USER MOD reduce.3.24.130724 H: found=0, std=0, add=327, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 326 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 Single : A 917 THR OG1 : rot 34:sc= 0.067 USER MOD Single : A 921 MET CE :methyl 157:sc= -0.583 (180deg=-1.18) USER MOD Single : A 923 HIS : no HD1:sc= -0.828 X(o=-0.83,f=-0.35) USER MOD Single : A 927 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 930 CYS SG : rot 87:sc= 0.268 USER MOD Single : A 933 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 935 ASN : amide:sc= -5.55! C(o=-5.5!,f=-9.6!) USER MOD Single : A 940 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 941 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 942 HIS : no HE2:sc= -5.28! C(o=-5.3!,f=-7.2!) USER MOD Single : A 943 ASN : amide:sc= -0.28 X(o=-0.28,f=-0.28) USER MOD Single : A 944 TYR OH : rot 180:sc= 0 USER MOD Single : A 945 ASN :FLIP amide:sc= -0.0541 F(o=-0.8,f=-0.054) USER MOD Single : A 948 GLN : amide:sc= -0.247 K(o=-0.25,f=-1.1) USER MOD Single : A 951 THR OG1 : rot 84:sc= 0.92 USER MOD ----------------------------------------------------------------- ATOM 114 N THR A 917 7.510 1.021 -19.835 1.00 60.24 N ATOM 115 CA THR A 917 8.203 0.243 -20.855 1.00 11.21 C ATOM 116 C THR A 917 8.739 1.143 -21.962 1.00 64.14 C ATOM 117 O THR A 917 9.820 0.903 -22.501 1.00 54.20 O ATOM 118 CB THR A 917 7.277 -0.820 -21.476 1.00 65.00 C ATOM 119 OG1 THR A 917 6.799 -1.708 -20.459 1.00 43.41 O ATOM 120 CG2 THR A 917 8.009 -1.615 -22.547 1.00 51.12 C ATOM 0 HA THR A 917 9.036 -0.256 -20.361 1.00 11.21 H new ATOM 0 HB THR A 917 6.432 -0.309 -21.938 1.00 65.00 H new ATOM 0 HG1 THR A 917 6.680 -1.213 -19.622 1.00 43.41 H new ATOM 0 HG21 THR A 917 7.336 -2.360 -22.971 1.00 51.12 H new ATOM 0 HG22 THR A 917 8.346 -0.940 -23.334 1.00 51.12 H new ATOM 0 HG23 THR A 917 8.870 -2.115 -22.104 1.00 51.12 H new ATOM 128 N ALA A 918 7.978 2.180 -22.297 1.00 62.41 N ATOM 129 CA ALA A 918 8.379 3.117 -23.339 1.00 22.11 C ATOM 130 C ALA A 918 9.741 3.730 -23.031 1.00 63.24 C ATOM 131 O ALA A 918 10.531 3.996 -23.937 1.00 24.55 O ATOM 132 CB ALA A 918 7.331 4.208 -23.499 1.00 2.33 C ATOM 0 H ALA A 918 7.080 2.392 -21.862 1.00 62.41 H new ATOM 0 HA ALA A 918 8.461 2.567 -24.276 1.00 22.11 H new ATOM 0 HB1 ALA A 918 7.643 4.901 -24.280 1.00 2.33 H new ATOM 0 HB2 ALA A 918 6.377 3.758 -23.773 1.00 2.33 H new ATOM 0 HB3 ALA A 918 7.221 4.748 -22.558 1.00 2.33 H new ATOM 138 N ALA A 919 10.009 3.952 -21.749 1.00 11.23 N ATOM 139 CA ALA A 919 11.276 4.533 -21.322 1.00 61.33 C ATOM 140 C ALA A 919 12.411 3.521 -21.441 1.00 31.01 C ATOM 141 O ALA A 919 13.533 3.872 -21.808 1.00 24.35 O ATOM 142 CB ALA A 919 11.169 5.043 -19.893 1.00 35.31 C ATOM 0 H ALA A 919 9.365 3.738 -20.987 1.00 11.23 H new ATOM 0 HA ALA A 919 11.502 5.373 -21.979 1.00 61.33 H new ATOM 0 HB1 ALA A 919 12.123 5.474 -19.588 1.00 35.31 H new ATOM 0 HB2 ALA A 919 10.392 5.805 -19.836 1.00 35.31 H new ATOM 0 HB3 ALA A 919 10.916 4.216 -19.230 1.00 35.31 H new ATOM 148 N LEU A 920 12.112 2.265 -21.128 1.00 63.13 N ATOM 149 CA LEU A 920 13.108 1.201 -21.199 1.00 43.33 C ATOM 150 C LEU A 920 13.450 0.871 -22.649 1.00 33.13 C ATOM 151 O LEU A 920 14.584 0.513 -22.963 1.00 44.43 O ATOM 152 CB LEU A 920 12.597 -0.051 -20.485 1.00 63.34 C ATOM 153 CG LEU A 920 11.888 0.179 -19.151 1.00 11.24 C ATOM 154 CD1 LEU A 920 11.418 -1.142 -18.561 1.00 0.52 C ATOM 155 CD2 LEU A 920 12.806 0.904 -18.177 1.00 31.32 C ATOM 0 H LEU A 920 11.188 1.958 -20.823 1.00 63.13 H new ATOM 0 HA LEU A 920 14.013 1.550 -20.703 1.00 43.33 H new ATOM 0 HB2 LEU A 920 11.911 -0.571 -21.153 1.00 63.34 H new ATOM 0 HB3 LEU A 920 13.442 -0.718 -20.314 1.00 63.34 H new ATOM 0 HG LEU A 920 11.014 0.805 -19.329 1.00 11.24 H new ATOM 0 HD11 LEU A 920 10.916 -0.958 -17.611 1.00 0.52 H new ATOM 0 HD12 LEU A 920 10.725 -1.623 -19.251 1.00 0.52 H new ATOM 0 HD13 LEU A 920 12.277 -1.793 -18.397 1.00 0.52 H new ATOM 0 HD21 LEU A 920 12.285 1.059 -17.233 1.00 31.32 H new ATOM 0 HD22 LEU A 920 13.699 0.304 -18.004 1.00 31.32 H new ATOM 0 HD23 LEU A 920 13.092 1.869 -18.596 1.00 31.32 H new ATOM 167 N MET A 921 12.460 0.995 -23.527 1.00 43.13 N ATOM 168 CA MET A 921 12.657 0.713 -24.944 1.00 64.24 C ATOM 169 C MET A 921 13.679 1.668 -25.552 1.00 42.42 C ATOM 170 O MET A 921 14.432 1.296 -26.451 1.00 45.44 O ATOM 171 CB MET A 921 11.330 0.821 -25.697 1.00 71.13 C ATOM 172 CG MET A 921 10.427 -0.388 -25.514 1.00 62.31 C ATOM 173 SD MET A 921 9.346 -0.669 -26.929 1.00 51.45 S ATOM 174 CE MET A 921 9.106 -2.441 -26.827 1.00 1.43 C ATOM 0 H MET A 921 11.514 1.289 -23.282 1.00 43.13 H new ATOM 0 HA MET A 921 13.037 -0.304 -25.036 1.00 64.24 H new ATOM 0 HB2 MET A 921 10.802 1.713 -25.360 1.00 71.13 H new ATOM 0 HB3 MET A 921 11.534 0.954 -26.759 1.00 71.13 H new ATOM 0 HG2 MET A 921 11.041 -1.273 -25.350 1.00 62.31 H new ATOM 0 HG3 MET A 921 9.820 -0.251 -24.619 1.00 62.31 H new ATOM 0 HE1 MET A 921 8.183 -2.713 -27.339 1.00 1.43 H new ATOM 0 HE2 MET A 921 9.946 -2.950 -27.299 1.00 1.43 H new ATOM 0 HE3 MET A 921 9.042 -2.740 -25.781 1.00 1.43 H new ATOM 184 N ALA A 922 13.699 2.901 -25.055 1.00 71.14 N ATOM 185 CA ALA A 922 14.629 3.909 -25.549 1.00 24.44 C ATOM 186 C ALA A 922 16.055 3.604 -25.102 1.00 44.25 C ATOM 187 O ALA A 922 17.019 3.966 -25.779 1.00 31.01 O ATOM 188 CB ALA A 922 14.210 5.292 -25.074 1.00 33.12 C ATOM 0 H ALA A 922 13.082 3.225 -24.311 1.00 71.14 H new ATOM 0 HA ALA A 922 14.604 3.889 -26.639 1.00 24.44 H new ATOM 0 HB1 ALA A 922 14.914 6.035 -25.450 1.00 33.12 H new ATOM 0 HB2 ALA A 922 13.211 5.517 -25.446 1.00 33.12 H new ATOM 0 HB3 ALA A 922 14.205 5.316 -23.984 1.00 33.12 H new ATOM 194 N HIS A 923 16.184 2.938 -23.960 1.00 34.35 N ATOM 195 CA HIS A 923 17.493 2.585 -23.423 1.00 22.20 C ATOM 196 C HIS A 923 18.255 1.688 -24.395 1.00 34.05 C ATOM 197 O HIS A 923 19.474 1.796 -24.530 1.00 2.02 O ATOM 198 CB HIS A 923 17.342 1.882 -22.073 1.00 44.14 C ATOM 199 CG HIS A 923 16.768 2.758 -21.003 1.00 0.10 C ATOM 200 ND1 HIS A 923 16.665 4.128 -21.126 1.00 72.41 N ATOM 201 CD2 HIS A 923 16.263 2.452 -19.785 1.00 54.11 C ATOM 202 CE1 HIS A 923 16.122 4.626 -20.030 1.00 4.44 C ATOM 203 NE2 HIS A 923 15.868 3.630 -19.200 1.00 44.31 N ATOM 0 H HIS A 923 15.397 2.631 -23.388 1.00 34.35 H new ATOM 0 HA HIS A 923 18.061 3.505 -23.283 1.00 22.20 H new ATOM 0 HB2 HIS A 923 16.703 1.008 -22.197 1.00 44.14 H new ATOM 0 HB3 HIS A 923 18.318 1.520 -21.750 1.00 44.14 H new ATOM 0 HD2 HIS A 923 16.185 1.465 -19.353 1.00 54.11 H new ATOM 0 HE1 HIS A 923 15.920 5.670 -19.844 1.00 4.44 H new ATOM 0 HE2 HIS A 923 15.447 3.721 -18.275 1.00 44.31 H new ATOM 211 N LEU A 924 17.528 0.803 -25.068 1.00 23.20 N ATOM 212 CA LEU A 924 18.135 -0.114 -26.027 1.00 3.20 C ATOM 213 C LEU A 924 18.441 0.597 -27.341 1.00 43.23 C ATOM 214 O LEU A 924 19.521 0.434 -27.911 1.00 14.22 O ATOM 215 CB LEU A 924 17.209 -1.304 -26.281 1.00 73.05 C ATOM 216 CG LEU A 924 16.667 -2.011 -25.038 1.00 52.44 C ATOM 217 CD1 LEU A 924 15.176 -1.752 -24.885 1.00 0.23 C ATOM 218 CD2 LEU A 924 16.946 -3.505 -25.110 1.00 1.31 C ATOM 0 H LEU A 924 16.518 0.701 -24.968 1.00 23.20 H new ATOM 0 HA LEU A 924 19.072 -0.475 -25.604 1.00 3.20 H new ATOM 0 HB2 LEU A 924 16.363 -0.960 -26.876 1.00 73.05 H new ATOM 0 HB3 LEU A 924 17.747 -2.035 -26.884 1.00 73.05 H new ATOM 0 HG LEU A 924 17.177 -1.608 -24.163 1.00 52.44 H new ATOM 0 HD11 LEU A 924 14.807 -2.263 -23.995 1.00 0.23 H new ATOM 0 HD12 LEU A 924 15.001 -0.681 -24.787 1.00 0.23 H new ATOM 0 HD13 LEU A 924 14.650 -2.127 -25.763 1.00 0.23 H new ATOM 0 HD21 LEU A 924 16.553 -3.992 -24.217 1.00 1.31 H new ATOM 0 HD22 LEU A 924 16.463 -3.923 -25.993 1.00 1.31 H new ATOM 0 HD23 LEU A 924 18.021 -3.672 -25.171 1.00 1.31 H new ATOM 230 N PHE A 925 17.485 1.388 -27.817 1.00 0.13 N ATOM 231 CA PHE A 925 17.653 2.126 -29.064 1.00 35.45 C ATOM 232 C PHE A 925 18.896 3.008 -29.011 1.00 2.15 C ATOM 233 O PHE A 925 19.507 3.299 -30.038 1.00 52.43 O ATOM 234 CB PHE A 925 16.417 2.983 -29.344 1.00 14.04 C ATOM 235 CG PHE A 925 15.137 2.197 -29.376 1.00 12.42 C ATOM 236 CD1 PHE A 925 15.114 0.905 -29.876 1.00 11.43 C ATOM 237 CD2 PHE A 925 13.957 2.751 -28.907 1.00 15.33 C ATOM 238 CE1 PHE A 925 13.938 0.180 -29.906 1.00 70.45 C ATOM 239 CE2 PHE A 925 12.778 2.030 -28.934 1.00 52.25 C ATOM 240 CZ PHE A 925 12.768 0.743 -29.436 1.00 42.31 C ATOM 0 H PHE A 925 16.586 1.535 -27.358 1.00 0.13 H new ATOM 0 HA PHE A 925 17.776 1.404 -29.871 1.00 35.45 H new ATOM 0 HB2 PHE A 925 16.340 3.756 -28.580 1.00 14.04 H new ATOM 0 HB3 PHE A 925 16.546 3.491 -30.300 1.00 14.04 H new ATOM 0 HD1 PHE A 925 16.025 0.460 -30.246 1.00 11.43 H new ATOM 0 HD2 PHE A 925 13.958 3.758 -28.516 1.00 15.33 H new ATOM 0 HE1 PHE A 925 13.934 -0.827 -30.297 1.00 70.45 H new ATOM 0 HE2 PHE A 925 11.865 2.472 -28.563 1.00 52.25 H new ATOM 0 HZ PHE A 925 11.848 0.179 -29.461 1.00 42.31 H new ATOM 250 N GLU A 926 19.264 3.430 -27.805 1.00 1.32 N ATOM 251 CA GLU A 926 20.434 4.281 -27.618 1.00 32.30 C ATOM 252 C GLU A 926 21.714 3.533 -27.981 1.00 34.13 C ATOM 253 O GLU A 926 22.743 4.145 -28.263 1.00 24.30 O ATOM 254 CB GLU A 926 20.509 4.771 -26.171 1.00 5.14 C ATOM 255 CG GLU A 926 19.726 6.048 -25.919 1.00 14.22 C ATOM 256 CD GLU A 926 20.413 7.276 -26.484 1.00 63.32 C ATOM 257 OE1 GLU A 926 21.435 7.701 -25.906 1.00 42.51 O ATOM 258 OE2 GLU A 926 19.930 7.811 -27.504 1.00 31.43 O ATOM 0 H GLU A 926 18.770 3.197 -26.944 1.00 1.32 H new ATOM 0 HA GLU A 926 20.336 5.141 -28.280 1.00 32.30 H new ATOM 0 HB2 GLU A 926 20.133 3.989 -25.512 1.00 5.14 H new ATOM 0 HB3 GLU A 926 21.553 4.937 -25.906 1.00 5.14 H new ATOM 0 HG2 GLU A 926 18.735 5.955 -26.362 1.00 14.22 H new ATOM 0 HG3 GLU A 926 19.585 6.177 -24.846 1.00 14.22 H new ATOM 265 N MET A 927 21.640 2.206 -27.970 1.00 51.01 N ATOM 266 CA MET A 927 22.792 1.374 -28.298 1.00 51.34 C ATOM 267 C MET A 927 22.875 1.130 -29.802 1.00 30.32 C ATOM 268 O MET A 927 23.961 1.121 -30.380 1.00 31.52 O ATOM 269 CB MET A 927 22.712 0.039 -27.556 1.00 71.13 C ATOM 270 CG MET A 927 22.620 0.187 -26.046 1.00 43.42 C ATOM 271 SD MET A 927 24.200 0.622 -25.294 1.00 3.01 S ATOM 272 CE MET A 927 23.667 1.767 -24.024 1.00 40.21 C ATOM 0 H MET A 927 20.795 1.684 -27.738 1.00 51.01 H new ATOM 0 HA MET A 927 23.692 1.902 -27.983 1.00 51.34 H new ATOM 0 HB2 MET A 927 21.843 -0.514 -27.912 1.00 71.13 H new ATOM 0 HB3 MET A 927 23.591 -0.557 -27.801 1.00 71.13 H new ATOM 0 HG2 MET A 927 21.884 0.953 -25.804 1.00 43.42 H new ATOM 0 HG3 MET A 927 22.261 -0.747 -25.614 1.00 43.42 H new ATOM 0 HE1 MET A 927 24.535 2.125 -23.470 1.00 40.21 H new ATOM 0 HE2 MET A 927 23.157 2.612 -24.487 1.00 40.21 H new ATOM 0 HE3 MET A 927 22.984 1.261 -23.341 1.00 40.21 H new ATOM 282 N GLY A 928 21.720 0.931 -30.430 1.00 13.34 N ATOM 283 CA GLY A 928 21.685 0.689 -31.860 1.00 31.20 C ATOM 284 C GLY A 928 20.940 -0.583 -32.214 1.00 40.14 C ATOM 285 O GLY A 928 20.923 -0.998 -33.373 1.00 74.33 O ATOM 0 H GLY A 928 20.808 0.933 -29.973 1.00 13.34 H new ATOM 0 HA2 GLY A 928 21.210 1.535 -32.357 1.00 31.20 H new ATOM 0 HA3 GLY A 928 22.705 0.627 -32.240 1.00 31.20 H new ATOM 289 N PHE A 929 20.324 -1.204 -31.214 1.00 60.32 N ATOM 290 CA PHE A 929 19.576 -2.438 -31.426 1.00 22.33 C ATOM 291 C PHE A 929 18.493 -2.243 -32.482 1.00 74.32 C ATOM 292 O PHE A 929 18.502 -2.899 -33.525 1.00 32.35 O ATOM 293 CB PHE A 929 18.946 -2.909 -30.113 1.00 51.23 C ATOM 294 CG PHE A 929 19.948 -3.407 -29.112 1.00 22.42 C ATOM 295 CD1 PHE A 929 20.699 -4.543 -29.370 1.00 1.00 C ATOM 296 CD2 PHE A 929 20.140 -2.740 -27.913 1.00 31.43 C ATOM 297 CE1 PHE A 929 21.621 -5.004 -28.450 1.00 23.22 C ATOM 298 CE2 PHE A 929 21.061 -3.197 -26.989 1.00 1.22 C ATOM 299 CZ PHE A 929 21.803 -4.330 -27.258 1.00 45.33 C ATOM 0 H PHE A 929 20.328 -0.873 -30.249 1.00 60.32 H new ATOM 0 HA PHE A 929 20.271 -3.199 -31.781 1.00 22.33 H new ATOM 0 HB2 PHE A 929 18.384 -2.085 -29.673 1.00 51.23 H new ATOM 0 HB3 PHE A 929 18.232 -3.704 -30.327 1.00 51.23 H new ATOM 0 HD1 PHE A 929 20.562 -5.074 -30.301 1.00 1.00 H new ATOM 0 HD2 PHE A 929 19.563 -1.853 -27.698 1.00 31.43 H new ATOM 0 HE1 PHE A 929 22.199 -5.891 -28.663 1.00 23.22 H new ATOM 0 HE2 PHE A 929 21.200 -2.668 -26.058 1.00 1.22 H new ATOM 0 HZ PHE A 929 22.524 -4.688 -26.538 1.00 45.33 H new ATOM 309 N CYS A 930 17.561 -1.338 -32.205 1.00 32.21 N ATOM 310 CA CYS A 930 16.469 -1.057 -33.130 1.00 53.01 C ATOM 311 C CYS A 930 15.595 -2.291 -33.331 1.00 63.05 C ATOM 312 O CYS A 930 15.384 -2.737 -34.459 1.00 53.24 O ATOM 313 CB CYS A 930 17.021 -0.583 -34.475 1.00 64.42 C ATOM 314 SG CYS A 930 18.237 0.749 -34.346 1.00 12.00 S ATOM 0 H CYS A 930 17.540 -0.786 -31.347 1.00 32.21 H new ATOM 0 HA CYS A 930 15.855 -0.266 -32.699 1.00 53.01 H new ATOM 0 HB2 CYS A 930 17.479 -1.430 -34.987 1.00 64.42 H new ATOM 0 HB3 CYS A 930 16.192 -0.245 -35.097 1.00 64.42 H new ATOM 0 HG CYS A 930 19.421 0.240 -34.176 1.00 12.00 H new ATOM 320 N ASP A 931 15.092 -2.839 -32.231 1.00 23.11 N ATOM 321 CA ASP A 931 14.242 -4.023 -32.286 1.00 40.41 C ATOM 322 C ASP A 931 13.136 -3.947 -31.238 1.00 1.40 C ATOM 323 O ASP A 931 13.228 -4.567 -30.178 1.00 40.54 O ATOM 324 CB ASP A 931 15.077 -5.287 -32.074 1.00 54.31 C ATOM 325 CG ASP A 931 16.193 -5.421 -33.091 1.00 52.22 C ATOM 326 OD1 ASP A 931 15.904 -5.337 -34.303 1.00 32.10 O ATOM 327 OD2 ASP A 931 17.355 -5.610 -32.675 1.00 62.44 O ATOM 0 H ASP A 931 15.258 -2.482 -31.290 1.00 23.11 H new ATOM 0 HA ASP A 931 13.781 -4.063 -33.273 1.00 40.41 H new ATOM 0 HB2 ASP A 931 15.503 -5.273 -31.071 1.00 54.31 H new ATOM 0 HB3 ASP A 931 14.429 -6.161 -32.133 1.00 54.31 H new ATOM 332 N ARG A 932 12.092 -3.182 -31.541 1.00 43.20 N ATOM 333 CA ARG A 932 10.970 -3.023 -30.624 1.00 51.12 C ATOM 334 C ARG A 932 10.333 -4.372 -30.306 1.00 75.20 C ATOM 335 O ARG A 932 9.765 -4.563 -29.231 1.00 3.44 O ATOM 336 CB ARG A 932 9.924 -2.081 -31.223 1.00 72.25 C ATOM 337 CG ARG A 932 9.132 -2.698 -32.365 1.00 41.21 C ATOM 338 CD ARG A 932 7.836 -3.322 -31.871 1.00 65.12 C ATOM 339 NE ARG A 932 6.738 -2.360 -31.853 1.00 34.31 N ATOM 340 CZ ARG A 932 5.504 -2.662 -31.464 1.00 13.41 C ATOM 341 NH1 ARG A 932 5.213 -3.891 -31.063 1.00 22.44 N ATOM 342 NH2 ARG A 932 4.558 -1.731 -31.475 1.00 75.43 N ATOM 0 H ARG A 932 12.000 -2.663 -32.414 1.00 43.20 H new ATOM 0 HA ARG A 932 11.349 -2.592 -29.697 1.00 51.12 H new ATOM 0 HB2 ARG A 932 9.233 -1.772 -30.438 1.00 72.25 H new ATOM 0 HB3 ARG A 932 10.422 -1.180 -31.582 1.00 72.25 H new ATOM 0 HG2 ARG A 932 8.908 -1.933 -33.109 1.00 41.21 H new ATOM 0 HG3 ARG A 932 9.737 -3.457 -32.860 1.00 41.21 H new ATOM 0 HD2 ARG A 932 7.571 -4.163 -32.512 1.00 65.12 H new ATOM 0 HD3 ARG A 932 7.985 -3.721 -30.868 1.00 65.12 H new ATOM 0 HE ARG A 932 6.928 -1.405 -32.155 1.00 34.31 H new ATOM 0 HH11 ARG A 932 5.937 -4.609 -31.052 1.00 22.44 H new ATOM 0 HH12 ARG A 932 4.265 -4.119 -30.765 1.00 22.44 H new ATOM 0 HH21 ARG A 932 4.778 -0.784 -31.782 1.00 75.43 H new ATOM 0 HH22 ARG A 932 3.611 -1.963 -31.176 1.00 75.43 H new ATOM 356 N GLN A 933 10.430 -5.304 -31.249 1.00 1.02 N ATOM 357 CA GLN A 933 9.862 -6.635 -31.069 1.00 12.34 C ATOM 358 C GLN A 933 10.666 -7.437 -30.051 1.00 63.02 C ATOM 359 O GLN A 933 10.102 -8.078 -29.164 1.00 34.20 O ATOM 360 CB GLN A 933 9.819 -7.379 -32.404 1.00 63.12 C ATOM 361 CG GLN A 933 8.841 -6.782 -33.403 1.00 10.22 C ATOM 362 CD GLN A 933 7.812 -7.786 -33.884 1.00 65.13 C ATOM 363 OE1 GLN A 933 6.764 -7.964 -33.264 1.00 55.33 O ATOM 364 NE2 GLN A 933 8.108 -8.450 -34.996 1.00 11.31 N ATOM 0 H GLN A 933 10.896 -5.162 -32.145 1.00 1.02 H new ATOM 0 HA GLN A 933 8.845 -6.521 -30.693 1.00 12.34 H new ATOM 0 HB2 GLN A 933 10.817 -7.380 -32.842 1.00 63.12 H new ATOM 0 HB3 GLN A 933 9.550 -8.419 -32.222 1.00 63.12 H new ATOM 0 HG2 GLN A 933 8.330 -5.936 -32.944 1.00 10.22 H new ATOM 0 HG3 GLN A 933 9.393 -6.395 -34.259 1.00 10.22 H new ATOM 0 HE21 GLN A 933 8.989 -8.271 -35.478 1.00 11.31 H new ATOM 0 HE22 GLN A 933 7.454 -9.139 -35.368 1.00 11.31 H new ATOM 373 N LEU A 934 11.987 -7.398 -30.185 1.00 43.44 N ATOM 374 CA LEU A 934 12.870 -8.122 -29.278 1.00 5.54 C ATOM 375 C LEU A 934 12.718 -7.612 -27.848 1.00 45.31 C ATOM 376 O LEU A 934 12.489 -8.389 -26.923 1.00 23.04 O ATOM 377 CB LEU A 934 14.325 -7.981 -29.729 1.00 41.25 C ATOM 378 CG LEU A 934 14.896 -9.153 -30.528 1.00 42.24 C ATOM 379 CD1 LEU A 934 13.944 -9.551 -31.646 1.00 24.45 C ATOM 380 CD2 LEU A 934 16.264 -8.798 -31.092 1.00 43.32 C ATOM 0 H LEU A 934 12.470 -6.872 -30.913 1.00 43.44 H new ATOM 0 HA LEU A 934 12.589 -9.175 -29.301 1.00 5.54 H new ATOM 0 HB2 LEU A 934 14.411 -7.078 -30.334 1.00 41.25 H new ATOM 0 HB3 LEU A 934 14.946 -7.833 -28.845 1.00 41.25 H new ATOM 0 HG LEU A 934 15.011 -10.004 -29.856 1.00 42.24 H new ATOM 0 HD11 LEU A 934 14.367 -10.386 -32.204 1.00 24.45 H new ATOM 0 HD12 LEU A 934 12.986 -9.847 -31.220 1.00 24.45 H new ATOM 0 HD13 LEU A 934 13.796 -8.705 -32.317 1.00 24.45 H new ATOM 0 HD21 LEU A 934 16.655 -9.644 -31.658 1.00 43.32 H new ATOM 0 HD22 LEU A 934 16.173 -7.933 -31.749 1.00 43.32 H new ATOM 0 HD23 LEU A 934 16.945 -8.563 -30.274 1.00 43.32 H new ATOM 392 N ASN A 935 12.846 -6.300 -27.676 1.00 52.15 N ATOM 393 CA ASN A 935 12.721 -5.686 -26.360 1.00 11.44 C ATOM 394 C ASN A 935 11.406 -6.084 -25.696 1.00 24.31 C ATOM 395 O ASN A 935 11.313 -6.152 -24.470 1.00 13.25 O ATOM 396 CB ASN A 935 12.806 -4.162 -26.474 1.00 72.34 C ATOM 397 CG ASN A 935 13.876 -3.715 -27.451 1.00 50.22 C ATOM 398 OD1 ASN A 935 14.961 -4.294 -27.509 1.00 0.55 O ATOM 399 ND2 ASN A 935 13.574 -2.679 -28.226 1.00 22.04 N ATOM 0 H ASN A 935 13.036 -5.642 -28.432 1.00 52.15 H new ATOM 0 HA ASN A 935 13.544 -6.044 -25.741 1.00 11.44 H new ATOM 0 HB2 ASN A 935 11.840 -3.770 -26.792 1.00 72.34 H new ATOM 0 HB3 ASN A 935 13.014 -3.738 -25.492 1.00 72.34 H new ATOM 0 HD21 ASN A 935 14.254 -2.333 -28.903 1.00 22.04 H new ATOM 0 HD22 ASN A 935 12.662 -2.229 -28.144 1.00 22.04 H new ATOM 406 N LEU A 936 10.393 -6.348 -26.514 1.00 24.13 N ATOM 407 CA LEU A 936 9.083 -6.741 -26.007 1.00 22.32 C ATOM 408 C LEU A 936 9.109 -8.174 -25.484 1.00 60.11 C ATOM 409 O LEU A 936 8.688 -8.442 -24.359 1.00 20.52 O ATOM 410 CB LEU A 936 8.028 -6.606 -27.106 1.00 33.23 C ATOM 411 CG LEU A 936 6.597 -6.344 -26.634 1.00 21.32 C ATOM 412 CD1 LEU A 936 6.087 -7.511 -25.802 1.00 4.12 C ATOM 413 CD2 LEU A 936 6.527 -5.049 -25.839 1.00 15.34 C ATOM 0 H LEU A 936 10.454 -6.297 -27.531 1.00 24.13 H new ATOM 0 HA LEU A 936 8.826 -6.077 -25.181 1.00 22.32 H new ATOM 0 HB2 LEU A 936 8.325 -5.794 -27.769 1.00 33.23 H new ATOM 0 HB3 LEU A 936 8.032 -7.520 -27.700 1.00 33.23 H new ATOM 0 HG LEU A 936 5.958 -6.244 -27.511 1.00 21.32 H new ATOM 0 HD11 LEU A 936 5.067 -7.307 -25.475 1.00 4.12 H new ATOM 0 HD12 LEU A 936 6.100 -8.420 -26.404 1.00 4.12 H new ATOM 0 HD13 LEU A 936 6.728 -7.644 -24.930 1.00 4.12 H new ATOM 0 HD21 LEU A 936 5.502 -4.878 -25.511 1.00 15.34 H new ATOM 0 HD22 LEU A 936 7.179 -5.121 -24.969 1.00 15.34 H new ATOM 0 HD23 LEU A 936 6.850 -4.219 -26.467 1.00 15.34 H new ATOM 425 N ARG A 937 9.608 -9.090 -26.308 1.00 33.01 N ATOM 426 CA ARG A 937 9.690 -10.495 -25.928 1.00 74.34 C ATOM 427 C ARG A 937 10.721 -10.701 -24.822 1.00 53.54 C ATOM 428 O ARG A 937 10.604 -11.622 -24.013 1.00 61.03 O ATOM 429 CB ARG A 937 10.051 -11.353 -27.142 1.00 75.34 C ATOM 430 CG ARG A 937 11.544 -11.424 -27.416 1.00 20.23 C ATOM 431 CD ARG A 937 12.168 -12.660 -26.786 1.00 15.12 C ATOM 432 NE ARG A 937 11.566 -13.893 -27.288 1.00 3.33 N ATOM 433 CZ ARG A 937 11.814 -15.093 -26.775 1.00 45.15 C ATOM 434 NH1 ARG A 937 12.647 -15.221 -25.752 1.00 22.22 N ATOM 435 NH2 ARG A 937 11.229 -16.168 -27.287 1.00 54.00 N ATOM 0 H ARG A 937 9.961 -8.884 -27.242 1.00 33.01 H new ATOM 0 HA ARG A 937 8.714 -10.801 -25.552 1.00 74.34 H new ATOM 0 HB2 ARG A 937 9.670 -12.363 -26.989 1.00 75.34 H new ATOM 0 HB3 ARG A 937 9.547 -10.952 -28.022 1.00 75.34 H new ATOM 0 HG2 ARG A 937 11.717 -11.436 -28.492 1.00 20.23 H new ATOM 0 HG3 ARG A 937 12.030 -10.530 -27.025 1.00 20.23 H new ATOM 0 HD2 ARG A 937 13.239 -12.670 -26.990 1.00 15.12 H new ATOM 0 HD3 ARG A 937 12.051 -12.614 -25.703 1.00 15.12 H new ATOM 0 HE ARG A 937 10.920 -13.829 -28.075 1.00 3.33 H new ATOM 0 HH11 ARG A 937 13.100 -14.397 -25.357 1.00 22.22 H new ATOM 0 HH12 ARG A 937 12.835 -16.144 -25.360 1.00 22.22 H new ATOM 0 HH21 ARG A 937 10.588 -16.073 -28.075 1.00 54.00 H new ATOM 0 HH22 ARG A 937 11.420 -17.089 -26.893 1.00 54.00 H new ATOM 449 N LEU A 938 11.730 -9.837 -24.794 1.00 14.23 N ATOM 450 CA LEU A 938 12.782 -9.923 -23.787 1.00 62.14 C ATOM 451 C LEU A 938 12.274 -9.457 -22.427 1.00 21.43 C ATOM 452 O LEU A 938 12.482 -10.125 -21.413 1.00 2.14 O ATOM 453 CB LEU A 938 13.988 -9.082 -24.209 1.00 64.23 C ATOM 454 CG LEU A 938 15.185 -9.856 -24.765 1.00 55.30 C ATOM 455 CD1 LEU A 938 15.723 -10.826 -23.725 1.00 74.10 C ATOM 456 CD2 LEU A 938 14.797 -10.595 -26.037 1.00 71.42 C ATOM 0 H LEU A 938 11.842 -9.070 -25.456 1.00 14.23 H new ATOM 0 HA LEU A 938 13.085 -10.966 -23.702 1.00 62.14 H new ATOM 0 HB2 LEU A 938 13.661 -8.367 -24.964 1.00 64.23 H new ATOM 0 HB3 LEU A 938 14.323 -8.505 -23.347 1.00 64.23 H new ATOM 0 HG LEU A 938 15.973 -9.144 -25.009 1.00 55.30 H new ATOM 0 HD11 LEU A 938 16.574 -11.368 -24.138 1.00 74.10 H new ATOM 0 HD12 LEU A 938 16.040 -10.273 -22.841 1.00 74.10 H new ATOM 0 HD13 LEU A 938 14.942 -11.534 -23.449 1.00 74.10 H new ATOM 0 HD21 LEU A 938 15.660 -11.140 -26.419 1.00 71.42 H new ATOM 0 HD22 LEU A 938 13.992 -11.297 -25.819 1.00 71.42 H new ATOM 0 HD23 LEU A 938 14.460 -9.878 -26.786 1.00 71.42 H new ATOM 468 N LEU A 939 11.605 -8.310 -22.412 1.00 4.31 N ATOM 469 CA LEU A 939 11.065 -7.755 -21.176 1.00 33.13 C ATOM 470 C LEU A 939 10.225 -8.791 -20.435 1.00 63.43 C ATOM 471 O LEU A 939 10.364 -8.969 -19.225 1.00 12.11 O ATOM 472 CB LEU A 939 10.218 -6.517 -21.476 1.00 42.04 C ATOM 473 CG LEU A 939 10.970 -5.186 -21.526 1.00 74.24 C ATOM 474 CD1 LEU A 939 10.124 -4.121 -22.206 1.00 13.30 C ATOM 475 CD2 LEU A 939 11.364 -4.743 -20.125 1.00 33.31 C ATOM 0 H LEU A 939 11.423 -7.746 -23.242 1.00 4.31 H new ATOM 0 HA LEU A 939 11.902 -7.469 -20.539 1.00 33.13 H new ATOM 0 HB2 LEU A 939 9.719 -6.666 -22.434 1.00 42.04 H new ATOM 0 HB3 LEU A 939 9.438 -6.443 -20.718 1.00 42.04 H new ATOM 0 HG LEU A 939 11.880 -5.326 -22.110 1.00 74.24 H new ATOM 0 HD11 LEU A 939 10.675 -3.181 -22.233 1.00 13.30 H new ATOM 0 HD12 LEU A 939 9.893 -4.435 -23.224 1.00 13.30 H new ATOM 0 HD13 LEU A 939 9.197 -3.983 -21.650 1.00 13.30 H new ATOM 0 HD21 LEU A 939 11.898 -3.794 -20.180 1.00 33.31 H new ATOM 0 HD22 LEU A 939 10.468 -4.620 -19.517 1.00 33.31 H new ATOM 0 HD23 LEU A 939 12.009 -5.497 -19.673 1.00 33.31 H new ATOM 487 N LYS A 940 9.355 -9.475 -21.171 1.00 24.42 N ATOM 488 CA LYS A 940 8.495 -10.497 -20.586 1.00 62.31 C ATOM 489 C LYS A 940 9.316 -11.690 -20.107 1.00 60.40 C ATOM 490 O LYS A 940 8.894 -12.431 -19.219 1.00 30.22 O ATOM 491 CB LYS A 940 7.452 -10.959 -21.606 1.00 34.22 C ATOM 492 CG LYS A 940 6.613 -9.827 -22.173 1.00 61.02 C ATOM 493 CD LYS A 940 5.243 -9.766 -21.519 1.00 72.14 C ATOM 494 CE LYS A 940 5.189 -8.700 -20.436 1.00 40.32 C ATOM 495 NZ LYS A 940 3.797 -8.235 -20.184 1.00 50.54 N ATOM 0 H LYS A 940 9.227 -9.340 -22.174 1.00 24.42 H new ATOM 0 HA LYS A 940 7.986 -10.060 -19.727 1.00 62.31 H new ATOM 0 HB2 LYS A 940 7.958 -11.470 -22.425 1.00 34.22 H new ATOM 0 HB3 LYS A 940 6.793 -11.688 -21.134 1.00 34.22 H new ATOM 0 HG2 LYS A 940 7.131 -8.879 -22.024 1.00 61.02 H new ATOM 0 HG3 LYS A 940 6.498 -9.962 -23.249 1.00 61.02 H new ATOM 0 HD2 LYS A 940 4.487 -9.556 -22.275 1.00 72.14 H new ATOM 0 HD3 LYS A 940 5.001 -10.737 -21.087 1.00 72.14 H new ATOM 0 HE2 LYS A 940 5.611 -9.098 -19.513 1.00 40.32 H new ATOM 0 HE3 LYS A 940 5.807 -7.852 -20.730 1.00 40.32 H new ATOM 0 HZ1 LYS A 940 3.803 -7.509 -19.439 1.00 50.54 H new ATOM 0 HZ2 LYS A 940 3.402 -7.832 -21.058 1.00 50.54 H new ATOM 0 HZ3 LYS A 940 3.212 -9.039 -19.879 1.00 50.54 H new ATOM 509 N LYS A 941 10.492 -11.870 -20.700 1.00 34.24 N ATOM 510 CA LYS A 941 11.374 -12.971 -20.332 1.00 72.30 C ATOM 511 C LYS A 941 12.072 -12.690 -19.005 1.00 53.33 C ATOM 512 O LYS A 941 12.132 -13.553 -18.129 1.00 2.43 O ATOM 513 CB LYS A 941 12.415 -13.205 -21.429 1.00 23.54 C ATOM 514 CG LYS A 941 13.307 -14.408 -21.173 1.00 45.14 C ATOM 515 CD LYS A 941 14.593 -14.009 -20.469 1.00 1.34 C ATOM 516 CE LYS A 941 15.515 -15.203 -20.272 1.00 13.41 C ATOM 517 NZ LYS A 941 15.912 -15.368 -18.846 1.00 53.12 N ATOM 0 H LYS A 941 10.856 -11.267 -21.438 1.00 34.24 H new ATOM 0 HA LYS A 941 10.766 -13.868 -20.219 1.00 72.30 H new ATOM 0 HB2 LYS A 941 11.903 -13.339 -22.382 1.00 23.54 H new ATOM 0 HB3 LYS A 941 13.037 -12.315 -21.524 1.00 23.54 H new ATOM 0 HG2 LYS A 941 12.770 -15.137 -20.566 1.00 45.14 H new ATOM 0 HG3 LYS A 941 13.545 -14.894 -22.119 1.00 45.14 H new ATOM 0 HD2 LYS A 941 15.106 -13.244 -21.052 1.00 1.34 H new ATOM 0 HD3 LYS A 941 14.357 -13.567 -19.501 1.00 1.34 H new ATOM 0 HE2 LYS A 941 15.016 -16.108 -20.617 1.00 13.41 H new ATOM 0 HE3 LYS A 941 16.407 -15.078 -20.885 1.00 13.41 H new ATOM 0 HZ1 LYS A 941 16.540 -16.192 -18.754 1.00 53.12 H new ATOM 0 HZ2 LYS A 941 16.411 -14.514 -18.524 1.00 53.12 H new ATOM 0 HZ3 LYS A 941 15.063 -15.513 -18.264 1.00 53.12 H new ATOM 531 N HIS A 942 12.596 -11.477 -18.864 1.00 4.35 N ATOM 532 CA HIS A 942 13.288 -11.081 -17.642 1.00 4.00 C ATOM 533 C HIS A 942 12.318 -10.448 -16.649 1.00 5.21 C ATOM 534 O HIS A 942 12.707 -10.062 -15.547 1.00 70.42 O ATOM 535 CB HIS A 942 14.418 -10.102 -17.965 1.00 34.04 C ATOM 536 CG HIS A 942 15.383 -10.617 -18.988 1.00 32.04 C ATOM 537 ND1 HIS A 942 16.300 -11.612 -18.723 1.00 61.01 N ATOM 538 CD2 HIS A 942 15.569 -10.270 -20.283 1.00 20.23 C ATOM 539 CE1 HIS A 942 17.010 -11.854 -19.811 1.00 11.23 C ATOM 540 NE2 HIS A 942 16.586 -11.053 -20.772 1.00 33.13 N ATOM 0 H HIS A 942 12.555 -10.751 -19.580 1.00 4.35 H new ATOM 0 HA HIS A 942 13.712 -11.976 -17.187 1.00 4.00 H new ATOM 0 HB2 HIS A 942 13.986 -9.167 -18.323 1.00 34.04 H new ATOM 0 HB3 HIS A 942 14.961 -9.872 -17.048 1.00 34.04 H new ATOM 0 HD1 HIS A 942 16.413 -12.087 -17.827 1.00 61.01 H new ATOM 0 HD2 HIS A 942 15.020 -9.518 -20.830 1.00 20.23 H new ATOM 0 HE1 HIS A 942 17.802 -12.583 -19.899 1.00 11.23 H new ATOM 548 N ASN A 943 11.055 -10.343 -17.048 1.00 31.32 N ATOM 549 CA ASN A 943 10.030 -9.755 -16.193 1.00 72.52 C ATOM 550 C ASN A 943 10.302 -8.273 -15.958 1.00 40.21 C ATOM 551 O ASN A 943 10.620 -7.858 -14.843 1.00 62.52 O ATOM 552 CB ASN A 943 9.968 -10.493 -14.854 1.00 4.20 C ATOM 553 CG ASN A 943 10.151 -11.990 -15.009 1.00 65.25 C ATOM 554 OD1 ASN A 943 9.427 -12.640 -15.763 1.00 34.53 O ATOM 555 ND2 ASN A 943 11.124 -12.544 -14.295 1.00 62.42 N ATOM 0 H ASN A 943 10.717 -10.657 -17.957 1.00 31.32 H new ATOM 0 HA ASN A 943 9.070 -9.854 -16.699 1.00 72.52 H new ATOM 0 HB2 ASN A 943 10.740 -10.102 -14.191 1.00 4.20 H new ATOM 0 HB3 ASN A 943 9.008 -10.295 -14.377 1.00 4.20 H new ATOM 0 HD21 ASN A 943 11.296 -13.547 -14.359 1.00 62.42 H new ATOM 0 HD22 ASN A 943 11.700 -11.966 -13.683 1.00 62.42 H new ATOM 562 N TYR A 944 10.174 -7.479 -17.015 1.00 43.23 N ATOM 563 CA TYR A 944 10.408 -6.042 -16.925 1.00 61.41 C ATOM 564 C TYR A 944 11.808 -5.751 -16.395 1.00 5.34 C ATOM 565 O TYR A 944 11.979 -4.974 -15.456 1.00 44.33 O ATOM 566 CB TYR A 944 9.362 -5.390 -16.020 1.00 73.01 C ATOM 567 CG TYR A 944 8.066 -5.067 -16.728 1.00 55.14 C ATOM 568 CD1 TYR A 944 7.416 -6.022 -17.500 1.00 53.13 C ATOM 569 CD2 TYR A 944 7.490 -3.806 -16.625 1.00 21.33 C ATOM 570 CE1 TYR A 944 6.232 -5.731 -18.150 1.00 12.43 C ATOM 571 CE2 TYR A 944 6.306 -3.507 -17.269 1.00 54.55 C ATOM 572 CZ TYR A 944 5.681 -4.472 -18.031 1.00 54.21 C ATOM 573 OH TYR A 944 4.501 -4.178 -18.675 1.00 74.13 O ATOM 0 H TYR A 944 9.909 -7.806 -17.944 1.00 43.23 H new ATOM 0 HA TYR A 944 10.324 -5.622 -17.927 1.00 61.41 H new ATOM 0 HB2 TYR A 944 9.153 -6.056 -15.183 1.00 73.01 H new ATOM 0 HB3 TYR A 944 9.776 -4.473 -15.602 1.00 73.01 H new ATOM 0 HD1 TYR A 944 7.844 -7.009 -17.594 1.00 53.13 H new ATOM 0 HD2 TYR A 944 7.977 -3.047 -16.031 1.00 21.33 H new ATOM 0 HE1 TYR A 944 5.741 -6.485 -18.748 1.00 12.43 H new ATOM 0 HE2 TYR A 944 5.871 -2.523 -17.177 1.00 54.55 H new ATOM 0 HH TYR A 944 4.248 -3.250 -18.488 1.00 74.13 H new ATOM 583 N ASN A 945 12.808 -6.380 -17.004 1.00 30.32 N ATOM 584 CA ASN A 945 14.195 -6.189 -16.594 1.00 75.20 C ATOM 585 C ASN A 945 15.036 -5.662 -17.752 1.00 43.10 C ATOM 586 O ASN A 945 15.749 -6.420 -18.410 1.00 71.32 O ATOM 587 CB ASN A 945 14.782 -7.505 -16.080 1.00 10.04 C ATOM 588 CG ASN A 945 15.683 -7.305 -14.876 1.00 52.52 C ATOM 589 OD1 ASN A 945 16.683 -6.444 -15.023 1.00 70.20 O flip ATOM 590 ND2 ASN A 945 15.481 -7.916 -13.827 1.00 44.11 N flip ATOM 0 H ASN A 945 12.684 -7.026 -17.783 1.00 30.32 H new ATOM 0 HA ASN A 945 14.213 -5.453 -15.791 1.00 75.20 H new ATOM 0 HB2 ASN A 945 13.970 -8.183 -15.815 1.00 10.04 H new ATOM 0 HB3 ASN A 945 15.348 -7.984 -16.879 1.00 10.04 H new ATOM 0 HD21 ASN A 945 14.700 -8.568 -13.759 1.00 44.11 H new ATOM 0 HD22 ASN A 945 16.095 -7.770 -13.025 1.00 44.11 H new ATOM 597 N ILE A 946 14.949 -4.358 -17.994 1.00 71.31 N ATOM 598 CA ILE A 946 15.704 -3.730 -19.071 1.00 54.41 C ATOM 599 C ILE A 946 17.181 -4.100 -18.996 1.00 72.33 C ATOM 600 O ILE A 946 17.825 -4.338 -20.019 1.00 2.11 O ATOM 601 CB ILE A 946 15.568 -2.196 -19.033 1.00 1.04 C ATOM 602 CG1 ILE A 946 16.416 -1.559 -20.136 1.00 31.41 C ATOM 603 CG2 ILE A 946 15.978 -1.662 -17.668 1.00 34.20 C ATOM 604 CD1 ILE A 946 16.066 -2.047 -21.524 1.00 55.03 C ATOM 0 H ILE A 946 14.364 -3.717 -17.459 1.00 71.31 H new ATOM 0 HA ILE A 946 15.286 -4.101 -20.007 1.00 54.41 H new ATOM 0 HB ILE A 946 14.524 -1.934 -19.206 1.00 1.04 H new ATOM 0 HG12 ILE A 946 16.293 -0.477 -20.098 1.00 31.41 H new ATOM 0 HG13 ILE A 946 17.468 -1.767 -19.941 1.00 31.41 H new ATOM 0 HG21 ILE A 946 15.877 -0.577 -17.656 1.00 34.20 H new ATOM 0 HG22 ILE A 946 15.336 -2.095 -16.900 1.00 34.20 H new ATOM 0 HG23 ILE A 946 17.015 -1.932 -17.468 1.00 34.20 H new ATOM 0 HD11 ILE A 946 16.706 -1.554 -22.255 1.00 55.03 H new ATOM 0 HD12 ILE A 946 16.216 -3.125 -21.579 1.00 55.03 H new ATOM 0 HD13 ILE A 946 15.023 -1.814 -21.739 1.00 55.03 H new ATOM 616 N LEU A 947 17.712 -4.150 -17.780 1.00 13.24 N ATOM 617 CA LEU A 947 19.114 -4.494 -17.570 1.00 72.01 C ATOM 618 C LEU A 947 19.451 -5.829 -18.227 1.00 50.53 C ATOM 619 O LEU A 947 20.411 -5.930 -18.990 1.00 42.44 O ATOM 620 CB LEU A 947 19.426 -4.556 -16.074 1.00 30.11 C ATOM 621 CG LEU A 947 18.927 -3.379 -15.235 1.00 23.22 C ATOM 622 CD1 LEU A 947 19.376 -3.526 -13.789 1.00 61.22 C ATOM 623 CD2 LEU A 947 19.420 -2.062 -15.817 1.00 22.41 C ATOM 0 H LEU A 947 17.193 -3.957 -16.924 1.00 13.24 H new ATOM 0 HA LEU A 947 19.726 -3.718 -18.030 1.00 72.01 H new ATOM 0 HB2 LEU A 947 18.995 -5.472 -15.671 1.00 30.11 H new ATOM 0 HB3 LEU A 947 20.506 -4.631 -15.951 1.00 30.11 H new ATOM 0 HG LEU A 947 17.837 -3.378 -15.257 1.00 23.22 H new ATOM 0 HD11 LEU A 947 19.012 -2.679 -13.207 1.00 61.22 H new ATOM 0 HD12 LEU A 947 18.974 -4.451 -13.375 1.00 61.22 H new ATOM 0 HD13 LEU A 947 20.465 -3.553 -13.747 1.00 61.22 H new ATOM 0 HD21 LEU A 947 19.055 -1.235 -15.207 1.00 22.41 H new ATOM 0 HD22 LEU A 947 20.510 -2.053 -15.825 1.00 22.41 H new ATOM 0 HD23 LEU A 947 19.048 -1.953 -16.836 1.00 22.41 H new ATOM 635 N GLN A 948 18.653 -6.848 -17.927 1.00 64.51 N ATOM 636 CA GLN A 948 18.867 -8.176 -18.490 1.00 62.34 C ATOM 637 C GLN A 948 18.467 -8.214 -19.961 1.00 75.44 C ATOM 638 O GLN A 948 19.051 -8.952 -20.756 1.00 13.42 O ATOM 639 CB GLN A 948 18.071 -9.220 -17.706 1.00 23.55 C ATOM 640 CG GLN A 948 18.412 -9.259 -16.225 1.00 4.44 C ATOM 641 CD GLN A 948 19.867 -9.600 -15.969 1.00 61.24 C ATOM 642 OE1 GLN A 948 20.756 -8.772 -16.171 1.00 31.10 O ATOM 643 NE2 GLN A 948 20.118 -10.825 -15.523 1.00 23.30 N ATOM 0 H GLN A 948 17.853 -6.780 -17.298 1.00 64.51 H new ATOM 0 HA GLN A 948 19.929 -8.408 -18.415 1.00 62.34 H new ATOM 0 HB2 GLN A 948 17.007 -9.014 -17.820 1.00 23.55 H new ATOM 0 HB3 GLN A 948 18.253 -10.204 -18.138 1.00 23.55 H new ATOM 0 HG2 GLN A 948 18.186 -8.291 -15.779 1.00 4.44 H new ATOM 0 HG3 GLN A 948 17.778 -9.994 -15.729 1.00 4.44 H new ATOM 0 HE21 GLN A 948 19.351 -11.479 -15.370 1.00 23.30 H new ATOM 0 HE22 GLN A 948 21.078 -11.112 -15.334 1.00 23.30 H new ATOM 652 N VAL A 949 17.466 -7.415 -20.318 1.00 72.41 N ATOM 653 CA VAL A 949 16.987 -7.357 -21.694 1.00 62.21 C ATOM 654 C VAL A 949 18.097 -6.921 -22.644 1.00 10.10 C ATOM 655 O VAL A 949 18.465 -7.652 -23.563 1.00 63.14 O ATOM 656 CB VAL A 949 15.797 -6.390 -21.834 1.00 11.31 C ATOM 657 CG1 VAL A 949 15.423 -6.211 -23.297 1.00 41.34 C ATOM 658 CG2 VAL A 949 14.607 -6.889 -21.028 1.00 62.54 C ATOM 0 H VAL A 949 16.971 -6.799 -19.673 1.00 72.41 H new ATOM 0 HA VAL A 949 16.661 -8.363 -21.958 1.00 62.21 H new ATOM 0 HB VAL A 949 16.093 -5.418 -21.438 1.00 11.31 H new ATOM 0 HG11 VAL A 949 14.580 -5.524 -23.376 1.00 41.34 H new ATOM 0 HG12 VAL A 949 16.274 -5.805 -23.843 1.00 41.34 H new ATOM 0 HG13 VAL A 949 15.146 -7.176 -23.722 1.00 41.34 H new ATOM 0 HG21 VAL A 949 13.775 -6.193 -21.139 1.00 62.54 H new ATOM 0 HG22 VAL A 949 14.308 -7.872 -21.391 1.00 62.54 H new ATOM 0 HG23 VAL A 949 14.884 -6.959 -19.976 1.00 62.54 H new ATOM 668 N VAL A 950 18.627 -5.724 -22.415 1.00 44.34 N ATOM 669 CA VAL A 950 19.697 -5.190 -23.250 1.00 1.53 C ATOM 670 C VAL A 950 20.876 -6.154 -23.316 1.00 1.22 C ATOM 671 O VAL A 950 21.511 -6.307 -24.360 1.00 54.42 O ATOM 672 CB VAL A 950 20.191 -3.828 -22.726 1.00 54.30 C ATOM 673 CG1 VAL A 950 21.368 -3.333 -23.551 1.00 45.15 C ATOM 674 CG2 VAL A 950 19.058 -2.812 -22.735 1.00 43.22 C ATOM 0 H VAL A 950 18.333 -5.106 -21.659 1.00 44.34 H new ATOM 0 HA VAL A 950 19.283 -5.058 -24.250 1.00 1.53 H new ATOM 0 HB VAL A 950 20.528 -3.954 -21.697 1.00 54.30 H new ATOM 0 HG11 VAL A 950 21.703 -2.370 -23.166 1.00 45.15 H new ATOM 0 HG12 VAL A 950 22.184 -4.053 -23.488 1.00 45.15 H new ATOM 0 HG13 VAL A 950 21.062 -3.221 -24.591 1.00 45.15 H new ATOM 0 HG21 VAL A 950 19.424 -1.855 -22.362 1.00 43.22 H new ATOM 0 HG22 VAL A 950 18.689 -2.687 -23.753 1.00 43.22 H new ATOM 0 HG23 VAL A 950 18.248 -3.165 -22.096 1.00 43.22 H new ATOM 684 N THR A 951 21.165 -6.804 -22.193 1.00 24.21 N ATOM 685 CA THR A 951 22.269 -7.754 -22.122 1.00 53.23 C ATOM 686 C THR A 951 22.058 -8.914 -23.088 1.00 32.53 C ATOM 687 O THR A 951 22.977 -9.315 -23.800 1.00 65.22 O ATOM 688 CB THR A 951 22.440 -8.311 -20.697 1.00 35.44 C ATOM 689 OG1 THR A 951 22.801 -7.257 -19.798 1.00 53.40 O ATOM 690 CG2 THR A 951 23.503 -9.398 -20.664 1.00 64.35 C ATOM 0 H THR A 951 20.650 -6.690 -21.320 1.00 24.21 H new ATOM 0 HA THR A 951 23.172 -7.211 -22.402 1.00 53.23 H new ATOM 0 HB THR A 951 21.490 -8.744 -20.385 1.00 35.44 H new ATOM 0 HG1 THR A 951 21.992 -6.794 -19.495 1.00 53.40 H new ATOM 0 HG21 THR A 951 23.606 -9.776 -19.647 1.00 64.35 H new ATOM 0 HG22 THR A 951 23.211 -10.213 -21.326 1.00 64.35 H new ATOM 0 HG23 THR A 951 24.456 -8.985 -20.996 1.00 64.35 H new ATOM 698 N GLU A 952 20.841 -9.450 -23.106 1.00 50.50 N ATOM 699 CA GLU A 952 20.511 -10.565 -23.985 1.00 71.02 C ATOM 700 C GLU A 952 20.690 -10.175 -25.450 1.00 21.14 C ATOM 701 O GLU A 952 21.291 -10.913 -26.231 1.00 63.14 O ATOM 702 CB GLU A 952 19.073 -11.027 -23.741 1.00 72.24 C ATOM 703 CG GLU A 952 18.816 -12.464 -24.163 1.00 34.22 C ATOM 704 CD GLU A 952 19.558 -13.467 -23.301 1.00 2.30 C ATOM 705 OE1 GLU A 952 19.914 -13.116 -22.156 1.00 41.55 O ATOM 706 OE2 GLU A 952 19.784 -14.602 -23.770 1.00 52.54 O ATOM 0 H GLU A 952 20.068 -9.130 -22.522 1.00 50.50 H new ATOM 0 HA GLU A 952 21.192 -11.386 -23.760 1.00 71.02 H new ATOM 0 HB2 GLU A 952 18.841 -10.921 -22.681 1.00 72.24 H new ATOM 0 HB3 GLU A 952 18.392 -10.371 -24.283 1.00 72.24 H new ATOM 0 HG2 GLU A 952 17.746 -12.668 -24.112 1.00 34.22 H new ATOM 0 HG3 GLU A 952 19.116 -12.592 -25.203 1.00 34.22 H new ATOM 713 N LEU A 953 20.164 -9.011 -25.814 1.00 70.12 N ATOM 714 CA LEU A 953 20.265 -8.522 -27.185 1.00 14.21 C ATOM 715 C LEU A 953 21.723 -8.393 -27.611 1.00 44.13 C ATOM 716 O LEU A 953 22.048 -8.509 -28.794 1.00 24.43 O ATOM 717 CB LEU A 953 19.561 -7.170 -27.318 1.00 2.14 C ATOM 718 CG LEU A 953 18.107 -7.121 -26.849 1.00 35.31 C ATOM 719 CD1 LEU A 953 17.457 -5.809 -27.259 1.00 2.41 C ATOM 720 CD2 LEU A 953 17.326 -8.302 -27.408 1.00 42.04 C ATOM 0 H LEU A 953 19.664 -8.388 -25.180 1.00 70.12 H new ATOM 0 HA LEU A 953 19.777 -9.245 -27.839 1.00 14.21 H new ATOM 0 HB2 LEU A 953 20.129 -6.430 -26.754 1.00 2.14 H new ATOM 0 HB3 LEU A 953 19.595 -6.867 -28.364 1.00 2.14 H new ATOM 0 HG LEU A 953 18.095 -7.184 -25.761 1.00 35.31 H new ATOM 0 HD11 LEU A 953 16.422 -5.793 -26.916 1.00 2.41 H new ATOM 0 HD12 LEU A 953 18.001 -4.978 -26.810 1.00 2.41 H new ATOM 0 HD13 LEU A 953 17.481 -5.715 -28.345 1.00 2.41 H new ATOM 0 HD21 LEU A 953 16.293 -8.251 -27.064 1.00 42.04 H new ATOM 0 HD22 LEU A 953 17.348 -8.270 -28.497 1.00 42.04 H new ATOM 0 HD23 LEU A 953 17.777 -9.232 -27.064 1.00 42.04 H new ATOM 732 N LEU A 954 22.599 -8.154 -26.641 1.00 51.23 N ATOM 733 CA LEU A 954 24.025 -8.011 -26.915 1.00 74.54 C ATOM 734 C LEU A 954 24.640 -9.351 -27.308 1.00 40.21 C ATOM 735 O LEU A 954 25.125 -9.517 -28.427 1.00 12.10 O ATOM 736 CB LEU A 954 24.746 -7.446 -25.691 1.00 15.53 C ATOM 737 CG LEU A 954 25.855 -6.432 -25.974 1.00 14.33 C ATOM 738 CD1 LEU A 954 25.291 -5.206 -26.676 1.00 61.45 C ATOM 739 CD2 LEU A 954 26.555 -6.033 -24.683 1.00 21.32 C ATOM 0 H LEU A 954 22.347 -8.055 -25.658 1.00 51.23 H new ATOM 0 HA LEU A 954 24.142 -7.319 -27.749 1.00 74.54 H new ATOM 0 HB2 LEU A 954 24.006 -6.974 -25.044 1.00 15.53 H new ATOM 0 HB3 LEU A 954 25.175 -8.277 -25.131 1.00 15.53 H new ATOM 0 HG LEU A 954 26.588 -6.898 -26.633 1.00 14.33 H new ATOM 0 HD11 LEU A 954 26.095 -4.495 -26.869 1.00 61.45 H new ATOM 0 HD12 LEU A 954 24.836 -5.505 -27.620 1.00 61.45 H new ATOM 0 HD13 LEU A 954 24.538 -4.738 -26.042 1.00 61.45 H new ATOM 0 HD21 LEU A 954 27.341 -5.311 -24.904 1.00 21.32 H new ATOM 0 HD22 LEU A 954 25.832 -5.586 -24.001 1.00 21.32 H new ATOM 0 HD23 LEU A 954 26.994 -6.916 -24.219 1.00 21.32 H new