USER MOD reduce.3.24.130724 H: found=0, std=0, add=986, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 1009 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 144 HIS :FLIP no HD1:sc= -3.83! C(o=-9.1!,f=-6.9!) USER MOD Set 1.2: A 148 CYS SG : rot 92:sc= -3.09! USER MOD Set 2.1: A 35 GLN : amide:sc= -5.34! C(o=-9.6!,f=-12!) USER MOD Set 2.2: A 117 GLN :FLIP amide:sc= -4.22! C(o=-18!,f=-9.6!) USER MOD Set 3.1: A 42 HIS : no HD1:sc= -0.0193 X(o=-0.019,f=-0.46) USER MOD Set 3.2: A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 CYS SG : rot 28:sc= -2.32 USER MOD Single : A 47 LYS NZ :NH3+ -167:sc= -0.323 (180deg=-0.86) USER MOD Single : A 49 HIS : no HE2:sc= -5.2! C(o=-5.2!,f=-8.7!) USER MOD Single : A 59 THR OG1 : rot 89:sc= -2.64! USER MOD Single : A 64 THR OG1 : rot 45:sc= -6.46! USER MOD Single : A 65 GLN : amide:sc= -0.845 K(o=-0.85,f=-4.2!) USER MOD Single : A 74 GLN : amide:sc= -0.944! X(o=-0.94!,f=-0.91) USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.107 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN : amide:sc= 0.0747 K(o=0.075,f=-0.45) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 172:sc= -0.791 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= -0.0109 USER MOD Single : A 114 HIS : no HD1:sc= -0.0341 X(o=-0.034,f=-0.058) USER MOD Single : A 116 HIS : no HE2:sc= -0.0954 K(o=-0.095,f=-7.5!) USER MOD Single : A 119 TYR OH : rot 180:sc= 0 USER MOD Single : A 128 CYS SG : rot 22:sc= -3.02 USER MOD Single : A 129 GLN : amide:sc= -6.41! C(o=-6.4!,f=-9.2!) USER MOD Single : A 132 GLN :FLIP amide:sc= -3.76 F(o=-6.7!,f=-3.8) USER MOD Single : A 134 LYS NZ :NH3+ 161:sc= -0.159 (180deg=-1.05) USER MOD Single : A 136 MET CE :methyl -151:sc= -2.22 (180deg=-5.3!) USER MOD Single : A 137 LYS NZ :NH3+ -173:sc= -4.88! (180deg=-5.07!) USER MOD Single : A 141 GLN :FLIP amide:sc= -0.666 F(o=-4!,f=-0.67) USER MOD Single : A 145 GLN : amide:sc= -0.0992 X(o=-0.099,f=-0.35) USER MOD Single : A 149 SER OG : rot 76:sc= 0.557 USER MOD ----------------------------------------------------------------- ATOM 86 N LEU A 8 7.860 -7.844 4.790 1.00 0.00 N ATOM 87 CA LEU A 8 6.575 -8.240 4.147 1.00 0.00 C ATOM 88 C LEU A 8 5.876 -7.003 3.583 1.00 0.00 C ATOM 89 O LEU A 8 5.873 -5.949 4.187 1.00 0.00 O ATOM 90 CB LEU A 8 5.658 -8.888 5.187 1.00 0.00 C ATOM 91 CG LEU A 8 6.472 -9.820 6.091 1.00 0.00 C ATOM 92 CD1 LEU A 8 7.370 -8.988 7.000 1.00 0.00 C ATOM 93 CD2 LEU A 8 5.518 -10.636 6.961 1.00 0.00 C ATOM 0 HA LEU A 8 6.785 -8.946 3.343 1.00 0.00 H new ATOM 0 HB2 LEU A 8 5.172 -8.118 5.787 1.00 0.00 H new ATOM 0 HB3 LEU A 8 4.868 -9.449 4.689 1.00 0.00 H new ATOM 0 HG LEU A 8 7.079 -10.483 5.475 1.00 0.00 H new ATOM 0 HD11 LEU A 8 7.950 -9.650 7.644 1.00 0.00 H new ATOM 0 HD12 LEU A 8 8.047 -8.388 6.392 1.00 0.00 H new ATOM 0 HD13 LEU A 8 6.756 -8.330 7.615 1.00 0.00 H new ATOM 0 HD21 LEU A 8 6.092 -11.301 7.606 1.00 0.00 H new ATOM 0 HD22 LEU A 8 4.919 -9.963 7.575 1.00 0.00 H new ATOM 0 HD23 LEU A 8 4.860 -11.228 6.324 1.00 0.00 H new ATOM 105 N ARG A 9 5.265 -7.130 2.440 1.00 0.00 N ATOM 106 CA ARG A 9 4.543 -5.972 1.850 1.00 0.00 C ATOM 107 C ARG A 9 3.115 -5.964 2.399 1.00 0.00 C ATOM 108 O ARG A 9 2.466 -6.988 2.465 1.00 0.00 O ATOM 109 CB ARG A 9 4.504 -6.108 0.328 1.00 0.00 C ATOM 110 CG ARG A 9 4.046 -4.786 -0.285 1.00 0.00 C ATOM 111 CD ARG A 9 3.861 -4.958 -1.793 1.00 0.00 C ATOM 112 NE ARG A 9 5.165 -5.314 -2.419 1.00 0.00 N ATOM 113 CZ ARG A 9 5.324 -5.188 -3.708 1.00 0.00 C ATOM 114 NH1 ARG A 9 4.344 -4.738 -4.441 1.00 0.00 N ATOM 115 NH2 ARG A 9 6.462 -5.507 -4.260 1.00 0.00 N ATOM 0 H ARG A 9 5.235 -7.987 1.888 1.00 0.00 H new ATOM 0 HA ARG A 9 5.052 -5.044 2.108 1.00 0.00 H new ATOM 0 HB2 ARG A 9 5.491 -6.375 -0.050 1.00 0.00 H new ATOM 0 HB3 ARG A 9 3.825 -6.910 0.040 1.00 0.00 H new ATOM 0 HG2 ARG A 9 3.110 -4.466 0.172 1.00 0.00 H new ATOM 0 HG3 ARG A 9 4.781 -4.006 -0.085 1.00 0.00 H new ATOM 0 HD2 ARG A 9 3.125 -5.737 -1.993 1.00 0.00 H new ATOM 0 HD3 ARG A 9 3.476 -4.037 -2.230 1.00 0.00 H new ATOM 0 HE ARG A 9 5.933 -5.656 -1.841 1.00 0.00 H new ATOM 0 HH11 ARG A 9 3.456 -4.486 -4.007 1.00 0.00 H new ATOM 0 HH12 ARG A 9 4.465 -4.638 -5.449 1.00 0.00 H new ATOM 0 HH21 ARG A 9 7.228 -5.855 -3.684 1.00 0.00 H new ATOM 0 HH22 ARG A 9 6.585 -5.408 -5.268 1.00 0.00 H new ATOM 129 N ALA A 10 2.623 -4.828 2.799 1.00 0.00 N ATOM 130 CA ALA A 10 1.240 -4.777 3.347 1.00 0.00 C ATOM 131 C ALA A 10 0.552 -3.504 2.878 1.00 0.00 C ATOM 132 O ALA A 10 1.191 -2.510 2.589 1.00 0.00 O ATOM 133 CB ALA A 10 1.294 -4.774 4.871 1.00 0.00 C ATOM 0 H ALA A 10 3.115 -3.935 2.771 1.00 0.00 H new ATOM 0 HA ALA A 10 0.686 -5.648 2.997 1.00 0.00 H new ATOM 0 HB1 ALA A 10 0.281 -4.737 5.271 1.00 0.00 H new ATOM 0 HB2 ALA A 10 1.788 -5.681 5.219 1.00 0.00 H new ATOM 0 HB3 ALA A 10 1.852 -3.902 5.214 1.00 0.00 H new ATOM 139 N CYS A 11 -0.747 -3.516 2.808 1.00 0.00 N ATOM 140 CA CYS A 11 -1.467 -2.299 2.370 1.00 0.00 C ATOM 141 C CYS A 11 -2.812 -2.213 3.088 1.00 0.00 C ATOM 142 O CYS A 11 -3.630 -3.110 3.017 1.00 0.00 O ATOM 143 CB CYS A 11 -1.694 -2.362 0.860 1.00 0.00 C ATOM 144 SG CYS A 11 -0.276 -1.624 0.012 1.00 0.00 S ATOM 0 H CYS A 11 -1.338 -4.316 3.035 1.00 0.00 H new ATOM 0 HA CYS A 11 -0.874 -1.417 2.613 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -1.824 -3.397 0.543 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -2.608 -1.830 0.595 1.00 0.00 H new ATOM 0 HG CYS A 11 0.786 -1.750 0.752 1.00 0.00 H new ATOM 150 N GLY A 12 -3.047 -1.130 3.774 1.00 0.00 N ATOM 151 CA GLY A 12 -4.341 -0.959 4.493 1.00 0.00 C ATOM 152 C GLY A 12 -4.994 0.330 4.008 1.00 0.00 C ATOM 153 O GLY A 12 -4.444 1.031 3.184 1.00 0.00 O ATOM 0 H GLY A 12 -2.395 -0.351 3.868 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -4.995 -1.810 4.304 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -4.174 -0.918 5.569 1.00 0.00 H new ATOM 157 N LEU A 13 -6.160 0.652 4.490 1.00 0.00 N ATOM 158 CA LEU A 13 -6.814 1.899 4.012 1.00 0.00 C ATOM 159 C LEU A 13 -7.138 2.832 5.174 1.00 0.00 C ATOM 160 O LEU A 13 -7.953 2.522 6.023 1.00 0.00 O ATOM 161 CB LEU A 13 -8.128 1.545 3.304 1.00 0.00 C ATOM 162 CG LEU A 13 -8.071 1.969 1.833 1.00 0.00 C ATOM 163 CD1 LEU A 13 -9.458 1.850 1.198 1.00 0.00 C ATOM 164 CD2 LEU A 13 -7.599 3.419 1.727 1.00 0.00 C ATOM 0 H LEU A 13 -6.682 0.116 5.183 1.00 0.00 H new ATOM 0 HA LEU A 13 -6.125 2.400 3.331 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.309 0.472 3.373 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.962 2.042 3.801 1.00 0.00 H new ATOM 0 HG LEU A 13 -7.373 1.316 1.310 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -9.407 2.154 0.152 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -9.799 0.816 1.259 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -10.158 2.495 1.729 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -7.561 3.713 0.678 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -8.293 4.068 2.261 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.606 3.511 2.166 1.00 0.00 H new ATOM 176 N ILE A 14 -6.562 4.002 5.185 1.00 0.00 N ATOM 177 CA ILE A 14 -6.913 4.970 6.252 1.00 0.00 C ATOM 178 C ILE A 14 -8.173 5.673 5.776 1.00 0.00 C ATOM 179 O ILE A 14 -8.145 6.526 4.912 1.00 0.00 O ATOM 180 CB ILE A 14 -5.779 5.967 6.476 1.00 0.00 C ATOM 181 CG1 ILE A 14 -4.640 5.254 7.207 1.00 0.00 C ATOM 182 CG2 ILE A 14 -6.280 7.138 7.324 1.00 0.00 C ATOM 183 CD1 ILE A 14 -3.427 6.177 7.303 1.00 0.00 C ATOM 0 H ILE A 14 -5.871 4.324 4.507 1.00 0.00 H new ATOM 0 HA ILE A 14 -7.075 4.471 7.207 1.00 0.00 H new ATOM 0 HB ILE A 14 -5.427 6.350 5.518 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -4.964 4.960 8.205 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -4.372 4.340 6.677 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -5.467 7.847 7.481 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -7.101 7.636 6.808 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -6.629 6.766 8.287 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -2.619 5.663 7.825 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -3.096 6.449 6.301 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -3.698 7.078 7.852 1.00 0.00 H new ATOM 195 N ILE A 15 -9.283 5.260 6.292 1.00 0.00 N ATOM 196 CA ILE A 15 -10.579 5.818 5.847 1.00 0.00 C ATOM 197 C ILE A 15 -10.964 7.029 6.686 1.00 0.00 C ATOM 198 O ILE A 15 -10.879 7.014 7.896 1.00 0.00 O ATOM 199 CB ILE A 15 -11.608 4.708 6.001 1.00 0.00 C ATOM 200 CG1 ILE A 15 -11.226 3.558 5.067 1.00 0.00 C ATOM 201 CG2 ILE A 15 -13.004 5.212 5.657 1.00 0.00 C ATOM 202 CD1 ILE A 15 -11.974 2.289 5.470 1.00 0.00 C ATOM 0 H ILE A 15 -9.351 4.546 7.017 1.00 0.00 H new ATOM 0 HA ILE A 15 -10.521 6.156 4.812 1.00 0.00 H new ATOM 0 HB ILE A 15 -11.619 4.367 7.036 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -11.466 3.820 4.037 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -10.151 3.385 5.110 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -13.723 4.401 5.774 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -13.270 6.032 6.325 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -13.020 5.564 4.626 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -11.697 1.475 4.800 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -11.712 2.022 6.494 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -13.048 2.463 5.404 1.00 0.00 H new ATOM 214 N PHE A 16 -11.386 8.079 6.038 1.00 0.00 N ATOM 215 CA PHE A 16 -11.780 9.304 6.773 1.00 0.00 C ATOM 216 C PHE A 16 -13.111 9.822 6.228 1.00 0.00 C ATOM 217 O PHE A 16 -13.229 10.135 5.063 1.00 0.00 O ATOM 218 CB PHE A 16 -10.708 10.373 6.569 1.00 0.00 C ATOM 219 CG PHE A 16 -10.722 10.828 5.130 1.00 0.00 C ATOM 220 CD1 PHE A 16 -9.968 10.138 4.173 1.00 0.00 C ATOM 221 CD2 PHE A 16 -11.491 11.934 4.751 1.00 0.00 C ATOM 222 CE1 PHE A 16 -9.982 10.555 2.837 1.00 0.00 C ATOM 223 CE2 PHE A 16 -11.504 12.353 3.414 1.00 0.00 C ATOM 224 CZ PHE A 16 -10.751 11.663 2.457 1.00 0.00 C ATOM 0 H PHE A 16 -11.474 8.137 5.023 1.00 0.00 H new ATOM 0 HA PHE A 16 -11.884 9.076 7.834 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -10.892 11.219 7.231 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -9.727 9.974 6.826 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -9.375 9.284 4.466 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -12.074 12.465 5.489 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -9.400 10.023 2.099 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -12.095 13.208 3.122 1.00 0.00 H new ATOM 0 HZ PHE A 16 -10.763 11.984 1.426 1.00 0.00 H new ATOM 234 N ARG A 17 -14.107 9.939 7.060 1.00 0.00 N ATOM 235 CA ARG A 17 -15.408 10.463 6.564 1.00 0.00 C ATOM 236 C ARG A 17 -15.361 11.989 6.606 1.00 0.00 C ATOM 237 O ARG A 17 -15.133 12.579 7.641 1.00 0.00 O ATOM 238 CB ARG A 17 -16.547 9.962 7.449 1.00 0.00 C ATOM 239 CG ARG A 17 -17.879 10.369 6.819 1.00 0.00 C ATOM 240 CD ARG A 17 -19.027 9.961 7.740 1.00 0.00 C ATOM 241 NE ARG A 17 -20.324 10.221 7.056 1.00 0.00 N ATOM 242 CZ ARG A 17 -20.688 9.475 6.051 1.00 0.00 C ATOM 243 NH1 ARG A 17 -19.930 8.484 5.664 1.00 0.00 N ATOM 244 NH2 ARG A 17 -21.810 9.718 5.432 1.00 0.00 N ATOM 0 H ARG A 17 -14.078 9.698 8.051 1.00 0.00 H new ATOM 0 HA ARG A 17 -15.581 10.117 5.545 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -16.495 8.878 7.553 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -16.459 10.383 8.451 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -17.899 11.446 6.651 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -17.993 9.892 5.846 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -18.944 8.905 7.998 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -18.976 10.522 8.673 1.00 0.00 H new ATOM 0 HE ARG A 17 -20.926 10.981 7.373 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -19.053 8.294 6.148 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -20.215 7.901 4.878 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -22.402 10.492 5.734 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -22.095 9.135 4.645 1.00 0.00 H new ATOM 258 N ARG A 18 -15.559 12.635 5.491 1.00 0.00 N ATOM 259 CA ARG A 18 -15.502 14.125 5.483 1.00 0.00 C ATOM 260 C ARG A 18 -16.894 14.713 5.724 1.00 0.00 C ATOM 261 O ARG A 18 -17.863 14.329 5.097 1.00 0.00 O ATOM 262 CB ARG A 18 -14.969 14.605 4.133 1.00 0.00 C ATOM 263 CG ARG A 18 -14.800 16.124 4.158 1.00 0.00 C ATOM 264 CD ARG A 18 -14.094 16.581 2.878 1.00 0.00 C ATOM 265 NE ARG A 18 -14.962 16.298 1.701 1.00 0.00 N ATOM 266 CZ ARG A 18 -16.058 16.982 1.515 1.00 0.00 C ATOM 267 NH1 ARG A 18 -16.398 17.915 2.364 1.00 0.00 N ATOM 268 NH2 ARG A 18 -16.815 16.735 0.481 1.00 0.00 N ATOM 0 H ARG A 18 -15.757 12.200 4.590 1.00 0.00 H new ATOM 0 HA ARG A 18 -14.838 14.458 6.281 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -14.014 14.126 3.917 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -15.656 14.319 3.337 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -15.773 16.607 4.241 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -14.220 16.422 5.032 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -13.874 17.647 2.933 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -13.140 16.064 2.772 1.00 0.00 H new ATOM 0 HE ARG A 18 -14.699 15.568 1.039 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -15.807 18.109 3.172 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -17.255 18.449 2.218 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -16.550 16.007 -0.183 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -17.671 17.270 0.336 1.00 0.00 H new ATOM 434 N ILE A 29 -13.960 15.687 10.360 1.00 0.00 N ATOM 435 CA ILE A 29 -13.544 14.408 9.722 1.00 0.00 C ATOM 436 C ILE A 29 -13.493 13.281 10.751 1.00 0.00 C ATOM 437 O ILE A 29 -13.047 13.456 11.867 1.00 0.00 O ATOM 438 CB ILE A 29 -12.169 14.586 9.087 1.00 0.00 C ATOM 439 CG1 ILE A 29 -12.301 15.485 7.859 1.00 0.00 C ATOM 440 CG2 ILE A 29 -11.618 13.223 8.666 1.00 0.00 C ATOM 441 CD1 ILE A 29 -10.978 16.208 7.601 1.00 0.00 C ATOM 0 HA ILE A 29 -14.274 14.143 8.958 1.00 0.00 H new ATOM 0 HB ILE A 29 -11.488 15.041 9.806 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -12.576 14.889 6.989 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -13.099 16.211 8.013 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -10.635 13.352 8.212 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -11.532 12.579 9.541 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -12.294 12.765 7.944 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -11.078 16.848 6.724 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -10.721 16.818 8.467 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -10.190 15.475 7.427 1.00 0.00 H new ATOM 453 N GLU A 30 -13.935 12.117 10.362 1.00 0.00 N ATOM 454 CA GLU A 30 -13.910 10.944 11.281 1.00 0.00 C ATOM 455 C GLU A 30 -13.178 9.799 10.575 1.00 0.00 C ATOM 456 O GLU A 30 -13.185 9.717 9.364 1.00 0.00 O ATOM 457 CB GLU A 30 -15.343 10.514 11.608 1.00 0.00 C ATOM 458 CG GLU A 30 -16.086 11.676 12.271 1.00 0.00 C ATOM 459 CD GLU A 30 -16.666 12.597 11.194 1.00 0.00 C ATOM 460 OE1 GLU A 30 -17.266 13.596 11.556 1.00 0.00 O ATOM 461 OE2 GLU A 30 -16.498 12.288 10.024 1.00 0.00 O ATOM 0 H GLU A 30 -14.317 11.926 9.436 1.00 0.00 H new ATOM 0 HA GLU A 30 -13.400 11.203 12.209 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -15.860 10.210 10.697 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -15.332 9.649 12.272 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -16.885 11.294 12.906 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -15.407 12.235 12.915 1.00 0.00 H new ATOM 469 N PHE A 31 -12.543 8.920 11.305 1.00 0.00 N ATOM 470 CA PHE A 31 -11.812 7.802 10.641 1.00 0.00 C ATOM 471 C PHE A 31 -12.429 6.455 11.030 1.00 0.00 C ATOM 472 O PHE A 31 -12.996 6.303 12.095 1.00 0.00 O ATOM 473 CB PHE A 31 -10.341 7.817 11.074 1.00 0.00 C ATOM 474 CG PHE A 31 -9.681 9.116 10.661 1.00 0.00 C ATOM 475 CD1 PHE A 31 -9.191 9.275 9.358 1.00 0.00 C ATOM 476 CD2 PHE A 31 -9.544 10.155 11.589 1.00 0.00 C ATOM 477 CE1 PHE A 31 -8.563 10.474 8.988 1.00 0.00 C ATOM 478 CE2 PHE A 31 -8.919 11.351 11.216 1.00 0.00 C ATOM 479 CZ PHE A 31 -8.430 11.511 9.914 1.00 0.00 C ATOM 0 H PHE A 31 -12.499 8.927 12.324 1.00 0.00 H new ATOM 0 HA PHE A 31 -11.885 7.934 9.562 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -10.272 7.695 12.155 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -9.814 6.975 10.624 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -9.297 8.476 8.639 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -9.921 10.034 12.594 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -8.182 10.595 7.985 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -8.814 12.151 11.934 1.00 0.00 H new ATOM 0 HZ PHE A 31 -7.951 12.435 9.626 1.00 0.00 H new ATOM 489 N LEU A 32 -12.308 5.470 10.175 1.00 0.00 N ATOM 490 CA LEU A 32 -12.869 4.125 10.497 1.00 0.00 C ATOM 491 C LEU A 32 -11.838 3.335 11.299 1.00 0.00 C ATOM 492 O LEU A 32 -10.694 3.210 10.905 1.00 0.00 O ATOM 493 CB LEU A 32 -13.191 3.363 9.204 1.00 0.00 C ATOM 494 CG LEU A 32 -13.591 1.922 9.539 1.00 0.00 C ATOM 495 CD1 LEU A 32 -14.818 1.919 10.451 1.00 0.00 C ATOM 496 CD2 LEU A 32 -13.927 1.176 8.248 1.00 0.00 C ATOM 0 H LEU A 32 -11.845 5.541 9.269 1.00 0.00 H new ATOM 0 HA LEU A 32 -13.784 4.248 11.076 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -14.000 3.860 8.670 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -12.324 3.366 8.543 1.00 0.00 H new ATOM 0 HG LEU A 32 -12.761 1.431 10.048 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -15.096 0.891 10.684 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -14.587 2.451 11.374 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -15.648 2.413 9.946 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -14.212 0.151 8.484 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -14.754 1.676 7.744 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -13.055 1.169 7.594 1.00 0.00 H new ATOM 508 N LEU A 33 -12.232 2.798 12.418 1.00 0.00 N ATOM 509 CA LEU A 33 -11.277 2.011 13.247 1.00 0.00 C ATOM 510 C LEU A 33 -11.888 0.654 13.585 1.00 0.00 C ATOM 511 O LEU A 33 -13.024 0.558 14.002 1.00 0.00 O ATOM 512 CB LEU A 33 -10.968 2.770 14.535 1.00 0.00 C ATOM 513 CG LEU A 33 -9.798 3.723 14.293 1.00 0.00 C ATOM 514 CD1 LEU A 33 -9.758 4.773 15.401 1.00 0.00 C ATOM 515 CD2 LEU A 33 -8.485 2.933 14.295 1.00 0.00 C ATOM 0 H LEU A 33 -13.177 2.870 12.796 1.00 0.00 H new ATOM 0 HA LEU A 33 -10.354 1.861 12.687 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -11.845 3.329 14.861 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -10.722 2.070 15.333 1.00 0.00 H new ATOM 0 HG LEU A 33 -9.926 4.215 13.329 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -8.923 5.453 15.228 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -10.691 5.337 15.402 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -9.631 4.280 16.365 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -7.651 3.613 14.122 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -8.358 2.441 15.259 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -8.511 2.183 13.505 1.00 0.00 H new ATOM 527 N LEU A 34 -11.136 -0.395 13.410 1.00 0.00 N ATOM 528 CA LEU A 34 -11.662 -1.749 13.721 1.00 0.00 C ATOM 529 C LEU A 34 -11.039 -2.241 15.028 1.00 0.00 C ATOM 530 O LEU A 34 -9.890 -1.973 15.318 1.00 0.00 O ATOM 531 CB LEU A 34 -11.304 -2.698 12.576 1.00 0.00 C ATOM 532 CG LEU A 34 -11.750 -2.073 11.251 1.00 0.00 C ATOM 533 CD1 LEU A 34 -11.375 -2.995 10.093 1.00 0.00 C ATOM 534 CD2 LEU A 34 -13.264 -1.873 11.265 1.00 0.00 C ATOM 0 H LEU A 34 -10.177 -0.372 13.064 1.00 0.00 H new ATOM 0 HA LEU A 34 -12.746 -1.716 13.833 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -10.230 -2.883 12.562 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -11.791 -3.662 12.720 1.00 0.00 H new ATOM 0 HG LEU A 34 -11.254 -1.111 11.124 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -11.694 -2.546 9.152 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -10.295 -3.139 10.078 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -11.868 -3.959 10.221 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -13.581 -1.428 10.322 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -13.757 -2.836 11.396 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -13.536 -1.212 12.088 1.00 0.00 H new ATOM 546 N GLN A 35 -11.790 -2.946 15.827 1.00 0.00 N ATOM 547 CA GLN A 35 -11.245 -3.441 17.123 1.00 0.00 C ATOM 548 C GLN A 35 -10.357 -4.666 16.875 1.00 0.00 C ATOM 549 O GLN A 35 -10.617 -5.463 15.999 1.00 0.00 O ATOM 550 CB GLN A 35 -12.410 -3.820 18.040 1.00 0.00 C ATOM 551 CG GLN A 35 -11.901 -4.045 19.462 1.00 0.00 C ATOM 552 CD GLN A 35 -13.090 -4.328 20.383 1.00 0.00 C ATOM 553 OE1 GLN A 35 -14.226 -4.240 19.969 1.00 0.00 O ATOM 554 NE2 GLN A 35 -12.872 -4.663 21.626 1.00 0.00 N ATOM 0 H GLN A 35 -12.759 -3.202 15.639 1.00 0.00 H new ATOM 0 HA GLN A 35 -10.647 -2.661 17.595 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -13.161 -3.030 18.034 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -12.895 -4.724 17.671 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -11.202 -4.881 19.483 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -11.357 -3.167 19.810 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -11.916 -4.737 21.974 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -13.658 -4.851 22.249 1.00 0.00 H new ATOM 641 N HIS A 42 -6.304 -3.301 21.014 1.00 0.00 N ATOM 642 CA HIS A 42 -5.836 -2.059 20.342 1.00 0.00 C ATOM 643 C HIS A 42 -6.657 -1.835 19.072 1.00 0.00 C ATOM 644 O HIS A 42 -7.184 -2.762 18.492 1.00 0.00 O ATOM 645 CB HIS A 42 -4.356 -2.196 19.983 1.00 0.00 C ATOM 646 CG HIS A 42 -4.169 -3.333 19.019 1.00 0.00 C ATOM 647 ND1 HIS A 42 -4.100 -4.655 19.438 1.00 0.00 N ATOM 648 CD2 HIS A 42 -4.034 -3.365 17.652 1.00 0.00 C ATOM 649 CE1 HIS A 42 -3.928 -5.419 18.344 1.00 0.00 C ATOM 650 NE2 HIS A 42 -3.882 -4.681 17.234 1.00 0.00 N ATOM 0 HA HIS A 42 -5.963 -1.209 21.013 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -3.992 -1.269 19.541 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -3.768 -2.371 20.884 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -4.044 -2.501 17.003 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -3.838 -6.495 18.362 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -3.761 -5.014 16.277 1.00 0.00 H new ATOM 659 N TRP A 43 -6.781 -0.610 18.642 1.00 0.00 N ATOM 660 CA TRP A 43 -7.580 -0.332 17.416 1.00 0.00 C ATOM 661 C TRP A 43 -6.646 -0.029 16.245 1.00 0.00 C ATOM 662 O TRP A 43 -5.666 0.675 16.387 1.00 0.00 O ATOM 663 CB TRP A 43 -8.474 0.877 17.665 1.00 0.00 C ATOM 664 CG TRP A 43 -9.355 0.613 18.844 1.00 0.00 C ATOM 665 CD1 TRP A 43 -8.955 0.646 20.137 1.00 0.00 C ATOM 666 CD2 TRP A 43 -10.772 0.281 18.863 1.00 0.00 C ATOM 667 NE1 TRP A 43 -10.037 0.358 20.947 1.00 0.00 N ATOM 668 CE2 TRP A 43 -11.180 0.123 20.209 1.00 0.00 C ATOM 669 CE3 TRP A 43 -11.732 0.103 17.853 1.00 0.00 C ATOM 670 CZ2 TRP A 43 -12.496 -0.200 20.541 1.00 0.00 C ATOM 671 CZ3 TRP A 43 -13.057 -0.223 18.183 1.00 0.00 C ATOM 672 CH2 TRP A 43 -13.438 -0.373 19.524 1.00 0.00 C ATOM 0 H TRP A 43 -6.365 0.209 19.085 1.00 0.00 H new ATOM 0 HA TRP A 43 -8.188 -1.205 17.177 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -7.864 1.762 17.845 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -9.081 1.081 16.783 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -7.954 0.862 20.480 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -9.996 0.323 21.966 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -11.449 0.218 16.817 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -12.784 -0.315 21.575 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -13.787 -0.359 17.399 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -14.459 -0.622 19.771 1.00 0.00 H new ATOM 683 N THR A 44 -6.949 -0.544 15.089 1.00 0.00 N ATOM 684 CA THR A 44 -6.090 -0.278 13.906 1.00 0.00 C ATOM 685 C THR A 44 -6.943 -0.373 12.639 1.00 0.00 C ATOM 686 O THR A 44 -7.902 -1.118 12.586 1.00 0.00 O ATOM 687 CB THR A 44 -4.963 -1.311 13.846 1.00 0.00 C ATOM 688 OG1 THR A 44 -5.390 -2.510 14.480 1.00 0.00 O ATOM 689 CG2 THR A 44 -3.725 -0.766 14.560 1.00 0.00 C ATOM 0 H THR A 44 -7.758 -1.140 14.912 1.00 0.00 H new ATOM 0 HA THR A 44 -5.656 0.719 13.983 1.00 0.00 H new ATOM 0 HB THR A 44 -4.714 -1.517 12.805 1.00 0.00 H new ATOM 0 HG1 THR A 44 -4.671 -3.174 14.442 1.00 0.00 H new ATOM 0 HG21 THR A 44 -2.925 -1.504 14.515 1.00 0.00 H new ATOM 0 HG22 THR A 44 -3.399 0.153 14.073 1.00 0.00 H new ATOM 0 HG23 THR A 44 -3.968 -0.557 15.602 1.00 0.00 H new ATOM 697 N PRO A 45 -6.595 0.372 11.625 1.00 0.00 N ATOM 698 CA PRO A 45 -7.339 0.370 10.331 1.00 0.00 C ATOM 699 C PRO A 45 -7.270 -0.997 9.644 1.00 0.00 C ATOM 700 O PRO A 45 -6.358 -1.766 9.871 1.00 0.00 O ATOM 701 CB PRO A 45 -6.630 1.431 9.484 1.00 0.00 C ATOM 702 CG PRO A 45 -5.297 1.643 10.121 1.00 0.00 C ATOM 703 CD PRO A 45 -5.454 1.299 11.600 1.00 0.00 C ATOM 0 HA PRO A 45 -8.399 0.579 10.473 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -6.521 1.097 8.452 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -7.203 2.358 9.460 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -4.541 1.010 9.655 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -4.969 2.675 9.997 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -4.553 0.835 12.001 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -5.648 2.189 12.199 1.00 0.00 H new ATOM 711 N PRO A 46 -8.228 -1.298 8.809 1.00 0.00 N ATOM 712 CA PRO A 46 -8.274 -2.596 8.080 1.00 0.00 C ATOM 713 C PRO A 46 -7.042 -2.788 7.194 1.00 0.00 C ATOM 714 O PRO A 46 -6.841 -2.072 6.235 1.00 0.00 O ATOM 715 CB PRO A 46 -9.542 -2.509 7.221 1.00 0.00 C ATOM 716 CG PRO A 46 -9.913 -1.062 7.184 1.00 0.00 C ATOM 717 CD PRO A 46 -9.365 -0.436 8.463 1.00 0.00 C ATOM 0 HA PRO A 46 -8.284 -3.443 8.766 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -9.360 -2.891 6.217 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -10.346 -3.108 7.649 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -9.491 -0.577 6.304 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -10.995 -0.941 7.127 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -9.052 0.596 8.302 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -10.113 -0.422 9.255 1.00 0.00 H new ATOM 725 N LYS A 47 -6.212 -3.742 7.514 1.00 0.00 N ATOM 726 CA LYS A 47 -4.992 -3.967 6.691 1.00 0.00 C ATOM 727 C LYS A 47 -4.821 -5.456 6.395 1.00 0.00 C ATOM 728 O LYS A 47 -5.361 -6.307 7.075 1.00 0.00 O ATOM 729 CB LYS A 47 -3.763 -3.447 7.441 1.00 0.00 C ATOM 730 CG LYS A 47 -3.530 -4.285 8.699 1.00 0.00 C ATOM 731 CD LYS A 47 -2.413 -3.649 9.528 1.00 0.00 C ATOM 732 CE LYS A 47 -1.991 -4.602 10.649 1.00 0.00 C ATOM 733 NZ LYS A 47 -3.133 -5.487 11.006 1.00 0.00 N ATOM 0 H LYS A 47 -6.326 -4.373 8.307 1.00 0.00 H new ATOM 0 HA LYS A 47 -5.098 -3.430 5.748 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.886 -3.492 6.795 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.906 -2.401 7.711 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.446 -4.344 9.286 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.261 -5.305 8.426 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -1.559 -3.422 8.890 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.755 -2.704 9.951 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -1.139 -5.202 10.329 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -1.671 -4.034 11.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -2.927 -5.976 11.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -3.995 -4.915 11.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -3.277 -6.189 10.253 1.00 0.00 H new ATOM 747 N GLY A 48 -4.070 -5.769 5.378 1.00 0.00 N ATOM 748 CA GLY A 48 -3.847 -7.194 5.016 1.00 0.00 C ATOM 749 C GLY A 48 -2.549 -7.307 4.216 1.00 0.00 C ATOM 750 O GLY A 48 -1.809 -6.352 4.083 1.00 0.00 O ATOM 0 H GLY A 48 -3.598 -5.093 4.778 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -3.789 -7.806 5.916 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -4.685 -7.569 4.429 1.00 0.00 H new ATOM 754 N HIS A 49 -2.262 -8.460 3.683 1.00 0.00 N ATOM 755 CA HIS A 49 -1.008 -8.618 2.896 1.00 0.00 C ATOM 756 C HIS A 49 -1.337 -8.584 1.402 1.00 0.00 C ATOM 757 O HIS A 49 -2.189 -9.310 0.933 1.00 0.00 O ATOM 758 CB HIS A 49 -0.356 -9.957 3.239 1.00 0.00 C ATOM 759 CG HIS A 49 0.906 -10.122 2.439 1.00 0.00 C ATOM 760 ND1 HIS A 49 0.894 -10.296 1.062 1.00 0.00 N ATOM 761 CD2 HIS A 49 2.229 -10.139 2.807 1.00 0.00 C ATOM 762 CE1 HIS A 49 2.172 -10.409 0.655 1.00 0.00 C ATOM 763 NE2 HIS A 49 3.020 -10.320 1.679 1.00 0.00 N ATOM 0 H HIS A 49 -2.839 -9.298 3.757 1.00 0.00 H new ATOM 0 HA HIS A 49 -0.323 -7.806 3.139 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -0.132 -10.001 4.305 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -1.045 -10.774 3.024 1.00 0.00 H new ATOM 0 HD1 HIS A 49 0.067 -10.332 0.466 1.00 0.00 H new ATOM 0 HD2 HIS A 49 2.597 -10.029 3.816 1.00 0.00 H new ATOM 0 HE1 HIS A 49 2.472 -10.554 -0.372 1.00 0.00 H new ATOM 772 N VAL A 50 -0.671 -7.748 0.651 1.00 0.00 N ATOM 773 CA VAL A 50 -0.961 -7.683 -0.808 1.00 0.00 C ATOM 774 C VAL A 50 -0.508 -8.986 -1.471 1.00 0.00 C ATOM 775 O VAL A 50 0.535 -9.526 -1.164 1.00 0.00 O ATOM 776 CB VAL A 50 -0.233 -6.485 -1.436 1.00 0.00 C ATOM 777 CG1 VAL A 50 0.588 -5.759 -0.372 1.00 0.00 C ATOM 778 CG2 VAL A 50 0.689 -6.959 -2.561 1.00 0.00 C ATOM 0 H VAL A 50 0.055 -7.113 0.982 1.00 0.00 H new ATOM 0 HA VAL A 50 -2.033 -7.555 -0.961 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.975 -5.801 -1.848 1.00 0.00 H new ATOM 0 HG11 VAL A 50 1.101 -4.911 -0.825 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -0.073 -5.403 0.418 1.00 0.00 H new ATOM 0 HG13 VAL A 50 1.323 -6.444 0.051 1.00 0.00 H new ATOM 0 HG21 VAL A 50 1.200 -6.101 -2.999 1.00 0.00 H new ATOM 0 HG22 VAL A 50 1.426 -7.654 -2.159 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.099 -7.460 -3.328 1.00 0.00 H new ATOM 788 N GLU A 51 -1.297 -9.493 -2.375 1.00 0.00 N ATOM 789 CA GLU A 51 -0.947 -10.765 -3.068 1.00 0.00 C ATOM 790 C GLU A 51 0.167 -10.504 -4.088 1.00 0.00 C ATOM 791 O GLU A 51 0.645 -9.397 -4.223 1.00 0.00 O ATOM 792 CB GLU A 51 -2.196 -11.293 -3.781 1.00 0.00 C ATOM 793 CG GLU A 51 -2.610 -12.651 -3.199 1.00 0.00 C ATOM 794 CD GLU A 51 -3.617 -12.437 -2.070 1.00 0.00 C ATOM 795 OE1 GLU A 51 -3.205 -12.463 -0.921 1.00 0.00 O ATOM 796 OE2 GLU A 51 -4.785 -12.252 -2.372 1.00 0.00 O ATOM 0 H GLU A 51 -2.181 -9.076 -2.667 1.00 0.00 H new ATOM 0 HA GLU A 51 -0.596 -11.502 -2.346 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -3.013 -10.580 -3.673 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -1.999 -11.393 -4.848 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -3.049 -13.274 -3.978 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -1.734 -13.180 -2.824 1.00 0.00 H new ATOM 804 N PRO A 52 0.583 -11.525 -4.796 1.00 0.00 N ATOM 805 CA PRO A 52 1.668 -11.416 -5.813 1.00 0.00 C ATOM 806 C PRO A 52 1.544 -10.150 -6.671 1.00 0.00 C ATOM 807 O PRO A 52 1.657 -9.046 -6.180 1.00 0.00 O ATOM 808 CB PRO A 52 1.475 -12.670 -6.665 1.00 0.00 C ATOM 809 CG PRO A 52 0.867 -13.677 -5.749 1.00 0.00 C ATOM 810 CD PRO A 52 0.065 -12.899 -4.702 1.00 0.00 C ATOM 0 HA PRO A 52 2.654 -11.344 -5.354 1.00 0.00 H new ATOM 0 HB2 PRO A 52 0.825 -12.471 -7.517 1.00 0.00 H new ATOM 0 HB3 PRO A 52 2.425 -13.024 -7.064 1.00 0.00 H new ATOM 0 HG2 PRO A 52 0.221 -14.360 -6.300 1.00 0.00 H new ATOM 0 HG3 PRO A 52 1.639 -14.282 -5.273 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -1.004 -12.936 -4.911 1.00 0.00 H new ATOM 0 HD3 PRO A 52 0.209 -13.311 -3.703 1.00 0.00 H new ATOM 818 N GLY A 53 1.316 -10.303 -7.948 1.00 0.00 N ATOM 819 CA GLY A 53 1.188 -9.109 -8.827 1.00 0.00 C ATOM 820 C GLY A 53 -0.011 -8.271 -8.383 1.00 0.00 C ATOM 821 O GLY A 53 -0.406 -7.335 -9.047 1.00 0.00 O ATOM 0 H GLY A 53 1.213 -11.202 -8.418 1.00 0.00 H new ATOM 0 HA2 GLY A 53 2.099 -8.512 -8.781 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.063 -9.420 -9.864 1.00 0.00 H new ATOM 825 N GLU A 54 -0.594 -8.597 -7.261 1.00 0.00 N ATOM 826 CA GLU A 54 -1.767 -7.813 -6.779 1.00 0.00 C ATOM 827 C GLU A 54 -1.350 -6.355 -6.599 1.00 0.00 C ATOM 828 O GLU A 54 -0.217 -6.061 -6.275 1.00 0.00 O ATOM 829 CB GLU A 54 -2.248 -8.361 -5.436 1.00 0.00 C ATOM 830 CG GLU A 54 -3.569 -7.683 -5.068 1.00 0.00 C ATOM 831 CD GLU A 54 -3.966 -8.048 -3.636 1.00 0.00 C ATOM 832 OE1 GLU A 54 -3.112 -8.508 -2.905 1.00 0.00 O ATOM 833 OE2 GLU A 54 -5.123 -7.861 -3.297 1.00 0.00 O ATOM 0 H GLU A 54 -0.310 -9.370 -6.659 1.00 0.00 H new ATOM 0 HA GLU A 54 -2.574 -7.889 -7.508 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.383 -9.441 -5.496 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.501 -8.175 -4.664 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -3.470 -6.602 -5.162 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -4.351 -7.993 -5.761 1.00 0.00 H new ATOM 841 N ASP A 55 -2.252 -5.440 -6.801 1.00 0.00 N ATOM 842 CA ASP A 55 -1.893 -4.005 -6.633 1.00 0.00 C ATOM 843 C ASP A 55 -1.728 -3.686 -5.158 1.00 0.00 C ATOM 844 O ASP A 55 -2.215 -4.388 -4.293 1.00 0.00 O ATOM 845 CB ASP A 55 -2.997 -3.113 -7.177 1.00 0.00 C ATOM 846 CG ASP A 55 -2.490 -1.673 -7.255 1.00 0.00 C ATOM 847 OD1 ASP A 55 -1.330 -1.457 -6.943 1.00 0.00 O ATOM 848 OD2 ASP A 55 -3.270 -0.807 -7.615 1.00 0.00 O ATOM 0 H ASP A 55 -3.218 -5.620 -7.074 1.00 0.00 H new ATOM 0 HA ASP A 55 -0.964 -3.825 -7.175 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -3.304 -3.457 -8.165 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -3.875 -3.167 -6.533 1.00 0.00 H new ATOM 854 N ASP A 56 -1.060 -2.613 -4.873 1.00 0.00 N ATOM 855 CA ASP A 56 -0.874 -2.208 -3.457 1.00 0.00 C ATOM 856 C ASP A 56 -2.185 -1.612 -2.939 1.00 0.00 C ATOM 857 O ASP A 56 -2.657 -1.945 -1.872 1.00 0.00 O ATOM 858 CB ASP A 56 0.236 -1.160 -3.372 1.00 0.00 C ATOM 859 CG ASP A 56 1.557 -1.783 -3.820 1.00 0.00 C ATOM 860 OD1 ASP A 56 1.608 -2.996 -3.933 1.00 0.00 O ATOM 861 OD2 ASP A 56 2.496 -1.036 -4.043 1.00 0.00 O ATOM 0 H ASP A 56 -0.632 -1.994 -5.561 1.00 0.00 H new ATOM 0 HA ASP A 56 -0.598 -3.073 -2.853 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -0.007 -0.304 -4.002 1.00 0.00 H new ATOM 0 HB3 ASP A 56 0.324 -0.789 -2.351 1.00 0.00 H new ATOM 867 N LEU A 57 -2.773 -0.726 -3.702 1.00 0.00 N ATOM 868 CA LEU A 57 -4.052 -0.095 -3.272 1.00 0.00 C ATOM 869 C LEU A 57 -5.197 -1.109 -3.334 1.00 0.00 C ATOM 870 O LEU A 57 -5.985 -1.213 -2.419 1.00 0.00 O ATOM 871 CB LEU A 57 -4.368 1.088 -4.189 1.00 0.00 C ATOM 872 CG LEU A 57 -5.688 1.740 -3.763 1.00 0.00 C ATOM 873 CD1 LEU A 57 -5.575 2.253 -2.325 1.00 0.00 C ATOM 874 CD2 LEU A 57 -6.001 2.912 -4.693 1.00 0.00 C ATOM 0 H LEU A 57 -2.419 -0.413 -4.606 1.00 0.00 H new ATOM 0 HA LEU A 57 -3.946 0.251 -2.244 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.561 1.819 -4.145 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.436 0.750 -5.223 1.00 0.00 H new ATOM 0 HG LEU A 57 -6.487 1.000 -3.821 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -6.517 2.715 -2.029 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -5.354 1.420 -1.658 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.774 2.990 -2.263 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -6.940 3.376 -4.390 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -5.198 3.647 -4.635 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -6.089 2.550 -5.717 1.00 0.00 H new ATOM 886 N GLU A 58 -5.300 -1.864 -4.400 1.00 0.00 N ATOM 887 CA GLU A 58 -6.412 -2.855 -4.477 1.00 0.00 C ATOM 888 C GLU A 58 -6.367 -3.731 -3.231 1.00 0.00 C ATOM 889 O GLU A 58 -7.387 -4.071 -2.664 1.00 0.00 O ATOM 890 CB GLU A 58 -6.269 -3.722 -5.733 1.00 0.00 C ATOM 891 CG GLU A 58 -6.679 -2.916 -6.972 1.00 0.00 C ATOM 892 CD GLU A 58 -5.600 -1.890 -7.324 1.00 0.00 C ATOM 893 OE1 GLU A 58 -5.071 -1.969 -8.420 1.00 0.00 O ATOM 894 OE2 GLU A 58 -5.322 -1.040 -6.494 1.00 0.00 O ATOM 0 H GLU A 58 -4.674 -1.838 -5.205 1.00 0.00 H new ATOM 0 HA GLU A 58 -7.367 -2.332 -4.532 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -5.239 -4.063 -5.835 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -6.892 -4.612 -5.644 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -6.838 -3.589 -7.815 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -7.625 -2.408 -6.786 1.00 0.00 H new ATOM 902 N THR A 59 -5.193 -4.070 -2.773 1.00 0.00 N ATOM 903 CA THR A 59 -5.105 -4.883 -1.537 1.00 0.00 C ATOM 904 C THR A 59 -5.808 -4.108 -0.431 1.00 0.00 C ATOM 905 O THR A 59 -6.563 -4.653 0.348 1.00 0.00 O ATOM 906 CB THR A 59 -3.637 -5.113 -1.173 1.00 0.00 C ATOM 907 OG1 THR A 59 -3.027 -5.882 -2.199 1.00 0.00 O ATOM 908 CG2 THR A 59 -3.539 -5.854 0.162 1.00 0.00 C ATOM 0 H THR A 59 -4.301 -3.820 -3.200 1.00 0.00 H new ATOM 0 HA THR A 59 -5.575 -5.856 -1.677 1.00 0.00 H new ATOM 0 HB THR A 59 -3.127 -4.155 -1.077 1.00 0.00 H new ATOM 0 HG1 THR A 59 -2.668 -5.283 -2.887 1.00 0.00 H new ATOM 0 HG21 THR A 59 -2.490 -6.014 0.413 1.00 0.00 H new ATOM 0 HG22 THR A 59 -4.013 -5.260 0.943 1.00 0.00 H new ATOM 0 HG23 THR A 59 -4.043 -6.817 0.082 1.00 0.00 H new ATOM 916 N ALA A 60 -5.590 -2.823 -0.385 1.00 0.00 N ATOM 917 CA ALA A 60 -6.274 -1.996 0.637 1.00 0.00 C ATOM 918 C ALA A 60 -7.768 -1.990 0.309 1.00 0.00 C ATOM 919 O ALA A 60 -8.602 -2.240 1.154 1.00 0.00 O ATOM 920 CB ALA A 60 -5.729 -0.569 0.587 1.00 0.00 C ATOM 0 H ALA A 60 -4.967 -2.314 -1.012 1.00 0.00 H new ATOM 0 HA ALA A 60 -6.105 -2.400 1.635 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -6.232 0.039 1.339 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.658 -0.581 0.788 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -5.908 -0.146 -0.401 1.00 0.00 H new ATOM 926 N LEU A 61 -8.104 -1.731 -0.930 1.00 0.00 N ATOM 927 CA LEU A 61 -9.540 -1.726 -1.338 1.00 0.00 C ATOM 928 C LEU A 61 -10.168 -3.062 -0.966 1.00 0.00 C ATOM 929 O LEU A 61 -11.187 -3.134 -0.310 1.00 0.00 O ATOM 930 CB LEU A 61 -9.624 -1.595 -2.856 1.00 0.00 C ATOM 931 CG LEU A 61 -8.885 -0.346 -3.316 1.00 0.00 C ATOM 932 CD1 LEU A 61 -8.854 -0.321 -4.842 1.00 0.00 C ATOM 933 CD2 LEU A 61 -9.613 0.892 -2.795 1.00 0.00 C ATOM 0 H LEU A 61 -7.443 -1.522 -1.678 1.00 0.00 H new ATOM 0 HA LEU A 61 -10.053 -0.901 -0.843 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -9.192 -2.477 -3.329 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -10.667 -1.545 -3.167 1.00 0.00 H new ATOM 0 HG LEU A 61 -7.866 -0.353 -2.930 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -8.326 0.571 -5.181 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -8.340 -1.209 -5.210 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -9.874 -0.307 -5.226 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -9.086 1.788 -3.123 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -10.631 0.906 -3.184 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -9.642 0.866 -1.706 1.00 0.00 H new ATOM 945 N ARG A 62 -9.544 -4.121 -1.394 1.00 0.00 N ATOM 946 CA ARG A 62 -10.066 -5.475 -1.091 1.00 0.00 C ATOM 947 C ARG A 62 -9.991 -5.724 0.412 1.00 0.00 C ATOM 948 O ARG A 62 -10.905 -6.251 1.009 1.00 0.00 O ATOM 949 CB ARG A 62 -9.217 -6.496 -1.849 1.00 0.00 C ATOM 950 CG ARG A 62 -9.604 -6.474 -3.331 1.00 0.00 C ATOM 951 CD ARG A 62 -8.721 -7.456 -4.107 1.00 0.00 C ATOM 952 NE ARG A 62 -8.988 -7.316 -5.566 1.00 0.00 N ATOM 953 CZ ARG A 62 -9.922 -8.032 -6.131 1.00 0.00 C ATOM 954 NH1 ARG A 62 -10.620 -8.876 -5.425 1.00 0.00 N ATOM 955 NH2 ARG A 62 -10.159 -7.901 -7.408 1.00 0.00 N ATOM 0 H ARG A 62 -8.686 -4.104 -1.946 1.00 0.00 H new ATOM 0 HA ARG A 62 -11.107 -5.565 -1.401 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -8.158 -6.263 -1.734 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -9.371 -7.493 -1.436 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -10.654 -6.743 -3.447 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -9.487 -5.468 -3.733 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -7.669 -7.260 -3.898 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -8.924 -8.477 -3.785 1.00 0.00 H new ATOM 0 HE ARG A 62 -8.441 -6.660 -6.124 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -10.438 -8.979 -4.427 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -11.349 -9.433 -5.871 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -9.615 -7.240 -7.963 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -10.888 -8.460 -7.851 1.00 0.00 H new ATOM 969 N ALA A 63 -8.918 -5.330 1.036 1.00 0.00 N ATOM 970 CA ALA A 63 -8.808 -5.534 2.505 1.00 0.00 C ATOM 971 C ALA A 63 -9.787 -4.591 3.202 1.00 0.00 C ATOM 972 O ALA A 63 -10.351 -4.905 4.233 1.00 0.00 O ATOM 973 CB ALA A 63 -7.379 -5.231 2.961 1.00 0.00 C ATOM 0 H ALA A 63 -8.117 -4.878 0.595 1.00 0.00 H new ATOM 0 HA ALA A 63 -9.046 -6.567 2.758 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -7.301 -5.381 4.038 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -6.685 -5.898 2.450 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -7.132 -4.197 2.720 1.00 0.00 H new ATOM 979 N THR A 64 -9.994 -3.432 2.636 1.00 0.00 N ATOM 980 CA THR A 64 -10.936 -2.452 3.246 1.00 0.00 C ATOM 981 C THR A 64 -12.326 -3.077 3.357 1.00 0.00 C ATOM 982 O THR A 64 -12.980 -2.988 4.377 1.00 0.00 O ATOM 983 CB THR A 64 -11.005 -1.217 2.345 1.00 0.00 C ATOM 984 OG1 THR A 64 -9.701 -0.686 2.176 1.00 0.00 O ATOM 985 CG2 THR A 64 -11.906 -0.155 2.973 1.00 0.00 C ATOM 0 H THR A 64 -9.548 -3.121 1.773 1.00 0.00 H new ATOM 0 HA THR A 64 -10.589 -2.173 4.241 1.00 0.00 H new ATOM 0 HB THR A 64 -11.417 -1.505 1.378 1.00 0.00 H new ATOM 0 HG1 THR A 64 -9.073 -1.414 1.988 1.00 0.00 H new ATOM 0 HG21 THR A 64 -11.947 0.719 2.322 1.00 0.00 H new ATOM 0 HG22 THR A 64 -12.910 -0.559 3.101 1.00 0.00 H new ATOM 0 HG23 THR A 64 -11.505 0.134 3.944 1.00 0.00 H new ATOM 993 N GLN A 65 -12.784 -3.705 2.312 1.00 0.00 N ATOM 994 CA GLN A 65 -14.133 -4.332 2.346 1.00 0.00 C ATOM 995 C GLN A 65 -14.078 -5.680 3.070 1.00 0.00 C ATOM 996 O GLN A 65 -14.971 -6.028 3.815 1.00 0.00 O ATOM 997 CB GLN A 65 -14.641 -4.521 0.914 1.00 0.00 C ATOM 998 CG GLN A 65 -15.317 -5.886 0.776 1.00 0.00 C ATOM 999 CD GLN A 65 -16.026 -5.970 -0.576 1.00 0.00 C ATOM 1000 OE1 GLN A 65 -16.434 -4.965 -1.122 1.00 0.00 O ATOM 1001 NE2 GLN A 65 -16.187 -7.133 -1.143 1.00 0.00 N ATOM 0 H GLN A 65 -12.280 -3.811 1.432 1.00 0.00 H new ATOM 0 HA GLN A 65 -14.817 -3.680 2.889 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -15.346 -3.729 0.662 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -13.811 -4.444 0.212 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -14.576 -6.681 0.860 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -16.034 -6.032 1.584 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -15.844 -7.976 -0.683 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -16.656 -7.199 -2.046 1.00 0.00 H new ATOM 1010 N GLU A 66 -13.043 -6.448 2.860 1.00 0.00 N ATOM 1011 CA GLU A 66 -12.960 -7.770 3.545 1.00 0.00 C ATOM 1012 C GLU A 66 -12.888 -7.567 5.060 1.00 0.00 C ATOM 1013 O GLU A 66 -13.461 -8.318 5.822 1.00 0.00 O ATOM 1014 CB GLU A 66 -11.709 -8.518 3.074 1.00 0.00 C ATOM 1015 CG GLU A 66 -11.894 -8.970 1.625 1.00 0.00 C ATOM 1016 CD GLU A 66 -10.666 -9.764 1.177 1.00 0.00 C ATOM 1017 OE1 GLU A 66 -9.652 -9.679 1.850 1.00 0.00 O ATOM 1018 OE2 GLU A 66 -10.760 -10.446 0.170 1.00 0.00 O ATOM 0 H GLU A 66 -12.258 -6.220 2.250 1.00 0.00 H new ATOM 0 HA GLU A 66 -13.848 -8.353 3.300 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.835 -7.872 3.155 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -11.527 -9.381 3.714 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -12.790 -9.585 1.536 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -12.036 -8.104 0.978 1.00 0.00 H new ATOM 1026 N GLU A 67 -12.186 -6.560 5.505 1.00 0.00 N ATOM 1027 CA GLU A 67 -12.077 -6.325 6.973 1.00 0.00 C ATOM 1028 C GLU A 67 -13.015 -5.189 7.400 1.00 0.00 C ATOM 1029 O GLU A 67 -13.025 -4.783 8.545 1.00 0.00 O ATOM 1030 CB GLU A 67 -10.635 -5.953 7.318 1.00 0.00 C ATOM 1031 CG GLU A 67 -9.713 -7.122 6.965 1.00 0.00 C ATOM 1032 CD GLU A 67 -8.275 -6.778 7.365 1.00 0.00 C ATOM 1033 OE1 GLU A 67 -8.045 -5.646 7.753 1.00 0.00 O ATOM 1034 OE2 GLU A 67 -7.431 -7.654 7.275 1.00 0.00 O ATOM 0 H GLU A 67 -11.685 -5.893 4.918 1.00 0.00 H new ATOM 0 HA GLU A 67 -12.362 -7.234 7.502 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -10.336 -5.060 6.768 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -10.552 -5.717 8.379 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -10.039 -8.025 7.481 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -9.765 -7.330 5.896 1.00 0.00 H new ATOM 1042 N ALA A 68 -13.806 -4.672 6.499 1.00 0.00 N ATOM 1043 CA ALA A 68 -14.734 -3.565 6.882 1.00 0.00 C ATOM 1044 C ALA A 68 -16.003 -3.628 6.033 1.00 0.00 C ATOM 1045 O ALA A 68 -17.043 -3.139 6.422 1.00 0.00 O ATOM 1046 CB ALA A 68 -14.046 -2.217 6.658 1.00 0.00 C ATOM 0 H ALA A 68 -13.851 -4.964 5.523 1.00 0.00 H new ATOM 0 HA ALA A 68 -14.998 -3.674 7.934 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -14.725 -1.411 6.938 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -13.145 -2.162 7.270 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -13.777 -2.116 5.607 1.00 0.00 H new ATOM 1052 N GLY A 69 -15.931 -4.216 4.877 1.00 0.00 N ATOM 1053 CA GLY A 69 -17.142 -4.302 4.013 1.00 0.00 C ATOM 1054 C GLY A 69 -17.223 -3.067 3.122 1.00 0.00 C ATOM 1055 O GLY A 69 -18.087 -2.959 2.272 1.00 0.00 O ATOM 0 H GLY A 69 -15.089 -4.641 4.490 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -17.101 -5.203 3.401 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -18.037 -4.377 4.630 1.00 0.00 H new ATOM 1059 N ILE A 70 -16.330 -2.133 3.298 1.00 0.00 N ATOM 1060 CA ILE A 70 -16.361 -0.913 2.452 1.00 0.00 C ATOM 1061 C ILE A 70 -15.291 -1.030 1.367 1.00 0.00 C ATOM 1062 O ILE A 70 -14.129 -1.241 1.649 1.00 0.00 O ATOM 1063 CB ILE A 70 -16.074 0.318 3.312 1.00 0.00 C ATOM 1064 CG1 ILE A 70 -16.896 0.273 4.601 1.00 0.00 C ATOM 1065 CG2 ILE A 70 -16.478 1.559 2.522 1.00 0.00 C ATOM 1066 CD1 ILE A 70 -16.235 1.155 5.665 1.00 0.00 C ATOM 0 H ILE A 70 -15.582 -2.164 3.991 1.00 0.00 H new ATOM 0 HA ILE A 70 -17.345 -0.812 1.995 1.00 0.00 H new ATOM 0 HB ILE A 70 -15.014 0.341 3.566 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -17.912 0.618 4.408 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -16.971 -0.753 4.961 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -16.281 2.450 3.118 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -15.901 1.606 1.598 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -17.541 1.509 2.284 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -16.823 1.121 6.582 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -15.228 0.790 5.866 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -16.183 2.183 5.305 1.00 0.00 H new ATOM 1078 N GLU A 71 -15.676 -0.897 0.127 1.00 0.00 N ATOM 1079 CA GLU A 71 -14.682 -1.001 -0.983 1.00 0.00 C ATOM 1080 C GLU A 71 -14.552 0.354 -1.682 1.00 0.00 C ATOM 1081 O GLU A 71 -15.329 1.258 -1.449 1.00 0.00 O ATOM 1082 CB GLU A 71 -15.150 -2.054 -1.988 1.00 0.00 C ATOM 1083 CG GLU A 71 -16.384 -1.543 -2.727 1.00 0.00 C ATOM 1084 CD GLU A 71 -16.900 -2.624 -3.680 1.00 0.00 C ATOM 1085 OE1 GLU A 71 -16.300 -3.684 -3.717 1.00 0.00 O ATOM 1086 OE2 GLU A 71 -17.884 -2.371 -4.356 1.00 0.00 O ATOM 0 H GLU A 71 -16.637 -0.721 -0.167 1.00 0.00 H new ATOM 0 HA GLU A 71 -13.713 -1.292 -0.578 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -14.353 -2.273 -2.698 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -15.382 -2.986 -1.472 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -17.162 -1.273 -2.013 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -16.137 -0.640 -3.285 1.00 0.00 H new ATOM 1094 N ALA A 72 -13.576 0.502 -2.538 1.00 0.00 N ATOM 1095 CA ALA A 72 -13.399 1.800 -3.251 1.00 0.00 C ATOM 1096 C ALA A 72 -14.751 2.266 -3.780 1.00 0.00 C ATOM 1097 O ALA A 72 -15.074 3.435 -3.741 1.00 0.00 O ATOM 1098 CB ALA A 72 -12.419 1.623 -4.408 1.00 0.00 C ATOM 0 H ALA A 72 -12.894 -0.219 -2.774 1.00 0.00 H new ATOM 0 HA ALA A 72 -13.001 2.546 -2.564 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -12.292 2.574 -4.926 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -11.456 1.290 -4.021 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -12.808 0.879 -5.104 1.00 0.00 H new ATOM 1104 N GLY A 73 -15.554 1.357 -4.250 1.00 0.00 N ATOM 1105 CA GLY A 73 -16.895 1.753 -4.750 1.00 0.00 C ATOM 1106 C GLY A 73 -17.654 2.434 -3.613 1.00 0.00 C ATOM 1107 O GLY A 73 -18.523 3.253 -3.835 1.00 0.00 O ATOM 0 H GLY A 73 -15.341 0.361 -4.309 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -16.798 2.429 -5.599 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -17.442 0.878 -5.100 1.00 0.00 H new ATOM 1111 N GLN A 74 -17.336 2.092 -2.390 1.00 0.00 N ATOM 1112 CA GLN A 74 -18.045 2.715 -1.237 1.00 0.00 C ATOM 1113 C GLN A 74 -17.205 3.840 -0.619 1.00 0.00 C ATOM 1114 O GLN A 74 -17.684 4.568 0.227 1.00 0.00 O ATOM 1115 CB GLN A 74 -18.336 1.651 -0.181 1.00 0.00 C ATOM 1116 CG GLN A 74 -19.306 0.612 -0.747 1.00 0.00 C ATOM 1117 CD GLN A 74 -19.697 -0.370 0.359 1.00 0.00 C ATOM 1118 OE1 GLN A 74 -20.573 -0.090 1.153 1.00 0.00 O ATOM 1119 NE2 GLN A 74 -19.081 -1.517 0.448 1.00 0.00 N ATOM 0 H GLN A 74 -16.618 1.411 -2.143 1.00 0.00 H new ATOM 0 HA GLN A 74 -18.980 3.143 -1.597 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -17.409 1.167 0.126 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -18.763 2.115 0.708 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -20.194 1.104 -1.143 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -18.842 0.078 -1.576 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -18.345 -1.754 -0.218 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -19.335 -2.177 1.183 1.00 0.00 H new ATOM 1128 N LEU A 75 -15.975 4.018 -1.035 1.00 0.00 N ATOM 1129 CA LEU A 75 -15.169 5.144 -0.459 1.00 0.00 C ATOM 1130 C LEU A 75 -14.528 5.941 -1.587 1.00 0.00 C ATOM 1131 O LEU A 75 -14.779 5.715 -2.755 1.00 0.00 O ATOM 1132 CB LEU A 75 -14.050 4.680 0.499 1.00 0.00 C ATOM 1133 CG LEU A 75 -13.947 3.155 0.583 1.00 0.00 C ATOM 1134 CD1 LEU A 75 -12.712 2.687 -0.181 1.00 0.00 C ATOM 1135 CD2 LEU A 75 -13.787 2.741 2.044 1.00 0.00 C ATOM 0 H LEU A 75 -15.500 3.447 -1.734 1.00 0.00 H new ATOM 0 HA LEU A 75 -15.867 5.749 0.120 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -13.096 5.088 0.163 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -14.237 5.084 1.494 1.00 0.00 H new ATOM 0 HG LEU A 75 -14.846 2.711 0.157 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -12.637 1.601 -0.122 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -12.794 2.989 -1.225 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -11.821 3.136 0.258 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -13.713 1.655 2.109 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -12.882 3.191 2.453 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -14.651 3.081 2.615 1.00 0.00 H new ATOM 1147 N THR A 76 -13.688 6.871 -1.232 1.00 0.00 N ATOM 1148 CA THR A 76 -12.995 7.702 -2.249 1.00 0.00 C ATOM 1149 C THR A 76 -11.521 7.789 -1.869 1.00 0.00 C ATOM 1150 O THR A 76 -11.157 8.424 -0.900 1.00 0.00 O ATOM 1151 CB THR A 76 -13.611 9.103 -2.267 1.00 0.00 C ATOM 1152 OG1 THR A 76 -14.895 9.047 -2.872 1.00 0.00 O ATOM 1153 CG2 THR A 76 -12.710 10.053 -3.052 1.00 0.00 C ATOM 0 H THR A 76 -13.450 7.092 -0.265 1.00 0.00 H new ATOM 0 HA THR A 76 -13.100 7.259 -3.239 1.00 0.00 H new ATOM 0 HB THR A 76 -13.709 9.469 -1.245 1.00 0.00 H new ATOM 0 HG1 THR A 76 -15.291 9.943 -2.882 1.00 0.00 H new ATOM 0 HG21 THR A 76 -13.153 11.049 -3.062 1.00 0.00 H new ATOM 0 HG22 THR A 76 -11.728 10.097 -2.580 1.00 0.00 H new ATOM 0 HG23 THR A 76 -12.605 9.692 -4.075 1.00 0.00 H new ATOM 1161 N ILE A 77 -10.667 7.144 -2.610 1.00 0.00 N ATOM 1162 CA ILE A 77 -9.223 7.183 -2.268 1.00 0.00 C ATOM 1163 C ILE A 77 -8.649 8.533 -2.687 1.00 0.00 C ATOM 1164 O ILE A 77 -8.799 8.961 -3.812 1.00 0.00 O ATOM 1165 CB ILE A 77 -8.493 6.060 -3.008 1.00 0.00 C ATOM 1166 CG1 ILE A 77 -9.328 4.772 -2.952 1.00 0.00 C ATOM 1167 CG2 ILE A 77 -7.133 5.820 -2.347 1.00 0.00 C ATOM 1168 CD1 ILE A 77 -9.349 4.221 -1.522 1.00 0.00 C ATOM 0 H ILE A 77 -10.906 6.594 -3.435 1.00 0.00 H new ATOM 0 HA ILE A 77 -9.093 7.048 -1.194 1.00 0.00 H new ATOM 0 HB ILE A 77 -8.348 6.346 -4.050 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -10.345 4.974 -3.287 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -8.910 4.028 -3.631 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -6.610 5.020 -2.871 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -6.540 6.733 -2.393 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -7.280 5.535 -1.305 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -9.943 3.308 -1.493 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -8.331 4.001 -1.202 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -9.788 4.961 -0.853 1.00 0.00 H new ATOM 1180 N ILE A 78 -8.000 9.214 -1.784 1.00 0.00 N ATOM 1181 CA ILE A 78 -7.428 10.544 -2.128 1.00 0.00 C ATOM 1182 C ILE A 78 -6.039 10.370 -2.728 1.00 0.00 C ATOM 1183 O ILE A 78 -5.271 9.516 -2.329 1.00 0.00 O ATOM 1184 CB ILE A 78 -7.353 11.411 -0.871 1.00 0.00 C ATOM 1185 CG1 ILE A 78 -8.329 12.578 -1.013 1.00 0.00 C ATOM 1186 CG2 ILE A 78 -5.933 11.952 -0.687 1.00 0.00 C ATOM 1187 CD1 ILE A 78 -9.738 12.042 -1.283 1.00 0.00 C ATOM 0 H ILE A 78 -7.842 8.907 -0.824 1.00 0.00 H new ATOM 0 HA ILE A 78 -8.069 11.034 -2.861 1.00 0.00 H new ATOM 0 HB ILE A 78 -7.616 10.809 -0.001 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -8.326 13.180 -0.104 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -8.015 13.230 -1.828 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -5.892 12.568 0.211 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -5.236 11.119 -0.588 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -5.658 12.554 -1.553 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -10.432 12.877 -1.384 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -9.735 11.459 -2.204 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -10.051 11.408 -0.454 1.00 0.00 H new ATOM 1199 N GLU A 79 -5.721 11.176 -3.698 1.00 0.00 N ATOM 1200 CA GLU A 79 -4.391 11.079 -4.360 1.00 0.00 C ATOM 1201 C GLU A 79 -3.477 12.210 -3.881 1.00 0.00 C ATOM 1202 O GLU A 79 -3.930 13.272 -3.505 1.00 0.00 O ATOM 1203 CB GLU A 79 -4.578 11.176 -5.871 1.00 0.00 C ATOM 1204 CG GLU A 79 -5.468 10.025 -6.344 1.00 0.00 C ATOM 1205 CD GLU A 79 -5.589 10.070 -7.867 1.00 0.00 C ATOM 1206 OE1 GLU A 79 -5.204 11.073 -8.444 1.00 0.00 O ATOM 1207 OE2 GLU A 79 -6.063 9.097 -8.431 1.00 0.00 O ATOM 0 H GLU A 79 -6.331 11.906 -4.065 1.00 0.00 H new ATOM 0 HA GLU A 79 -3.930 10.125 -4.104 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -5.031 12.132 -6.133 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -3.611 11.133 -6.372 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -5.045 9.071 -6.030 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -6.455 10.102 -5.887 1.00 0.00 H new ATOM 1215 N GLY A 80 -2.194 11.985 -3.894 1.00 0.00 N ATOM 1216 CA GLY A 80 -1.241 13.039 -3.448 1.00 0.00 C ATOM 1217 C GLY A 80 -0.705 12.683 -2.063 1.00 0.00 C ATOM 1218 O GLY A 80 0.356 13.121 -1.665 1.00 0.00 O ATOM 0 H GLY A 80 -1.762 11.112 -4.196 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -0.418 13.125 -4.158 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -1.740 14.008 -3.419 1.00 0.00 H new ATOM 1222 N PHE A 81 -1.424 11.881 -1.329 1.00 0.00 N ATOM 1223 CA PHE A 81 -0.949 11.488 0.023 1.00 0.00 C ATOM 1224 C PHE A 81 -0.485 10.033 0.005 1.00 0.00 C ATOM 1225 O PHE A 81 -1.211 9.148 -0.400 1.00 0.00 O ATOM 1226 CB PHE A 81 -2.088 11.621 1.033 1.00 0.00 C ATOM 1227 CG PHE A 81 -1.632 11.063 2.360 1.00 0.00 C ATOM 1228 CD1 PHE A 81 -1.632 9.677 2.573 1.00 0.00 C ATOM 1229 CD2 PHE A 81 -1.196 11.925 3.370 1.00 0.00 C ATOM 1230 CE1 PHE A 81 -1.201 9.159 3.801 1.00 0.00 C ATOM 1231 CE2 PHE A 81 -0.764 11.406 4.595 1.00 0.00 C ATOM 1232 CZ PHE A 81 -0.766 10.024 4.811 1.00 0.00 C ATOM 0 H PHE A 81 -2.320 11.481 -1.608 1.00 0.00 H new ATOM 0 HA PHE A 81 -0.123 12.140 0.306 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -2.375 12.667 1.142 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -2.969 11.084 0.681 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -1.964 9.010 1.791 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -1.193 12.992 3.205 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -1.204 8.092 3.968 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -0.428 12.073 5.375 1.00 0.00 H new ATOM 0 HZ PHE A 81 -0.432 9.625 5.757 1.00 0.00 H new ATOM 1242 N LYS A 82 0.707 9.770 0.463 1.00 0.00 N ATOM 1243 CA LYS A 82 1.183 8.363 0.486 1.00 0.00 C ATOM 1244 C LYS A 82 2.288 8.205 1.524 1.00 0.00 C ATOM 1245 O LYS A 82 3.237 8.961 1.566 1.00 0.00 O ATOM 1246 CB LYS A 82 1.721 7.955 -0.878 1.00 0.00 C ATOM 1247 CG LYS A 82 1.471 6.460 -1.074 1.00 0.00 C ATOM 1248 CD LYS A 82 1.981 6.025 -2.449 1.00 0.00 C ATOM 1249 CE LYS A 82 3.500 5.888 -2.418 1.00 0.00 C ATOM 1250 NZ LYS A 82 4.097 6.756 -3.470 1.00 0.00 N ATOM 0 H LYS A 82 1.366 10.463 0.819 1.00 0.00 H new ATOM 0 HA LYS A 82 0.339 7.722 0.743 1.00 0.00 H new ATOM 0 HB2 LYS A 82 1.230 8.527 -1.665 1.00 0.00 H new ATOM 0 HB3 LYS A 82 2.787 8.172 -0.944 1.00 0.00 H new ATOM 0 HG2 LYS A 82 1.976 5.892 -0.292 1.00 0.00 H new ATOM 0 HG3 LYS A 82 0.406 6.246 -0.987 1.00 0.00 H new ATOM 0 HD2 LYS A 82 1.527 5.075 -2.732 1.00 0.00 H new ATOM 0 HD3 LYS A 82 1.688 6.755 -3.203 1.00 0.00 H new ATOM 0 HE2 LYS A 82 3.882 6.172 -1.437 1.00 0.00 H new ATOM 0 HE3 LYS A 82 3.786 4.849 -2.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 5.133 6.663 -3.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 3.741 6.465 -4.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 3.834 7.747 -3.293 1.00 0.00 H new ATOM 1264 N ARG A 83 2.167 7.215 2.349 1.00 0.00 N ATOM 1265 CA ARG A 83 3.193 6.959 3.392 1.00 0.00 C ATOM 1266 C ARG A 83 3.015 5.526 3.880 1.00 0.00 C ATOM 1267 O ARG A 83 1.903 5.054 4.020 1.00 0.00 O ATOM 1268 CB ARG A 83 3.000 7.933 4.554 1.00 0.00 C ATOM 1269 CG ARG A 83 4.012 7.617 5.657 1.00 0.00 C ATOM 1270 CD ARG A 83 3.818 8.588 6.821 1.00 0.00 C ATOM 1271 NE ARG A 83 4.832 8.309 7.876 1.00 0.00 N ATOM 1272 CZ ARG A 83 4.539 8.497 9.136 1.00 0.00 C ATOM 1273 NH1 ARG A 83 3.362 8.952 9.471 1.00 0.00 N ATOM 1274 NH2 ARG A 83 5.423 8.233 10.056 1.00 0.00 N ATOM 0 H ARG A 83 1.387 6.558 2.348 1.00 0.00 H new ATOM 0 HA ARG A 83 4.195 7.099 2.986 1.00 0.00 H new ATOM 0 HB2 ARG A 83 3.131 8.959 4.209 1.00 0.00 H new ATOM 0 HB3 ARG A 83 1.985 7.855 4.944 1.00 0.00 H new ATOM 0 HG2 ARG A 83 3.883 6.591 6.000 1.00 0.00 H new ATOM 0 HG3 ARG A 83 5.027 7.697 5.268 1.00 0.00 H new ATOM 0 HD2 ARG A 83 3.915 9.616 6.471 1.00 0.00 H new ATOM 0 HD3 ARG A 83 2.813 8.485 7.231 1.00 0.00 H new ATOM 0 HE ARG A 83 5.758 7.970 7.614 1.00 0.00 H new ATOM 0 HH11 ARG A 83 2.672 9.161 8.750 1.00 0.00 H new ATOM 0 HH12 ARG A 83 3.133 9.099 10.454 1.00 0.00 H new ATOM 0 HH21 ARG A 83 6.343 7.880 9.793 1.00 0.00 H new ATOM 0 HH22 ARG A 83 5.195 8.379 11.039 1.00 0.00 H new ATOM 1288 N GLU A 84 4.081 4.823 4.137 1.00 0.00 N ATOM 1289 CA GLU A 84 3.919 3.423 4.607 1.00 0.00 C ATOM 1290 C GLU A 84 4.550 3.248 5.980 1.00 0.00 C ATOM 1291 O GLU A 84 5.636 3.727 6.245 1.00 0.00 O ATOM 1292 CB GLU A 84 4.570 2.443 3.626 1.00 0.00 C ATOM 1293 CG GLU A 84 5.994 2.889 3.289 1.00 0.00 C ATOM 1294 CD GLU A 84 5.967 4.260 2.612 1.00 0.00 C ATOM 1295 OE1 GLU A 84 5.265 4.398 1.625 1.00 0.00 O ATOM 1296 OE2 GLU A 84 6.651 5.149 3.093 1.00 0.00 O ATOM 0 H GLU A 84 5.042 5.151 4.044 1.00 0.00 H new ATOM 0 HA GLU A 84 2.851 3.212 4.668 1.00 0.00 H new ATOM 0 HB2 GLU A 84 4.589 1.443 4.060 1.00 0.00 H new ATOM 0 HB3 GLU A 84 3.976 2.383 2.714 1.00 0.00 H new ATOM 0 HG2 GLU A 84 6.594 2.935 4.198 1.00 0.00 H new ATOM 0 HG3 GLU A 84 6.466 2.159 2.632 1.00 0.00 H new ATOM 1304 N LEU A 85 3.886 2.546 6.853 1.00 0.00 N ATOM 1305 CA LEU A 85 4.466 2.326 8.198 1.00 0.00 C ATOM 1306 C LEU A 85 5.195 0.984 8.176 1.00 0.00 C ATOM 1307 O LEU A 85 4.595 -0.053 7.966 1.00 0.00 O ATOM 1308 CB LEU A 85 3.351 2.293 9.250 1.00 0.00 C ATOM 1309 CG LEU A 85 2.370 3.446 9.011 1.00 0.00 C ATOM 1310 CD1 LEU A 85 1.468 3.620 10.235 1.00 0.00 C ATOM 1311 CD2 LEU A 85 3.134 4.747 8.760 1.00 0.00 C ATOM 0 H LEU A 85 2.974 2.119 6.692 1.00 0.00 H new ATOM 0 HA LEU A 85 5.154 3.132 8.452 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.824 1.340 9.203 1.00 0.00 H new ATOM 0 HB3 LEU A 85 3.780 2.371 10.249 1.00 0.00 H new ATOM 0 HG LEU A 85 1.762 3.212 8.137 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.772 4.441 10.061 1.00 0.00 H new ATOM 0 HD12 LEU A 85 0.909 2.701 10.408 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.080 3.843 11.109 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.426 5.558 8.592 1.00 0.00 H new ATOM 0 HD22 LEU A 85 3.752 4.979 9.627 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.769 4.632 7.882 1.00 0.00 H new ATOM 1323 N ASN A 86 6.483 0.995 8.377 1.00 0.00 N ATOM 1324 CA ASN A 86 7.250 -0.280 8.349 1.00 0.00 C ATOM 1325 C ASN A 86 7.889 -0.530 9.712 1.00 0.00 C ATOM 1326 O ASN A 86 8.673 0.259 10.198 1.00 0.00 O ATOM 1327 CB ASN A 86 8.345 -0.190 7.284 1.00 0.00 C ATOM 1328 CG ASN A 86 8.657 1.279 6.994 1.00 0.00 C ATOM 1329 OD1 ASN A 86 9.072 2.007 7.872 1.00 0.00 O ATOM 1330 ND2 ASN A 86 8.467 1.748 5.792 1.00 0.00 N ATOM 0 H ASN A 86 7.037 1.832 8.559 1.00 0.00 H new ATOM 0 HA ASN A 86 6.574 -1.101 8.113 1.00 0.00 H new ATOM 0 HB2 ASN A 86 9.244 -0.702 7.627 1.00 0.00 H new ATOM 0 HB3 ASN A 86 8.021 -0.691 6.372 1.00 0.00 H new ATOM 0 HD21 ASN A 86 8.667 2.727 5.589 1.00 0.00 H new ATOM 0 HD22 ASN A 86 8.118 1.135 5.055 1.00 0.00 H new ATOM 1337 N TYR A 87 7.565 -1.633 10.327 1.00 0.00 N ATOM 1338 CA TYR A 87 8.156 -1.951 11.651 1.00 0.00 C ATOM 1339 C TYR A 87 8.113 -3.457 11.867 1.00 0.00 C ATOM 1340 O TYR A 87 7.282 -4.149 11.317 1.00 0.00 O ATOM 1341 CB TYR A 87 7.357 -1.254 12.754 1.00 0.00 C ATOM 1342 CG TYR A 87 5.882 -1.504 12.544 1.00 0.00 C ATOM 1343 CD1 TYR A 87 5.303 -2.706 12.974 1.00 0.00 C ATOM 1344 CD2 TYR A 87 5.088 -0.532 11.919 1.00 0.00 C ATOM 1345 CE1 TYR A 87 3.934 -2.935 12.776 1.00 0.00 C ATOM 1346 CE2 TYR A 87 3.722 -0.762 11.722 1.00 0.00 C ATOM 1347 CZ TYR A 87 3.145 -1.962 12.151 1.00 0.00 C ATOM 1348 OH TYR A 87 1.798 -2.186 11.957 1.00 0.00 O ATOM 0 H TYR A 87 6.913 -2.329 9.966 1.00 0.00 H new ATOM 0 HA TYR A 87 9.188 -1.603 11.683 1.00 0.00 H new ATOM 0 HB2 TYR A 87 7.664 -1.627 13.731 1.00 0.00 H new ATOM 0 HB3 TYR A 87 7.560 -0.183 12.743 1.00 0.00 H new ATOM 0 HD1 TYR A 87 5.911 -3.456 13.458 1.00 0.00 H new ATOM 0 HD2 TYR A 87 5.532 0.396 11.589 1.00 0.00 H new ATOM 0 HE1 TYR A 87 3.488 -3.862 13.106 1.00 0.00 H new ATOM 0 HE2 TYR A 87 3.113 -0.013 11.238 1.00 0.00 H new ATOM 0 HH TYR A 87 1.398 -1.410 11.511 1.00 0.00 H new ATOM 1444 N PRO A 93 9.528 -7.516 9.737 1.00 0.00 N ATOM 1445 CA PRO A 93 9.203 -6.121 9.314 1.00 0.00 C ATOM 1446 C PRO A 93 8.141 -6.098 8.237 1.00 0.00 C ATOM 1447 O PRO A 93 8.277 -6.736 7.217 1.00 0.00 O ATOM 1448 CB PRO A 93 10.511 -5.602 8.744 1.00 0.00 C ATOM 1449 CG PRO A 93 11.210 -6.818 8.242 1.00 0.00 C ATOM 1450 CD PRO A 93 10.799 -7.969 9.156 1.00 0.00 C ATOM 0 HA PRO A 93 8.815 -5.527 10.142 1.00 0.00 H new ATOM 0 HB2 PRO A 93 10.337 -4.885 7.942 1.00 0.00 H new ATOM 0 HB3 PRO A 93 11.101 -5.092 9.506 1.00 0.00 H new ATOM 0 HG2 PRO A 93 10.931 -7.026 7.209 1.00 0.00 H new ATOM 0 HG3 PRO A 93 12.291 -6.678 8.259 1.00 0.00 H new ATOM 0 HD2 PRO A 93 10.676 -8.898 8.599 1.00 0.00 H new ATOM 0 HD3 PRO A 93 11.547 -8.155 9.926 1.00 0.00 H new ATOM 1458 N LYS A 94 7.095 -5.368 8.444 1.00 0.00 N ATOM 1459 CA LYS A 94 6.024 -5.325 7.416 1.00 0.00 C ATOM 1460 C LYS A 94 5.789 -3.893 6.958 1.00 0.00 C ATOM 1461 O LYS A 94 5.438 -3.026 7.735 1.00 0.00 O ATOM 1462 CB LYS A 94 4.738 -5.904 8.011 1.00 0.00 C ATOM 1463 CG LYS A 94 3.669 -6.021 6.923 1.00 0.00 C ATOM 1464 CD LYS A 94 2.842 -7.289 7.153 1.00 0.00 C ATOM 1465 CE LYS A 94 2.036 -7.153 8.445 1.00 0.00 C ATOM 1466 NZ LYS A 94 1.811 -8.503 9.030 1.00 0.00 N ATOM 0 H LYS A 94 6.930 -4.800 9.275 1.00 0.00 H new ATOM 0 HA LYS A 94 6.327 -5.916 6.552 1.00 0.00 H new ATOM 0 HB2 LYS A 94 4.937 -6.884 8.445 1.00 0.00 H new ATOM 0 HB3 LYS A 94 4.380 -5.265 8.818 1.00 0.00 H new ATOM 0 HG2 LYS A 94 3.022 -5.144 6.939 1.00 0.00 H new ATOM 0 HG3 LYS A 94 4.138 -6.053 5.940 1.00 0.00 H new ATOM 0 HD2 LYS A 94 2.171 -7.454 6.310 1.00 0.00 H new ATOM 0 HD3 LYS A 94 3.499 -8.157 7.213 1.00 0.00 H new ATOM 0 HE2 LYS A 94 2.569 -6.521 9.155 1.00 0.00 H new ATOM 0 HE3 LYS A 94 1.081 -6.668 8.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 1.263 -8.413 9.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 1.285 -9.092 8.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 2.728 -8.949 9.237 1.00 0.00 H new ATOM 1480 N THR A 95 5.959 -3.641 5.691 1.00 0.00 N ATOM 1481 CA THR A 95 5.722 -2.270 5.176 1.00 0.00 C ATOM 1482 C THR A 95 4.234 -2.105 4.924 1.00 0.00 C ATOM 1483 O THR A 95 3.613 -2.911 4.257 1.00 0.00 O ATOM 1484 CB THR A 95 6.492 -2.060 3.871 1.00 0.00 C ATOM 1485 OG1 THR A 95 7.888 -2.135 4.131 1.00 0.00 O ATOM 1486 CG2 THR A 95 6.149 -0.686 3.285 1.00 0.00 C ATOM 0 H THR A 95 6.251 -4.325 4.993 1.00 0.00 H new ATOM 0 HA THR A 95 6.066 -1.535 5.904 1.00 0.00 H new ATOM 0 HB THR A 95 6.213 -2.834 3.155 1.00 0.00 H new ATOM 0 HG1 THR A 95 8.384 -2.003 3.296 1.00 0.00 H new ATOM 0 HG21 THR A 95 6.699 -0.539 2.355 1.00 0.00 H new ATOM 0 HG22 THR A 95 5.079 -0.632 3.086 1.00 0.00 H new ATOM 0 HG23 THR A 95 6.425 0.092 3.997 1.00 0.00 H new ATOM 1494 N VAL A 96 3.653 -1.076 5.454 1.00 0.00 N ATOM 1495 CA VAL A 96 2.201 -0.868 5.254 1.00 0.00 C ATOM 1496 C VAL A 96 1.985 0.455 4.532 1.00 0.00 C ATOM 1497 O VAL A 96 2.373 1.494 5.010 1.00 0.00 O ATOM 1498 CB VAL A 96 1.521 -0.823 6.625 1.00 0.00 C ATOM 1499 CG1 VAL A 96 0.008 -0.707 6.441 1.00 0.00 C ATOM 1500 CG2 VAL A 96 1.844 -2.110 7.395 1.00 0.00 C ATOM 0 H VAL A 96 4.121 -0.367 6.019 1.00 0.00 H new ATOM 0 HA VAL A 96 1.779 -1.678 4.659 1.00 0.00 H new ATOM 0 HB VAL A 96 1.886 0.039 7.184 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -0.476 -0.675 7.417 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -0.223 0.206 5.892 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -0.358 -1.569 5.883 1.00 0.00 H new ATOM 0 HG21 VAL A 96 1.361 -2.081 8.372 1.00 0.00 H new ATOM 0 HG22 VAL A 96 1.478 -2.971 6.835 1.00 0.00 H new ATOM 0 HG23 VAL A 96 2.923 -2.195 7.526 1.00 0.00 H new ATOM 1510 N ILE A 97 1.350 0.426 3.392 1.00 0.00 N ATOM 1511 CA ILE A 97 1.101 1.693 2.653 1.00 0.00 C ATOM 1512 C ILE A 97 -0.336 2.118 2.919 1.00 0.00 C ATOM 1513 O ILE A 97 -1.262 1.355 2.732 1.00 0.00 O ATOM 1514 CB ILE A 97 1.316 1.470 1.151 1.00 0.00 C ATOM 1515 CG1 ILE A 97 2.730 0.912 0.915 1.00 0.00 C ATOM 1516 CG2 ILE A 97 1.140 2.796 0.401 1.00 0.00 C ATOM 1517 CD1 ILE A 97 3.671 2.019 0.414 1.00 0.00 C ATOM 0 H ILE A 97 0.995 -0.418 2.943 1.00 0.00 H new ATOM 0 HA ILE A 97 1.790 2.469 2.986 1.00 0.00 H new ATOM 0 HB ILE A 97 0.582 0.755 0.779 1.00 0.00 H new ATOM 0 HG12 ILE A 97 3.119 0.488 1.841 1.00 0.00 H new ATOM 0 HG13 ILE A 97 2.691 0.103 0.186 1.00 0.00 H new ATOM 0 HG21 ILE A 97 1.294 2.634 -0.666 1.00 0.00 H new ATOM 0 HG22 ILE A 97 0.133 3.178 0.569 1.00 0.00 H new ATOM 0 HG23 ILE A 97 1.868 3.520 0.766 1.00 0.00 H new ATOM 0 HD11 ILE A 97 4.666 1.605 0.253 1.00 0.00 H new ATOM 0 HD12 ILE A 97 3.290 2.424 -0.524 1.00 0.00 H new ATOM 0 HD13 ILE A 97 3.725 2.815 1.157 1.00 0.00 H new ATOM 1529 N TYR A 98 -0.533 3.321 3.384 1.00 0.00 N ATOM 1530 CA TYR A 98 -1.917 3.771 3.691 1.00 0.00 C ATOM 1531 C TYR A 98 -2.360 4.890 2.752 1.00 0.00 C ATOM 1532 O TYR A 98 -1.677 5.876 2.564 1.00 0.00 O ATOM 1533 CB TYR A 98 -1.975 4.308 5.121 1.00 0.00 C ATOM 1534 CG TYR A 98 -1.933 3.176 6.119 1.00 0.00 C ATOM 1535 CD1 TYR A 98 -3.005 2.283 6.215 1.00 0.00 C ATOM 1536 CD2 TYR A 98 -0.823 3.030 6.961 1.00 0.00 C ATOM 1537 CE1 TYR A 98 -2.971 1.244 7.152 1.00 0.00 C ATOM 1538 CE2 TYR A 98 -0.789 1.993 7.899 1.00 0.00 C ATOM 1539 CZ TYR A 98 -1.862 1.099 7.995 1.00 0.00 C ATOM 1540 OH TYR A 98 -1.826 0.076 8.920 1.00 0.00 O ATOM 0 H TYR A 98 0.200 4.007 3.563 1.00 0.00 H new ATOM 0 HA TYR A 98 -2.578 2.913 3.566 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -1.138 4.984 5.295 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -2.887 4.888 5.260 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -3.860 2.395 5.565 1.00 0.00 H new ATOM 0 HD2 TYR A 98 0.006 3.718 6.886 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -3.799 0.555 7.225 1.00 0.00 H new ATOM 0 HE2 TYR A 98 0.066 1.882 8.550 1.00 0.00 H new ATOM 0 HH TYR A 98 -0.938 0.039 9.333 1.00 0.00 H new ATOM 1550 N TRP A 99 -3.535 4.755 2.209 1.00 0.00 N ATOM 1551 CA TRP A 99 -4.092 5.812 1.328 1.00 0.00 C ATOM 1552 C TRP A 99 -5.299 6.405 2.053 1.00 0.00 C ATOM 1553 O TRP A 99 -6.016 5.703 2.737 1.00 0.00 O ATOM 1554 CB TRP A 99 -4.540 5.212 -0.006 1.00 0.00 C ATOM 1555 CG TRP A 99 -3.374 5.099 -0.935 1.00 0.00 C ATOM 1556 CD1 TRP A 99 -2.900 6.099 -1.712 1.00 0.00 C ATOM 1557 CD2 TRP A 99 -2.534 3.940 -1.202 1.00 0.00 C ATOM 1558 NE1 TRP A 99 -1.825 5.627 -2.442 1.00 0.00 N ATOM 1559 CE2 TRP A 99 -1.560 4.300 -2.165 1.00 0.00 C ATOM 1560 CE3 TRP A 99 -2.526 2.623 -0.713 1.00 0.00 C ATOM 1561 CZ2 TRP A 99 -0.610 3.387 -2.620 1.00 0.00 C ATOM 1562 CZ3 TRP A 99 -1.569 1.701 -1.170 1.00 0.00 C ATOM 1563 CH2 TRP A 99 -0.617 2.082 -2.123 1.00 0.00 C ATOM 0 H TRP A 99 -4.141 3.945 2.341 1.00 0.00 H new ATOM 0 HA TRP A 99 -3.340 6.573 1.120 1.00 0.00 H new ATOM 0 HB2 TRP A 99 -4.981 4.229 0.158 1.00 0.00 H new ATOM 0 HB3 TRP A 99 -5.313 5.837 -0.454 1.00 0.00 H new ATOM 0 HD1 TRP A 99 -3.296 7.103 -1.755 1.00 0.00 H new ATOM 0 HE1 TRP A 99 -1.292 6.190 -3.105 1.00 0.00 H new ATOM 0 HE3 TRP A 99 -3.260 2.317 0.018 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 0.126 3.687 -3.351 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 -1.568 0.692 -0.784 1.00 0.00 H new ATOM 0 HH2 TRP A 99 0.112 1.367 -2.474 1.00 0.00 H new ATOM 1574 N LEU A 100 -5.536 7.678 1.934 1.00 0.00 N ATOM 1575 CA LEU A 100 -6.705 8.256 2.654 1.00 0.00 C ATOM 1576 C LEU A 100 -7.979 7.895 1.890 1.00 0.00 C ATOM 1577 O LEU A 100 -8.014 7.923 0.675 1.00 0.00 O ATOM 1578 CB LEU A 100 -6.553 9.776 2.747 1.00 0.00 C ATOM 1579 CG LEU A 100 -5.068 10.148 2.785 1.00 0.00 C ATOM 1580 CD1 LEU A 100 -4.923 11.622 3.161 1.00 0.00 C ATOM 1581 CD2 LEU A 100 -4.339 9.290 3.824 1.00 0.00 C ATOM 0 H LEU A 100 -4.985 8.334 1.381 1.00 0.00 H new ATOM 0 HA LEU A 100 -6.761 7.852 3.665 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -7.035 10.252 1.893 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -7.053 10.147 3.642 1.00 0.00 H new ATOM 0 HG LEU A 100 -4.632 9.971 1.802 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -3.866 11.888 3.188 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -5.433 12.238 2.421 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -5.366 11.792 4.142 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -3.284 9.561 3.844 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -4.776 9.460 4.808 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -4.438 8.237 3.560 1.00 0.00 H new ATOM 1593 N ALA A 101 -9.024 7.532 2.589 1.00 0.00 N ATOM 1594 CA ALA A 101 -10.285 7.144 1.895 1.00 0.00 C ATOM 1595 C ALA A 101 -11.492 7.771 2.597 1.00 0.00 C ATOM 1596 O ALA A 101 -11.443 8.095 3.765 1.00 0.00 O ATOM 1597 CB ALA A 101 -10.425 5.620 1.922 1.00 0.00 C ATOM 0 H ALA A 101 -9.057 7.488 3.608 1.00 0.00 H new ATOM 0 HA ALA A 101 -10.248 7.500 0.865 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -11.346 5.330 1.416 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -9.574 5.167 1.414 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -10.456 5.276 2.956 1.00 0.00 H new ATOM 1603 N GLU A 102 -12.578 7.943 1.889 1.00 0.00 N ATOM 1604 CA GLU A 102 -13.793 8.548 2.509 1.00 0.00 C ATOM 1605 C GLU A 102 -15.021 7.693 2.180 1.00 0.00 C ATOM 1606 O GLU A 102 -15.373 7.537 1.031 1.00 0.00 O ATOM 1607 CB GLU A 102 -13.997 9.954 1.938 1.00 0.00 C ATOM 1608 CG GLU A 102 -15.192 10.621 2.619 1.00 0.00 C ATOM 1609 CD GLU A 102 -15.512 11.937 1.911 1.00 0.00 C ATOM 1610 OE1 GLU A 102 -14.767 12.304 1.018 1.00 0.00 O ATOM 1611 OE2 GLU A 102 -16.499 12.555 2.271 1.00 0.00 O ATOM 0 H GLU A 102 -12.675 7.690 0.906 1.00 0.00 H new ATOM 0 HA GLU A 102 -13.663 8.597 3.590 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -13.099 10.552 2.091 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -14.164 9.899 0.862 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -16.058 9.959 2.588 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -14.969 10.806 3.670 1.00 0.00 H new ATOM 1619 N VAL A 103 -15.687 7.155 3.168 1.00 0.00 N ATOM 1620 CA VAL A 103 -16.898 6.329 2.878 1.00 0.00 C ATOM 1621 C VAL A 103 -18.096 7.252 2.643 1.00 0.00 C ATOM 1622 O VAL A 103 -18.270 8.248 3.315 1.00 0.00 O ATOM 1623 CB VAL A 103 -17.172 5.370 4.035 1.00 0.00 C ATOM 1624 CG1 VAL A 103 -15.866 4.724 4.454 1.00 0.00 C ATOM 1625 CG2 VAL A 103 -17.758 6.123 5.225 1.00 0.00 C ATOM 0 H VAL A 103 -15.448 7.250 4.155 1.00 0.00 H new ATOM 0 HA VAL A 103 -16.727 5.735 1.980 1.00 0.00 H new ATOM 0 HB VAL A 103 -17.886 4.614 3.710 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -16.049 4.037 5.280 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -15.445 4.175 3.612 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -15.164 5.495 4.772 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -17.947 5.425 6.040 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -17.053 6.885 5.556 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -18.694 6.598 4.930 1.00 0.00 H new ATOM 1635 N LYS A 104 -18.894 6.945 1.660 1.00 0.00 N ATOM 1636 CA LYS A 104 -20.061 7.816 1.330 1.00 0.00 C ATOM 1637 C LYS A 104 -21.105 7.817 2.447 1.00 0.00 C ATOM 1638 O LYS A 104 -21.740 8.823 2.701 1.00 0.00 O ATOM 1639 CB LYS A 104 -20.721 7.310 0.042 1.00 0.00 C ATOM 1640 CG LYS A 104 -19.710 6.537 -0.810 1.00 0.00 C ATOM 1641 CD LYS A 104 -18.365 7.271 -0.834 1.00 0.00 C ATOM 1642 CE LYS A 104 -17.871 7.384 -2.273 1.00 0.00 C ATOM 1643 NZ LYS A 104 -18.619 8.473 -2.960 1.00 0.00 N ATOM 0 H LYS A 104 -18.789 6.123 1.065 1.00 0.00 H new ATOM 0 HA LYS A 104 -19.691 8.834 1.206 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -21.566 6.667 0.288 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -21.116 8.152 -0.526 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -19.577 5.533 -0.407 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -20.090 6.426 -1.826 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -18.473 8.264 -0.397 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -17.635 6.734 -0.229 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -16.802 7.595 -2.288 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -18.017 6.439 -2.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -18.287 8.556 -3.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -19.635 8.253 -2.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -18.457 9.372 -2.463 1.00 0.00 H new ATOM 1657 N ASP A 105 -21.328 6.706 3.083 1.00 0.00 N ATOM 1658 CA ASP A 105 -22.384 6.669 4.141 1.00 0.00 C ATOM 1659 C ASP A 105 -21.793 6.654 5.546 1.00 0.00 C ATOM 1660 O ASP A 105 -20.888 5.907 5.849 1.00 0.00 O ATOM 1661 CB ASP A 105 -23.236 5.416 3.957 1.00 0.00 C ATOM 1662 CG ASP A 105 -24.688 5.813 3.700 1.00 0.00 C ATOM 1663 OD1 ASP A 105 -25.321 5.173 2.876 1.00 0.00 O ATOM 1664 OD2 ASP A 105 -25.146 6.749 4.335 1.00 0.00 O ATOM 0 H ASP A 105 -20.834 5.828 2.923 1.00 0.00 H new ATOM 0 HA ASP A 105 -22.985 7.573 4.036 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -22.857 4.826 3.122 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -23.173 4.788 4.846 1.00 0.00 H new ATOM 1670 N TYR A 106 -22.349 7.446 6.418 1.00 0.00 N ATOM 1671 CA TYR A 106 -21.883 7.460 7.831 1.00 0.00 C ATOM 1672 C TYR A 106 -22.221 6.103 8.439 1.00 0.00 C ATOM 1673 O TYR A 106 -21.442 5.509 9.155 1.00 0.00 O ATOM 1674 CB TYR A 106 -22.605 8.568 8.600 1.00 0.00 C ATOM 1675 CG TYR A 106 -22.266 8.484 10.070 1.00 0.00 C ATOM 1676 CD1 TYR A 106 -20.981 8.809 10.520 1.00 0.00 C ATOM 1677 CD2 TYR A 106 -23.246 8.089 10.988 1.00 0.00 C ATOM 1678 CE1 TYR A 106 -20.677 8.739 11.886 1.00 0.00 C ATOM 1679 CE2 TYR A 106 -22.942 8.018 12.352 1.00 0.00 C ATOM 1680 CZ TYR A 106 -21.659 8.343 12.801 1.00 0.00 C ATOM 1681 OH TYR A 106 -21.360 8.274 14.146 1.00 0.00 O ATOM 0 H TYR A 106 -23.113 8.090 6.210 1.00 0.00 H new ATOM 0 HA TYR A 106 -20.810 7.646 7.882 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -22.315 9.543 8.207 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -23.682 8.476 8.461 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -20.223 9.114 9.814 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -24.238 7.839 10.643 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -19.685 8.990 12.233 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -23.699 7.712 13.058 1.00 0.00 H new ATOM 0 HH TYR A 106 -22.153 7.984 14.643 1.00 0.00 H new ATOM 1691 N ASP A 107 -23.386 5.603 8.124 1.00 0.00 N ATOM 1692 CA ASP A 107 -23.802 4.277 8.639 1.00 0.00 C ATOM 1693 C ASP A 107 -23.387 3.226 7.618 1.00 0.00 C ATOM 1694 O ASP A 107 -23.817 2.089 7.668 1.00 0.00 O ATOM 1695 CB ASP A 107 -25.321 4.246 8.821 1.00 0.00 C ATOM 1696 CG ASP A 107 -25.717 5.223 9.928 1.00 0.00 C ATOM 1697 OD1 ASP A 107 -24.838 5.642 10.661 1.00 0.00 O ATOM 1698 OD2 ASP A 107 -26.894 5.537 10.024 1.00 0.00 O ATOM 0 H ASP A 107 -24.070 6.065 7.525 1.00 0.00 H new ATOM 0 HA ASP A 107 -23.331 4.080 9.602 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -25.816 4.515 7.888 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -25.648 3.238 9.076 1.00 0.00 H new ATOM 1704 N VAL A 108 -22.542 3.601 6.693 1.00 0.00 N ATOM 1705 CA VAL A 108 -22.089 2.633 5.666 1.00 0.00 C ATOM 1706 C VAL A 108 -21.924 1.276 6.343 1.00 0.00 C ATOM 1707 O VAL A 108 -21.547 1.193 7.494 1.00 0.00 O ATOM 1708 CB VAL A 108 -20.746 3.105 5.096 1.00 0.00 C ATOM 1709 CG1 VAL A 108 -19.783 3.381 6.246 1.00 0.00 C ATOM 1710 CG2 VAL A 108 -20.153 2.025 4.186 1.00 0.00 C ATOM 0 H VAL A 108 -22.149 4.538 6.609 1.00 0.00 H new ATOM 0 HA VAL A 108 -22.810 2.557 4.852 1.00 0.00 H new ATOM 0 HB VAL A 108 -20.902 4.014 4.515 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -18.826 3.717 5.847 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -20.199 4.155 6.891 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -19.635 2.468 6.823 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -19.199 2.370 3.786 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -19.997 1.111 4.760 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -20.840 1.824 3.364 1.00 0.00 H new ATOM 1720 N GLU A 109 -22.235 0.215 5.662 1.00 0.00 N ATOM 1721 CA GLU A 109 -22.119 -1.114 6.302 1.00 0.00 C ATOM 1722 C GLU A 109 -20.682 -1.361 6.719 1.00 0.00 C ATOM 1723 O GLU A 109 -19.741 -0.972 6.056 1.00 0.00 O ATOM 1724 CB GLU A 109 -22.566 -2.213 5.341 1.00 0.00 C ATOM 1725 CG GLU A 109 -21.365 -3.079 4.953 1.00 0.00 C ATOM 1726 CD GLU A 109 -21.772 -4.058 3.852 1.00 0.00 C ATOM 1727 OE1 GLU A 109 -22.544 -4.958 4.143 1.00 0.00 O ATOM 1728 OE2 GLU A 109 -21.304 -3.890 2.739 1.00 0.00 O ATOM 0 H GLU A 109 -22.562 0.211 4.696 1.00 0.00 H new ATOM 0 HA GLU A 109 -22.763 -1.131 7.181 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -23.334 -2.828 5.809 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -23.011 -1.771 4.450 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -20.546 -2.448 4.608 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -21.002 -3.626 5.823 1.00 0.00 H new ATOM 1736 N ILE A 110 -20.528 -2.025 7.814 1.00 0.00 N ATOM 1737 CA ILE A 110 -19.174 -2.349 8.321 1.00 0.00 C ATOM 1738 C ILE A 110 -19.067 -3.862 8.501 1.00 0.00 C ATOM 1739 O ILE A 110 -19.704 -4.444 9.357 1.00 0.00 O ATOM 1740 CB ILE A 110 -18.942 -1.628 9.651 1.00 0.00 C ATOM 1741 CG1 ILE A 110 -18.808 -0.123 9.387 1.00 0.00 C ATOM 1742 CG2 ILE A 110 -17.670 -2.154 10.312 1.00 0.00 C ATOM 1743 CD1 ILE A 110 -17.614 0.139 8.461 1.00 0.00 C ATOM 0 H ILE A 110 -21.295 -2.366 8.394 1.00 0.00 H new ATOM 0 HA ILE A 110 -18.414 -2.019 7.613 1.00 0.00 H new ATOM 0 HB ILE A 110 -19.785 -1.810 10.318 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -19.722 0.258 8.933 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -18.673 0.410 10.328 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -17.511 -1.637 11.258 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -17.771 -3.224 10.496 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -16.819 -1.978 9.654 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -17.524 1.210 8.277 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -16.701 -0.226 8.932 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -17.767 -0.380 7.515 1.00 0.00 H new ATOM 1755 N ARG A 111 -18.272 -4.503 7.693 1.00 0.00 N ATOM 1756 CA ARG A 111 -18.127 -5.978 7.811 1.00 0.00 C ATOM 1757 C ARG A 111 -16.796 -6.291 8.474 1.00 0.00 C ATOM 1758 O ARG A 111 -15.736 -6.041 7.936 1.00 0.00 O ATOM 1759 CB ARG A 111 -18.191 -6.605 6.418 1.00 0.00 C ATOM 1760 CG ARG A 111 -19.611 -6.444 5.883 1.00 0.00 C ATOM 1761 CD ARG A 111 -19.668 -6.822 4.402 1.00 0.00 C ATOM 1762 NE ARG A 111 -19.422 -8.282 4.245 1.00 0.00 N ATOM 1763 CZ ARG A 111 -19.686 -8.866 3.109 1.00 0.00 C ATOM 1764 NH1 ARG A 111 -20.167 -8.169 2.116 1.00 0.00 N ATOM 1765 NH2 ARG A 111 -19.467 -10.144 2.964 1.00 0.00 N ATOM 0 H ARG A 111 -17.716 -4.069 6.956 1.00 0.00 H new ATOM 0 HA ARG A 111 -18.933 -6.390 8.418 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -17.477 -6.121 5.751 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -17.920 -7.660 6.464 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -20.295 -7.074 6.452 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -19.942 -5.414 6.015 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -20.642 -6.561 3.988 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -18.922 -6.256 3.844 1.00 0.00 H new ATOM 0 HE ARG A 111 -19.048 -8.824 5.024 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -20.336 -7.169 2.229 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -20.374 -8.624 1.227 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -19.089 -10.688 3.740 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -19.674 -10.599 2.075 1.00 0.00 H new ATOM 1779 N LEU A 112 -16.852 -6.821 9.657 1.00 0.00 N ATOM 1780 CA LEU A 112 -15.601 -7.134 10.385 1.00 0.00 C ATOM 1781 C LEU A 112 -15.285 -8.622 10.261 1.00 0.00 C ATOM 1782 O LEU A 112 -16.142 -9.466 10.434 1.00 0.00 O ATOM 1783 CB LEU A 112 -15.778 -6.781 11.861 1.00 0.00 C ATOM 1784 CG LEU A 112 -16.426 -5.402 11.982 1.00 0.00 C ATOM 1785 CD1 LEU A 112 -16.360 -4.937 13.438 1.00 0.00 C ATOM 1786 CD2 LEU A 112 -15.687 -4.401 11.089 1.00 0.00 C ATOM 0 H LEU A 112 -17.713 -7.052 10.152 1.00 0.00 H new ATOM 0 HA LEU A 112 -14.782 -6.555 9.958 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -16.398 -7.530 12.353 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -14.812 -6.786 12.365 1.00 0.00 H new ATOM 0 HG LEU A 112 -17.467 -5.463 11.665 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -16.822 -3.954 13.527 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -16.893 -5.647 14.071 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -15.319 -4.879 13.755 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -16.153 -3.420 11.179 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -14.644 -4.337 11.400 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -15.737 -4.733 10.052 1.00 0.00 H new ATOM 1798 N SER A 113 -14.057 -8.952 9.986 1.00 0.00 N ATOM 1799 CA SER A 113 -13.681 -10.383 9.877 1.00 0.00 C ATOM 1800 C SER A 113 -13.297 -10.887 11.269 1.00 0.00 C ATOM 1801 O SER A 113 -13.154 -10.115 12.195 1.00 0.00 O ATOM 1802 CB SER A 113 -12.494 -10.532 8.922 1.00 0.00 C ATOM 1803 OG SER A 113 -11.322 -10.027 9.549 1.00 0.00 O ATOM 0 H SER A 113 -13.297 -8.290 9.832 1.00 0.00 H new ATOM 0 HA SER A 113 -14.517 -10.964 9.488 1.00 0.00 H new ATOM 0 HB2 SER A 113 -12.356 -11.580 8.656 1.00 0.00 H new ATOM 0 HB3 SER A 113 -12.687 -9.991 7.996 1.00 0.00 H new ATOM 0 HG SER A 113 -10.559 -10.122 8.941 1.00 0.00 H new ATOM 1809 N HIS A 114 -13.134 -12.168 11.433 1.00 0.00 N ATOM 1810 CA HIS A 114 -12.768 -12.695 12.778 1.00 0.00 C ATOM 1811 C HIS A 114 -11.630 -11.853 13.361 1.00 0.00 C ATOM 1812 O HIS A 114 -11.478 -11.744 14.562 1.00 0.00 O ATOM 1813 CB HIS A 114 -12.316 -14.151 12.653 1.00 0.00 C ATOM 1814 CG HIS A 114 -13.449 -14.985 12.118 1.00 0.00 C ATOM 1815 ND1 HIS A 114 -14.634 -15.166 12.821 1.00 0.00 N ATOM 1816 CD2 HIS A 114 -13.595 -15.696 10.950 1.00 0.00 C ATOM 1817 CE1 HIS A 114 -15.430 -15.956 12.075 1.00 0.00 C ATOM 1818 NE2 HIS A 114 -14.844 -16.305 10.930 1.00 0.00 N ATOM 0 H HIS A 114 -13.237 -12.870 10.700 1.00 0.00 H new ATOM 0 HA HIS A 114 -13.634 -12.642 13.437 1.00 0.00 H new ATOM 0 HB2 HIS A 114 -11.455 -14.220 11.988 1.00 0.00 H new ATOM 0 HB3 HIS A 114 -12.000 -14.529 13.625 1.00 0.00 H new ATOM 0 HD2 HIS A 114 -12.853 -15.770 10.169 1.00 0.00 H new ATOM 0 HE1 HIS A 114 -16.421 -16.268 12.369 1.00 0.00 H new ATOM 0 HE2 HIS A 114 -15.231 -16.895 10.194 1.00 0.00 H new ATOM 1827 N GLU A 115 -10.822 -11.262 12.520 1.00 0.00 N ATOM 1828 CA GLU A 115 -9.690 -10.434 13.027 1.00 0.00 C ATOM 1829 C GLU A 115 -10.230 -9.259 13.850 1.00 0.00 C ATOM 1830 O GLU A 115 -9.618 -8.829 14.807 1.00 0.00 O ATOM 1831 CB GLU A 115 -8.886 -9.884 11.847 1.00 0.00 C ATOM 1832 CG GLU A 115 -8.252 -11.040 11.071 1.00 0.00 C ATOM 1833 CD GLU A 115 -7.365 -10.479 9.957 1.00 0.00 C ATOM 1834 OE1 GLU A 115 -6.653 -11.258 9.345 1.00 0.00 O ATOM 1835 OE2 GLU A 115 -7.415 -9.280 9.732 1.00 0.00 O ATOM 0 H GLU A 115 -10.898 -11.317 11.504 1.00 0.00 H new ATOM 0 HA GLU A 115 -9.051 -11.057 13.653 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -9.536 -9.305 11.190 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -8.111 -9.207 12.207 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -7.661 -11.662 11.743 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -9.028 -11.677 10.647 1.00 0.00 H new ATOM 1843 N HIS A 116 -11.368 -8.729 13.481 1.00 0.00 N ATOM 1844 CA HIS A 116 -11.934 -7.576 14.240 1.00 0.00 C ATOM 1845 C HIS A 116 -13.318 -7.944 14.781 1.00 0.00 C ATOM 1846 O HIS A 116 -14.100 -8.598 14.118 1.00 0.00 O ATOM 1847 CB HIS A 116 -12.051 -6.367 13.308 1.00 0.00 C ATOM 1848 CG HIS A 116 -10.682 -5.965 12.832 1.00 0.00 C ATOM 1849 ND1 HIS A 116 -9.680 -5.572 13.706 1.00 0.00 N ATOM 1850 CD2 HIS A 116 -10.138 -5.882 11.573 1.00 0.00 C ATOM 1851 CE1 HIS A 116 -8.592 -5.275 12.971 1.00 0.00 C ATOM 1852 NE2 HIS A 116 -8.820 -5.447 11.666 1.00 0.00 N ATOM 0 H HIS A 116 -11.928 -9.045 12.689 1.00 0.00 H new ATOM 0 HA HIS A 116 -11.277 -7.332 15.075 1.00 0.00 H new ATOM 0 HB2 HIS A 116 -12.686 -6.611 12.457 1.00 0.00 H new ATOM 0 HB3 HIS A 116 -12.524 -5.536 13.831 1.00 0.00 H new ATOM 0 HD1 HIS A 116 -9.754 -5.518 14.722 1.00 0.00 H new ATOM 0 HD2 HIS A 116 -10.654 -6.118 10.654 1.00 0.00 H new ATOM 0 HE1 HIS A 116 -7.652 -4.940 13.385 1.00 0.00 H new ATOM 1861 N GLN A 117 -13.626 -7.531 15.983 1.00 0.00 N ATOM 1862 CA GLN A 117 -14.958 -7.863 16.565 1.00 0.00 C ATOM 1863 C GLN A 117 -15.872 -6.633 16.528 1.00 0.00 C ATOM 1864 O GLN A 117 -17.074 -6.749 16.391 1.00 0.00 O ATOM 1865 CB GLN A 117 -14.784 -8.321 18.018 1.00 0.00 C ATOM 1866 CG GLN A 117 -14.341 -7.141 18.887 1.00 0.00 C ATOM 1867 CD GLN A 117 -14.159 -7.611 20.332 1.00 0.00 C ATOM 1868 OE1 GLN A 117 -13.291 -7.006 21.097 1.00 0.00 O flip ATOM 1869 NE2 GLN A 117 -14.811 -8.539 20.769 1.00 0.00 N flip ATOM 0 H GLN A 117 -13.014 -6.980 16.584 1.00 0.00 H new ATOM 0 HA GLN A 117 -15.410 -8.663 15.978 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -15.722 -8.729 18.395 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -14.045 -9.120 18.070 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -13.407 -6.727 18.508 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -15.084 -6.344 18.843 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -15.489 -9.012 20.172 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -14.680 -8.845 21.733 1.00 0.00 H new ATOM 1878 N ALA A 118 -15.319 -5.456 16.660 1.00 0.00 N ATOM 1879 CA ALA A 118 -16.172 -4.232 16.645 1.00 0.00 C ATOM 1880 C ALA A 118 -15.390 -3.051 16.062 1.00 0.00 C ATOM 1881 O ALA A 118 -14.177 -3.071 15.983 1.00 0.00 O ATOM 1882 CB ALA A 118 -16.604 -3.898 18.074 1.00 0.00 C ATOM 0 H ALA A 118 -14.319 -5.290 16.777 1.00 0.00 H new ATOM 0 HA ALA A 118 -17.050 -4.417 16.026 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -17.227 -3.004 18.066 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -17.171 -4.732 18.487 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -15.722 -3.720 18.689 1.00 0.00 H new ATOM 1888 N TYR A 119 -16.085 -2.024 15.649 1.00 0.00 N ATOM 1889 CA TYR A 119 -15.403 -0.834 15.064 1.00 0.00 C ATOM 1890 C TYR A 119 -16.006 0.447 15.650 1.00 0.00 C ATOM 1891 O TYR A 119 -17.106 0.444 16.167 1.00 0.00 O ATOM 1892 CB TYR A 119 -15.606 -0.839 13.550 1.00 0.00 C ATOM 1893 CG TYR A 119 -17.060 -0.582 13.242 1.00 0.00 C ATOM 1894 CD1 TYR A 119 -17.967 -1.648 13.214 1.00 0.00 C ATOM 1895 CD2 TYR A 119 -17.502 0.720 12.981 1.00 0.00 C ATOM 1896 CE1 TYR A 119 -19.314 -1.413 12.926 1.00 0.00 C ATOM 1897 CE2 TYR A 119 -18.850 0.953 12.690 1.00 0.00 C ATOM 1898 CZ TYR A 119 -19.756 -0.111 12.663 1.00 0.00 C ATOM 1899 OH TYR A 119 -21.084 0.122 12.374 1.00 0.00 O ATOM 0 H TYR A 119 -17.102 -1.959 15.692 1.00 0.00 H new ATOM 0 HA TYR A 119 -14.339 -0.871 15.298 1.00 0.00 H new ATOM 0 HB2 TYR A 119 -14.983 -0.075 13.085 1.00 0.00 H new ATOM 0 HB3 TYR A 119 -15.298 -1.798 13.133 1.00 0.00 H new ATOM 0 HD1 TYR A 119 -17.625 -2.653 13.415 1.00 0.00 H new ATOM 0 HD2 TYR A 119 -16.803 1.543 13.004 1.00 0.00 H new ATOM 0 HE1 TYR A 119 -20.014 -2.235 12.906 1.00 0.00 H new ATOM 0 HE2 TYR A 119 -19.192 1.957 12.486 1.00 0.00 H new ATOM 0 HH TYR A 119 -21.222 1.080 12.218 1.00 0.00 H new ATOM 1909 N ARG A 120 -15.297 1.543 15.574 1.00 0.00 N ATOM 1910 CA ARG A 120 -15.840 2.819 16.130 1.00 0.00 C ATOM 1911 C ARG A 120 -15.553 3.982 15.181 1.00 0.00 C ATOM 1912 O ARG A 120 -14.576 3.987 14.458 1.00 0.00 O ATOM 1913 CB ARG A 120 -15.175 3.123 17.471 1.00 0.00 C ATOM 1914 CG ARG A 120 -15.599 2.090 18.514 1.00 0.00 C ATOM 1915 CD ARG A 120 -15.000 2.472 19.868 1.00 0.00 C ATOM 1916 NE ARG A 120 -15.246 1.381 20.850 1.00 0.00 N ATOM 1917 CZ ARG A 120 -16.425 1.244 21.393 1.00 0.00 C ATOM 1918 NH1 ARG A 120 -17.396 2.047 21.053 1.00 0.00 N ATOM 1919 NH2 ARG A 120 -16.635 0.303 22.269 1.00 0.00 N ATOM 0 H ARG A 120 -14.370 1.611 15.153 1.00 0.00 H new ATOM 0 HA ARG A 120 -16.917 2.703 16.256 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -14.091 3.114 17.358 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -15.452 4.123 17.805 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -16.686 2.048 18.582 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -15.260 1.097 18.219 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -13.929 2.648 19.766 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -15.444 3.402 20.224 1.00 0.00 H new ATOM 0 HE ARG A 120 -14.493 0.740 21.099 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -17.233 2.781 20.363 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -18.318 1.941 21.477 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -15.878 -0.328 22.531 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -17.557 0.197 22.693 1.00 0.00 H new ATOM 1933 N TRP A 121 -16.385 4.986 15.211 1.00 0.00 N ATOM 1934 CA TRP A 121 -16.161 6.180 14.352 1.00 0.00 C ATOM 1935 C TRP A 121 -15.807 7.356 15.258 1.00 0.00 C ATOM 1936 O TRP A 121 -16.641 7.870 15.977 1.00 0.00 O ATOM 1937 CB TRP A 121 -17.436 6.491 13.567 1.00 0.00 C ATOM 1938 CG TRP A 121 -17.490 5.607 12.367 1.00 0.00 C ATOM 1939 CD1 TRP A 121 -18.153 4.430 12.295 1.00 0.00 C ATOM 1940 CD2 TRP A 121 -16.861 5.807 11.072 1.00 0.00 C ATOM 1941 NE1 TRP A 121 -17.967 3.891 11.033 1.00 0.00 N ATOM 1942 CE2 TRP A 121 -17.177 4.708 10.241 1.00 0.00 C ATOM 1943 CE3 TRP A 121 -16.053 6.831 10.545 1.00 0.00 C ATOM 1944 CZ2 TRP A 121 -16.704 4.625 8.930 1.00 0.00 C ATOM 1945 CZ3 TRP A 121 -15.578 6.752 9.226 1.00 0.00 C ATOM 1946 CH2 TRP A 121 -15.902 5.652 8.422 1.00 0.00 C ATOM 0 H TRP A 121 -17.217 5.030 15.799 1.00 0.00 H new ATOM 0 HA TRP A 121 -15.352 5.996 13.645 1.00 0.00 H new ATOM 0 HB2 TRP A 121 -18.313 6.331 14.194 1.00 0.00 H new ATOM 0 HB3 TRP A 121 -17.447 7.538 13.265 1.00 0.00 H new ATOM 0 HD1 TRP A 121 -18.732 3.984 13.090 1.00 0.00 H new ATOM 0 HE1 TRP A 121 -18.363 3.003 10.725 1.00 0.00 H new ATOM 0 HE3 TRP A 121 -15.797 7.682 11.158 1.00 0.00 H new ATOM 0 HZ2 TRP A 121 -16.955 3.775 8.313 1.00 0.00 H new ATOM 0 HZ3 TRP A 121 -14.960 7.544 8.829 1.00 0.00 H new ATOM 0 HH2 TRP A 121 -15.532 5.597 7.409 1.00 0.00 H new ATOM 1957 N LEU A 122 -14.568 7.769 15.255 1.00 0.00 N ATOM 1958 CA LEU A 122 -14.162 8.893 16.146 1.00 0.00 C ATOM 1959 C LEU A 122 -13.377 9.937 15.354 1.00 0.00 C ATOM 1960 O LEU A 122 -13.043 9.743 14.201 1.00 0.00 O ATOM 1961 CB LEU A 122 -13.274 8.368 17.280 1.00 0.00 C ATOM 1962 CG LEU A 122 -13.572 6.888 17.558 1.00 0.00 C ATOM 1963 CD1 LEU A 122 -12.410 6.031 17.059 1.00 0.00 C ATOM 1964 CD2 LEU A 122 -13.751 6.675 19.065 1.00 0.00 C ATOM 0 H LEU A 122 -13.823 7.379 14.677 1.00 0.00 H new ATOM 0 HA LEU A 122 -15.063 9.346 16.559 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -12.224 8.489 17.013 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -13.443 8.955 18.183 1.00 0.00 H new ATOM 0 HG LEU A 122 -14.486 6.600 17.039 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -12.622 4.980 17.257 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -12.282 6.180 15.987 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -11.496 6.320 17.577 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -13.963 5.624 19.261 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -12.837 6.964 19.584 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -14.581 7.285 19.423 1.00 0.00 H new ATOM 1976 N GLY A 123 -13.075 11.045 15.976 1.00 0.00 N ATOM 1977 CA GLY A 123 -12.303 12.109 15.278 1.00 0.00 C ATOM 1978 C GLY A 123 -10.809 11.799 15.389 1.00 0.00 C ATOM 1979 O GLY A 123 -10.415 10.778 15.917 1.00 0.00 O ATOM 0 H GLY A 123 -13.331 11.258 16.940 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -12.599 12.162 14.230 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -12.519 13.082 15.720 1.00 0.00 H new ATOM 1983 N LEU A 124 -9.975 12.668 14.891 1.00 0.00 N ATOM 1984 CA LEU A 124 -8.506 12.420 14.960 1.00 0.00 C ATOM 1985 C LEU A 124 -8.056 12.256 16.415 1.00 0.00 C ATOM 1986 O LEU A 124 -7.242 11.414 16.725 1.00 0.00 O ATOM 1987 CB LEU A 124 -7.769 13.606 14.333 1.00 0.00 C ATOM 1988 CG LEU A 124 -6.255 13.408 14.462 1.00 0.00 C ATOM 1989 CD1 LEU A 124 -5.866 12.009 13.981 1.00 0.00 C ATOM 1990 CD2 LEU A 124 -5.540 14.448 13.601 1.00 0.00 C ATOM 0 H LEU A 124 -10.246 13.541 14.438 1.00 0.00 H new ATOM 0 HA LEU A 124 -8.276 11.503 14.417 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -8.044 13.702 13.282 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -8.067 14.532 14.826 1.00 0.00 H new ATOM 0 HG LEU A 124 -5.966 13.522 15.507 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -4.788 11.878 14.077 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -6.378 11.261 14.586 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -6.155 11.890 12.937 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -4.462 14.313 13.688 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -5.838 14.326 12.560 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -5.809 15.448 13.940 1.00 0.00 H new ATOM 2002 N GLU A 125 -8.565 13.065 17.303 1.00 0.00 N ATOM 2003 CA GLU A 125 -8.147 12.965 18.734 1.00 0.00 C ATOM 2004 C GLU A 125 -8.412 11.559 19.275 1.00 0.00 C ATOM 2005 O GLU A 125 -7.524 10.903 19.780 1.00 0.00 O ATOM 2006 CB GLU A 125 -8.933 13.986 19.562 1.00 0.00 C ATOM 2007 CG GLU A 125 -10.416 13.602 19.580 1.00 0.00 C ATOM 2008 CD GLU A 125 -11.224 14.730 20.224 1.00 0.00 C ATOM 2009 OE1 GLU A 125 -12.439 14.632 20.233 1.00 0.00 O ATOM 2010 OE2 GLU A 125 -10.613 15.676 20.695 1.00 0.00 O ATOM 0 H GLU A 125 -9.252 13.791 17.102 1.00 0.00 H new ATOM 0 HA GLU A 125 -7.079 13.170 18.804 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -8.544 14.021 20.580 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -8.810 14.983 19.140 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -10.769 13.421 18.565 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -10.557 12.675 20.136 1.00 0.00 H new ATOM 2018 N GLU A 126 -9.619 11.087 19.175 1.00 0.00 N ATOM 2019 CA GLU A 126 -9.925 9.723 19.689 1.00 0.00 C ATOM 2020 C GLU A 126 -9.258 8.697 18.783 1.00 0.00 C ATOM 2021 O GLU A 126 -8.598 7.784 19.235 1.00 0.00 O ATOM 2022 CB GLU A 126 -11.434 9.505 19.671 1.00 0.00 C ATOM 2023 CG GLU A 126 -12.021 9.670 21.076 1.00 0.00 C ATOM 2024 CD GLU A 126 -11.381 10.868 21.783 1.00 0.00 C ATOM 2025 OE1 GLU A 126 -11.923 11.955 21.670 1.00 0.00 O ATOM 2026 OE2 GLU A 126 -10.368 10.675 22.437 1.00 0.00 O ATOM 0 H GLU A 126 -10.408 11.584 18.761 1.00 0.00 H new ATOM 0 HA GLU A 126 -9.554 9.617 20.709 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -11.901 10.217 18.990 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -11.658 8.508 19.293 1.00 0.00 H new ATOM 0 HG2 GLU A 126 -13.100 9.811 21.012 1.00 0.00 H new ATOM 0 HG3 GLU A 126 -11.852 8.763 21.657 1.00 0.00 H new ATOM 2034 N ALA A 127 -9.401 8.845 17.500 1.00 0.00 N ATOM 2035 CA ALA A 127 -8.752 7.877 16.588 1.00 0.00 C ATOM 2036 C ALA A 127 -7.280 7.793 16.981 1.00 0.00 C ATOM 2037 O ALA A 127 -6.671 6.743 16.949 1.00 0.00 O ATOM 2038 CB ALA A 127 -8.879 8.375 15.152 1.00 0.00 C ATOM 0 H ALA A 127 -9.934 9.588 17.048 1.00 0.00 H new ATOM 0 HA ALA A 127 -9.221 6.896 16.660 1.00 0.00 H new ATOM 0 HB1 ALA A 127 -8.402 7.664 14.477 1.00 0.00 H new ATOM 0 HB2 ALA A 127 -9.933 8.471 14.892 1.00 0.00 H new ATOM 0 HB3 ALA A 127 -8.393 9.346 15.059 1.00 0.00 H new ATOM 2044 N CYS A 128 -6.717 8.899 17.381 1.00 0.00 N ATOM 2045 CA CYS A 128 -5.296 8.903 17.812 1.00 0.00 C ATOM 2046 C CYS A 128 -5.199 8.245 19.190 1.00 0.00 C ATOM 2047 O CYS A 128 -4.249 7.551 19.496 1.00 0.00 O ATOM 2048 CB CYS A 128 -4.803 10.351 17.895 1.00 0.00 C ATOM 2049 SG CYS A 128 -4.015 10.814 16.332 1.00 0.00 S ATOM 0 H CYS A 128 -7.185 9.804 17.427 1.00 0.00 H new ATOM 0 HA CYS A 128 -4.682 8.353 17.099 1.00 0.00 H new ATOM 0 HB2 CYS A 128 -5.638 11.019 18.105 1.00 0.00 H new ATOM 0 HB3 CYS A 128 -4.095 10.458 18.717 1.00 0.00 H new ATOM 0 HG CYS A 128 -4.441 10.034 15.383 1.00 0.00 H new ATOM 2055 N GLN A 129 -6.177 8.461 20.031 1.00 0.00 N ATOM 2056 CA GLN A 129 -6.143 7.857 21.393 1.00 0.00 C ATOM 2057 C GLN A 129 -6.231 6.330 21.290 1.00 0.00 C ATOM 2058 O GLN A 129 -5.462 5.614 21.902 1.00 0.00 O ATOM 2059 CB GLN A 129 -7.309 8.413 22.226 1.00 0.00 C ATOM 2060 CG GLN A 129 -8.554 7.532 22.099 1.00 0.00 C ATOM 2061 CD GLN A 129 -8.457 6.359 23.073 1.00 0.00 C ATOM 2062 OE1 GLN A 129 -7.410 6.095 23.624 1.00 0.00 O ATOM 2063 NE2 GLN A 129 -9.523 5.644 23.313 1.00 0.00 N ATOM 0 H GLN A 129 -6.999 9.031 19.831 1.00 0.00 H new ATOM 0 HA GLN A 129 -5.204 8.113 21.884 1.00 0.00 H new ATOM 0 HB2 GLN A 129 -7.012 8.478 23.273 1.00 0.00 H new ATOM 0 HB3 GLN A 129 -7.543 9.426 21.898 1.00 0.00 H new ATOM 0 HG2 GLN A 129 -9.449 8.118 22.309 1.00 0.00 H new ATOM 0 HG3 GLN A 129 -8.647 7.162 21.078 1.00 0.00 H new ATOM 0 HE21 GLN A 129 -10.403 5.868 22.848 1.00 0.00 H new ATOM 0 HE22 GLN A 129 -9.476 4.861 23.965 1.00 0.00 H new ATOM 2072 N LEU A 130 -7.150 5.826 20.517 1.00 0.00 N ATOM 2073 CA LEU A 130 -7.275 4.347 20.371 1.00 0.00 C ATOM 2074 C LEU A 130 -6.067 3.811 19.609 1.00 0.00 C ATOM 2075 O LEU A 130 -5.493 2.802 19.965 1.00 0.00 O ATOM 2076 CB LEU A 130 -8.544 4.017 19.591 1.00 0.00 C ATOM 2077 CG LEU A 130 -9.770 4.444 20.396 1.00 0.00 C ATOM 2078 CD1 LEU A 130 -10.800 5.064 19.461 1.00 0.00 C ATOM 2079 CD2 LEU A 130 -10.386 3.224 21.080 1.00 0.00 C ATOM 0 H LEU A 130 -7.822 6.373 19.979 1.00 0.00 H new ATOM 0 HA LEU A 130 -7.323 3.888 21.359 1.00 0.00 H new ATOM 0 HB2 LEU A 130 -8.534 4.528 18.628 1.00 0.00 H new ATOM 0 HB3 LEU A 130 -8.587 2.948 19.384 1.00 0.00 H new ATOM 0 HG LEU A 130 -9.469 5.172 21.149 1.00 0.00 H new ATOM 0 HD11 LEU A 130 -11.675 5.369 20.035 1.00 0.00 H new ATOM 0 HD12 LEU A 130 -10.367 5.935 18.969 1.00 0.00 H new ATOM 0 HD13 LEU A 130 -11.096 4.332 18.709 1.00 0.00 H new ATOM 0 HD21 LEU A 130 -11.260 3.531 21.654 1.00 0.00 H new ATOM 0 HD22 LEU A 130 -10.684 2.496 20.326 1.00 0.00 H new ATOM 0 HD23 LEU A 130 -9.653 2.773 21.749 1.00 0.00 H new ATOM 2091 N ALA A 131 -5.664 4.490 18.568 1.00 0.00 N ATOM 2092 CA ALA A 131 -4.480 4.025 17.796 1.00 0.00 C ATOM 2093 C ALA A 131 -3.230 4.402 18.583 1.00 0.00 C ATOM 2094 O ALA A 131 -2.340 5.061 18.087 1.00 0.00 O ATOM 2095 CB ALA A 131 -4.458 4.699 16.424 1.00 0.00 C ATOM 0 H ALA A 131 -6.103 5.343 18.222 1.00 0.00 H new ATOM 0 HA ALA A 131 -4.522 2.946 17.648 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -3.589 4.355 15.863 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -5.366 4.443 15.878 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -4.403 5.780 16.551 1.00 0.00 H new ATOM 2101 N GLN A 132 -3.181 3.987 19.818 1.00 0.00 N ATOM 2102 CA GLN A 132 -2.020 4.313 20.697 1.00 0.00 C ATOM 2103 C GLN A 132 -0.723 4.289 19.893 1.00 0.00 C ATOM 2104 O GLN A 132 0.197 5.029 20.169 1.00 0.00 O ATOM 2105 CB GLN A 132 -1.921 3.281 21.827 1.00 0.00 C ATOM 2106 CG GLN A 132 -2.932 2.148 21.603 1.00 0.00 C ATOM 2107 CD GLN A 132 -4.248 2.463 22.324 1.00 0.00 C ATOM 2108 OE1 GLN A 132 -4.399 3.615 22.923 1.00 0.00 O flip ATOM 2109 NE2 GLN A 132 -5.150 1.651 22.340 1.00 0.00 N flip ATOM 0 H GLN A 132 -3.907 3.427 20.264 1.00 0.00 H new ATOM 0 HA GLN A 132 -2.170 5.309 21.113 1.00 0.00 H new ATOM 0 HB2 GLN A 132 -0.911 2.873 21.869 1.00 0.00 H new ATOM 0 HB3 GLN A 132 -2.111 3.763 22.786 1.00 0.00 H new ATOM 0 HG2 GLN A 132 -3.115 2.020 20.536 1.00 0.00 H new ATOM 0 HG3 GLN A 132 -2.523 1.207 21.972 1.00 0.00 H new ATOM 0 HE21 GLN A 132 -5.035 0.751 21.873 1.00 0.00 H new ATOM 0 HE22 GLN A 132 -6.023 1.868 22.820 1.00 0.00 H new ATOM 2118 N PHE A 133 -0.634 3.451 18.901 1.00 0.00 N ATOM 2119 CA PHE A 133 0.616 3.403 18.098 1.00 0.00 C ATOM 2120 C PHE A 133 0.860 4.771 17.456 1.00 0.00 C ATOM 2121 O PHE A 133 0.026 5.296 16.745 1.00 0.00 O ATOM 2122 CB PHE A 133 0.481 2.333 17.012 1.00 0.00 C ATOM 2123 CG PHE A 133 0.456 0.972 17.663 1.00 0.00 C ATOM 2124 CD1 PHE A 133 -0.703 0.524 18.307 1.00 0.00 C ATOM 2125 CD2 PHE A 133 1.598 0.159 17.631 1.00 0.00 C ATOM 2126 CE1 PHE A 133 -0.723 -0.735 18.921 1.00 0.00 C ATOM 2127 CE2 PHE A 133 1.578 -1.100 18.245 1.00 0.00 C ATOM 2128 CZ PHE A 133 0.418 -1.547 18.888 1.00 0.00 C ATOM 0 H PHE A 133 -1.366 2.802 18.613 1.00 0.00 H new ATOM 0 HA PHE A 133 1.459 3.155 18.743 1.00 0.00 H new ATOM 0 HB2 PHE A 133 -0.432 2.492 16.438 1.00 0.00 H new ATOM 0 HB3 PHE A 133 1.314 2.400 16.312 1.00 0.00 H new ATOM 0 HD1 PHE A 133 -1.583 1.150 18.331 1.00 0.00 H new ATOM 0 HD2 PHE A 133 2.493 0.503 17.133 1.00 0.00 H new ATOM 0 HE1 PHE A 133 -1.617 -1.079 19.419 1.00 0.00 H new ATOM 0 HE2 PHE A 133 2.458 -1.726 18.222 1.00 0.00 H new ATOM 0 HZ PHE A 133 0.403 -2.519 19.359 1.00 0.00 H new ATOM 2138 N LYS A 134 2.001 5.348 17.715 1.00 0.00 N ATOM 2139 CA LYS A 134 2.327 6.685 17.140 1.00 0.00 C ATOM 2140 C LYS A 134 2.253 6.627 15.616 1.00 0.00 C ATOM 2141 O LYS A 134 1.850 7.571 14.963 1.00 0.00 O ATOM 2142 CB LYS A 134 3.744 7.070 17.562 1.00 0.00 C ATOM 2143 CG LYS A 134 4.127 8.415 16.946 1.00 0.00 C ATOM 2144 CD LYS A 134 5.580 8.734 17.304 1.00 0.00 C ATOM 2145 CE LYS A 134 5.945 10.124 16.783 1.00 0.00 C ATOM 2146 NZ LYS A 134 4.985 11.125 17.329 1.00 0.00 N ATOM 0 H LYS A 134 2.729 4.947 18.306 1.00 0.00 H new ATOM 0 HA LYS A 134 1.612 7.423 17.504 1.00 0.00 H new ATOM 0 HB2 LYS A 134 3.805 7.128 18.649 1.00 0.00 H new ATOM 0 HB3 LYS A 134 4.448 6.301 17.244 1.00 0.00 H new ATOM 0 HG2 LYS A 134 4.005 8.381 15.863 1.00 0.00 H new ATOM 0 HG3 LYS A 134 3.467 9.200 17.316 1.00 0.00 H new ATOM 0 HD2 LYS A 134 5.716 8.693 18.385 1.00 0.00 H new ATOM 0 HD3 LYS A 134 6.244 7.986 16.870 1.00 0.00 H new ATOM 0 HE2 LYS A 134 6.962 10.380 17.079 1.00 0.00 H new ATOM 0 HE3 LYS A 134 5.918 10.135 15.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 5.396 12.077 17.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 4.098 11.087 16.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 4.790 10.910 18.328 1.00 0.00 H new ATOM 2160 N GLU A 135 2.653 5.531 15.045 1.00 0.00 N ATOM 2161 CA GLU A 135 2.629 5.401 13.563 1.00 0.00 C ATOM 2162 C GLU A 135 1.228 5.714 13.051 1.00 0.00 C ATOM 2163 O GLU A 135 1.051 6.405 12.069 1.00 0.00 O ATOM 2164 CB GLU A 135 2.962 3.957 13.189 1.00 0.00 C ATOM 2165 CG GLU A 135 4.111 3.463 14.065 1.00 0.00 C ATOM 2166 CD GLU A 135 4.455 2.023 13.689 1.00 0.00 C ATOM 2167 OE1 GLU A 135 5.439 1.515 14.200 1.00 0.00 O ATOM 2168 OE2 GLU A 135 3.726 1.449 12.898 1.00 0.00 O ATOM 0 H GLU A 135 2.999 4.711 15.544 1.00 0.00 H new ATOM 0 HA GLU A 135 3.352 6.089 13.125 1.00 0.00 H new ATOM 0 HB2 GLU A 135 2.086 3.322 13.325 1.00 0.00 H new ATOM 0 HB3 GLU A 135 3.239 3.896 12.137 1.00 0.00 H new ATOM 0 HG2 GLU A 135 4.984 4.103 13.934 1.00 0.00 H new ATOM 0 HG3 GLU A 135 3.830 3.518 15.117 1.00 0.00 H new ATOM 2176 N MET A 136 0.233 5.197 13.711 1.00 0.00 N ATOM 2177 CA MET A 136 -1.162 5.443 13.267 1.00 0.00 C ATOM 2178 C MET A 136 -1.603 6.826 13.725 1.00 0.00 C ATOM 2179 O MET A 136 -2.131 7.603 12.953 1.00 0.00 O ATOM 2180 CB MET A 136 -2.059 4.372 13.872 1.00 0.00 C ATOM 2181 CG MET A 136 -1.464 2.997 13.562 1.00 0.00 C ATOM 2182 SD MET A 136 -1.088 2.879 11.796 1.00 0.00 S ATOM 2183 CE MET A 136 -2.713 3.361 11.163 1.00 0.00 C ATOM 0 H MET A 136 0.327 4.613 14.542 1.00 0.00 H new ATOM 0 HA MET A 136 -1.228 5.400 12.180 1.00 0.00 H new ATOM 0 HB2 MET A 136 -2.141 4.513 14.950 1.00 0.00 H new ATOM 0 HB3 MET A 136 -3.066 4.448 13.463 1.00 0.00 H new ATOM 0 HG2 MET A 136 -0.558 2.842 14.148 1.00 0.00 H new ATOM 0 HG3 MET A 136 -2.166 2.214 13.847 1.00 0.00 H new ATOM 0 HE1 MET A 136 -2.882 2.888 10.196 1.00 0.00 H new ATOM 0 HE2 MET A 136 -3.485 3.041 11.863 1.00 0.00 H new ATOM 0 HE3 MET A 136 -2.752 4.444 11.049 1.00 0.00 H new ATOM 2193 N LYS A 137 -1.370 7.161 14.961 1.00 0.00 N ATOM 2194 CA LYS A 137 -1.760 8.516 15.416 1.00 0.00 C ATOM 2195 C LYS A 137 -1.118 9.496 14.448 1.00 0.00 C ATOM 2196 O LYS A 137 -1.675 10.522 14.121 1.00 0.00 O ATOM 2197 CB LYS A 137 -1.256 8.759 16.841 1.00 0.00 C ATOM 2198 CG LYS A 137 -2.201 8.069 17.831 1.00 0.00 C ATOM 2199 CD LYS A 137 -1.404 7.294 18.883 1.00 0.00 C ATOM 2200 CE LYS A 137 -0.701 8.254 19.844 1.00 0.00 C ATOM 2201 NZ LYS A 137 -0.486 9.569 19.177 1.00 0.00 N ATOM 0 H LYS A 137 -0.934 6.565 15.664 1.00 0.00 H new ATOM 0 HA LYS A 137 -2.843 8.634 15.430 1.00 0.00 H new ATOM 0 HB2 LYS A 137 -0.244 8.370 16.954 1.00 0.00 H new ATOM 0 HB3 LYS A 137 -1.211 9.828 17.047 1.00 0.00 H new ATOM 0 HG2 LYS A 137 -2.832 8.812 18.319 1.00 0.00 H new ATOM 0 HG3 LYS A 137 -2.865 7.390 17.296 1.00 0.00 H new ATOM 0 HD2 LYS A 137 -2.071 6.637 19.441 1.00 0.00 H new ATOM 0 HD3 LYS A 137 -0.667 6.658 18.393 1.00 0.00 H new ATOM 0 HE2 LYS A 137 -1.301 8.386 20.744 1.00 0.00 H new ATOM 0 HE3 LYS A 137 0.255 7.834 20.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 0.095 10.177 19.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 0.002 9.423 18.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 -1.404 10.026 19.006 1.00 0.00 H new ATOM 2215 N ALA A 138 0.044 9.146 13.954 1.00 0.00 N ATOM 2216 CA ALA A 138 0.733 10.011 12.962 1.00 0.00 C ATOM 2217 C ALA A 138 0.038 9.839 11.610 1.00 0.00 C ATOM 2218 O ALA A 138 -0.344 10.798 10.965 1.00 0.00 O ATOM 2219 CB ALA A 138 2.190 9.582 12.833 1.00 0.00 C ATOM 0 H ALA A 138 0.544 8.292 14.200 1.00 0.00 H new ATOM 0 HA ALA A 138 0.693 11.052 13.283 1.00 0.00 H new ATOM 0 HB1 ALA A 138 2.693 10.218 12.105 1.00 0.00 H new ATOM 0 HB2 ALA A 138 2.684 9.676 13.800 1.00 0.00 H new ATOM 0 HB3 ALA A 138 2.236 8.545 12.502 1.00 0.00 H new ATOM 2225 N ALA A 139 -0.146 8.614 11.182 1.00 0.00 N ATOM 2226 CA ALA A 139 -0.833 8.370 9.884 1.00 0.00 C ATOM 2227 C ALA A 139 -2.190 9.058 9.937 1.00 0.00 C ATOM 2228 O ALA A 139 -2.566 9.798 9.049 1.00 0.00 O ATOM 2229 CB ALA A 139 -1.030 6.865 9.692 1.00 0.00 C ATOM 0 H ALA A 139 0.152 7.774 11.679 1.00 0.00 H new ATOM 0 HA ALA A 139 -0.241 8.760 9.056 1.00 0.00 H new ATOM 0 HB1 ALA A 139 -1.533 6.682 8.742 1.00 0.00 H new ATOM 0 HB2 ALA A 139 -0.060 6.368 9.690 1.00 0.00 H new ATOM 0 HB3 ALA A 139 -1.638 6.471 10.506 1.00 0.00 H new ATOM 2235 N LEU A 140 -2.912 8.845 10.999 1.00 0.00 N ATOM 2236 CA LEU A 140 -4.229 9.506 11.154 1.00 0.00 C ATOM 2237 C LEU A 140 -3.978 11.013 11.238 1.00 0.00 C ATOM 2238 O LEU A 140 -4.804 11.822 10.863 1.00 0.00 O ATOM 2239 CB LEU A 140 -4.883 9.019 12.451 1.00 0.00 C ATOM 2240 CG LEU A 140 -5.011 7.491 12.419 1.00 0.00 C ATOM 2241 CD1 LEU A 140 -4.949 6.932 13.842 1.00 0.00 C ATOM 2242 CD2 LEU A 140 -6.351 7.095 11.792 1.00 0.00 C ATOM 0 H LEU A 140 -2.641 8.236 11.771 1.00 0.00 H new ATOM 0 HA LEU A 140 -4.887 9.274 10.317 1.00 0.00 H new ATOM 0 HB2 LEU A 140 -4.286 9.326 13.309 1.00 0.00 H new ATOM 0 HB3 LEU A 140 -5.866 9.474 12.568 1.00 0.00 H new ATOM 0 HG LEU A 140 -4.191 7.084 11.828 1.00 0.00 H new ATOM 0 HD11 LEU A 140 -5.041 5.846 13.811 1.00 0.00 H new ATOM 0 HD12 LEU A 140 -3.997 7.203 14.298 1.00 0.00 H new ATOM 0 HD13 LEU A 140 -5.765 7.348 14.432 1.00 0.00 H new ATOM 0 HD21 LEU A 140 -6.436 6.009 11.772 1.00 0.00 H new ATOM 0 HD22 LEU A 140 -7.167 7.512 12.383 1.00 0.00 H new ATOM 0 HD23 LEU A 140 -6.405 7.482 10.774 1.00 0.00 H new ATOM 2254 N GLN A 141 -2.828 11.382 11.743 1.00 0.00 N ATOM 2255 CA GLN A 141 -2.475 12.824 11.884 1.00 0.00 C ATOM 2256 C GLN A 141 -2.097 13.419 10.530 1.00 0.00 C ATOM 2257 O GLN A 141 -2.617 14.440 10.123 1.00 0.00 O ATOM 2258 CB GLN A 141 -1.268 12.942 12.817 1.00 0.00 C ATOM 2259 CG GLN A 141 -1.704 13.505 14.166 1.00 0.00 C ATOM 2260 CD GLN A 141 -1.793 15.029 14.074 1.00 0.00 C ATOM 2261 OE1 GLN A 141 -2.576 15.573 13.183 1.00 0.00 O flip ATOM 2262 NE2 GLN A 141 -1.132 15.733 14.810 1.00 0.00 N flip ATOM 0 H GLN A 141 -2.110 10.734 12.068 1.00 0.00 H new ATOM 0 HA GLN A 141 -3.335 13.362 12.284 1.00 0.00 H new ATOM 0 HB2 GLN A 141 -0.807 11.964 12.954 1.00 0.00 H new ATOM 0 HB3 GLN A 141 -0.514 13.590 12.370 1.00 0.00 H new ATOM 0 HG2 GLN A 141 -2.671 13.090 14.451 1.00 0.00 H new ATOM 0 HG3 GLN A 141 -0.993 13.217 14.940 1.00 0.00 H new ATOM 0 HE21 GLN A 141 -0.520 15.309 15.507 1.00 0.00 H new ATOM 0 HE22 GLN A 141 -1.189 16.748 14.731 1.00 0.00 H new ATOM 2271 N GLU A 142 -1.185 12.803 9.832 1.00 0.00 N ATOM 2272 CA GLU A 142 -0.771 13.356 8.514 1.00 0.00 C ATOM 2273 C GLU A 142 -1.957 13.313 7.553 1.00 0.00 C ATOM 2274 O GLU A 142 -2.122 14.181 6.719 1.00 0.00 O ATOM 2275 CB GLU A 142 0.390 12.533 7.951 1.00 0.00 C ATOM 2276 CG GLU A 142 1.578 12.598 8.914 1.00 0.00 C ATOM 2277 CD GLU A 142 2.765 11.852 8.307 1.00 0.00 C ATOM 2278 OE1 GLU A 142 2.565 11.167 7.319 1.00 0.00 O ATOM 2279 OE2 GLU A 142 3.857 11.981 8.839 1.00 0.00 O ATOM 0 H GLU A 142 -0.711 11.945 10.115 1.00 0.00 H new ATOM 0 HA GLU A 142 -0.445 14.389 8.637 1.00 0.00 H new ATOM 0 HB2 GLU A 142 0.080 11.498 7.809 1.00 0.00 H new ATOM 0 HB3 GLU A 142 0.680 12.916 6.973 1.00 0.00 H new ATOM 0 HG2 GLU A 142 1.847 13.636 9.107 1.00 0.00 H new ATOM 0 HG3 GLU A 142 1.308 12.155 9.873 1.00 0.00 H new ATOM 2287 N GLY A 143 -2.789 12.315 7.668 1.00 0.00 N ATOM 2288 CA GLY A 143 -3.968 12.229 6.764 1.00 0.00 C ATOM 2289 C GLY A 143 -4.812 13.493 6.926 1.00 0.00 C ATOM 2290 O GLY A 143 -5.137 14.163 5.967 1.00 0.00 O ATOM 0 H GLY A 143 -2.703 11.558 8.347 1.00 0.00 H new ATOM 0 HA2 GLY A 143 -3.642 12.124 5.729 1.00 0.00 H new ATOM 0 HA3 GLY A 143 -4.562 11.347 7.002 1.00 0.00 H new ATOM 2294 N HIS A 144 -5.155 13.834 8.141 1.00 0.00 N ATOM 2295 CA HIS A 144 -5.960 15.066 8.370 1.00 0.00 C ATOM 2296 C HIS A 144 -5.146 16.275 7.911 1.00 0.00 C ATOM 2297 O HIS A 144 -5.652 17.178 7.274 1.00 0.00 O ATOM 2298 CB HIS A 144 -6.276 15.197 9.862 1.00 0.00 C ATOM 2299 CG HIS A 144 -7.073 16.449 10.103 1.00 0.00 C ATOM 2300 ND1 HIS A 144 -7.995 17.114 9.333 1.00 0.00 N flip ATOM 2301 CD2 HIS A 144 -6.966 17.179 11.281 1.00 0.00 C flip ATOM 2302 CE1 HIS A 144 -8.450 18.234 10.019 1.00 0.00 C flip ATOM 2303 NE2 HIS A 144 -7.801 18.229 11.185 1.00 0.00 N flip ATOM 0 H HIS A 144 -4.912 13.312 8.983 1.00 0.00 H new ATOM 0 HA HIS A 144 -6.893 15.013 7.809 1.00 0.00 H new ATOM 0 HB2 HIS A 144 -6.836 14.326 10.203 1.00 0.00 H new ATOM 0 HB3 HIS A 144 -5.351 15.226 10.438 1.00 0.00 H new ATOM 0 HD2 HIS A 144 -6.328 16.946 12.121 1.00 0.00 H new ATOM 0 HE1 HIS A 144 -9.177 18.957 9.679 1.00 0.00 H new ATOM 0 HE2 HIS A 144 -7.923 18.933 11.913 1.00 0.00 H new ATOM 2312 N GLN A 145 -3.885 16.294 8.236 1.00 0.00 N ATOM 2313 CA GLN A 145 -3.015 17.433 7.833 1.00 0.00 C ATOM 2314 C GLN A 145 -3.022 17.589 6.310 1.00 0.00 C ATOM 2315 O GLN A 145 -3.133 18.682 5.787 1.00 0.00 O ATOM 2316 CB GLN A 145 -1.585 17.144 8.293 1.00 0.00 C ATOM 2317 CG GLN A 145 -0.704 18.368 8.040 1.00 0.00 C ATOM 2318 CD GLN A 145 -1.053 19.462 9.048 1.00 0.00 C ATOM 2319 OE1 GLN A 145 -1.102 19.218 10.238 1.00 0.00 O ATOM 2320 NE2 GLN A 145 -1.298 20.672 8.621 1.00 0.00 N ATOM 0 H GLN A 145 -3.415 15.562 8.769 1.00 0.00 H new ATOM 0 HA GLN A 145 -3.387 18.350 8.289 1.00 0.00 H new ATOM 0 HB2 GLN A 145 -1.578 16.892 9.353 1.00 0.00 H new ATOM 0 HB3 GLN A 145 -1.188 16.281 7.758 1.00 0.00 H new ATOM 0 HG2 GLN A 145 0.348 18.097 8.130 1.00 0.00 H new ATOM 0 HG3 GLN A 145 -0.853 18.733 7.024 1.00 0.00 H new ATOM 0 HE21 GLN A 145 -1.257 20.879 7.623 1.00 0.00 H new ATOM 0 HE22 GLN A 145 -1.530 21.410 9.286 1.00 0.00 H new ATOM 2329 N PHE A 146 -2.887 16.506 5.597 1.00 0.00 N ATOM 2330 CA PHE A 146 -2.863 16.583 4.108 1.00 0.00 C ATOM 2331 C PHE A 146 -4.254 16.883 3.544 1.00 0.00 C ATOM 2332 O PHE A 146 -4.425 17.779 2.741 1.00 0.00 O ATOM 2333 CB PHE A 146 -2.372 15.254 3.545 1.00 0.00 C ATOM 2334 CG PHE A 146 -2.342 15.336 2.040 1.00 0.00 C ATOM 2335 CD1 PHE A 146 -3.522 15.161 1.311 1.00 0.00 C ATOM 2336 CD2 PHE A 146 -1.137 15.586 1.373 1.00 0.00 C ATOM 2337 CE1 PHE A 146 -3.503 15.241 -0.084 1.00 0.00 C ATOM 2338 CE2 PHE A 146 -1.117 15.663 -0.026 1.00 0.00 C ATOM 2339 CZ PHE A 146 -2.301 15.489 -0.754 1.00 0.00 C ATOM 0 H PHE A 146 -2.792 15.566 5.982 1.00 0.00 H new ATOM 0 HA PHE A 146 -2.193 17.392 3.818 1.00 0.00 H new ATOM 0 HB2 PHE A 146 -1.377 15.028 3.929 1.00 0.00 H new ATOM 0 HB3 PHE A 146 -3.029 14.445 3.864 1.00 0.00 H new ATOM 0 HD1 PHE A 146 -4.450 14.964 1.827 1.00 0.00 H new ATOM 0 HD2 PHE A 146 -0.225 15.719 1.935 1.00 0.00 H new ATOM 0 HE1 PHE A 146 -4.417 15.111 -0.645 1.00 0.00 H new ATOM 0 HE2 PHE A 146 -0.189 15.857 -0.543 1.00 0.00 H new ATOM 0 HZ PHE A 146 -2.285 15.546 -1.832 1.00 0.00 H new ATOM 2349 N LEU A 147 -5.252 16.143 3.938 1.00 0.00 N ATOM 2350 CA LEU A 147 -6.613 16.401 3.392 1.00 0.00 C ATOM 2351 C LEU A 147 -6.981 17.867 3.609 1.00 0.00 C ATOM 2352 O LEU A 147 -7.682 18.464 2.817 1.00 0.00 O ATOM 2353 CB LEU A 147 -7.629 15.489 4.080 1.00 0.00 C ATOM 2354 CG LEU A 147 -7.318 14.036 3.724 1.00 0.00 C ATOM 2355 CD1 LEU A 147 -8.336 13.113 4.387 1.00 0.00 C ATOM 2356 CD2 LEU A 147 -7.399 13.852 2.206 1.00 0.00 C ATOM 0 H LEU A 147 -5.186 15.377 4.609 1.00 0.00 H new ATOM 0 HA LEU A 147 -6.622 16.189 2.323 1.00 0.00 H new ATOM 0 HB2 LEU A 147 -7.588 15.628 5.160 1.00 0.00 H new ATOM 0 HB3 LEU A 147 -8.640 15.746 3.763 1.00 0.00 H new ATOM 0 HG LEU A 147 -6.316 13.791 4.075 1.00 0.00 H new ATOM 0 HD11 LEU A 147 -8.110 12.078 4.130 1.00 0.00 H new ATOM 0 HD12 LEU A 147 -8.289 13.237 5.469 1.00 0.00 H new ATOM 0 HD13 LEU A 147 -9.337 13.364 4.036 1.00 0.00 H new ATOM 0 HD21 LEU A 147 -7.177 12.815 1.953 1.00 0.00 H new ATOM 0 HD22 LEU A 147 -8.403 14.103 1.862 1.00 0.00 H new ATOM 0 HD23 LEU A 147 -6.675 14.507 1.721 1.00 0.00 H new ATOM 2368 N CYS A 148 -6.498 18.461 4.659 1.00 0.00 N ATOM 2369 CA CYS A 148 -6.804 19.896 4.898 1.00 0.00 C ATOM 2370 C CYS A 148 -5.955 20.737 3.942 1.00 0.00 C ATOM 2371 O CYS A 148 -6.200 21.908 3.736 1.00 0.00 O ATOM 2372 CB CYS A 148 -6.468 20.260 6.345 1.00 0.00 C ATOM 2373 SG CYS A 148 -7.599 19.396 7.466 1.00 0.00 S ATOM 0 H CYS A 148 -5.906 18.018 5.361 1.00 0.00 H new ATOM 0 HA CYS A 148 -7.863 20.088 4.724 1.00 0.00 H new ATOM 0 HB2 CYS A 148 -5.437 19.986 6.570 1.00 0.00 H new ATOM 0 HB3 CYS A 148 -6.550 21.337 6.488 1.00 0.00 H new ATOM 0 HG CYS A 148 -7.070 18.265 7.830 1.00 0.00 H new ATOM 2379 N SER A 149 -4.945 20.137 3.363 1.00 0.00 N ATOM 2380 CA SER A 149 -4.055 20.884 2.427 1.00 0.00 C ATOM 2381 C SER A 149 -4.625 20.862 1.006 1.00 0.00 C ATOM 2382 O SER A 149 -4.072 21.461 0.104 1.00 0.00 O ATOM 2383 CB SER A 149 -2.679 20.226 2.411 1.00 0.00 C ATOM 2384 OG SER A 149 -2.037 20.436 3.661 1.00 0.00 O ATOM 0 H SER A 149 -4.699 19.157 3.500 1.00 0.00 H new ATOM 0 HA SER A 149 -3.982 21.917 2.767 1.00 0.00 H new ATOM 0 HB2 SER A 149 -2.777 19.158 2.216 1.00 0.00 H new ATOM 0 HB3 SER A 149 -2.075 20.643 1.605 1.00 0.00 H new ATOM 0 HG SER A 149 -2.428 19.841 4.334 1.00 0.00 H new ATOM 2390 N ILE A 150 -5.706 20.172 0.781 1.00 0.00 N ATOM 2391 CA ILE A 150 -6.265 20.119 -0.595 1.00 0.00 C ATOM 2392 C ILE A 150 -7.220 21.290 -0.812 1.00 0.00 C ATOM 2393 O ILE A 150 -6.911 22.428 -0.518 1.00 0.00 O ATOM 2394 CB ILE A 150 -7.027 18.805 -0.798 1.00 0.00 C ATOM 2395 CG1 ILE A 150 -6.386 17.692 0.030 1.00 0.00 C ATOM 2396 CG2 ILE A 150 -6.976 18.420 -2.275 1.00 0.00 C ATOM 2397 CD1 ILE A 150 -7.258 16.436 -0.060 1.00 0.00 C ATOM 0 H ILE A 150 -6.223 19.646 1.485 1.00 0.00 H new ATOM 0 HA ILE A 150 -5.445 20.179 -1.310 1.00 0.00 H new ATOM 0 HB ILE A 150 -8.061 18.939 -0.479 1.00 0.00 H new ATOM 0 HG12 ILE A 150 -5.382 17.480 -0.338 1.00 0.00 H new ATOM 0 HG13 ILE A 150 -6.285 18.006 1.069 1.00 0.00 H new ATOM 0 HG21 ILE A 150 -7.516 17.486 -2.426 1.00 0.00 H new ATOM 0 HG22 ILE A 150 -7.437 19.207 -2.872 1.00 0.00 H new ATOM 0 HG23 ILE A 150 -5.938 18.293 -2.582 1.00 0.00 H new ATOM 0 HD11 ILE A 150 -6.807 15.637 0.528 1.00 0.00 H new ATOM 0 HD12 ILE A 150 -8.253 16.655 0.328 1.00 0.00 H new ATOM 0 HD13 ILE A 150 -7.336 16.121 -1.101 1.00 0.00 H new