USER MOD reduce.3.24.130724 H: found=0, std=0, add=575, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 566 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 82 ASN : amide:sc= -5.96! C(o=-9.2!,f=-12!) USER MOD Set 1.2: A 83 HIS :FLIP no HE2:sc= -3.24! C(o=-12!,f=-9.2!) USER MOD Set 2.1: A 61 CYS SG : rot 163:sc= -4.43! USER MOD Set 2.2: A 80 HIS : no HE2:sc= -4.95! C(o=-10!,f=-20!) USER MOD Set 2.3: A 85 HIS : no HD1:sc= -0.814 K(o=-10,f=-12) USER MOD Set 3.1: A 14 TYR OH : rot -30:sc= -3.86! USER MOD Set 3.2: A 60 MET CE :methyl -104:sc= -2.46! (180deg=-0.417) USER MOD Set 4.1: A 53 CYS SG : rot 180:sc= -1.25 USER MOD Set 4.2: A 54 THR OG1 : rot 180:sc= 0.0907 USER MOD Set 4.3: A 57 SER OG : rot 77:sc= 0.979 USER MOD Set 5.1: A 20 CYS SG : rot -99:sc= -1.19! USER MOD Set 5.2: A 22 HIS : no HD1:sc= -3.42! C(o=-8.6!,f=-30!) USER MOD Set 5.3: A 40 CYS SG : rot 21:sc= -0.846 USER MOD Set 5.4: A 43 CYS SG : rot 153:sc= -3.15! USER MOD Set 6.1: A 4 CYS SG : rot 168:sc= -1.94! USER MOD Set 6.2: A 7 CYS SG : rot 122:sc= -3.96! USER MOD Set 6.3: A 25 CYS SG : rot 143:sc= -3.08! USER MOD Set 6.4: A 28 CYS SG : rot 179:sc= -1.03! USER MOD Set 6.5: A 32 HIS : no HD1:sc= -0.544 K(o=-11,f=-11) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 145:sc= -1.55 (180deg=-5.11!) USER MOD Single : A 17 MET CE :methyl -132:sc= -0.666 (180deg=-3.83!) USER MOD Single : A 21 LYS NZ :NH3+ 143:sc= -0.233 (180deg=-1.23!) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot -54:sc= 0.24 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 72:sc= 0.258 USER MOD Single : A 71 TYR OH : rot 165:sc= -0.405 USER MOD Single : A 73 SER OG : rot 170:sc= -0.149 USER MOD Single : A 74 GLN :FLIP amide:sc= -0.821 F(o=-3.2,f=-0.82) USER MOD Single : A 78 GLN :FLIP amide:sc= -0.439 F(o=-1.2,f=-0.44) USER MOD ----------------------------------------------------------------- ATOM 37 N PHE A 3 -13.814 -9.057 4.373 1.00 0.00 N ATOM 38 CA PHE A 3 -13.599 -10.085 3.314 1.00 0.00 C ATOM 39 C PHE A 3 -12.842 -9.451 2.145 1.00 0.00 C ATOM 40 O PHE A 3 -13.358 -8.600 1.448 1.00 0.00 O ATOM 41 CB PHE A 3 -14.953 -10.601 2.823 1.00 0.00 C ATOM 42 CG PHE A 3 -15.981 -10.437 3.916 1.00 0.00 C ATOM 43 CD1 PHE A 3 -15.970 -11.294 5.023 1.00 0.00 C ATOM 44 CD2 PHE A 3 -16.948 -9.428 3.821 1.00 0.00 C ATOM 45 CE1 PHE A 3 -16.925 -11.141 6.036 1.00 0.00 C ATOM 46 CE2 PHE A 3 -17.903 -9.275 4.834 1.00 0.00 C ATOM 47 CZ PHE A 3 -17.891 -10.133 5.941 1.00 0.00 C ATOM 0 HA PHE A 3 -13.020 -10.915 3.720 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -15.262 -10.053 1.933 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -14.873 -11.650 2.539 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -15.225 -12.073 5.096 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -16.957 -8.768 2.966 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -16.916 -11.801 6.891 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -18.648 -8.496 4.762 1.00 0.00 H new ATOM 0 HZ PHE A 3 -18.628 -10.017 6.722 1.00 0.00 H new ATOM 57 N CYS A 4 -11.619 -9.855 1.922 1.00 0.00 N ATOM 58 CA CYS A 4 -10.838 -9.267 0.800 1.00 0.00 C ATOM 59 C CYS A 4 -11.682 -9.260 -0.472 1.00 0.00 C ATOM 60 O CYS A 4 -12.490 -10.138 -0.701 1.00 0.00 O ATOM 61 CB CYS A 4 -9.579 -10.097 0.565 1.00 0.00 C ATOM 62 SG CYS A 4 -8.369 -9.099 -0.336 1.00 0.00 S ATOM 0 H CYS A 4 -11.130 -10.565 2.468 1.00 0.00 H new ATOM 0 HA CYS A 4 -10.561 -8.244 1.055 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -9.162 -10.424 1.517 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -9.822 -10.996 -0.002 1.00 0.00 H new ATOM 0 HG CYS A 4 -7.216 -9.700 -0.324 1.00 0.00 H new ATOM 67 N ASP A 5 -11.500 -8.271 -1.302 1.00 0.00 N ATOM 68 CA ASP A 5 -12.291 -8.200 -2.559 1.00 0.00 C ATOM 69 C ASP A 5 -11.703 -9.163 -3.593 1.00 0.00 C ATOM 70 O ASP A 5 -12.389 -9.601 -4.496 1.00 0.00 O ATOM 71 CB ASP A 5 -12.246 -6.773 -3.109 1.00 0.00 C ATOM 72 CG ASP A 5 -12.598 -6.790 -4.598 1.00 0.00 C ATOM 73 OD1 ASP A 5 -13.697 -7.208 -4.923 1.00 0.00 O ATOM 74 OD2 ASP A 5 -11.761 -6.384 -5.388 1.00 0.00 O ATOM 0 H ASP A 5 -10.837 -7.509 -1.163 1.00 0.00 H new ATOM 0 HA ASP A 5 -13.324 -8.479 -2.352 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -12.947 -6.140 -2.566 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -11.253 -6.347 -2.964 1.00 0.00 H new ATOM 79 N LYS A 6 -10.441 -9.496 -3.470 1.00 0.00 N ATOM 80 CA LYS A 6 -9.818 -10.427 -4.450 1.00 0.00 C ATOM 81 C LYS A 6 -9.736 -11.824 -3.842 1.00 0.00 C ATOM 82 O LYS A 6 -10.359 -12.755 -4.312 1.00 0.00 O ATOM 83 CB LYS A 6 -8.406 -9.939 -4.796 1.00 0.00 C ATOM 84 CG LYS A 6 -8.250 -9.803 -6.316 1.00 0.00 C ATOM 85 CD LYS A 6 -8.271 -11.189 -6.969 1.00 0.00 C ATOM 86 CE LYS A 6 -6.835 -11.681 -7.161 1.00 0.00 C ATOM 87 NZ LYS A 6 -6.853 -13.050 -7.749 1.00 0.00 N ATOM 0 H LYS A 6 -9.820 -9.162 -2.733 1.00 0.00 H new ATOM 0 HA LYS A 6 -10.424 -10.458 -5.356 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -8.218 -8.978 -4.316 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -7.666 -10.639 -4.408 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -9.055 -9.189 -6.719 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -7.314 -9.295 -6.550 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -8.827 -11.889 -6.345 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -8.783 -11.143 -7.930 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -6.290 -11.000 -7.815 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -6.312 -11.691 -6.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -5.877 -13.385 -7.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -7.358 -13.696 -7.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -7.337 -13.026 -8.669 1.00 0.00 H new ATOM 101 N CYS A 7 -8.967 -11.979 -2.805 1.00 0.00 N ATOM 102 CA CYS A 7 -8.836 -13.318 -2.173 1.00 0.00 C ATOM 103 C CYS A 7 -10.200 -13.789 -1.661 1.00 0.00 C ATOM 104 O CYS A 7 -10.430 -14.969 -1.484 1.00 0.00 O ATOM 105 CB CYS A 7 -7.845 -13.240 -1.009 1.00 0.00 C ATOM 106 SG CYS A 7 -6.377 -12.320 -1.532 1.00 0.00 S ATOM 0 H CYS A 7 -8.423 -11.236 -2.367 1.00 0.00 H new ATOM 0 HA CYS A 7 -8.470 -14.030 -2.913 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -8.310 -12.750 -0.153 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -7.564 -14.243 -0.688 1.00 0.00 H new ATOM 0 HG CYS A 7 -6.202 -11.299 -0.746 1.00 0.00 H new ATOM 111 N GLY A 8 -11.110 -12.883 -1.430 1.00 0.00 N ATOM 112 CA GLY A 8 -12.459 -13.289 -0.938 1.00 0.00 C ATOM 113 C GLY A 8 -12.335 -13.949 0.437 1.00 0.00 C ATOM 114 O GLY A 8 -13.285 -14.504 0.953 1.00 0.00 O ATOM 0 H GLY A 8 -10.979 -11.880 -1.560 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -13.110 -12.417 -0.875 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -12.920 -13.981 -1.643 1.00 0.00 H new ATOM 118 N LEU A 9 -11.175 -13.888 1.036 1.00 0.00 N ATOM 119 CA LEU A 9 -10.986 -14.506 2.382 1.00 0.00 C ATOM 120 C LEU A 9 -11.037 -13.403 3.442 1.00 0.00 C ATOM 121 O LEU A 9 -10.808 -12.247 3.144 1.00 0.00 O ATOM 122 CB LEU A 9 -9.619 -15.200 2.433 1.00 0.00 C ATOM 123 CG LEU A 9 -9.782 -16.705 2.189 1.00 0.00 C ATOM 124 CD1 LEU A 9 -10.300 -16.943 0.769 1.00 0.00 C ATOM 125 CD2 LEU A 9 -8.424 -17.392 2.351 1.00 0.00 C ATOM 0 H LEU A 9 -10.347 -13.435 0.650 1.00 0.00 H new ATOM 0 HA LEU A 9 -11.771 -15.238 2.571 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -8.957 -14.771 1.681 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -9.152 -15.030 3.403 1.00 0.00 H new ATOM 0 HG LEU A 9 -10.492 -17.114 2.908 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -10.415 -18.013 0.598 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -11.265 -16.450 0.646 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -9.590 -16.535 0.050 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -8.535 -18.463 2.178 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -7.719 -16.979 1.629 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -8.050 -17.224 3.361 1.00 0.00 H new ATOM 137 N PRO A 10 -11.334 -13.745 4.670 1.00 0.00 N ATOM 138 CA PRO A 10 -11.409 -12.744 5.769 1.00 0.00 C ATOM 139 C PRO A 10 -10.062 -12.068 6.016 1.00 0.00 C ATOM 140 O PRO A 10 -9.144 -12.646 6.562 1.00 0.00 O ATOM 141 CB PRO A 10 -11.852 -13.539 6.991 1.00 0.00 C ATOM 142 CG PRO A 10 -11.576 -14.973 6.670 1.00 0.00 C ATOM 143 CD PRO A 10 -11.627 -15.103 5.147 1.00 0.00 C ATOM 0 HA PRO A 10 -12.099 -11.936 5.527 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -11.305 -13.226 7.880 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -12.911 -13.382 7.196 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -10.600 -15.273 7.051 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -12.315 -15.623 7.138 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -10.894 -15.822 4.782 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -12.605 -15.444 4.807 1.00 0.00 H new ATOM 151 N ILE A 11 -9.952 -10.845 5.598 1.00 0.00 N ATOM 152 CA ILE A 11 -8.684 -10.086 5.771 1.00 0.00 C ATOM 153 C ILE A 11 -8.241 -10.105 7.235 1.00 0.00 C ATOM 154 O ILE A 11 -8.948 -9.662 8.117 1.00 0.00 O ATOM 155 CB ILE A 11 -8.917 -8.638 5.343 1.00 0.00 C ATOM 156 CG1 ILE A 11 -9.252 -8.582 3.850 1.00 0.00 C ATOM 157 CG2 ILE A 11 -7.651 -7.833 5.602 1.00 0.00 C ATOM 158 CD1 ILE A 11 -9.966 -7.263 3.535 1.00 0.00 C ATOM 0 H ILE A 11 -10.699 -10.327 5.135 1.00 0.00 H new ATOM 0 HA ILE A 11 -7.907 -10.548 5.162 1.00 0.00 H new ATOM 0 HB ILE A 11 -9.748 -8.223 5.913 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -8.340 -8.664 3.259 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -9.886 -9.425 3.577 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -7.810 -6.798 5.299 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -7.409 -7.867 6.664 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -6.827 -8.257 5.028 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -10.204 -7.223 2.472 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -10.886 -7.200 4.116 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -9.316 -6.427 3.793 1.00 0.00 H new ATOM 170 N LYS A 12 -7.054 -10.585 7.490 1.00 0.00 N ATOM 171 CA LYS A 12 -6.542 -10.600 8.886 1.00 0.00 C ATOM 172 C LYS A 12 -5.891 -9.243 9.162 1.00 0.00 C ATOM 173 O LYS A 12 -5.905 -8.745 10.270 1.00 0.00 O ATOM 174 CB LYS A 12 -5.504 -11.714 9.048 1.00 0.00 C ATOM 175 CG LYS A 12 -4.665 -11.831 7.773 1.00 0.00 C ATOM 176 CD LYS A 12 -5.242 -12.933 6.881 1.00 0.00 C ATOM 177 CE LYS A 12 -4.439 -13.010 5.582 1.00 0.00 C ATOM 178 NZ LYS A 12 -3.046 -13.445 5.883 1.00 0.00 N ATOM 0 H LYS A 12 -6.418 -10.967 6.790 1.00 0.00 H new ATOM 0 HA LYS A 12 -7.357 -10.782 9.587 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -4.859 -11.501 9.900 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -6.003 -12.661 9.254 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -4.661 -10.881 7.239 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -3.629 -12.058 8.026 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -5.207 -13.891 7.400 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -6.290 -12.727 6.662 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -4.909 -13.711 4.893 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -4.429 -12.037 5.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -2.694 -14.043 5.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -2.435 -12.609 5.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -3.036 -13.987 6.771 1.00 0.00 H new ATOM 192 N VAL A 13 -5.335 -8.640 8.142 1.00 0.00 N ATOM 193 CA VAL A 13 -4.694 -7.308 8.302 1.00 0.00 C ATOM 194 C VAL A 13 -5.073 -6.448 7.097 1.00 0.00 C ATOM 195 O VAL A 13 -5.220 -6.935 5.999 1.00 0.00 O ATOM 196 CB VAL A 13 -3.184 -7.464 8.350 1.00 0.00 C ATOM 197 CG1 VAL A 13 -2.575 -6.320 9.165 1.00 0.00 C ATOM 198 CG2 VAL A 13 -2.823 -8.803 8.998 1.00 0.00 C ATOM 0 H VAL A 13 -5.300 -9.021 7.197 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.031 -6.841 9.228 1.00 0.00 H new ATOM 0 HB VAL A 13 -2.788 -7.437 7.335 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.491 -6.434 9.198 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -2.826 -5.367 8.699 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -2.974 -6.343 10.179 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -1.739 -8.911 9.030 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -3.221 -8.836 10.012 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -3.251 -9.617 8.414 1.00 0.00 H new ATOM 208 N TYR A 14 -5.246 -5.178 7.288 1.00 0.00 N ATOM 209 CA TYR A 14 -5.646 -4.314 6.148 1.00 0.00 C ATOM 210 C TYR A 14 -4.458 -4.031 5.238 1.00 0.00 C ATOM 211 O TYR A 14 -3.661 -3.148 5.485 1.00 0.00 O ATOM 212 CB TYR A 14 -6.199 -2.997 6.670 1.00 0.00 C ATOM 213 CG TYR A 14 -7.686 -3.121 6.942 1.00 0.00 C ATOM 214 CD1 TYR A 14 -8.237 -4.332 7.390 1.00 0.00 C ATOM 215 CD2 TYR A 14 -8.518 -2.014 6.739 1.00 0.00 C ATOM 216 CE1 TYR A 14 -9.613 -4.428 7.631 1.00 0.00 C ATOM 217 CE2 TYR A 14 -9.893 -2.112 6.980 1.00 0.00 C ATOM 218 CZ TYR A 14 -10.440 -3.319 7.425 1.00 0.00 C ATOM 219 OH TYR A 14 -11.796 -3.416 7.661 1.00 0.00 O ATOM 0 H TYR A 14 -5.129 -4.699 8.181 1.00 0.00 H new ATOM 0 HA TYR A 14 -6.411 -4.838 5.575 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -5.678 -2.713 7.584 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -6.020 -2.206 5.942 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -7.600 -5.189 7.549 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -8.097 -1.081 6.395 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -10.036 -5.360 7.976 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -10.531 -1.255 6.822 1.00 0.00 H new ATOM 0 HH TYR A 14 -12.092 -4.335 7.493 1.00 0.00 H new ATOM 229 N GLY A 15 -4.362 -4.761 4.172 1.00 0.00 N ATOM 230 CA GLY A 15 -3.258 -4.535 3.206 1.00 0.00 C ATOM 231 C GLY A 15 -3.590 -3.286 2.406 1.00 0.00 C ATOM 232 O GLY A 15 -4.212 -3.353 1.367 1.00 0.00 O ATOM 0 H GLY A 15 -5.006 -5.512 3.924 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -2.310 -4.412 3.731 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -3.147 -5.394 2.545 1.00 0.00 H new ATOM 236 N ARG A 16 -3.195 -2.150 2.900 1.00 0.00 N ATOM 237 CA ARG A 16 -3.506 -0.873 2.194 1.00 0.00 C ATOM 238 C ARG A 16 -2.580 -0.691 0.996 1.00 0.00 C ATOM 239 O ARG A 16 -1.411 -1.009 1.054 1.00 0.00 O ATOM 240 CB ARG A 16 -3.320 0.299 3.155 1.00 0.00 C ATOM 241 CG ARG A 16 -3.334 1.607 2.359 1.00 0.00 C ATOM 242 CD ARG A 16 -3.920 2.734 3.211 1.00 0.00 C ATOM 243 NE ARG A 16 -4.035 3.962 2.379 1.00 0.00 N ATOM 244 CZ ARG A 16 -3.017 4.772 2.255 1.00 0.00 C ATOM 245 NH1 ARG A 16 -1.885 4.499 2.846 1.00 0.00 N ATOM 246 NH2 ARG A 16 -3.128 5.851 1.531 1.00 0.00 N ATOM 0 H ARG A 16 -2.667 -2.047 3.767 1.00 0.00 H new ATOM 0 HA ARG A 16 -4.538 -0.907 1.845 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -4.115 0.304 3.900 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -2.378 0.197 3.694 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -2.321 1.864 2.049 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -3.924 1.483 1.451 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -4.899 2.446 3.594 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -3.283 2.923 4.075 1.00 0.00 H new ATOM 0 HE ARG A 16 -4.912 4.173 1.903 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -1.794 3.652 3.406 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -1.092 5.133 2.747 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -4.009 6.062 1.062 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -2.334 6.484 1.434 1.00 0.00 H new ATOM 260 N MET A 17 -3.105 -0.178 -0.088 1.00 0.00 N ATOM 261 CA MET A 17 -2.271 0.036 -1.304 1.00 0.00 C ATOM 262 C MET A 17 -2.441 1.464 -1.814 1.00 0.00 C ATOM 263 O MET A 17 -3.549 1.958 -1.952 1.00 0.00 O ATOM 264 CB MET A 17 -2.713 -0.922 -2.403 1.00 0.00 C ATOM 265 CG MET A 17 -3.111 -2.256 -1.783 1.00 0.00 C ATOM 266 SD MET A 17 -3.404 -3.465 -3.098 1.00 0.00 S ATOM 267 CE MET A 17 -1.679 -3.854 -3.492 1.00 0.00 C ATOM 0 H MET A 17 -4.081 0.103 -0.181 1.00 0.00 H new ATOM 0 HA MET A 17 -1.227 -0.141 -1.044 1.00 0.00 H new ATOM 0 HB2 MET A 17 -3.554 -0.499 -2.953 1.00 0.00 H new ATOM 0 HB3 MET A 17 -1.905 -1.068 -3.120 1.00 0.00 H new ATOM 0 HG2 MET A 17 -2.324 -2.610 -1.117 1.00 0.00 H new ATOM 0 HG3 MET A 17 -4.010 -2.135 -1.178 1.00 0.00 H new ATOM 0 HE1 MET A 17 -1.534 -3.813 -4.572 1.00 0.00 H new ATOM 0 HE2 MET A 17 -1.023 -3.129 -3.010 1.00 0.00 H new ATOM 0 HE3 MET A 17 -1.440 -4.855 -3.132 1.00 0.00 H new ATOM 277 N ILE A 18 -1.342 2.113 -2.113 1.00 0.00 N ATOM 278 CA ILE A 18 -1.392 3.507 -2.639 1.00 0.00 C ATOM 279 C ILE A 18 -0.827 3.517 -4.066 1.00 0.00 C ATOM 280 O ILE A 18 -0.059 2.650 -4.426 1.00 0.00 O ATOM 281 CB ILE A 18 -0.535 4.419 -1.755 1.00 0.00 C ATOM 282 CG1 ILE A 18 0.535 3.599 -1.048 1.00 0.00 C ATOM 283 CG2 ILE A 18 -1.418 5.096 -0.707 1.00 0.00 C ATOM 284 CD1 ILE A 18 1.474 4.532 -0.277 1.00 0.00 C ATOM 0 H ILE A 18 -0.403 1.729 -2.013 1.00 0.00 H new ATOM 0 HA ILE A 18 -2.422 3.864 -2.639 1.00 0.00 H new ATOM 0 HB ILE A 18 -0.061 5.174 -2.381 1.00 0.00 H new ATOM 0 HG12 ILE A 18 0.070 2.889 -0.364 1.00 0.00 H new ATOM 0 HG13 ILE A 18 1.101 3.017 -1.775 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -0.806 5.744 -0.079 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -2.183 5.691 -1.205 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -1.895 4.336 -0.088 1.00 0.00 H new ATOM 0 HD11 ILE A 18 2.239 3.942 0.228 1.00 0.00 H new ATOM 0 HD12 ILE A 18 1.950 5.225 -0.971 1.00 0.00 H new ATOM 0 HD13 ILE A 18 0.903 5.094 0.462 1.00 0.00 H new ATOM 296 N PRO A 19 -1.190 4.485 -4.878 1.00 0.00 N ATOM 297 CA PRO A 19 -2.128 5.582 -4.506 1.00 0.00 C ATOM 298 C PRO A 19 -3.583 5.133 -4.626 1.00 0.00 C ATOM 299 O PRO A 19 -4.504 5.897 -4.412 1.00 0.00 O ATOM 300 CB PRO A 19 -1.819 6.672 -5.527 1.00 0.00 C ATOM 301 CG PRO A 19 -1.350 5.947 -6.746 1.00 0.00 C ATOM 302 CD PRO A 19 -0.733 4.626 -6.272 1.00 0.00 C ATOM 0 HA PRO A 19 -2.003 5.908 -3.474 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -2.703 7.272 -5.742 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -1.054 7.354 -5.156 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -2.180 5.762 -7.428 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -0.617 6.542 -7.290 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -1.067 3.789 -6.886 1.00 0.00 H new ATOM 0 HD3 PRO A 19 0.355 4.652 -6.332 1.00 0.00 H new ATOM 310 N CYS A 20 -3.790 3.893 -4.968 1.00 0.00 N ATOM 311 CA CYS A 20 -5.174 3.373 -5.106 1.00 0.00 C ATOM 312 C CYS A 20 -5.942 3.671 -3.824 1.00 0.00 C ATOM 313 O CYS A 20 -7.104 4.027 -3.846 1.00 0.00 O ATOM 314 CB CYS A 20 -5.121 1.860 -5.330 1.00 0.00 C ATOM 315 SG CYS A 20 -6.402 1.372 -6.512 1.00 0.00 S ATOM 0 H CYS A 20 -3.053 3.214 -5.159 1.00 0.00 H new ATOM 0 HA CYS A 20 -5.671 3.848 -5.952 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -4.139 1.572 -5.705 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -5.267 1.338 -4.385 1.00 0.00 H new ATOM 0 HG CYS A 20 -7.433 0.910 -5.869 1.00 0.00 H new ATOM 320 N LYS A 21 -5.298 3.517 -2.703 1.00 0.00 N ATOM 321 CA LYS A 21 -5.977 3.777 -1.410 1.00 0.00 C ATOM 322 C LYS A 21 -6.978 2.657 -1.174 1.00 0.00 C ATOM 323 O LYS A 21 -8.015 2.850 -0.568 1.00 0.00 O ATOM 324 CB LYS A 21 -6.704 5.122 -1.465 1.00 0.00 C ATOM 325 CG LYS A 21 -6.513 5.856 -0.138 1.00 0.00 C ATOM 326 CD LYS A 21 -7.270 7.183 -0.175 1.00 0.00 C ATOM 327 CE LYS A 21 -6.391 8.290 0.409 1.00 0.00 C ATOM 328 NZ LYS A 21 -5.143 8.412 -0.398 1.00 0.00 N ATOM 0 H LYS A 21 -4.325 3.220 -2.629 1.00 0.00 H new ATOM 0 HA LYS A 21 -5.249 3.812 -0.599 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -6.316 5.725 -2.286 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -7.765 4.967 -1.658 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -6.876 5.241 0.685 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -5.453 6.035 0.041 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -7.547 7.427 -1.201 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -8.196 7.101 0.394 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -6.931 9.237 0.408 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -6.145 8.064 1.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -4.872 9.414 -0.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -4.378 7.878 0.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -5.307 8.030 -1.351 1.00 0.00 H new ATOM 342 N HIS A 22 -6.668 1.484 -1.661 1.00 0.00 N ATOM 343 CA HIS A 22 -7.593 0.328 -1.485 1.00 0.00 C ATOM 344 C HIS A 22 -7.038 -0.604 -0.413 1.00 0.00 C ATOM 345 O HIS A 22 -5.940 -0.411 0.065 1.00 0.00 O ATOM 346 CB HIS A 22 -7.715 -0.440 -2.803 1.00 0.00 C ATOM 347 CG HIS A 22 -8.751 0.210 -3.676 1.00 0.00 C ATOM 348 ND1 HIS A 22 -8.525 0.465 -5.021 1.00 0.00 N ATOM 349 CD2 HIS A 22 -10.025 0.658 -3.419 1.00 0.00 C ATOM 350 CE1 HIS A 22 -9.635 1.040 -5.519 1.00 0.00 C ATOM 351 NE2 HIS A 22 -10.576 1.178 -4.583 1.00 0.00 N ATOM 0 H HIS A 22 -5.811 1.277 -2.174 1.00 0.00 H new ATOM 0 HA HIS A 22 -8.575 0.694 -1.185 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -6.753 -0.457 -3.315 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -7.990 -1.476 -2.607 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -10.521 0.613 -2.460 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -9.750 1.351 -6.547 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -11.506 1.581 -4.698 1.00 0.00 H new ATOM 359 N VAL A 23 -7.784 -1.620 -0.041 1.00 0.00 N ATOM 360 CA VAL A 23 -7.287 -2.571 0.997 1.00 0.00 C ATOM 361 C VAL A 23 -7.414 -4.010 0.503 1.00 0.00 C ATOM 362 O VAL A 23 -8.187 -4.313 -0.383 1.00 0.00 O ATOM 363 CB VAL A 23 -8.098 -2.444 2.280 1.00 0.00 C ATOM 364 CG1 VAL A 23 -7.156 -2.470 3.483 1.00 0.00 C ATOM 365 CG2 VAL A 23 -8.887 -1.135 2.268 1.00 0.00 C ATOM 0 H VAL A 23 -8.711 -1.828 -0.412 1.00 0.00 H new ATOM 0 HA VAL A 23 -6.243 -2.326 1.191 1.00 0.00 H new ATOM 0 HB VAL A 23 -8.796 -3.278 2.349 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -7.736 -2.379 4.401 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -6.605 -3.410 3.493 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -6.454 -1.639 3.414 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -9.465 -1.050 3.188 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -8.197 -0.295 2.194 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -9.563 -1.125 1.413 1.00 0.00 H new ATOM 375 N PHE A 24 -6.667 -4.892 1.105 1.00 0.00 N ATOM 376 CA PHE A 24 -6.712 -6.342 0.727 1.00 0.00 C ATOM 377 C PHE A 24 -6.004 -7.133 1.819 1.00 0.00 C ATOM 378 O PHE A 24 -5.404 -6.565 2.707 1.00 0.00 O ATOM 379 CB PHE A 24 -5.956 -6.599 -0.584 1.00 0.00 C ATOM 380 CG PHE A 24 -6.504 -5.755 -1.704 1.00 0.00 C ATOM 381 CD1 PHE A 24 -5.996 -4.473 -1.912 1.00 0.00 C ATOM 382 CD2 PHE A 24 -7.501 -6.260 -2.543 1.00 0.00 C ATOM 383 CE1 PHE A 24 -6.485 -3.686 -2.957 1.00 0.00 C ATOM 384 CE2 PHE A 24 -7.989 -5.478 -3.595 1.00 0.00 C ATOM 385 CZ PHE A 24 -7.482 -4.189 -3.803 1.00 0.00 C ATOM 0 H PHE A 24 -6.014 -4.670 1.857 1.00 0.00 H new ATOM 0 HA PHE A 24 -7.754 -6.638 0.606 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -4.897 -6.380 -0.445 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -6.031 -7.653 -0.849 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -5.223 -4.088 -1.264 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -7.894 -7.253 -2.379 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -6.095 -2.691 -3.113 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -8.757 -5.868 -4.247 1.00 0.00 H new ATOM 0 HZ PHE A 24 -7.859 -3.584 -4.614 1.00 0.00 H new ATOM 395 N CYS A 25 -6.026 -8.433 1.755 1.00 0.00 N ATOM 396 CA CYS A 25 -5.297 -9.205 2.798 1.00 0.00 C ATOM 397 C CYS A 25 -3.813 -8.853 2.682 1.00 0.00 C ATOM 398 O CYS A 25 -3.183 -9.127 1.681 1.00 0.00 O ATOM 399 CB CYS A 25 -5.488 -10.712 2.594 1.00 0.00 C ATOM 400 SG CYS A 25 -6.593 -11.020 1.200 1.00 0.00 S ATOM 0 H CYS A 25 -6.505 -8.985 1.044 1.00 0.00 H new ATOM 0 HA CYS A 25 -5.683 -8.951 3.785 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -4.523 -11.187 2.414 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -5.900 -11.159 3.499 1.00 0.00 H new ATOM 0 HG CYS A 25 -6.184 -12.066 0.545 1.00 0.00 H new ATOM 405 N TYR A 26 -3.250 -8.234 3.684 1.00 0.00 N ATOM 406 CA TYR A 26 -1.809 -7.859 3.597 1.00 0.00 C ATOM 407 C TYR A 26 -0.983 -9.064 3.151 1.00 0.00 C ATOM 408 O TYR A 26 0.104 -8.916 2.634 1.00 0.00 O ATOM 409 CB TYR A 26 -1.323 -7.356 4.960 1.00 0.00 C ATOM 410 CG TYR A 26 0.114 -6.874 4.861 1.00 0.00 C ATOM 411 CD1 TYR A 26 0.463 -5.828 3.989 1.00 0.00 C ATOM 412 CD2 TYR A 26 1.100 -7.479 5.649 1.00 0.00 C ATOM 413 CE1 TYR A 26 1.792 -5.397 3.911 1.00 0.00 C ATOM 414 CE2 TYR A 26 2.428 -7.044 5.569 1.00 0.00 C ATOM 415 CZ TYR A 26 2.775 -6.005 4.700 1.00 0.00 C ATOM 416 OH TYR A 26 4.084 -5.578 4.621 1.00 0.00 O ATOM 0 H TYR A 26 -3.720 -7.974 4.551 1.00 0.00 H new ATOM 0 HA TYR A 26 -1.688 -7.062 2.863 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -1.963 -6.544 5.305 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -1.396 -8.155 5.698 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -0.294 -5.357 3.380 1.00 0.00 H new ATOM 0 HD2 TYR A 26 0.836 -8.283 6.320 1.00 0.00 H new ATOM 0 HE1 TYR A 26 2.060 -4.594 3.241 1.00 0.00 H new ATOM 0 HE2 TYR A 26 3.186 -7.512 6.180 1.00 0.00 H new ATOM 0 HH TYR A 26 4.637 -6.104 5.235 1.00 0.00 H new ATOM 426 N ASP A 27 -1.488 -10.253 3.325 1.00 0.00 N ATOM 427 CA ASP A 27 -0.716 -11.448 2.882 1.00 0.00 C ATOM 428 C ASP A 27 -0.789 -11.537 1.359 1.00 0.00 C ATOM 429 O ASP A 27 0.183 -11.822 0.685 1.00 0.00 O ATOM 430 CB ASP A 27 -1.311 -12.712 3.507 1.00 0.00 C ATOM 431 CG ASP A 27 -0.680 -13.947 2.859 1.00 0.00 C ATOM 432 OD1 ASP A 27 0.493 -14.181 3.096 1.00 0.00 O ATOM 433 OD2 ASP A 27 -1.382 -14.636 2.137 1.00 0.00 O ATOM 0 H ASP A 27 -2.394 -10.449 3.751 1.00 0.00 H new ATOM 0 HA ASP A 27 0.323 -11.359 3.199 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -1.130 -12.719 4.582 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -2.392 -12.726 3.366 1.00 0.00 H new ATOM 438 N CYS A 28 -1.933 -11.280 0.807 1.00 0.00 N ATOM 439 CA CYS A 28 -2.058 -11.328 -0.666 1.00 0.00 C ATOM 440 C CYS A 28 -1.582 -9.994 -1.228 1.00 0.00 C ATOM 441 O CYS A 28 -1.190 -9.892 -2.374 1.00 0.00 O ATOM 442 CB CYS A 28 -3.513 -11.576 -1.063 1.00 0.00 C ATOM 443 SG CYS A 28 -4.194 -10.082 -1.824 1.00 0.00 S ATOM 0 H CYS A 28 -2.786 -11.039 1.312 1.00 0.00 H new ATOM 0 HA CYS A 28 -1.453 -12.141 -1.067 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -3.574 -12.412 -1.760 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -4.099 -11.850 -0.186 1.00 0.00 H new ATOM 0 HG CYS A 28 -5.424 -10.300 -2.184 1.00 0.00 H new ATOM 448 N ALA A 29 -1.594 -8.968 -0.420 1.00 0.00 N ATOM 449 CA ALA A 29 -1.127 -7.650 -0.899 1.00 0.00 C ATOM 450 C ALA A 29 0.384 -7.722 -1.091 1.00 0.00 C ATOM 451 O ALA A 29 0.935 -7.112 -1.988 1.00 0.00 O ATOM 452 CB ALA A 29 -1.485 -6.572 0.132 1.00 0.00 C ATOM 0 H ALA A 29 -1.908 -8.993 0.550 1.00 0.00 H new ATOM 0 HA ALA A 29 -1.606 -7.394 -1.844 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -1.140 -5.601 -0.222 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -2.566 -6.545 0.270 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -1.004 -6.803 1.082 1.00 0.00 H new ATOM 458 N ILE A 30 1.067 -8.483 -0.273 1.00 0.00 N ATOM 459 CA ILE A 30 2.531 -8.594 -0.446 1.00 0.00 C ATOM 460 C ILE A 30 2.814 -9.583 -1.566 1.00 0.00 C ATOM 461 O ILE A 30 3.722 -9.398 -2.353 1.00 0.00 O ATOM 462 CB ILE A 30 3.185 -9.038 0.862 1.00 0.00 C ATOM 463 CG1 ILE A 30 2.683 -10.413 1.303 1.00 0.00 C ATOM 464 CG2 ILE A 30 2.826 -8.025 1.935 1.00 0.00 C ATOM 465 CD1 ILE A 30 3.494 -10.887 2.512 1.00 0.00 C ATOM 0 H ILE A 30 0.672 -9.023 0.497 1.00 0.00 H new ATOM 0 HA ILE A 30 2.952 -7.624 -0.711 1.00 0.00 H new ATOM 0 HB ILE A 30 4.263 -9.101 0.711 1.00 0.00 H new ATOM 0 HG12 ILE A 30 1.625 -10.361 1.559 1.00 0.00 H new ATOM 0 HG13 ILE A 30 2.778 -11.127 0.485 1.00 0.00 H new ATOM 0 HG21 ILE A 30 3.282 -8.320 2.880 1.00 0.00 H new ATOM 0 HG22 ILE A 30 3.196 -7.041 1.645 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.743 -7.986 2.051 1.00 0.00 H new ATOM 0 HD11 ILE A 30 3.137 -11.867 2.828 1.00 0.00 H new ATOM 0 HD12 ILE A 30 4.547 -10.955 2.240 1.00 0.00 H new ATOM 0 HD13 ILE A 30 3.376 -10.177 3.331 1.00 0.00 H new ATOM 477 N LEU A 31 2.036 -10.627 -1.666 1.00 0.00 N ATOM 478 CA LEU A 31 2.280 -11.596 -2.770 1.00 0.00 C ATOM 479 C LEU A 31 2.106 -10.857 -4.093 1.00 0.00 C ATOM 480 O LEU A 31 2.814 -11.097 -5.053 1.00 0.00 O ATOM 481 CB LEU A 31 1.280 -12.755 -2.700 1.00 0.00 C ATOM 482 CG LEU A 31 1.623 -13.676 -1.523 1.00 0.00 C ATOM 483 CD1 LEU A 31 0.373 -14.452 -1.105 1.00 0.00 C ATOM 484 CD2 LEU A 31 2.714 -14.672 -1.936 1.00 0.00 C ATOM 0 H LEU A 31 1.258 -10.848 -1.045 1.00 0.00 H new ATOM 0 HA LEU A 31 3.286 -12.006 -2.683 1.00 0.00 H new ATOM 0 HB2 LEU A 31 0.268 -12.366 -2.585 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.300 -13.320 -3.632 1.00 0.00 H new ATOM 0 HG LEU A 31 1.982 -13.070 -0.691 1.00 0.00 H new ATOM 0 HD11 LEU A 31 0.615 -15.108 -0.268 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.406 -13.752 -0.804 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.019 -15.051 -1.944 1.00 0.00 H new ATOM 0 HD21 LEU A 31 2.951 -15.322 -1.094 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.358 -15.275 -2.771 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.609 -14.127 -2.237 1.00 0.00 H new ATOM 496 N HIS A 32 1.177 -9.939 -4.146 1.00 0.00 N ATOM 497 CA HIS A 32 0.966 -9.170 -5.400 1.00 0.00 C ATOM 498 C HIS A 32 2.157 -8.241 -5.607 1.00 0.00 C ATOM 499 O HIS A 32 2.640 -8.066 -6.709 1.00 0.00 O ATOM 500 CB HIS A 32 -0.319 -8.347 -5.289 1.00 0.00 C ATOM 501 CG HIS A 32 -1.455 -9.113 -5.908 1.00 0.00 C ATOM 502 ND1 HIS A 32 -1.744 -9.042 -7.264 1.00 0.00 N ATOM 503 CD2 HIS A 32 -2.382 -9.975 -5.372 1.00 0.00 C ATOM 504 CE1 HIS A 32 -2.803 -9.840 -7.496 1.00 0.00 C ATOM 505 NE2 HIS A 32 -3.228 -10.428 -6.377 1.00 0.00 N ATOM 0 H HIS A 32 0.558 -9.691 -3.374 1.00 0.00 H new ATOM 0 HA HIS A 32 0.876 -9.852 -6.245 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -0.538 -8.132 -4.243 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -0.195 -7.388 -5.792 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -2.443 -10.257 -4.331 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -3.252 -9.986 -8.467 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -4.010 -11.075 -6.279 1.00 0.00 H new ATOM 514 N GLU A 33 2.641 -7.648 -4.552 1.00 0.00 N ATOM 515 CA GLU A 33 3.810 -6.738 -4.684 1.00 0.00 C ATOM 516 C GLU A 33 5.014 -7.551 -5.159 1.00 0.00 C ATOM 517 O GLU A 33 5.807 -7.098 -5.961 1.00 0.00 O ATOM 518 CB GLU A 33 4.093 -6.071 -3.325 1.00 0.00 C ATOM 519 CG GLU A 33 5.474 -6.459 -2.775 1.00 0.00 C ATOM 520 CD GLU A 33 5.680 -5.784 -1.418 1.00 0.00 C ATOM 521 OE1 GLU A 33 4.693 -5.555 -0.737 1.00 0.00 O ATOM 522 OE2 GLU A 33 6.818 -5.506 -1.082 1.00 0.00 O ATOM 0 H GLU A 33 2.277 -7.755 -3.605 1.00 0.00 H new ATOM 0 HA GLU A 33 3.605 -5.954 -5.413 1.00 0.00 H new ATOM 0 HB2 GLU A 33 4.036 -4.988 -3.433 1.00 0.00 H new ATOM 0 HB3 GLU A 33 3.323 -6.361 -2.610 1.00 0.00 H new ATOM 0 HG2 GLU A 33 5.547 -7.542 -2.671 1.00 0.00 H new ATOM 0 HG3 GLU A 33 6.255 -6.152 -3.470 1.00 0.00 H new ATOM 529 N LYS A 34 5.156 -8.753 -4.674 1.00 0.00 N ATOM 530 CA LYS A 34 6.305 -9.590 -5.104 1.00 0.00 C ATOM 531 C LYS A 34 6.043 -10.098 -6.519 1.00 0.00 C ATOM 532 O LYS A 34 6.949 -10.497 -7.225 1.00 0.00 O ATOM 533 CB LYS A 34 6.459 -10.778 -4.152 1.00 0.00 C ATOM 534 CG LYS A 34 7.366 -10.384 -2.986 1.00 0.00 C ATOM 535 CD LYS A 34 7.018 -11.229 -1.758 1.00 0.00 C ATOM 536 CE LYS A 34 8.172 -11.173 -0.756 1.00 0.00 C ATOM 537 NZ LYS A 34 7.666 -11.521 0.602 1.00 0.00 N ATOM 0 H LYS A 34 4.527 -9.189 -4.000 1.00 0.00 H new ATOM 0 HA LYS A 34 7.220 -8.999 -5.087 1.00 0.00 H new ATOM 0 HB2 LYS A 34 5.483 -11.087 -3.779 1.00 0.00 H new ATOM 0 HB3 LYS A 34 6.882 -11.631 -4.683 1.00 0.00 H new ATOM 0 HG2 LYS A 34 8.411 -10.533 -3.258 1.00 0.00 H new ATOM 0 HG3 LYS A 34 7.244 -9.325 -2.758 1.00 0.00 H new ATOM 0 HD2 LYS A 34 6.103 -10.858 -1.296 1.00 0.00 H new ATOM 0 HD3 LYS A 34 6.830 -12.261 -2.055 1.00 0.00 H new ATOM 0 HE2 LYS A 34 8.959 -11.867 -1.052 1.00 0.00 H new ATOM 0 HE3 LYS A 34 8.613 -10.176 -0.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 8.450 -11.483 1.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 6.930 -10.842 0.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 7.265 -12.481 0.588 1.00 0.00 H new ATOM 614 N MET A 39 0.778 -3.473 -9.262 1.00 0.00 N ATOM 615 CA MET A 39 -0.593 -3.734 -9.789 1.00 0.00 C ATOM 616 C MET A 39 -1.535 -4.142 -8.654 1.00 0.00 C ATOM 617 O MET A 39 -1.344 -5.145 -7.996 1.00 0.00 O ATOM 618 CB MET A 39 -0.539 -4.846 -10.838 1.00 0.00 C ATOM 619 CG MET A 39 -0.241 -6.182 -10.156 1.00 0.00 C ATOM 620 SD MET A 39 0.551 -7.297 -11.340 1.00 0.00 S ATOM 621 CE MET A 39 -0.958 -7.835 -12.181 1.00 0.00 C ATOM 0 HA MET A 39 -0.971 -2.820 -10.246 1.00 0.00 H new ATOM 0 HB2 MET A 39 -1.488 -4.902 -11.372 1.00 0.00 H new ATOM 0 HB3 MET A 39 0.230 -4.625 -11.578 1.00 0.00 H new ATOM 0 HG2 MET A 39 0.409 -6.026 -9.295 1.00 0.00 H new ATOM 0 HG3 MET A 39 -1.164 -6.626 -9.782 1.00 0.00 H new ATOM 0 HE1 MET A 39 -0.703 -8.544 -12.969 1.00 0.00 H new ATOM 0 HE2 MET A 39 -1.623 -8.315 -11.463 1.00 0.00 H new ATOM 0 HE3 MET A 39 -1.459 -6.971 -12.618 1.00 0.00 H new ATOM 631 N CYS A 40 -2.555 -3.357 -8.423 1.00 0.00 N ATOM 632 CA CYS A 40 -3.522 -3.678 -7.336 1.00 0.00 C ATOM 633 C CYS A 40 -4.203 -5.025 -7.654 1.00 0.00 C ATOM 634 O CYS A 40 -4.481 -5.307 -8.803 1.00 0.00 O ATOM 635 CB CYS A 40 -4.584 -2.575 -7.271 1.00 0.00 C ATOM 636 SG CYS A 40 -5.058 -2.274 -5.550 1.00 0.00 S ATOM 0 H CYS A 40 -2.759 -2.504 -8.944 1.00 0.00 H new ATOM 0 HA CYS A 40 -3.003 -3.744 -6.380 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -4.196 -1.659 -7.716 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -5.459 -2.866 -7.852 1.00 0.00 H new ATOM 0 HG CYS A 40 -4.121 -2.707 -4.760 1.00 0.00 H new ATOM 641 N PRO A 41 -4.487 -5.856 -6.669 1.00 0.00 N ATOM 642 CA PRO A 41 -5.153 -7.166 -6.921 1.00 0.00 C ATOM 643 C PRO A 41 -6.440 -7.009 -7.733 1.00 0.00 C ATOM 644 O PRO A 41 -6.773 -7.848 -8.547 1.00 0.00 O ATOM 645 CB PRO A 41 -5.486 -7.706 -5.529 1.00 0.00 C ATOM 646 CG PRO A 41 -4.594 -6.985 -4.580 1.00 0.00 C ATOM 647 CD PRO A 41 -4.215 -5.657 -5.233 1.00 0.00 C ATOM 0 HA PRO A 41 -4.508 -7.828 -7.499 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -6.534 -7.534 -5.285 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -5.320 -8.782 -5.479 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -5.101 -6.815 -3.630 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -3.703 -7.576 -4.365 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -4.804 -4.834 -4.828 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -3.167 -5.414 -5.058 1.00 0.00 H new ATOM 655 N GLY A 42 -7.169 -5.948 -7.499 1.00 0.00 N ATOM 656 CA GLY A 42 -8.453 -5.734 -8.238 1.00 0.00 C ATOM 657 C GLY A 42 -8.343 -4.529 -9.177 1.00 0.00 C ATOM 658 O GLY A 42 -8.765 -4.581 -10.315 1.00 0.00 O ATOM 0 H GLY A 42 -6.931 -5.218 -6.827 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -8.701 -6.627 -8.812 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -9.265 -5.575 -7.528 1.00 0.00 H new ATOM 662 N CYS A 43 -7.800 -3.438 -8.711 1.00 0.00 N ATOM 663 CA CYS A 43 -7.693 -2.232 -9.581 1.00 0.00 C ATOM 664 C CYS A 43 -6.476 -2.344 -10.501 1.00 0.00 C ATOM 665 O CYS A 43 -6.357 -1.622 -11.470 1.00 0.00 O ATOM 666 CB CYS A 43 -7.552 -0.988 -8.705 1.00 0.00 C ATOM 667 SG CYS A 43 -8.578 -1.177 -7.227 1.00 0.00 S ATOM 0 H CYS A 43 -7.427 -3.329 -7.768 1.00 0.00 H new ATOM 0 HA CYS A 43 -8.592 -2.157 -10.193 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -6.509 -0.845 -8.422 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -7.856 -0.101 -9.261 1.00 0.00 H new ATOM 0 HG CYS A 43 -8.068 -0.483 -6.253 1.00 0.00 H new ATOM 672 N SER A 44 -5.568 -3.232 -10.210 1.00 0.00 N ATOM 673 CA SER A 44 -4.365 -3.363 -11.079 1.00 0.00 C ATOM 674 C SER A 44 -3.761 -1.976 -11.305 1.00 0.00 C ATOM 675 O SER A 44 -3.271 -1.665 -12.372 1.00 0.00 O ATOM 676 CB SER A 44 -4.771 -3.969 -12.423 1.00 0.00 C ATOM 677 OG SER A 44 -3.604 -4.371 -13.128 1.00 0.00 O ATOM 0 H SER A 44 -5.605 -3.869 -9.414 1.00 0.00 H new ATOM 0 HA SER A 44 -3.631 -4.011 -10.599 1.00 0.00 H new ATOM 0 HB2 SER A 44 -5.428 -4.825 -12.266 1.00 0.00 H new ATOM 0 HB3 SER A 44 -5.331 -3.241 -13.009 1.00 0.00 H new ATOM 0 HG SER A 44 -2.985 -3.614 -13.194 1.00 0.00 H new ATOM 683 N ASP A 45 -3.795 -1.139 -10.303 1.00 0.00 N ATOM 684 CA ASP A 45 -3.229 0.231 -10.446 1.00 0.00 C ATOM 685 C ASP A 45 -1.758 0.208 -10.031 1.00 0.00 C ATOM 686 O ASP A 45 -1.317 -0.695 -9.354 1.00 0.00 O ATOM 687 CB ASP A 45 -4.005 1.193 -9.542 1.00 0.00 C ATOM 688 CG ASP A 45 -4.880 2.108 -10.400 1.00 0.00 C ATOM 689 OD1 ASP A 45 -5.541 1.600 -11.289 1.00 0.00 O ATOM 690 OD2 ASP A 45 -4.875 3.303 -10.150 1.00 0.00 O ATOM 0 H ASP A 45 -4.193 -1.348 -9.387 1.00 0.00 H new ATOM 0 HA ASP A 45 -3.311 0.563 -11.481 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -4.624 0.631 -8.843 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -3.312 1.788 -8.947 1.00 0.00 H new ATOM 695 N PRO A 46 -1.000 1.193 -10.432 1.00 0.00 N ATOM 696 CA PRO A 46 0.449 1.274 -10.089 1.00 0.00 C ATOM 697 C PRO A 46 0.685 1.225 -8.573 1.00 0.00 C ATOM 698 O PRO A 46 0.973 2.223 -7.940 1.00 0.00 O ATOM 699 CB PRO A 46 0.905 2.619 -10.685 1.00 0.00 C ATOM 700 CG PRO A 46 -0.346 3.376 -10.994 1.00 0.00 C ATOM 701 CD PRO A 46 -1.431 2.335 -11.247 1.00 0.00 C ATOM 0 HA PRO A 46 1.010 0.428 -10.487 1.00 0.00 H new ATOM 0 HB2 PRO A 46 1.529 3.167 -9.979 1.00 0.00 H new ATOM 0 HB3 PRO A 46 1.501 2.465 -11.585 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -0.620 4.028 -10.164 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -0.208 4.013 -11.868 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -2.414 2.697 -10.945 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -1.499 2.073 -12.303 1.00 0.00 H new ATOM 709 N VAL A 47 0.559 0.065 -7.982 1.00 0.00 N ATOM 710 CA VAL A 47 0.775 -0.045 -6.506 1.00 0.00 C ATOM 711 C VAL A 47 2.067 0.679 -6.124 1.00 0.00 C ATOM 712 O VAL A 47 3.150 0.148 -6.264 1.00 0.00 O ATOM 713 CB VAL A 47 0.887 -1.514 -6.100 1.00 0.00 C ATOM 714 CG1 VAL A 47 0.969 -1.615 -4.581 1.00 0.00 C ATOM 715 CG2 VAL A 47 -0.339 -2.269 -6.601 1.00 0.00 C ATOM 0 H VAL A 47 0.317 -0.807 -8.453 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.071 0.408 -5.990 1.00 0.00 H new ATOM 0 HB VAL A 47 1.785 -1.950 -6.538 1.00 0.00 H new ATOM 0 HG11 VAL A 47 1.049 -2.662 -4.290 1.00 0.00 H new ATOM 0 HG12 VAL A 47 1.845 -1.072 -4.227 1.00 0.00 H new ATOM 0 HG13 VAL A 47 0.071 -1.183 -4.139 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -0.263 -3.318 -6.313 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -1.238 -1.836 -6.161 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -0.394 -2.194 -7.687 1.00 0.00 H new ATOM 725 N GLN A 48 1.964 1.884 -5.633 1.00 0.00 N ATOM 726 CA GLN A 48 3.188 2.628 -5.235 1.00 0.00 C ATOM 727 C GLN A 48 3.811 1.930 -4.033 1.00 0.00 C ATOM 728 O GLN A 48 4.929 1.455 -4.091 1.00 0.00 O ATOM 729 CB GLN A 48 2.827 4.070 -4.872 1.00 0.00 C ATOM 730 CG GLN A 48 4.003 4.730 -4.149 1.00 0.00 C ATOM 731 CD GLN A 48 4.067 6.212 -4.526 1.00 0.00 C ATOM 732 OE1 GLN A 48 3.659 7.063 -3.763 1.00 0.00 O ATOM 733 NE2 GLN A 48 4.566 6.556 -5.682 1.00 0.00 N ATOM 0 H GLN A 48 1.086 2.383 -5.491 1.00 0.00 H new ATOM 0 HA GLN A 48 3.897 2.646 -6.062 1.00 0.00 H new ATOM 0 HB2 GLN A 48 2.581 4.631 -5.773 1.00 0.00 H new ATOM 0 HB3 GLN A 48 1.942 4.084 -4.236 1.00 0.00 H new ATOM 0 HG2 GLN A 48 3.887 4.623 -3.070 1.00 0.00 H new ATOM 0 HG3 GLN A 48 4.935 4.234 -4.420 1.00 0.00 H new ATOM 0 HE21 GLN A 48 4.909 5.840 -6.323 1.00 0.00 H new ATOM 0 HE22 GLN A 48 4.613 7.541 -5.944 1.00 0.00 H new ATOM 742 N ARG A 49 3.096 1.848 -2.946 1.00 0.00 N ATOM 743 CA ARG A 49 3.661 1.161 -1.754 1.00 0.00 C ATOM 744 C ARG A 49 2.535 0.530 -0.930 1.00 0.00 C ATOM 745 O ARG A 49 1.516 1.128 -0.683 1.00 0.00 O ATOM 746 CB ARG A 49 4.466 2.170 -0.916 1.00 0.00 C ATOM 747 CG ARG A 49 4.007 2.177 0.550 1.00 0.00 C ATOM 748 CD ARG A 49 4.895 3.131 1.349 1.00 0.00 C ATOM 749 NE ARG A 49 6.231 2.505 1.561 1.00 0.00 N ATOM 750 CZ ARG A 49 7.206 3.203 2.074 1.00 0.00 C ATOM 751 NH1 ARG A 49 7.012 4.452 2.401 1.00 0.00 N ATOM 752 NH2 ARG A 49 8.375 2.654 2.261 1.00 0.00 N ATOM 0 H ARG A 49 2.154 2.223 -2.832 1.00 0.00 H new ATOM 0 HA ARG A 49 4.331 0.362 -2.072 1.00 0.00 H new ATOM 0 HB2 ARG A 49 5.526 1.922 -0.965 1.00 0.00 H new ATOM 0 HB3 ARG A 49 4.352 3.168 -1.339 1.00 0.00 H new ATOM 0 HG2 ARG A 49 2.965 2.490 0.616 1.00 0.00 H new ATOM 0 HG3 ARG A 49 4.065 1.172 0.967 1.00 0.00 H new ATOM 0 HD2 ARG A 49 5.004 4.076 0.816 1.00 0.00 H new ATOM 0 HD3 ARG A 49 4.431 3.358 2.309 1.00 0.00 H new ATOM 0 HE ARG A 49 6.383 1.530 1.305 1.00 0.00 H new ATOM 0 HH11 ARG A 49 6.098 4.881 2.255 1.00 0.00 H new ATOM 0 HH12 ARG A 49 7.774 4.998 2.802 1.00 0.00 H new ATOM 0 HH21 ARG A 49 8.527 1.678 2.006 1.00 0.00 H new ATOM 0 HH22 ARG A 49 9.137 3.201 2.662 1.00 0.00 H new ATOM 766 N ILE A 50 2.720 -0.681 -0.499 1.00 0.00 N ATOM 767 CA ILE A 50 1.671 -1.351 0.309 1.00 0.00 C ATOM 768 C ILE A 50 1.950 -1.148 1.784 1.00 0.00 C ATOM 769 O ILE A 50 3.083 -1.080 2.218 1.00 0.00 O ATOM 770 CB ILE A 50 1.667 -2.840 0.017 1.00 0.00 C ATOM 771 CG1 ILE A 50 1.824 -3.037 -1.484 1.00 0.00 C ATOM 772 CG2 ILE A 50 0.356 -3.462 0.501 1.00 0.00 C ATOM 773 CD1 ILE A 50 1.474 -4.475 -1.866 1.00 0.00 C ATOM 0 H ILE A 50 3.556 -1.239 -0.672 1.00 0.00 H new ATOM 0 HA ILE A 50 0.704 -0.920 0.051 1.00 0.00 H new ATOM 0 HB ILE A 50 2.490 -3.328 0.540 1.00 0.00 H new ATOM 0 HG12 ILE A 50 1.176 -2.343 -2.019 1.00 0.00 H new ATOM 0 HG13 ILE A 50 2.848 -2.812 -1.783 1.00 0.00 H new ATOM 0 HG21 ILE A 50 0.360 -4.531 0.288 1.00 0.00 H new ATOM 0 HG22 ILE A 50 0.254 -3.306 1.575 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -0.482 -2.993 -0.015 1.00 0.00 H new ATOM 0 HD11 ILE A 50 1.590 -4.604 -2.942 1.00 0.00 H new ATOM 0 HD12 ILE A 50 2.140 -5.162 -1.344 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.442 -4.685 -1.584 1.00 0.00 H new ATOM 785 N GLU A 51 0.915 -1.050 2.548 1.00 0.00 N ATOM 786 CA GLU A 51 1.077 -0.850 4.012 1.00 0.00 C ATOM 787 C GLU A 51 0.026 -1.656 4.766 1.00 0.00 C ATOM 788 O GLU A 51 -1.109 -1.761 4.352 1.00 0.00 O ATOM 789 CB GLU A 51 0.932 0.632 4.335 1.00 0.00 C ATOM 790 CG GLU A 51 1.962 1.404 3.519 1.00 0.00 C ATOM 791 CD GLU A 51 1.990 2.866 3.970 1.00 0.00 C ATOM 792 OE1 GLU A 51 0.931 3.470 4.022 1.00 0.00 O ATOM 793 OE2 GLU A 51 3.069 3.356 4.257 1.00 0.00 O ATOM 0 H GLU A 51 -0.051 -1.100 2.224 1.00 0.00 H new ATOM 0 HA GLU A 51 2.065 -1.192 4.320 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -0.075 0.975 4.098 1.00 0.00 H new ATOM 0 HB3 GLU A 51 1.085 0.805 5.400 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.948 0.956 3.644 1.00 0.00 H new ATOM 0 HG3 GLU A 51 1.717 1.346 2.458 1.00 0.00 H new ATOM 800 N GLN A 52 0.405 -2.228 5.871 1.00 0.00 N ATOM 801 CA GLN A 52 -0.556 -3.041 6.667 1.00 0.00 C ATOM 802 C GLN A 52 -1.162 -2.184 7.779 1.00 0.00 C ATOM 803 O GLN A 52 -0.498 -1.356 8.369 1.00 0.00 O ATOM 804 CB GLN A 52 0.176 -4.235 7.285 1.00 0.00 C ATOM 805 CG GLN A 52 0.930 -3.780 8.536 1.00 0.00 C ATOM 806 CD GLN A 52 2.040 -4.783 8.857 1.00 0.00 C ATOM 807 OE1 GLN A 52 3.127 -4.694 8.322 1.00 0.00 O ATOM 808 NE2 GLN A 52 1.810 -5.739 9.714 1.00 0.00 N ATOM 0 H GLN A 52 1.345 -2.168 6.261 1.00 0.00 H new ATOM 0 HA GLN A 52 -1.352 -3.398 6.014 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -0.537 -5.019 7.542 1.00 0.00 H new ATOM 0 HB3 GLN A 52 0.872 -4.662 6.563 1.00 0.00 H new ATOM 0 HG2 GLN A 52 1.356 -2.789 8.377 1.00 0.00 H new ATOM 0 HG3 GLN A 52 0.243 -3.700 9.378 1.00 0.00 H new ATOM 0 HE21 GLN A 52 0.897 -5.813 10.163 1.00 0.00 H new ATOM 0 HE22 GLN A 52 2.543 -6.413 9.935 1.00 0.00 H new ATOM 817 N CYS A 53 -2.422 -2.377 8.070 1.00 0.00 N ATOM 818 CA CYS A 53 -3.069 -1.574 9.142 1.00 0.00 C ATOM 819 C CYS A 53 -4.123 -2.421 9.862 1.00 0.00 C ATOM 820 O CYS A 53 -4.469 -3.501 9.427 1.00 0.00 O ATOM 821 CB CYS A 53 -3.744 -0.350 8.521 1.00 0.00 C ATOM 822 SG CYS A 53 -2.971 1.157 9.161 1.00 0.00 S ATOM 0 H CYS A 53 -3.028 -3.056 7.610 1.00 0.00 H new ATOM 0 HA CYS A 53 -2.312 -1.255 9.858 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -3.655 -0.384 7.435 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -4.809 -0.352 8.753 1.00 0.00 H new ATOM 0 HG CYS A 53 -3.544 2.197 8.631 1.00 0.00 H new ATOM 827 N THR A 54 -4.630 -1.940 10.963 1.00 0.00 N ATOM 828 CA THR A 54 -5.656 -2.713 11.714 1.00 0.00 C ATOM 829 C THR A 54 -7.048 -2.389 11.163 1.00 0.00 C ATOM 830 O THR A 54 -7.241 -1.403 10.479 1.00 0.00 O ATOM 831 CB THR A 54 -5.594 -2.332 13.196 1.00 0.00 C ATOM 832 OG1 THR A 54 -4.693 -1.248 13.367 1.00 0.00 O ATOM 833 CG2 THR A 54 -5.113 -3.532 14.013 1.00 0.00 C ATOM 0 H THR A 54 -4.377 -1.042 11.375 1.00 0.00 H new ATOM 0 HA THR A 54 -5.461 -3.780 11.602 1.00 0.00 H new ATOM 0 HB THR A 54 -6.586 -2.037 13.538 1.00 0.00 H new ATOM 0 HG1 THR A 54 -4.654 -1.002 14.315 1.00 0.00 H new ATOM 0 HG21 THR A 54 -5.069 -3.260 15.068 1.00 0.00 H new ATOM 0 HG22 THR A 54 -5.806 -4.363 13.881 1.00 0.00 H new ATOM 0 HG23 THR A 54 -4.121 -3.829 13.673 1.00 0.00 H new ATOM 841 N ARG A 55 -8.016 -3.220 11.445 1.00 0.00 N ATOM 842 CA ARG A 55 -9.394 -2.967 10.929 1.00 0.00 C ATOM 843 C ARG A 55 -10.005 -1.760 11.639 1.00 0.00 C ATOM 844 O ARG A 55 -11.183 -1.726 11.933 1.00 0.00 O ATOM 845 CB ARG A 55 -10.263 -4.205 11.172 1.00 0.00 C ATOM 846 CG ARG A 55 -11.591 -4.064 10.423 1.00 0.00 C ATOM 847 CD ARG A 55 -12.750 -4.400 11.365 1.00 0.00 C ATOM 848 NE ARG A 55 -12.716 -3.488 12.543 1.00 0.00 N ATOM 849 CZ ARG A 55 -13.797 -3.294 13.249 1.00 0.00 C ATOM 850 NH1 ARG A 55 -14.906 -3.904 12.928 1.00 0.00 N ATOM 851 NH2 ARG A 55 -13.769 -2.493 14.280 1.00 0.00 N ATOM 0 H ARG A 55 -7.913 -4.063 12.010 1.00 0.00 H new ATOM 0 HA ARG A 55 -9.345 -2.760 9.860 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -9.739 -5.100 10.836 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -10.448 -4.326 12.239 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -11.700 -3.048 10.044 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -11.606 -4.730 9.560 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -13.700 -4.298 10.840 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -12.677 -5.437 11.693 1.00 0.00 H new ATOM 0 HE ARG A 55 -11.849 -3.016 12.798 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -14.928 -4.533 12.125 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -15.750 -3.752 13.480 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -12.902 -2.019 14.534 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -14.614 -2.342 14.831 1.00 0.00 H new ATOM 865 N GLY A 56 -9.214 -0.765 11.898 1.00 0.00 N ATOM 866 CA GLY A 56 -9.735 0.453 12.569 1.00 0.00 C ATOM 867 C GLY A 56 -8.859 1.630 12.159 1.00 0.00 C ATOM 868 O GLY A 56 -8.849 2.664 12.799 1.00 0.00 O ATOM 0 H GLY A 56 -8.220 -0.741 11.672 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -10.771 0.632 12.282 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -9.721 0.327 13.652 1.00 0.00 H new ATOM 872 N SER A 57 -8.108 1.470 11.096 1.00 0.00 N ATOM 873 CA SER A 57 -7.210 2.566 10.640 1.00 0.00 C ATOM 874 C SER A 57 -7.820 3.283 9.435 1.00 0.00 C ATOM 875 O SER A 57 -7.552 4.445 9.203 1.00 0.00 O ATOM 876 CB SER A 57 -5.858 1.974 10.242 1.00 0.00 C ATOM 877 OG SER A 57 -5.590 0.832 11.045 1.00 0.00 O ATOM 0 H SER A 57 -8.081 0.624 10.526 1.00 0.00 H new ATOM 0 HA SER A 57 -7.081 3.282 11.452 1.00 0.00 H new ATOM 0 HB2 SER A 57 -5.865 1.698 9.188 1.00 0.00 H new ATOM 0 HB3 SER A 57 -5.071 2.717 10.371 1.00 0.00 H new ATOM 0 HG SER A 57 -6.118 0.073 10.721 1.00 0.00 H new ATOM 883 N LEU A 58 -8.629 2.599 8.665 1.00 0.00 N ATOM 884 CA LEU A 58 -9.251 3.237 7.465 1.00 0.00 C ATOM 885 C LEU A 58 -10.760 3.365 7.664 1.00 0.00 C ATOM 886 O LEU A 58 -11.315 2.850 8.616 1.00 0.00 O ATOM 887 CB LEU A 58 -8.988 2.378 6.224 1.00 0.00 C ATOM 888 CG LEU A 58 -7.573 1.795 6.273 1.00 0.00 C ATOM 889 CD1 LEU A 58 -7.326 0.977 5.004 1.00 0.00 C ATOM 890 CD2 LEU A 58 -6.549 2.929 6.344 1.00 0.00 C ATOM 0 H LEU A 58 -8.886 1.624 8.817 1.00 0.00 H new ATOM 0 HA LEU A 58 -8.813 4.226 7.330 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -9.719 1.572 6.170 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -9.110 2.980 5.324 1.00 0.00 H new ATOM 0 HG LEU A 58 -7.472 1.160 7.153 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -6.320 0.558 5.031 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -8.054 0.168 4.945 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -7.427 1.621 4.130 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -5.544 2.510 6.379 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -6.647 3.564 5.463 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -6.726 3.523 7.241 1.00 0.00 H new ATOM 902 N PHE A 59 -11.424 4.046 6.762 1.00 0.00 N ATOM 903 CA PHE A 59 -12.902 4.215 6.872 1.00 0.00 C ATOM 904 C PHE A 59 -13.551 3.829 5.539 1.00 0.00 C ATOM 905 O PHE A 59 -13.260 4.399 4.508 1.00 0.00 O ATOM 906 CB PHE A 59 -13.223 5.673 7.208 1.00 0.00 C ATOM 907 CG PHE A 59 -12.456 6.084 8.442 1.00 0.00 C ATOM 908 CD1 PHE A 59 -11.077 6.318 8.364 1.00 0.00 C ATOM 909 CD2 PHE A 59 -13.123 6.234 9.664 1.00 0.00 C ATOM 910 CE1 PHE A 59 -10.366 6.700 9.507 1.00 0.00 C ATOM 911 CE2 PHE A 59 -12.412 6.616 10.807 1.00 0.00 C ATOM 912 CZ PHE A 59 -11.033 6.849 10.728 1.00 0.00 C ATOM 0 H PHE A 59 -11.000 4.494 5.950 1.00 0.00 H new ATOM 0 HA PHE A 59 -13.292 3.574 7.662 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -12.958 6.318 6.370 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -14.293 5.792 7.375 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -10.562 6.204 7.421 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -14.186 6.055 9.724 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -9.303 6.880 9.447 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -12.926 6.731 11.750 1.00 0.00 H new ATOM 0 HZ PHE A 59 -10.484 7.144 11.610 1.00 0.00 H new ATOM 922 N MET A 60 -14.421 2.852 5.552 1.00 0.00 N ATOM 923 CA MET A 60 -15.079 2.409 4.286 1.00 0.00 C ATOM 924 C MET A 60 -16.257 3.325 3.941 1.00 0.00 C ATOM 925 O MET A 60 -16.962 3.802 4.806 1.00 0.00 O ATOM 926 CB MET A 60 -15.587 0.976 4.457 1.00 0.00 C ATOM 927 CG MET A 60 -14.456 0.092 4.985 1.00 0.00 C ATOM 928 SD MET A 60 -14.745 -0.276 6.733 1.00 0.00 S ATOM 929 CE MET A 60 -13.431 -1.505 6.924 1.00 0.00 C ATOM 0 H MET A 60 -14.705 2.340 6.387 1.00 0.00 H new ATOM 0 HA MET A 60 -14.350 2.455 3.477 1.00 0.00 H new ATOM 0 HB2 MET A 60 -16.430 0.958 5.148 1.00 0.00 H new ATOM 0 HB3 MET A 60 -15.949 0.591 3.503 1.00 0.00 H new ATOM 0 HG2 MET A 60 -14.405 -0.833 4.411 1.00 0.00 H new ATOM 0 HG3 MET A 60 -13.498 0.597 4.862 1.00 0.00 H new ATOM 0 HE1 MET A 60 -13.867 -2.504 6.944 1.00 0.00 H new ATOM 0 HE2 MET A 60 -12.737 -1.428 6.087 1.00 0.00 H new ATOM 0 HE3 MET A 60 -12.896 -1.324 7.857 1.00 0.00 H new ATOM 939 N CYS A 61 -16.475 3.562 2.673 1.00 0.00 N ATOM 940 CA CYS A 61 -17.608 4.437 2.252 1.00 0.00 C ATOM 941 C CYS A 61 -18.931 3.701 2.476 1.00 0.00 C ATOM 942 O CYS A 61 -19.029 2.507 2.275 1.00 0.00 O ATOM 943 CB CYS A 61 -17.468 4.779 0.765 1.00 0.00 C ATOM 944 SG CYS A 61 -18.834 5.851 0.261 1.00 0.00 S ATOM 0 H CYS A 61 -15.914 3.185 1.909 1.00 0.00 H new ATOM 0 HA CYS A 61 -17.593 5.354 2.841 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -16.515 5.277 0.584 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -17.469 3.866 0.169 1.00 0.00 H new ATOM 0 HG CYS A 61 -18.541 6.425 -0.868 1.00 0.00 H new ATOM 1051 N ARG A 69 -14.276 2.838 -1.670 1.00 0.00 N ATOM 1052 CA ARG A 69 -12.955 3.508 -1.508 1.00 0.00 C ATOM 1053 C ARG A 69 -12.719 3.828 -0.030 1.00 0.00 C ATOM 1054 O ARG A 69 -13.537 4.452 0.617 1.00 0.00 O ATOM 1055 CB ARG A 69 -12.941 4.807 -2.318 1.00 0.00 C ATOM 1056 CG ARG A 69 -12.693 4.487 -3.794 1.00 0.00 C ATOM 1057 CD ARG A 69 -12.793 5.773 -4.617 1.00 0.00 C ATOM 1058 NE ARG A 69 -11.870 5.687 -5.784 1.00 0.00 N ATOM 1059 CZ ARG A 69 -12.212 4.996 -6.836 1.00 0.00 C ATOM 1060 NH1 ARG A 69 -13.362 4.378 -6.866 1.00 0.00 N ATOM 1061 NH2 ARG A 69 -11.406 4.922 -7.860 1.00 0.00 N ATOM 0 HA ARG A 69 -12.167 2.845 -1.865 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -13.891 5.330 -2.203 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -12.163 5.473 -1.944 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -11.708 4.038 -3.919 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -13.423 3.759 -4.147 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -13.817 5.920 -4.960 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -12.537 6.634 -3.999 1.00 0.00 H new ATOM 0 HE ARG A 69 -10.971 6.168 -5.760 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -13.993 4.436 -6.067 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -13.629 3.838 -7.689 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -10.508 5.405 -7.838 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -11.674 4.381 -8.682 1.00 0.00 H new ATOM 1075 N THR A 70 -11.605 3.411 0.510 1.00 0.00 N ATOM 1076 CA THR A 70 -11.323 3.700 1.946 1.00 0.00 C ATOM 1077 C THR A 70 -10.541 5.008 2.059 1.00 0.00 C ATOM 1078 O THR A 70 -10.218 5.639 1.071 1.00 0.00 O ATOM 1079 CB THR A 70 -10.484 2.568 2.549 1.00 0.00 C ATOM 1080 OG1 THR A 70 -10.065 1.687 1.516 1.00 0.00 O ATOM 1081 CG2 THR A 70 -11.317 1.798 3.574 1.00 0.00 C ATOM 0 H THR A 70 -10.881 2.885 0.021 1.00 0.00 H new ATOM 0 HA THR A 70 -12.268 3.783 2.484 1.00 0.00 H new ATOM 0 HB THR A 70 -9.609 2.991 3.043 1.00 0.00 H new ATOM 0 HG1 THR A 70 -9.374 2.123 0.975 1.00 0.00 H new ATOM 0 HG21 THR A 70 -10.717 0.994 4.000 1.00 0.00 H new ATOM 0 HG22 THR A 70 -11.634 2.475 4.368 1.00 0.00 H new ATOM 0 HG23 THR A 70 -12.195 1.376 3.086 1.00 0.00 H new ATOM 1089 N TYR A 71 -10.225 5.413 3.256 1.00 0.00 N ATOM 1090 CA TYR A 71 -9.454 6.670 3.441 1.00 0.00 C ATOM 1091 C TYR A 71 -8.769 6.639 4.806 1.00 0.00 C ATOM 1092 O TYR A 71 -8.731 5.618 5.459 1.00 0.00 O ATOM 1093 CB TYR A 71 -10.395 7.872 3.362 1.00 0.00 C ATOM 1094 CG TYR A 71 -10.765 8.120 1.919 1.00 0.00 C ATOM 1095 CD1 TYR A 71 -9.922 8.886 1.104 1.00 0.00 C ATOM 1096 CD2 TYR A 71 -11.947 7.584 1.395 1.00 0.00 C ATOM 1097 CE1 TYR A 71 -10.261 9.115 -0.235 1.00 0.00 C ATOM 1098 CE2 TYR A 71 -12.286 7.812 0.056 1.00 0.00 C ATOM 1099 CZ TYR A 71 -11.443 8.578 -0.758 1.00 0.00 C ATOM 1100 OH TYR A 71 -11.777 8.803 -2.078 1.00 0.00 O ATOM 0 H TYR A 71 -10.469 4.924 4.117 1.00 0.00 H new ATOM 0 HA TYR A 71 -8.703 6.757 2.656 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -11.292 7.686 3.953 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -9.913 8.754 3.783 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -9.010 9.300 1.509 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -12.598 6.994 2.024 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -9.611 9.705 -0.864 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -13.197 7.397 -0.349 1.00 0.00 H new ATOM 0 HH TYR A 71 -12.483 8.179 -2.348 1.00 0.00 H new ATOM 1110 N LEU A 72 -8.215 7.744 5.228 1.00 0.00 N ATOM 1111 CA LEU A 72 -7.508 7.788 6.542 1.00 0.00 C ATOM 1112 C LEU A 72 -8.284 8.664 7.531 1.00 0.00 C ATOM 1113 O LEU A 72 -7.981 8.695 8.708 1.00 0.00 O ATOM 1114 CB LEU A 72 -6.102 8.375 6.356 1.00 0.00 C ATOM 1115 CG LEU A 72 -5.754 8.460 4.866 1.00 0.00 C ATOM 1116 CD1 LEU A 72 -4.355 9.056 4.705 1.00 0.00 C ATOM 1117 CD2 LEU A 72 -5.776 7.057 4.251 1.00 0.00 C ATOM 0 H LEU A 72 -8.222 8.625 4.715 1.00 0.00 H new ATOM 0 HA LEU A 72 -7.438 6.773 6.933 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -6.052 9.367 6.805 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -5.370 7.754 6.873 1.00 0.00 H new ATOM 0 HG LEU A 72 -6.485 9.091 4.361 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -4.105 9.117 3.646 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -4.332 10.054 5.142 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -3.629 8.422 5.213 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -5.528 7.120 3.191 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -5.045 6.426 4.757 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -6.770 6.625 4.366 1.00 0.00 H new ATOM 1129 N SER A 73 -9.279 9.374 7.075 1.00 0.00 N ATOM 1130 CA SER A 73 -10.055 10.234 8.009 1.00 0.00 C ATOM 1131 C SER A 73 -11.476 10.417 7.484 1.00 0.00 C ATOM 1132 O SER A 73 -11.684 10.692 6.319 1.00 0.00 O ATOM 1133 CB SER A 73 -9.375 11.599 8.126 1.00 0.00 C ATOM 1134 OG SER A 73 -10.319 12.555 8.587 1.00 0.00 O ATOM 0 H SER A 73 -9.586 9.396 6.103 1.00 0.00 H new ATOM 0 HA SER A 73 -10.093 9.758 8.989 1.00 0.00 H new ATOM 0 HB2 SER A 73 -8.533 11.541 8.815 1.00 0.00 H new ATOM 0 HB3 SER A 73 -8.975 11.903 7.159 1.00 0.00 H new ATOM 0 HG SER A 73 -9.856 13.388 8.817 1.00 0.00 H new ATOM 1140 N GLN A 74 -12.456 10.268 8.338 1.00 0.00 N ATOM 1141 CA GLN A 74 -13.868 10.439 7.898 1.00 0.00 C ATOM 1142 C GLN A 74 -13.968 11.691 7.033 1.00 0.00 C ATOM 1143 O GLN A 74 -14.788 11.786 6.146 1.00 0.00 O ATOM 1144 CB GLN A 74 -14.764 10.594 9.124 1.00 0.00 C ATOM 1145 CG GLN A 74 -14.676 9.323 9.964 1.00 0.00 C ATOM 1146 CD GLN A 74 -15.678 8.295 9.441 1.00 0.00 C ATOM 1147 OE1 GLN A 74 -15.434 7.683 8.316 1.00 0.00 O flip ATOM 1148 NE2 GLN A 74 -16.693 8.047 10.061 1.00 0.00 N flip ATOM 0 H GLN A 74 -12.336 10.035 9.324 1.00 0.00 H new ATOM 0 HA GLN A 74 -14.187 9.568 7.325 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -14.452 11.457 9.712 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -15.795 10.773 8.818 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -13.666 8.916 9.922 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -14.884 9.550 11.009 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -16.883 8.526 10.941 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -17.355 7.359 9.701 1.00 0.00 H new ATOM 1157 N ARG A 75 -13.131 12.649 7.296 1.00 0.00 N ATOM 1158 CA ARG A 75 -13.149 13.912 6.513 1.00 0.00 C ATOM 1159 C ARG A 75 -12.791 13.622 5.054 1.00 0.00 C ATOM 1160 O ARG A 75 -13.295 14.233 4.134 1.00 0.00 O ATOM 1161 CB ARG A 75 -12.102 14.855 7.121 1.00 0.00 C ATOM 1162 CG ARG A 75 -11.912 16.095 6.241 1.00 0.00 C ATOM 1163 CD ARG A 75 -13.269 16.730 5.972 1.00 0.00 C ATOM 1164 NE ARG A 75 -13.093 18.175 5.656 1.00 0.00 N ATOM 1165 CZ ARG A 75 -14.090 19.003 5.808 1.00 0.00 C ATOM 1166 NH1 ARG A 75 -15.243 18.565 6.236 1.00 0.00 N ATOM 1167 NH2 ARG A 75 -13.936 20.269 5.532 1.00 0.00 N ATOM 0 H ARG A 75 -12.424 12.611 8.031 1.00 0.00 H new ATOM 0 HA ARG A 75 -14.140 14.365 6.546 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -12.415 15.157 8.121 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -11.152 14.331 7.229 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -11.254 16.810 6.736 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -11.433 15.819 5.301 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -13.760 16.223 5.141 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -13.915 16.614 6.843 1.00 0.00 H new ATOM 0 HE ARG A 75 -12.193 18.517 5.321 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -15.365 17.575 6.452 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -16.022 19.212 6.355 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -13.036 20.612 5.197 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -14.716 20.915 5.651 1.00 0.00 H new ATOM 1181 N ASP A 76 -11.926 12.689 4.841 1.00 0.00 N ATOM 1182 CA ASP A 76 -11.520 12.353 3.452 1.00 0.00 C ATOM 1183 C ASP A 76 -12.546 11.399 2.866 1.00 0.00 C ATOM 1184 O ASP A 76 -12.864 11.443 1.690 1.00 0.00 O ATOM 1185 CB ASP A 76 -10.142 11.689 3.466 1.00 0.00 C ATOM 1186 CG ASP A 76 -9.059 12.762 3.578 1.00 0.00 C ATOM 1187 OD1 ASP A 76 -9.323 13.781 4.193 1.00 0.00 O ATOM 1188 OD2 ASP A 76 -7.983 12.546 3.045 1.00 0.00 O ATOM 0 H ASP A 76 -11.475 12.136 5.570 1.00 0.00 H new ATOM 0 HA ASP A 76 -11.468 13.258 2.847 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -10.069 10.995 4.304 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -9.998 11.106 2.556 1.00 0.00 H new ATOM 1193 N LEU A 77 -13.096 10.554 3.682 1.00 0.00 N ATOM 1194 CA LEU A 77 -14.119 9.625 3.175 1.00 0.00 C ATOM 1195 C LEU A 77 -15.383 10.431 2.976 1.00 0.00 C ATOM 1196 O LEU A 77 -16.139 10.205 2.060 1.00 0.00 O ATOM 1197 CB LEU A 77 -14.333 8.502 4.190 1.00 0.00 C ATOM 1198 CG LEU A 77 -15.743 7.900 4.047 1.00 0.00 C ATOM 1199 CD1 LEU A 77 -15.703 6.430 4.458 1.00 0.00 C ATOM 1200 CD2 LEU A 77 -16.742 8.641 4.951 1.00 0.00 C ATOM 0 H LEU A 77 -12.879 10.470 4.675 1.00 0.00 H new ATOM 0 HA LEU A 77 -13.818 9.164 2.234 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -13.584 7.724 4.043 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -14.198 8.888 5.200 1.00 0.00 H new ATOM 0 HG LEU A 77 -16.062 7.998 3.009 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -16.699 5.997 4.359 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -15.008 5.891 3.815 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -15.374 6.351 5.494 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -17.733 8.201 4.836 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -16.425 8.555 5.990 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -16.777 9.693 4.668 1.00 0.00 H new ATOM 1212 N GLN A 78 -15.598 11.398 3.820 1.00 0.00 N ATOM 1213 CA GLN A 78 -16.802 12.243 3.667 1.00 0.00 C ATOM 1214 C GLN A 78 -16.587 13.085 2.429 1.00 0.00 C ATOM 1215 O GLN A 78 -17.506 13.403 1.687 1.00 0.00 O ATOM 1216 CB GLN A 78 -16.984 13.140 4.896 1.00 0.00 C ATOM 1217 CG GLN A 78 -18.319 13.882 4.802 1.00 0.00 C ATOM 1218 CD GLN A 78 -19.462 12.920 5.133 1.00 0.00 C ATOM 1219 OE1 GLN A 78 -19.933 12.140 4.200 1.00 0.00 O flip ATOM 1220 NE2 GLN A 78 -19.932 12.880 6.253 1.00 0.00 N flip ATOM 0 H GLN A 78 -14.992 11.636 4.605 1.00 0.00 H new ATOM 0 HA GLN A 78 -17.699 11.631 3.574 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -16.955 12.538 5.804 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -16.164 13.855 4.961 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -18.328 14.725 5.492 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -18.451 14.289 3.800 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -19.564 13.490 6.983 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -20.695 12.236 6.463 1.00 0.00 H new ATOM 1229 N ALA A 79 -15.357 13.411 2.182 1.00 0.00 N ATOM 1230 CA ALA A 79 -15.040 14.196 0.979 1.00 0.00 C ATOM 1231 C ALA A 79 -15.208 13.282 -0.222 1.00 0.00 C ATOM 1232 O ALA A 79 -15.397 13.732 -1.334 1.00 0.00 O ATOM 1233 CB ALA A 79 -13.598 14.697 1.057 1.00 0.00 C ATOM 0 H ALA A 79 -14.558 13.165 2.766 1.00 0.00 H new ATOM 0 HA ALA A 79 -15.700 15.060 0.896 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -13.366 15.278 0.165 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -13.478 15.325 1.940 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -12.920 13.846 1.122 1.00 0.00 H new ATOM 1239 N HIS A 80 -15.162 11.992 -0.010 1.00 0.00 N ATOM 1240 CA HIS A 80 -15.329 11.075 -1.167 1.00 0.00 C ATOM 1241 C HIS A 80 -16.806 11.019 -1.548 1.00 0.00 C ATOM 1242 O HIS A 80 -17.165 10.984 -2.709 1.00 0.00 O ATOM 1243 CB HIS A 80 -14.832 9.676 -0.809 1.00 0.00 C ATOM 1244 CG HIS A 80 -15.739 8.649 -1.418 1.00 0.00 C ATOM 1245 ND1 HIS A 80 -15.857 8.487 -2.788 1.00 0.00 N ATOM 1246 CD2 HIS A 80 -16.580 7.726 -0.856 1.00 0.00 C ATOM 1247 CE1 HIS A 80 -16.742 7.497 -3.002 1.00 0.00 C ATOM 1248 NE2 HIS A 80 -17.214 6.999 -1.857 1.00 0.00 N ATOM 0 H HIS A 80 -15.019 11.545 0.895 1.00 0.00 H new ATOM 0 HA HIS A 80 -14.745 11.445 -2.009 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -13.813 9.537 -1.172 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -14.804 9.555 0.274 1.00 0.00 H new ATOM 0 HD1 HIS A 80 -15.363 9.021 -3.504 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -16.728 7.584 0.204 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -17.035 7.148 -3.981 1.00 0.00 H new ATOM 1256 N ILE A 81 -17.667 11.019 -0.574 1.00 0.00 N ATOM 1257 CA ILE A 81 -19.124 10.970 -0.873 1.00 0.00 C ATOM 1258 C ILE A 81 -19.520 12.205 -1.662 1.00 0.00 C ATOM 1259 O ILE A 81 -20.108 12.114 -2.714 1.00 0.00 O ATOM 1260 CB ILE A 81 -19.968 10.955 0.413 1.00 0.00 C ATOM 1261 CG1 ILE A 81 -19.296 10.131 1.508 1.00 0.00 C ATOM 1262 CG2 ILE A 81 -21.355 10.376 0.121 1.00 0.00 C ATOM 1263 CD1 ILE A 81 -19.257 8.648 1.128 1.00 0.00 C ATOM 0 H ILE A 81 -17.427 11.051 0.417 1.00 0.00 H new ATOM 0 HA ILE A 81 -19.309 10.056 -1.438 1.00 0.00 H new ATOM 0 HB ILE A 81 -20.062 11.983 0.763 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -18.282 10.495 1.673 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -19.836 10.256 2.446 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -21.946 10.369 1.037 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -21.855 10.989 -0.629 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -21.253 9.357 -0.253 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -18.774 8.081 1.924 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -20.274 8.282 0.988 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -18.696 8.524 0.202 1.00 0.00 H new ATOM 1275 N ASN A 82 -19.217 13.365 -1.163 1.00 0.00 N ATOM 1276 CA ASN A 82 -19.620 14.586 -1.904 1.00 0.00 C ATOM 1277 C ASN A 82 -18.809 14.699 -3.180 1.00 0.00 C ATOM 1278 O ASN A 82 -19.189 15.395 -4.101 1.00 0.00 O ATOM 1279 CB ASN A 82 -19.401 15.829 -1.044 1.00 0.00 C ATOM 1280 CG ASN A 82 -18.082 15.714 -0.289 1.00 0.00 C ATOM 1281 OD1 ASN A 82 -17.033 15.627 -0.893 1.00 0.00 O ATOM 1282 ND2 ASN A 82 -18.095 15.719 1.017 1.00 0.00 N ATOM 0 H ASN A 82 -18.716 13.521 -0.288 1.00 0.00 H new ATOM 0 HA ASN A 82 -20.679 14.513 -2.150 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -19.393 16.720 -1.672 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -20.224 15.943 -0.339 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -17.220 15.650 1.536 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -18.980 15.792 1.518 1.00 0.00 H new ATOM 1289 N HIS A 83 -17.690 14.037 -3.251 1.00 0.00 N ATOM 1290 CA HIS A 83 -16.879 14.146 -4.488 1.00 0.00 C ATOM 1291 C HIS A 83 -17.319 13.120 -5.542 1.00 0.00 C ATOM 1292 O HIS A 83 -16.897 13.203 -6.678 1.00 0.00 O ATOM 1293 CB HIS A 83 -15.399 13.932 -4.176 1.00 0.00 C ATOM 1294 CG HIS A 83 -14.854 15.138 -3.460 1.00 0.00 C ATOM 1295 ND1 HIS A 83 -15.463 16.267 -2.969 1.00 0.00 N flip ATOM 1296 CD2 HIS A 83 -13.504 15.278 -3.171 1.00 0.00 C flip ATOM 1297 CE1 HIS A 83 -14.509 17.092 -2.386 1.00 0.00 C flip ATOM 1298 NE2 HIS A 83 -13.345 16.454 -2.534 1.00 0.00 N flip ATOM 0 H HIS A 83 -17.309 13.436 -2.520 1.00 0.00 H new ATOM 0 HA HIS A 83 -17.033 15.148 -4.888 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -15.272 13.042 -3.559 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -14.843 13.762 -5.098 1.00 0.00 H new ATOM 0 HD1 HIS A 83 -16.461 16.469 -3.024 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -12.723 14.572 -3.413 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -14.674 18.049 -1.912 1.00 0.00 H new ATOM 1307 N ARG A 84 -18.115 12.131 -5.181 1.00 0.00 N ATOM 1308 CA ARG A 84 -18.503 11.090 -6.189 1.00 0.00 C ATOM 1309 C ARG A 84 -20.017 10.966 -6.386 1.00 0.00 C ATOM 1310 O ARG A 84 -20.478 10.787 -7.496 1.00 0.00 O ATOM 1311 CB ARG A 84 -17.943 9.744 -5.738 1.00 0.00 C ATOM 1312 CG ARG A 84 -16.431 9.874 -5.530 1.00 0.00 C ATOM 1313 CD ARG A 84 -15.741 10.187 -6.862 1.00 0.00 C ATOM 1314 NE ARG A 84 -14.416 9.507 -6.905 1.00 0.00 N ATOM 1315 CZ ARG A 84 -13.787 9.376 -8.041 1.00 0.00 C ATOM 1316 NH1 ARG A 84 -14.317 9.840 -9.138 1.00 0.00 N ATOM 1317 NH2 ARG A 84 -12.627 8.778 -8.077 1.00 0.00 N ATOM 0 H ARG A 84 -18.505 12.004 -4.247 1.00 0.00 H new ATOM 0 HA ARG A 84 -18.088 11.398 -7.149 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -18.424 9.428 -4.812 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -18.155 8.979 -6.485 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -16.222 10.664 -4.809 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -16.032 8.949 -5.114 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -16.361 9.852 -7.693 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -15.613 11.264 -6.974 1.00 0.00 H new ATOM 0 HE ARG A 84 -14.001 9.144 -6.047 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -15.224 10.306 -9.109 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -13.825 9.737 -10.025 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -12.214 8.414 -7.218 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -12.134 8.675 -8.964 1.00 0.00 H new ATOM 1331 N HIS A 85 -20.792 11.031 -5.345 1.00 0.00 N ATOM 1332 CA HIS A 85 -22.268 10.884 -5.519 1.00 0.00 C ATOM 1333 C HIS A 85 -23.006 11.777 -4.525 1.00 0.00 C ATOM 1334 O HIS A 85 -24.115 12.209 -4.767 1.00 0.00 O ATOM 1335 CB HIS A 85 -22.655 9.425 -5.278 1.00 0.00 C ATOM 1336 CG HIS A 85 -21.543 8.719 -4.551 1.00 0.00 C ATOM 1337 ND1 HIS A 85 -20.889 7.618 -5.086 1.00 0.00 N ATOM 1338 CD2 HIS A 85 -20.961 8.938 -3.326 1.00 0.00 C ATOM 1339 CE1 HIS A 85 -19.962 7.221 -4.194 1.00 0.00 C ATOM 1340 NE2 HIS A 85 -19.963 7.990 -3.103 1.00 0.00 N ATOM 0 H HIS A 85 -20.476 11.178 -4.387 1.00 0.00 H new ATOM 0 HA HIS A 85 -22.543 11.180 -6.531 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -23.574 9.374 -4.694 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -22.853 8.930 -6.228 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -21.235 9.725 -2.639 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -19.298 6.382 -4.343 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -19.363 7.903 -2.283 1.00 0.00 H new