 9.791 -3.373 1.00 0.00 C ATOM 1173 O MET A 78 27.404 11.017 -3.447 1.00 0.00 O ATOM 1174 CB MET A 78 26.890 8.478 -5.432 1.00 0.00 C ATOM 1175 CG MET A 78 26.134 7.220 -5.850 1.00 0.00 C ATOM 1176 SD MET A 78 26.912 5.680 -5.305 1.00 0.00 S ATOM 1177 CE MET A 78 27.371 5.002 -6.920 1.00 0.00 C ATOM 0 H MET A 78 25.133 10.268 -5.021 1.00 0.00 H new ATOM 0 HA MET A 78 26.239 8.046 -3.437 1.00 0.00 H new ATOM 0 HB2 MET A 78 26.729 9.271 -6.162 1.00 0.00 H new ATOM 0 HB3 MET A 78 27.962 8.280 -5.408 1.00 0.00 H new ATOM 0 HG2 MET A 78 25.122 7.266 -5.448 1.00 0.00 H new ATOM 0 HG3 MET A 78 26.045 7.206 -6.936 1.00 0.00 H new ATOM 0 HE1 MET A 78 26.786 4.103 -7.117 1.00 0.00 H new ATOM 0 HE2 MET A 78 27.171 5.742 -7.695 1.00 0.00 H new ATOM 0 HE3 MET A 78 28.432 4.752 -6.921 1.00 0.00 H new ATOM 1187 N LYS A 79 28.423 9.149 -2.709 1.00 0.00 N ATOM 1188 CA LYS A 79 29.481 9.859 -2.019 1.00 0.00 C ATOM 1189 C LYS A 79 30.831 9.261 -2.386 1.00 0.00 C ATOM 1190 O LYS A 79 31.026 8.052 -2.288 1.00 0.00 O ATOM 1191 CB LYS A 79 29.246 9.782 -0.513 1.00 0.00 C ATOM 1192 CG LYS A 79 28.825 11.153 0.007 1.00 0.00 C ATOM 1193 CD LYS A 79 28.195 11.004 1.387 1.00 0.00 C ATOM 1194 CE LYS A 79 28.863 11.971 2.361 1.00 0.00 C ATOM 1195 NZ LYS A 79 30.325 11.809 2.346 1.00 0.00 N ATOM 0 H LYS A 79 28.485 8.133 -2.639 1.00 0.00 H new ATOM 0 HA LYS A 79 29.477 10.906 -2.321 1.00 0.00 H new ATOM 0 HB2 LYS A 79 28.474 9.045 -0.292 1.00 0.00 H new ATOM 0 HB3 LYS A 79 30.155 9.453 -0.009 1.00 0.00 H new ATOM 0 HG2 LYS A 79 29.690 11.814 0.060 1.00 0.00 H new ATOM 0 HG3 LYS A 79 28.115 11.612 -0.681 1.00 0.00 H new ATOM 0 HD2 LYS A 79 27.125 11.207 1.334 1.00 0.00 H new ATOM 0 HD3 LYS A 79 28.308 9.979 1.741 1.00 0.00 H new ATOM 0 HE2 LYS A 79 28.604 12.996 2.096 1.00 0.00 H new ATOM 0 HE3 LYS A 79 28.485 11.797 3.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 30.692 11.881 3.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 30.567 10.877 1.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 30.751 12.554 1.759 1.00 0.00 H new ATOM 1209 N GLU A 80 31.767 10.114 -2.810 1.00 0.00 N ATOM 1210 CA GLU A 80 33.092 9.666 -3.188 1.00 0.00 C ATOM 1211 C GLU A 80 33.841 9.166 -1.959 1.00 0.00 C ATOM 1212 O GLU A 80 33.990 9.895 -0.980 1.00 0.00 O ATOM 1213 CB GLU A 80 33.847 10.815 -3.851 1.00 0.00 C ATOM 1214 CG GLU A 80 35.098 10.274 -4.535 1.00 0.00 C ATOM 1215 CD GLU A 80 35.389 11.038 -5.819 1.00 0.00 C ATOM 1216 OE1 GLU A 80 35.212 12.276 -5.795 1.00 0.00 O ATOM 1217 OE2 GLU A 80 35.783 10.371 -6.800 1.00 0.00 O ATOM 0 H GLU A 80 31.622 11.120 -2.897 1.00 0.00 H new ATOM 0 HA GLU A 80 33.012 8.843 -3.898 1.00 0.00 H new ATOM 0 HB2 GLU A 80 33.207 11.312 -4.580 1.00 0.00 H new ATOM 0 HB3 GLU A 80 34.121 11.562 -3.106 1.00 0.00 H new ATOM 0 HG2 GLU A 80 35.950 10.353 -3.859 1.00 0.00 H new ATOM 0 HG3 GLU A 80 34.966 9.215 -4.759 1.00 0.00 H new ATOM 1224 N LYS A 81 34.314 7.919 -2.015 1.00 0.00 N ATOM 1225 CA LYS A 81 35.044 7.330 -0.911 1.00 0.00 C ATOM 1226 C LYS A 81 36.480 7.051 -1.330 1.00 0.00 C ATOM 1227 O LYS A 81 36.739 6.706 -2.481 1.00 0.00 O ATOM 1228 CB LYS A 81 34.349 6.045 -0.472 1.00 0.00 C ATOM 1229 CG LYS A 81 32.842 6.275 -0.414 1.00 0.00 C ATOM 1230 CD LYS A 81 32.403 6.420 1.040 1.00 0.00 C ATOM 1231 CE LYS A 81 30.883 6.329 1.124 1.00 0.00 C ATOM 1232 NZ LYS A 81 30.321 7.508 1.803 1.00 0.00 N ATOM 0 H LYS A 81 34.199 7.303 -2.820 1.00 0.00 H new ATOM 0 HA LYS A 81 35.062 8.024 -0.071 1.00 0.00 H new ATOM 0 HB2 LYS A 81 34.578 5.239 -1.169 1.00 0.00 H new ATOM 0 HB3 LYS A 81 34.718 5.735 0.506 1.00 0.00 H new ATOM 0 HG2 LYS A 81 32.579 7.172 -0.975 1.00 0.00 H new ATOM 0 HG3 LYS A 81 32.318 5.441 -0.881 1.00 0.00 H new ATOM 0 HD2 LYS A 81 32.859 5.639 1.648 1.00 0.00 H new ATOM 0 HD3 LYS A 81 32.743 7.375 1.440 1.00 0.00 H new ATOM 0 HE2 LYS A 81 30.464 6.248 0.121 1.00 0.00 H new ATOM 0 HE3 LYS A 81 30.598 5.425 1.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 29.666 7.199 2.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 31.091 8.064 2.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 29.809 8.094 1.113 1.00 0.00 H new ATOM 1246 N LYS A 82 37.416 7.200 -0.390 1.00 0.00 N ATOM 1247 CA LYS A 82 38.819 6.963 -0.665 1.00 0.00 C ATOM 1248 C LYS A 82 39.027 5.516 -1.087 1.00 0.00 C ATOM 1249 O LYS A 82 39.014 4.615 -0.252 1.00 0.00 O ATOM 1250 CB LYS A 82 39.642 7.288 0.578 1.00 0.00 C ATOM 1251 CG LYS A 82 38.935 6.740 1.813 1.00 0.00 C ATOM 1252 CD LYS A 82 39.722 5.557 2.368 1.00 0.00 C ATOM 1253 CE LYS A 82 38.766 4.587 3.057 1.00 0.00 C ATOM 1254 NZ LYS A 82 39.029 4.525 4.504 1.00 0.00 N ATOM 0 H LYS A 82 37.218 7.485 0.569 1.00 0.00 H new ATOM 0 HA LYS A 82 39.147 7.607 -1.481 1.00 0.00 H new ATOM 0 HB2 LYS A 82 40.637 6.852 0.492 1.00 0.00 H new ATOM 0 HB3 LYS A 82 39.773 8.366 0.669 1.00 0.00 H new ATOM 0 HG2 LYS A 82 38.847 7.519 2.570 1.00 0.00 H new ATOM 0 HG3 LYS A 82 37.922 6.429 1.557 1.00 0.00 H new ATOM 0 HD2 LYS A 82 40.253 5.050 1.562 1.00 0.00 H new ATOM 0 HD3 LYS A 82 40.474 5.907 3.075 1.00 0.00 H new ATOM 0 HE2 LYS A 82 37.737 4.901 2.884 1.00 0.00 H new ATOM 0 HE3 LYS A 82 38.874 3.594 2.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 38.366 3.859 4.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 40.004 4.203 4.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 38.903 5.470 4.921 1.00 0.00 H new ATOM 1268 N ASP A 83 39.220 5.296 -2.390 1.00 0.00 N ATOM 1269 CA ASP A 83 39.428 3.962 -2.916 1.00 0.00 C ATOM 1270 C ASP A 83 40.746 3.909 -3.676 1.00 0.00 C ATOM 1271 O ASP A 83 41.055 4.811 -4.450 1.00 0.00 O ATOM 1272 CB ASP A 83 38.263 3.588 -3.829 1.00 0.00 C ATOM 1273 CG ASP A 83 37.022 3.250 -3.015 1.00 0.00 C ATOM 1274 OD1 ASP A 83 36.322 4.208 -2.621 1.00 0.00 O ATOM 1275 OD2 ASP A 83 36.796 2.040 -2.800 1.00 0.00 O ATOM 0 H ASP A 83 39.235 6.033 -3.095 1.00 0.00 H new ATOM 0 HA ASP A 83 39.474 3.246 -2.096 1.00 0.00 H new ATOM 0 HB2 ASP A 83 38.045 4.415 -4.505 1.00 0.00 H new ATOM 0 HB3 ASP A 83 38.540 2.735 -4.448 1.00 0.00 H new ATOM 1280 N ASP A 84 41.524 2.847 -3.452 1.00 0.00 N ATOM 1281 CA ASP A 84 42.802 2.683 -4.114 1.00 0.00 C ATOM 1282 C ASP A 84 42.622 1.875 -5.391 1.00 0.00 C ATOM 1283 O ASP A 84 42.022 0.803 -5.370 1.00 0.00 O ATOM 1284 CB ASP A 84 43.778 1.989 -3.168 1.00 0.00 C ATOM 1285 CG ASP A 84 45.189 2.529 -3.350 1.00 0.00 C ATOM 1286 OD1 ASP A 84 45.828 2.124 -4.346 1.00 0.00 O ATOM 1287 OD2 ASP A 84 45.604 3.336 -2.491 1.00 0.00 O ATOM 0 H ASP A 84 41.282 2.090 -2.813 1.00 0.00 H new ATOM 0 HA ASP A 84 43.206 3.660 -4.380 1.00 0.00 H new ATOM 0 HB2 ASP A 84 43.458 2.137 -2.137 1.00 0.00 H new ATOM 0 HB3 ASP A 84 43.769 0.915 -3.354 1.00 0.00 H new ATOM 1292 N GLY A 85 43.142 2.392 -6.506 1.00 0.00 N ATOM 1293 CA GLY A 85 43.034 1.714 -7.782 1.00 0.00 C ATOM 1294 C GLY A 85 41.871 2.283 -8.583 1.00 0.00 C ATOM 1295 O GLY A 85 41.730 1.998 -9.771 1.00 0.00 O ATOM 0 H GLY A 85 43.642 3.281 -6.542 1.00 0.00 H new ATOM 0 HA2 GLY A 85 43.962 1.829 -8.343 1.00 0.00 H new ATOM 0 HA3 GLY A 85 42.887 0.646 -7.623 1.00 0.00 H new ATOM 1299 N GLY A 86 41.034 3.091 -7.928 1.00 0.00 N ATOM 1300 CA GLY A 86 39.890 3.693 -8.583 1.00 0.00 C ATOM 1301 C GLY A 86 38.915 4.235 -7.547 1.00 0.00 C ATOM 1302 O GLY A 86 38.966 3.853 -6.380 1.00 0.00 O ATOM 0 H GLY A 86 41.135 3.338 -6.944 1.00 0.00 H new ATOM 0 HA2 GLY A 86 40.220 4.499 -9.239 1.00 0.00 H new ATOM 0 HA3 GLY A 86 39.391 2.955 -9.211 1.00 0.00 H new ATOM 1306 N LEU A 87 38.021 5.130 -7.979 1.00 0.00 N ATOM 1307 CA LEU A 87 37.039 5.719 -7.092 1.00 0.00 C ATOM 1308 C LEU A 87 35.832 4.800 -6.972 1.00 0.00 C ATOM 1309 O LEU A 87 35.454 4.138 -7.937 1.00 0.00 O ATOM 1310 CB LEU A 87 36.627 7.087 -7.629 1.00 0.00 C ATOM 1311 CG LEU A 87 37.703 8.114 -7.288 1.00 0.00 C ATOM 1312 CD1 LEU A 87 37.902 8.158 -5.775 1.00 0.00 C ATOM 1313 CD2 LEU A 87 39.014 7.719 -7.963 1.00 0.00 C ATOM 0 H LEU A 87 37.965 5.457 -8.944 1.00 0.00 H new ATOM 0 HA LEU A 87 37.471 5.847 -6.099 1.00 0.00 H new ATOM 0 HB2 LEU A 87 36.486 7.038 -8.709 1.00 0.00 H new ATOM 0 HB3 LEU A 87 35.673 7.387 -7.196 1.00 0.00 H new ATOM 0 HG LEU A 87 37.394 9.097 -7.642 1.00 0.00 H new ATOM 0 HD11 LEU A 87 38.670 8.891 -5.530 1.00 0.00 H new ATOM 0 HD12 LEU A 87 36.966 8.439 -5.293 1.00 0.00 H new ATOM 0 HD13 LEU A 87 38.212 7.175 -5.420 1.00 0.00 H new ATOM 0 HD21 LEU A 87 39.783 8.452 -7.720 1.00 0.00 H new ATOM 0 HD22 LEU A 87 39.324 6.736 -7.608 1.00 0.00 H new ATOM 0 HD23 LEU A 87 38.872 7.687 -9.043 1.00 0.00 H new ATOM 1325 N MET A 88 35.226 4.761 -5.784 1.00 0.00 N ATOM 1326 CA MET A 88 34.068 3.924 -5.546 1.00 0.00 C ATOM 1327 C MET A 88 32.981 4.728 -4.847 1.00 0.00 C ATOM 1328 O MET A 88 33.175 5.201 -3.730 1.00 0.00 O ATOM 1329 CB MET A 88 34.477 2.721 -4.700 1.00 0.00 C ATOM 1330 CG MET A 88 35.660 2.016 -5.356 1.00 0.00 C ATOM 1331 SD MET A 88 35.881 0.300 -4.825 1.00 0.00 S ATOM 1332 CE MET A 88 37.545 0.008 -5.472 1.00 0.00 C ATOM 0 H MET A 88 35.526 5.304 -4.975 1.00 0.00 H new ATOM 0 HA MET A 88 33.672 3.568 -6.497 1.00 0.00 H new ATOM 0 HB2 MET A 88 34.745 3.045 -3.694 1.00 0.00 H new ATOM 0 HB3 MET A 88 33.639 2.031 -4.600 1.00 0.00 H new ATOM 0 HG2 MET A 88 35.528 2.037 -6.438 1.00 0.00 H new ATOM 0 HG3 MET A 88 36.570 2.574 -5.135 1.00 0.00 H new ATOM 0 HE1 MET A 88 37.724 -1.065 -5.546 1.00 0.00 H new ATOM 0 HE2 MET A 88 37.636 0.460 -6.460 1.00 0.00 H new ATOM 0 HE3 MET A 88 38.280 0.453 -4.801 1.00 0.00 H new ATOM 1342 N PHE A 89 31.833 4.883 -5.511 1.00 0.00 N ATOM 1343 CA PHE A 89 30.723 5.628 -4.952 1.00 0.00 C ATOM 1344 C PHE A 89 29.636 4.667 -4.492 1.00 0.00 C ATOM 1345 O PHE A 89 29.373 3.662 -5.150 1.00 0.00 O ATOM 1346 CB PHE A 89 30.183 6.596 -6.000 1.00 0.00 C ATOM 1347 CG PHE A 89 31.035 7.831 -6.176 1.00 0.00 C ATOM 1348 CD1 PHE A 89 32.427 7.715 -6.253 1.00 0.00 C ATOM 1349 CD2 PHE A 89 30.431 9.092 -6.260 1.00 0.00 C ATOM 1350 CE1 PHE A 89 33.217 8.860 -6.413 1.00 0.00 C ATOM 1351 CE2 PHE A 89 31.221 10.236 -6.420 1.00 0.00 C ATOM 1352 CZ PHE A 89 32.614 10.121 -6.497 1.00 0.00 C ATOM 0 H PHE A 89 31.656 4.498 -6.439 1.00 0.00 H new ATOM 0 HA PHE A 89 31.062 6.201 -4.088 1.00 0.00 H new ATOM 0 HB2 PHE A 89 30.106 6.078 -6.956 1.00 0.00 H new ATOM 0 HB3 PHE A 89 29.174 6.897 -5.719 1.00 0.00 H new ATOM 0 HD1 PHE A 89 32.892 6.742 -6.189 1.00 0.00 H new ATOM 0 HD2 PHE A 89 29.356 9.181 -6.201 1.00 0.00 H new ATOM 0 HE1 PHE A 89 34.292 8.771 -6.472 1.00 0.00 H new ATOM 0 HE2 PHE A 89 30.756 11.208 -6.484 1.00 0.00 H new ATOM 0 HZ PHE A 89 33.223 11.004 -6.621 1.00 0.00 H new ATOM 1362 N MET A 90 29.002 4.978 -3.360 1.00 0.00 N ATOM 1363 CA MET A 90 27.949 4.141 -2.820 1.00 0.00 C ATOM 1364 C MET A 90 26.740 4.994 -2.463 1.00 0.00 C ATOM 1365 O MET A 90 26.888 6.099 -1.947 1.00 0.00 O ATOM 1366 CB MET A 90 28.469 3.401 -1.591 1.00 0.00 C ATOM 1367 CG MET A 90 29.240 4.372 -0.700 1.00 0.00 C ATOM 1368 SD MET A 90 28.344 4.870 0.792 1.00 0.00 S ATOM 1369 CE MET A 90 28.199 6.644 0.465 1.00 0.00 C ATOM 0 H MET A 90 29.206 5.808 -2.804 1.00 0.00 H new ATOM 0 HA MET A 90 27.643 3.409 -3.568 1.00 0.00 H new ATOM 0 HB2 MET A 90 27.638 2.965 -1.037 1.00 0.00 H new ATOM 0 HB3 MET A 90 29.116 2.578 -1.895 1.00 0.00 H new ATOM 0 HG2 MET A 90 30.183 3.911 -0.408 1.00 0.00 H new ATOM 0 HG3 MET A 90 29.486 5.263 -1.278 1.00 0.00 H new ATOM 0 HE1 MET A 90 28.182 7.188 1.409 1.00 0.00 H new ATOM 0 HE2 MET A 90 29.051 6.975 -0.129 1.00 0.00 H new ATOM 0 HE3 MET A 90 27.277 6.839 -0.083 1.00 0.00 H new ATOM 1379 N CYS A 91 25.542 4.477 -2.741 1.00 0.00 N ATOM 1380 CA CYS A 91 24.314 5.189 -2.450 1.00 0.00 C ATOM 1381 C CYS A 91 23.252 4.210 -1.970 1.00 0.00 C ATOM 1382 O CYS A 91 23.250 3.048 -2.371 1.00 0.00 O ATOM 1383 CB CYS A 91 23.844 5.925 -3.701 1.00 0.00 C ATOM 1384 SG CYS A 91 22.328 5.253 -4.424 1.00 0.00 S ATOM 0 H CYS A 91 25.405 3.562 -3.170 1.00 0.00 H new ATOM 0 HA CYS A 91 24.491 5.919 -1.660 1.00 0.00 H new ATOM 0 HB2 CYS A 91 23.682 6.974 -3.454 1.00 0.00 H new ATOM 0 HB3 CYS A 91 24.636 5.892 -4.449 1.00 0.00 H new ATOM 1389 N SER A 92 22.349 4.681 -1.108 1.00 0.00 N ATOM 1390 CA SER A 92 21.288 3.847 -0.580 1.00 0.00 C ATOM 1391 C SER A 92 19.971 4.609 -0.604 1.00 0.00 C ATOM 1392 O SER A 92 19.960 5.834 -0.702 1.00 0.00 O ATOM 1393 CB SER A 92 21.640 3.419 0.842 1.00 0.00 C ATOM 1394 OG SER A 92 22.326 4.465 1.491 1.00 0.00 O ATOM 0 H SER A 92 22.339 5.641 -0.764 1.00 0.00 H new ATOM 0 HA SER A 92 21.179 2.956 -1.198 1.00 0.00 H new ATOM 0 HB2 SER A 92 20.733 3.168 1.393 1.00 0.00 H new ATOM 0 HB3 SER A 92 22.259 2.522 0.821 1.00 0.00 H new ATOM 0 HG SER A 92 21.781 4.803 2.232 1.00 0.00 H new ATOM 1400 N CYS A 93 18.857 3.878 -0.514 1.00 0.00 N ATOM 1401 CA CYS A 93 17.541 4.485 -0.524 1.00 0.00 C ATOM 1402 C CYS A 93 16.474 3.400 -0.484 1.00 0.00 C ATOM 1403 O CYS A 93 16.592 2.383 -1.163 1.00 0.00 O ATOM 1404 CB CYS A 93 17.389 5.347 -1.774 1.00 0.00 C ATOM 1405 SG CYS A 93 17.658 4.451 -3.323 1.00 0.00 S ATOM 0 H CYS A 93 18.850 2.861 -0.433 1.00 0.00 H new ATOM 0 HA CYS A 93 17.421 5.119 0.355 1.00 0.00 H new ATOM 0 HB2 CYS A 93 16.388 5.779 -1.785 1.00 0.00 H new ATOM 0 HB3 CYS A 93 18.094 6.176 -1.719 1.00 0.00 H new ATOM 1410 N THR A 94 15.429 3.619 0.318 1.00 0.00 N ATOM 1411 CA THR A 94 14.350 2.659 0.440 1.00 0.00 C ATOM 1412 C THR A 94 13.376 2.825 -0.718 1.00 0.00 C ATOM 1413 O THR A 94 12.437 2.044 -0.863 1.00 0.00 O ATOM 1414 CB THR A 94 13.640 2.862 1.775 1.00 0.00 C ATOM 1415 OG1 THR A 94 12.246 2.762 1.587 1.00 0.00 O ATOM 1416 CG2 THR A 94 13.982 4.241 2.330 1.00 0.00 C ATOM 0 H THR A 94 15.315 4.456 0.890 1.00 0.00 H new ATOM 0 HA THR A 94 14.754 1.647 0.406 1.00 0.00 H new ATOM 0 HB THR A 94 13.967 2.097 2.479 1.00 0.00 H new ATOM 0 HG1 THR A 94 12.060 2.172 0.827 1.00 0.00 H new ATOM 0 HG21 THR A 94 13.474 4.385 3.284 1.00 0.00 H new ATOM 0 HG22 THR A 94 15.059 4.317 2.477 1.00 0.00 H new ATOM 0 HG23 THR A 94 13.657 5.007 1.626 1.00 0.00 H new ATOM 1424 N GLY A 95 13.601 3.848 -1.546 1.00 0.00 N ATOM 1425 CA GLY A 95 12.744 4.108 -2.685 1.00 0.00 C ATOM 1426 C GLY A 95 12.765 2.924 -3.642 1.00 0.00 C ATOM 1427 O GLY A 95 13.657 2.082 -3.576 1.00 0.00 O ATOM 0 H GLY A 95 14.373 4.506 -1.441 1.00 0.00 H new ATOM 0 HA2 GLY A 95 11.724 4.293 -2.347 1.00 0.00 H new ATOM 0 HA3 GLY A 95 13.077 5.008 -3.202 1.00 0.00 H new ATOM 1431 N GLU A 96 11.775 2.862 -4.536 1.00 0.00 N ATOM 1432 CA GLU A 96 11.684 1.786 -5.500 1.00 0.00 C ATOM 1433 C GLU A 96 12.846 1.867 -6.481 1.00 0.00 C ATOM 1434 O GLU A 96 12.979 2.848 -7.211 1.00 0.00 O ATOM 1435 CB GLU A 96 10.350 1.873 -6.235 1.00 0.00 C ATOM 1436 CG GLU A 96 10.148 0.614 -7.075 1.00 0.00 C ATOM 1437 CD GLU A 96 8.861 0.701 -7.883 1.00 0.00 C ATOM 1438 OE1 GLU A 96 8.924 1.274 -8.991 1.00 0.00 O ATOM 1439 OE2 GLU A 96 7.838 0.192 -7.375 1.00 0.00 O ATOM 0 H GLU A 96 11.027 3.552 -4.604 1.00 0.00 H new ATOM 0 HA GLU A 96 11.738 0.828 -4.984 1.00 0.00 H new ATOM 0 HB2 GLU A 96 9.535 1.980 -5.519 1.00 0.00 H new ATOM 0 HB3 GLU A 96 10.332 2.756 -6.874 1.00 0.00 H new ATOM 0 HG2 GLU A 96 10.996 0.480 -7.747 1.00 0.00 H new ATOM 0 HG3 GLU A 96 10.116 -0.260 -6.425 1.00 0.00 H new ATOM 1446 N GLU A 97 13.689 0.832 -6.496 1.00 0.00 N ATOM 1447 CA GLU A 97 14.831 0.794 -7.387 1.00 0.00 C ATOM 1448 C GLU A 97 15.485 2.166 -7.455 1.00 0.00 C ATOM 1449 O GLU A 97 16.161 2.488 -8.429 1.00 0.00 O ATOM 1450 CB GLU A 97 14.380 0.340 -8.772 1.00 0.00 C ATOM 1451 CG GLU A 97 14.342 -1.185 -8.821 1.00 0.00 C ATOM 1452 CD GLU A 97 13.545 -1.670 -10.024 1.00 0.00 C ATOM 1453 OE1 GLU A 97 12.372 -1.253 -10.133 1.00 0.00 O ATOM 1454 OE2 GLU A 97 14.124 -2.448 -10.812 1.00 0.00 O ATOM 0 H GLU A 97 13.595 0.012 -5.897 1.00 0.00 H new ATOM 0 HA GLU A 97 15.567 0.085 -7.007 1.00 0.00 H new ATOM 0 HB2 GLU A 97 13.394 0.746 -8.996 1.00 0.00 H new ATOM 0 HB3 GLU A 97 15.062 0.722 -9.532 1.00 0.00 H new ATOM 0 HG2 GLU A 97 15.358 -1.577 -8.871 1.00 0.00 H new ATOM 0 HG3 GLU A 97 13.896 -1.571 -7.904 1.00 0.00 H new ATOM 1461 N CYS A 98 15.280 2.977 -6.413 1.00 0.00 N ATOM 1462 CA CYS A 98 15.847 4.309 -6.358 1.00 0.00 C ATOM 1463 C CYS A 98 17.364 4.219 -6.278 1.00 0.00 C ATOM 1464 O CYS A 98 18.051 5.237 -6.295 1.00 0.00 O ATOM 1465 CB CYS A 98 15.285 5.050 -5.148 1.00 0.00 C ATOM 1466 SG CYS A 98 15.549 4.196 -3.574 1.00 0.00 S ATOM 0 H CYS A 98 14.722 2.724 -5.598 1.00 0.00 H new ATOM 0 HA CYS A 98 15.582 4.860 -7.260 1.00 0.00 H new ATOM 0 HB2 CYS A 98 15.743 6.038 -5.095 1.00 0.00 H new ATOM 0 HB3 CYS A 98 14.215 5.202 -5.292 1.00 0.00 H new ATOM 1471 N ASN A 99 17.887 2.993 -6.190 1.00 0.00 N ATOM 1472 CA ASN A 99 19.319 2.778 -6.109 1.00 0.00 C ATOM 1473 C ASN A 99 19.930 2.828 -7.502 1.00 0.00 C ATOM 1474 O ASN A 99 21.091 3.196 -7.661 1.00 0.00 O ATOM 1475 CB ASN A 99 19.591 1.431 -5.446 1.00 0.00 C ATOM 1476 CG ASN A 99 18.943 0.299 -6.229 1.00 0.00 C ATOM 1477 OD1 ASN A 99 17.995 0.523 -6.978 1.00 0.00 O ATOM 1478 ND2 ASN A 99 19.458 -0.921 -6.055 1.00 0.00 N ATOM 0 H ASN A 99 17.332 2.138 -6.174 1.00 0.00 H new ATOM 0 HA ASN A 99 19.776 3.564 -5.508 1.00 0.00 H new ATOM 0 HB2 ASN A 99 20.666 1.264 -5.380 1.00 0.00 H new ATOM 0 HB3 ASN A 99 19.207 1.439 -4.426 1.00 0.00 H new ATOM 0 HD21 ASN A 99 19.063 -1.717 -6.555 1.00 0.00 H new ATOM 0 HD22 ASN A 99 20.246 -1.056 -5.422 1.00 0.00 H new ATOM 1485 N ASP A 100 19.143 2.452 -8.513 1.00 0.00 N ATOM 1486 CA ASP A 100 19.609 2.455 -9.885 1.00 0.00 C ATOM 1487 C ASP A 100 20.053 3.857 -10.276 1.00 0.00 C ATOM 1488 O ASP A 100 20.758 4.032 -11.267 1.00 0.00 O ATOM 1489 CB ASP A 100 18.490 1.965 -10.801 1.00 0.00 C ATOM 1490 CG ASP A 100 17.924 3.112 -11.628 1.00 0.00 C ATOM 1491 OD1 ASP A 100 18.629 3.533 -12.570 1.00 0.00 O ATOM 1492 OD2 ASP A 100 16.798 3.544 -11.302 1.00 0.00 O ATOM 0 H ASP A 100 18.178 2.142 -8.397 1.00 0.00 H new ATOM 0 HA ASP A 100 20.463 1.785 -9.986 1.00 0.00 H new ATOM 0 HB2 ASP A 100 18.871 1.187 -11.463 1.00 0.00 H new ATOM 0 HB3 ASP A 100 17.696 1.515 -10.204 1.00 0.00 H new ATOM 1497 N VAL A 101 19.636 4.857 -9.495 1.00 0.00 N ATOM 1498 CA VAL A 101 19.991 6.235 -9.764 1.00 0.00 C ATOM 1499 C VAL A 101 21.044 6.699 -8.767 1.00 0.00 C ATOM 1500 O VAL A 101 20.730 6.968 -7.609 1.00 0.00 O ATOM 1501 CB VAL A 101 18.743 7.107 -9.676 1.00 0.00 C ATOM 1502 CG1 VAL A 101 18.847 8.248 -10.685 1.00 0.00 C ATOM 1503 CG2 VAL A 101 17.510 6.264 -9.988 1.00 0.00 C ATOM 0 H VAL A 101 19.050 4.727 -8.670 1.00 0.00 H new ATOM 0 HA VAL A 101 20.407 6.319 -10.768 1.00 0.00 H new ATOM 0 HB VAL A 101 18.658 7.518 -8.670 1.00 0.00 H new ATOM 0 HG11 VAL A 101 17.955 8.871 -10.622 1.00 0.00 H new ATOM 0 HG12 VAL A 101 19.728 8.851 -10.463 1.00 0.00 H new ATOM 0 HG13 VAL A 101 18.933 7.837 -11.691 1.00 0.00 H new ATOM 0 HG21 VAL A 101 16.618 6.887 -9.925 1.00 0.00 H new ATOM 0 HG22 VAL A 101 17.595 5.853 -10.994 1.00 0.00 H new ATOM 0 HG23 VAL A 101 17.435 5.449 -9.268 1.00 0.00 H new ATOM 1513 N LEU A 102 22.297 6.791 -9.220 1.00 0.00 N ATOM 1514 CA LEU A 102 23.388 7.221 -8.368 1.00 0.00 C ATOM 1515 C LEU A 102 23.745 8.669 -8.676 1.00 0.00 C ATOM 1516 O LEU A 102 24.392 8.950 -9.682 1.00 0.00 O ATOM 1517 CB LEU A 102 24.592 6.310 -8.586 1.00 0.00 C ATOM 1518 CG LEU A 102 24.188 5.136 -9.473 1.00 0.00 C ATOM 1519 CD1 LEU A 102 23.914 5.636 -10.888 1.00 0.00 C ATOM 1520 CD2 LEU A 102 25.316 4.109 -9.504 1.00 0.00 C ATOM 0 H LEU A 102 22.573 6.571 -10.177 1.00 0.00 H new ATOM 0 HA LEU A 102 23.084 7.157 -7.323 1.00 0.00 H new ATOM 0 HB2 LEU A 102 25.404 6.868 -9.051 1.00 0.00 H new ATOM 0 HB3 LEU A 102 24.963 5.945 -7.628 1.00 0.00 H new ATOM 0 HG LEU A 102 23.287 4.672 -9.072 1.00 0.00 H new ATOM 0 HD11 LEU A 102 23.626 4.797 -11.521 1.00 0.00 H new ATOM 0 HD12 LEU A 102 23.107 6.368 -10.865 1.00 0.00 H new ATOM 0 HD13 LEU A 102 24.814 6.101 -11.290 1.00 0.00 H new ATOM 0 HD21 LEU A 102 25.027 3.270 -10.138 1.00 0.00 H new ATOM 0 HD22 LEU A 102 26.218 4.572 -9.903 1.00 0.00 H new ATOM 0 HD23 LEU A 102 25.509 3.750 -8.493 1.00 0.00 H new ATOM 1532 N ILE A 103 23.319 9.588 -7.806 1.00 0.00 N ATOM 1533 CA ILE A 103 23.595 10.998 -7.985 1.00 0.00 C ATOM 1534 C ILE A 103 25.004 11.313 -7.502 1.00 0.00 C ATOM 1535 O ILE A 103 25.360 10.996 -6.370 1.00 0.00 O ATOM 1536 CB ILE A 103 22.563 11.819 -7.216 1.00 0.00 C ATOM 1537 CG1 ILE A 103 21.312 11.994 -8.072 1.00 0.00 C ATOM 1538 CG2 ILE A 103 23.148 13.189 -6.885 1.00 0.00 C ATOM 1539 CD1 ILE A 103 20.120 11.353 -7.367 1.00 0.00 C ATOM 0 H ILE A 103 22.779 9.369 -6.969 1.00 0.00 H new ATOM 0 HA ILE A 103 23.529 11.254 -9.042 1.00 0.00 H new ATOM 0 HB ILE A 103 22.302 11.302 -6.293 1.00 0.00 H new ATOM 0 HG12 ILE A 103 21.121 13.053 -8.243 1.00 0.00 H new ATOM 0 HG13 ILE A 103 21.460 11.535 -9.050 1.00 0.00 H new ATOM 0 HG21 ILE A 103 22.412 13.776 -6.336 1.00 0.00 H new ATOM 0 HG22 ILE A 103 24.042 13.065 -6.274 1.00 0.00 H new ATOM 0 HG23 ILE A 103 23.409 13.706 -7.808 1.00 0.00 H new ATOM 0 HD11 ILE A 103 19.226 11.478 -7.978 1.00 0.00 H new ATOM 0 HD12 ILE A 103 20.313 10.291 -7.219 1.00 0.00 H new ATOM 0 HD13 ILE A 103 19.968 11.832 -6.400 1.00 0.00 H new ATOM 1551 N PHE A 104 25.807 11.939 -8.367 1.00 0.00 N ATOM 1552 CA PHE A 104 27.170 12.292 -8.023 1.00 0.00 C ATOM 1553 C PHE A 104 27.292 13.803 -7.882 1.00 0.00 C ATOM 1554 O PHE A 104 27.140 14.534 -8.857 1.00 0.00 O ATOM 1555 CB PHE A 104 28.116 11.770 -9.101 1.00 0.00 C ATOM 1556 CG PHE A 104 28.063 10.271 -9.273 1.00 0.00 C ATOM 1557 CD1 PHE A 104 26.960 9.676 -9.896 1.00 0.00 C ATOM 1558 CD2 PHE A 104 29.121 9.476 -8.814 1.00 0.00 C ATOM 1559 CE1 PHE A 104 26.912 8.286 -10.059 1.00 0.00 C ATOM 1560 CE2 PHE A 104 29.074 8.086 -8.977 1.00 0.00 C ATOM 1561 CZ PHE A 104 27.969 7.492 -9.599 1.00 0.00 C ATOM 0 H PHE A 104 25.528 12.208 -9.310 1.00 0.00 H new ATOM 0 HA PHE A 104 27.439 11.836 -7.070 1.00 0.00 H new ATOM 0 HB2 PHE A 104 27.870 12.246 -10.050 1.00 0.00 H new ATOM 0 HB3 PHE A 104 29.136 12.064 -8.852 1.00 0.00 H new ATOM 0 HD1 PHE A 104 26.145 10.289 -10.251 1.00 0.00 H new ATOM 0 HD2 PHE A 104 29.973 9.935 -8.334 1.00 0.00 H new ATOM 0 HE1 PHE A 104 26.060 7.827 -10.539 1.00 0.00 H new ATOM 0 HE2 PHE A 104 29.889 7.473 -8.623 1.00 0.00 H new ATOM 0 HZ PHE A 104 27.932 6.420 -9.724 1.00 0.00 H new ATOM 1571 N SER A 105 27.569 14.269 -6.662 1.00 0.00 N ATOM 1572 CA SER A 105 27.712 15.686 -6.400 1.00 0.00 C ATOM 1573 C SER A 105 28.934 15.931 -5.527 1.00 0.00 C ATOM 1574 O SER A 105 29.233 15.137 -4.638 1.00 0.00 O ATOM 1575 CB SER A 105 26.449 16.208 -5.720 1.00 0.00 C ATOM 1576 OG SER A 105 26.753 17.378 -4.996 1.00 0.00 O ATOM 0 H SER A 105 27.698 13.675 -5.843 1.00 0.00 H new ATOM 0 HA SER A 105 27.850 16.220 -7.340 1.00 0.00 H new ATOM 0 HB2 SER A 105 25.682 16.418 -6.466 1.00 0.00 H new ATOM 0 HB3 SER A 105 26.043 15.449 -5.051 1.00 0.00 H new ATOM 0 HG SER A 105 25.942 17.714 -4.561 1.00 0.00 H new ATOM 1582 N ALA A 106 29.641 17.034 -5.784 1.00 0.00 N ATOM 1583 CA ALA A 106 30.824 17.378 -5.022 1.00 0.00 C ATOM 1584 C ALA A 106 30.570 17.145 -3.540 1.00 0.00 C ATOM 1585 O ALA A 106 31.510 16.979 -2.765 1.00 0.00 O ATOM 1586 CB ALA A 106 31.192 18.836 -5.286 1.00 0.00 C ATOM 0 H ALA A 106 29.406 17.701 -6.519 1.00 0.00 H new ATOM 0 HA ALA A 106 31.656 16.745 -5.330 1.00 0.00 H new ATOM 0 HB1 ALA A 106 32.082 19.096 -4.713 1.00 0.00 H new ATOM 0 HB2 ALA A 106 31.391 18.974 -6.349 1.00 0.00 H new ATOM 0 HB3 ALA A 106 30.366 19.480 -4.985 1.00 0.00 H new