USER MOD reduce.3.24.130724 H: found=0, std=0, add=327, rem=0, adj=6 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 31:sc= 0.0515 USER MOD Single : A 921 MET CE :methyl -133:sc= -0.0688 (180deg=-0.12) USER MOD Single : A 923 HIS : no HD1:sc= -0.863 X(o=-0.86,f=-0.37) USER MOD Single : A 927 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 930 CYS SG : rot 180:sc= 0 USER MOD Single : A 933 GLN : amide:sc= -0.0285 X(o=-0.028,f=0) USER MOD Single : A 935 ASN : amide:sc= -5.17! C(o=-5.2!,f=-7.4!) 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! C(o=-5!,f=-7.3!) USER MOD Single : A 943 ASN : amide:sc= -0.273 X(o=-0.27,f=-0.24) USER MOD Single : A 944 TYR OH : rot 180:sc= 0 USER MOD Single : A 945 ASN : amide:sc= -0.0225 K(o=-0.022,f=-0.87) USER MOD Single : A 948 GLN : amide:sc=-0.00153 X(o=-0.0015,f=-0.0015) USER MOD Single : A 951 THR OG1 : rot 84:sc= 1.15 USER MOD ----------------------------------------------------------------- ATOM 114 N THR A 917 7.801 0.923 -19.695 1.00 11.10 N ATOM 115 CA THR A 917 8.388 0.114 -20.756 1.00 55.41 C ATOM 116 C THR A 917 8.899 0.989 -21.895 1.00 71.11 C ATOM 117 O THR A 917 9.931 0.697 -22.499 1.00 13.30 O ATOM 118 CB THR A 917 7.372 -0.898 -21.318 1.00 34.13 C ATOM 119 OG1 THR A 917 6.937 -1.783 -20.279 1.00 72.13 O ATOM 120 CG2 THR A 917 7.982 -1.703 -22.455 1.00 23.54 C ATOM 0 HA THR A 917 9.224 -0.428 -20.314 1.00 55.41 H new ATOM 0 HB THR A 917 6.517 -0.344 -21.705 1.00 34.13 H new ATOM 0 HG1 THR A 917 6.945 -1.309 -19.421 1.00 72.13 H new ATOM 0 HG21 THR A 917 7.246 -2.411 -22.836 1.00 23.54 H new ATOM 0 HG22 THR A 917 8.285 -1.029 -23.256 1.00 23.54 H new ATOM 0 HG23 THR A 917 8.853 -2.247 -22.089 1.00 23.54 H new ATOM 128 N ALA A 918 8.171 2.063 -22.183 1.00 73.32 N ATOM 129 CA ALA A 918 8.553 2.981 -23.248 1.00 52.44 C ATOM 130 C ALA A 918 9.893 3.643 -22.948 1.00 3.41 C ATOM 131 O ALA A 918 10.644 3.989 -23.860 1.00 32.21 O ATOM 132 CB ALA A 918 7.474 4.036 -23.448 1.00 22.10 C ATOM 0 H ALA A 918 7.313 2.318 -21.693 1.00 73.32 H new ATOM 0 HA ALA A 918 8.659 2.406 -24.168 1.00 52.44 H new ATOM 0 HB1 ALA A 918 7.773 4.715 -24.247 1.00 22.10 H new ATOM 0 HB2 ALA A 918 6.536 3.550 -23.716 1.00 22.10 H new ATOM 0 HB3 ALA A 918 7.340 4.599 -22.524 1.00 22.10 H new ATOM 138 N ALA A 919 10.187 3.818 -21.664 1.00 22.34 N ATOM 139 CA ALA A 919 11.438 4.437 -21.243 1.00 51.15 C ATOM 140 C ALA A 919 12.606 3.468 -21.387 1.00 62.32 C ATOM 141 O ALA A 919 13.715 3.864 -21.749 1.00 53.44 O ATOM 142 CB ALA A 919 11.328 4.925 -19.807 1.00 5.35 C ATOM 0 H ALA A 919 9.575 3.540 -20.897 1.00 22.34 H new ATOM 0 HA ALA A 919 11.628 5.292 -21.892 1.00 51.15 H new ATOM 0 HB1 ALA A 919 12.269 5.385 -19.506 1.00 5.35 H new ATOM 0 HB2 ALA A 919 10.525 5.659 -19.733 1.00 5.35 H new ATOM 0 HB3 ALA A 919 11.110 4.082 -19.152 1.00 5.35 H new ATOM 148 N LEU A 920 12.352 2.196 -21.101 1.00 31.31 N ATOM 149 CA LEU A 920 13.383 1.169 -21.198 1.00 23.42 C ATOM 150 C LEU A 920 13.719 0.870 -22.655 1.00 62.04 C ATOM 151 O LEU A 920 14.886 0.711 -23.014 1.00 33.45 O ATOM 152 CB LEU A 920 12.924 -0.111 -20.496 1.00 5.31 C ATOM 153 CG LEU A 920 12.179 0.079 -19.174 1.00 42.22 C ATOM 154 CD1 LEU A 920 11.751 -1.264 -18.605 1.00 61.50 C ATOM 155 CD2 LEU A 920 13.047 0.831 -18.176 1.00 2.31 C ATOM 0 H LEU A 920 11.441 1.851 -20.800 1.00 31.31 H new ATOM 0 HA LEU A 920 14.281 1.544 -20.707 1.00 23.42 H new ATOM 0 HB2 LEU A 920 12.278 -0.664 -21.178 1.00 5.31 H new ATOM 0 HB3 LEU A 920 13.799 -0.734 -20.311 1.00 5.31 H new ATOM 0 HG LEU A 920 11.284 0.671 -19.365 1.00 42.22 H new ATOM 0 HD11 LEU A 920 11.222 -1.109 -17.664 1.00 61.50 H new ATOM 0 HD12 LEU A 920 11.092 -1.766 -19.313 1.00 61.50 H new ATOM 0 HD13 LEU A 920 12.632 -1.882 -18.429 1.00 61.50 H new ATOM 0 HD21 LEU A 920 12.501 0.957 -17.241 1.00 2.31 H new ATOM 0 HD22 LEU A 920 13.960 0.266 -17.989 1.00 2.31 H new ATOM 0 HD23 LEU A 920 13.303 1.810 -18.582 1.00 2.31 H new ATOM 167 N MET A 921 12.689 0.798 -23.492 1.00 30.21 N ATOM 168 CA MET A 921 12.876 0.522 -24.912 1.00 33.14 C ATOM 169 C MET A 921 13.848 1.518 -25.536 1.00 23.34 C ATOM 170 O MET A 921 14.607 1.174 -26.441 1.00 61.24 O ATOM 171 CB MET A 921 11.534 0.575 -25.644 1.00 74.31 C ATOM 172 CG MET A 921 10.649 -0.633 -25.379 1.00 51.33 C ATOM 173 SD MET A 921 9.523 -0.982 -26.744 1.00 3.30 S ATOM 174 CE MET A 921 8.095 -0.015 -26.260 1.00 72.52 C ATOM 0 H MET A 921 11.717 0.927 -23.212 1.00 30.21 H new ATOM 0 HA MET A 921 13.296 -0.479 -25.010 1.00 33.14 H new ATOM 0 HB2 MET A 921 11.002 1.478 -25.345 1.00 74.31 H new ATOM 0 HB3 MET A 921 11.717 0.653 -26.716 1.00 74.31 H new ATOM 0 HG2 MET A 921 11.277 -1.506 -25.199 1.00 51.33 H new ATOM 0 HG3 MET A 921 10.071 -0.463 -24.471 1.00 51.33 H new ATOM 0 HE1 MET A 921 7.194 -0.620 -26.362 1.00 72.52 H new ATOM 0 HE2 MET A 921 8.204 0.301 -25.223 1.00 72.52 H new ATOM 0 HE3 MET A 921 8.016 0.863 -26.900 1.00 72.52 H new ATOM 184 N ALA A 922 13.820 2.753 -25.045 1.00 72.42 N ATOM 185 CA ALA A 922 14.700 3.797 -25.554 1.00 1.01 C ATOM 186 C ALA A 922 16.156 3.503 -25.211 1.00 65.31 C ATOM 187 O ALA A 922 17.070 3.924 -25.922 1.00 35.00 O ATOM 188 CB ALA A 922 14.288 5.152 -24.997 1.00 62.22 C ATOM 0 H ALA A 922 13.197 3.054 -24.295 1.00 72.42 H new ATOM 0 HA ALA A 922 14.607 3.819 -26.640 1.00 1.01 H new ATOM 0 HB1 ALA A 922 14.954 5.923 -25.385 1.00 62.22 H new ATOM 0 HB2 ALA A 922 13.264 5.373 -25.297 1.00 62.22 H new ATOM 0 HB3 ALA A 922 14.351 5.133 -23.909 1.00 62.22 H new ATOM 194 N HIS A 923 16.367 2.778 -24.117 1.00 62.51 N ATOM 195 CA HIS A 923 17.714 2.427 -23.680 1.00 31.00 C ATOM 196 C HIS A 923 18.378 1.479 -24.674 1.00 2.01 C ATOM 197 O HIS A 923 19.589 1.541 -24.893 1.00 31.34 O ATOM 198 CB HIS A 923 17.672 1.783 -22.294 1.00 15.33 C ATOM 199 CG HIS A 923 17.090 2.672 -21.238 1.00 41.50 C ATOM 200 ND1 HIS A 923 16.937 4.033 -21.401 1.00 13.12 N ATOM 201 CD2 HIS A 923 16.622 2.388 -20.000 1.00 72.13 C ATOM 202 CE1 HIS A 923 16.401 4.547 -20.308 1.00 52.42 C ATOM 203 NE2 HIS A 923 16.199 3.570 -19.443 1.00 65.21 N ATOM 0 H HIS A 923 15.623 2.422 -23.517 1.00 62.51 H new ATOM 0 HA HIS A 923 18.303 3.343 -23.629 1.00 31.00 H new ATOM 0 HB2 HIS A 923 17.088 0.864 -22.347 1.00 15.33 H new ATOM 0 HB3 HIS A 923 18.684 1.501 -22.003 1.00 15.33 H new ATOM 0 HD2 HIS A 923 16.588 1.413 -19.536 1.00 72.13 H new ATOM 0 HE1 HIS A 923 16.168 5.589 -20.149 1.00 52.42 H new ATOM 0 HE2 HIS A 923 15.795 3.676 -18.513 1.00 65.21 H new ATOM 211 N LEU A 924 17.579 0.603 -25.272 1.00 64.44 N ATOM 212 CA LEU A 924 18.090 -0.359 -26.243 1.00 71.50 C ATOM 213 C LEU A 924 18.331 0.306 -27.594 1.00 71.02 C ATOM 214 O LEU A 924 19.365 0.093 -28.227 1.00 62.13 O ATOM 215 CB LEU A 924 17.109 -1.522 -26.402 1.00 60.52 C ATOM 216 CG LEU A 924 16.754 -2.281 -25.123 1.00 23.21 C ATOM 217 CD1 LEU A 924 15.281 -2.105 -24.789 1.00 61.41 C ATOM 218 CD2 LEU A 924 17.098 -3.757 -25.265 1.00 45.32 C ATOM 0 H LEU A 924 16.575 0.538 -25.102 1.00 64.44 H new ATOM 0 HA LEU A 924 19.041 -0.741 -25.873 1.00 71.50 H new ATOM 0 HB2 LEU A 924 16.188 -1.137 -26.839 1.00 60.52 H new ATOM 0 HB3 LEU A 924 17.529 -2.230 -27.116 1.00 60.52 H new ATOM 0 HG LEU A 924 17.343 -1.869 -24.304 1.00 23.21 H new ATOM 0 HD11 LEU A 924 15.047 -2.652 -23.876 1.00 61.41 H new ATOM 0 HD12 LEU A 924 15.065 -1.047 -24.643 1.00 61.41 H new ATOM 0 HD13 LEU A 924 14.674 -2.490 -25.608 1.00 61.41 H new ATOM 0 HD21 LEU A 924 16.839 -4.281 -24.345 1.00 45.32 H new ATOM 0 HD22 LEU A 924 16.536 -4.183 -26.096 1.00 45.32 H new ATOM 0 HD23 LEU A 924 18.166 -3.865 -25.455 1.00 45.32 H new ATOM 230 N PHE A 925 17.370 1.114 -28.030 1.00 3.55 N ATOM 231 CA PHE A 925 17.478 1.813 -29.305 1.00 64.32 C ATOM 232 C PHE A 925 18.745 2.662 -29.355 1.00 1.24 C ATOM 233 O PHE A 925 19.295 2.912 -30.426 1.00 65.55 O ATOM 234 CB PHE A 925 16.250 2.695 -29.533 1.00 54.44 C ATOM 235 CG PHE A 925 14.951 1.944 -29.467 1.00 70.31 C ATOM 236 CD1 PHE A 925 14.848 0.664 -29.988 1.00 45.14 C ATOM 237 CD2 PHE A 925 13.832 2.517 -28.884 1.00 5.11 C ATOM 238 CE1 PHE A 925 13.655 -0.031 -29.929 1.00 10.53 C ATOM 239 CE2 PHE A 925 12.637 1.827 -28.821 1.00 54.20 C ATOM 240 CZ PHE A 925 12.547 0.552 -29.345 1.00 43.41 C ATOM 0 H PHE A 925 16.507 1.301 -27.519 1.00 3.55 H new ATOM 0 HA PHE A 925 17.532 1.066 -30.097 1.00 64.32 H new ATOM 0 HB2 PHE A 925 16.239 3.489 -28.786 1.00 54.44 H new ATOM 0 HB3 PHE A 925 16.334 3.175 -30.508 1.00 54.44 H new ATOM 0 HD1 PHE A 925 15.711 0.204 -30.446 1.00 45.14 H new ATOM 0 HD2 PHE A 925 13.895 3.514 -28.474 1.00 5.11 H new ATOM 0 HE1 PHE A 925 13.589 -1.028 -30.339 1.00 10.53 H new ATOM 0 HE2 PHE A 925 11.773 2.284 -28.362 1.00 54.20 H new ATOM 0 HZ PHE A 925 11.613 0.012 -29.298 1.00 43.41 H new ATOM 250 N GLU A 926 19.200 3.104 -28.186 1.00 64.42 N ATOM 251 CA GLU A 926 20.401 3.926 -28.097 1.00 0.25 C ATOM 252 C GLU A 926 21.629 3.149 -28.563 1.00 51.52 C ATOM 253 O GLU A 926 22.625 3.737 -28.985 1.00 14.12 O ATOM 254 CB GLU A 926 20.607 4.412 -26.660 1.00 50.44 C ATOM 255 CG GLU A 926 19.943 5.748 -26.369 1.00 23.32 C ATOM 256 CD GLU A 926 20.608 6.901 -27.096 1.00 30.44 C ATOM 257 OE1 GLU A 926 21.568 7.477 -26.543 1.00 62.50 O ATOM 258 OE2 GLU A 926 20.167 7.227 -28.218 1.00 23.51 O ATOM 0 H GLU A 926 18.756 2.907 -27.289 1.00 64.42 H new ATOM 0 HA GLU A 926 20.269 4.788 -28.750 1.00 0.25 H new ATOM 0 HB2 GLU A 926 20.214 3.663 -25.972 1.00 50.44 H new ATOM 0 HB3 GLU A 926 21.676 4.496 -26.463 1.00 50.44 H new ATOM 0 HG2 GLU A 926 18.893 5.698 -26.658 1.00 23.32 H new ATOM 0 HG3 GLU A 926 19.969 5.936 -25.296 1.00 23.32 H new ATOM 265 N MET A 927 21.550 1.825 -28.484 1.00 15.34 N ATOM 266 CA MET A 927 22.654 0.968 -28.898 1.00 73.41 C ATOM 267 C MET A 927 22.648 0.767 -30.410 1.00 72.42 C ATOM 268 O MET A 927 23.698 0.768 -31.050 1.00 64.13 O ATOM 269 CB MET A 927 22.569 -0.387 -28.192 1.00 13.34 C ATOM 270 CG MET A 927 22.697 -0.293 -26.680 1.00 2.41 C ATOM 271 SD MET A 927 24.372 0.113 -26.149 1.00 60.20 S ATOM 272 CE MET A 927 24.218 -0.068 -24.374 1.00 34.12 C ATOM 0 H MET A 927 20.733 1.322 -28.137 1.00 15.34 H new ATOM 0 HA MET A 927 23.586 1.458 -28.617 1.00 73.41 H new ATOM 0 HB2 MET A 927 21.617 -0.857 -28.439 1.00 13.34 H new ATOM 0 HB3 MET A 927 23.355 -1.037 -28.575 1.00 13.34 H new ATOM 0 HG2 MET A 927 22.008 0.465 -26.307 1.00 2.41 H new ATOM 0 HG3 MET A 927 22.399 -1.242 -26.234 1.00 2.41 H new ATOM 0 HE1 MET A 927 25.176 0.151 -23.902 1.00 34.12 H new ATOM 0 HE2 MET A 927 23.463 0.625 -24.002 1.00 34.12 H new ATOM 0 HE3 MET A 927 23.921 -1.090 -24.137 1.00 34.12 H new ATOM 282 N GLY A 928 21.457 0.594 -30.975 1.00 73.44 N ATOM 283 CA GLY A 928 21.337 0.393 -32.408 1.00 4.32 C ATOM 284 C GLY A 928 20.631 -0.902 -32.755 1.00 63.22 C ATOM 285 O GLY A 928 20.888 -1.496 -33.803 1.00 55.30 O ATOM 0 H GLY A 928 20.573 0.589 -30.466 1.00 73.44 H new ATOM 0 HA2 GLY A 928 20.791 1.229 -32.844 1.00 4.32 H new ATOM 0 HA3 GLY A 928 22.331 0.393 -32.856 1.00 4.32 H new ATOM 289 N PHE A 929 19.741 -1.344 -31.873 1.00 54.23 N ATOM 290 CA PHE A 929 18.997 -2.579 -32.091 1.00 21.32 C ATOM 291 C PHE A 929 17.800 -2.340 -33.006 1.00 42.25 C ATOM 292 O PHE A 929 17.677 -2.965 -34.060 1.00 54.14 O ATOM 293 CB PHE A 929 18.524 -3.157 -30.755 1.00 42.31 C ATOM 294 CG PHE A 929 19.641 -3.688 -29.903 1.00 0.34 C ATOM 295 CD1 PHE A 929 20.496 -4.664 -30.387 1.00 62.23 C ATOM 296 CD2 PHE A 929 19.836 -3.210 -28.617 1.00 1.22 C ATOM 297 CE1 PHE A 929 21.524 -5.155 -29.604 1.00 40.05 C ATOM 298 CE2 PHE A 929 20.863 -3.697 -27.829 1.00 53.54 C ATOM 299 CZ PHE A 929 21.708 -4.670 -28.325 1.00 3.35 C ATOM 0 H PHE A 929 19.517 -0.865 -31.000 1.00 54.23 H new ATOM 0 HA PHE A 929 19.663 -3.294 -32.574 1.00 21.32 H new ATOM 0 HB2 PHE A 929 17.992 -2.383 -30.202 1.00 42.31 H new ATOM 0 HB3 PHE A 929 17.811 -3.959 -30.947 1.00 42.31 H new ATOM 0 HD1 PHE A 929 20.358 -5.046 -31.388 1.00 62.23 H new ATOM 0 HD2 PHE A 929 19.178 -2.448 -28.225 1.00 1.22 H new ATOM 0 HE1 PHE A 929 22.183 -5.918 -29.993 1.00 40.05 H new ATOM 0 HE2 PHE A 929 21.004 -3.317 -26.828 1.00 53.54 H new ATOM 0 HZ PHE A 929 22.512 -5.051 -27.713 1.00 3.35 H new ATOM 309 N CYS A 930 16.922 -1.432 -32.596 1.00 52.23 N ATOM 310 CA CYS A 930 15.733 -1.110 -33.378 1.00 43.23 C ATOM 311 C CYS A 930 14.814 -2.321 -33.494 1.00 62.54 C ATOM 312 O CYS A 930 14.429 -2.718 -34.594 1.00 64.15 O ATOM 313 CB CYS A 930 16.131 -0.621 -34.772 1.00 2.13 C ATOM 314 SG CYS A 930 17.400 0.667 -34.768 1.00 23.14 S ATOM 0 H CYS A 930 17.010 -0.906 -31.727 1.00 52.23 H new ATOM 0 HA CYS A 930 15.193 -0.316 -32.862 1.00 43.23 H new ATOM 0 HB2 CYS A 930 16.491 -1.469 -35.354 1.00 2.13 H new ATOM 0 HB3 CYS A 930 15.244 -0.241 -35.279 1.00 2.13 H new ATOM 0 HG CYS A 930 17.671 1.013 -35.991 1.00 23.14 H new ATOM 320 N ASP A 931 14.468 -2.906 -32.353 1.00 14.11 N ATOM 321 CA ASP A 931 13.594 -4.073 -32.326 1.00 60.30 C ATOM 322 C ASP A 931 12.584 -3.970 -31.187 1.00 64.41 C ATOM 323 O ASP A 931 12.751 -4.594 -30.139 1.00 0.44 O ATOM 324 CB ASP A 931 14.420 -5.352 -32.178 1.00 3.23 C ATOM 325 CG ASP A 931 15.403 -5.541 -33.316 1.00 62.23 C ATOM 326 OD1 ASP A 931 15.037 -5.242 -34.472 1.00 45.34 O ATOM 327 OD2 ASP A 931 16.539 -5.988 -33.051 1.00 74.12 O ATOM 0 H ASP A 931 14.779 -2.591 -31.434 1.00 14.11 H new ATOM 0 HA ASP A 931 13.048 -4.109 -33.269 1.00 60.30 H new ATOM 0 HB2 ASP A 931 14.963 -5.323 -31.234 1.00 3.23 H new ATOM 0 HB3 ASP A 931 13.750 -6.211 -32.134 1.00 3.23 H new ATOM 332 N ARG A 932 11.538 -3.179 -31.400 1.00 61.24 N ATOM 333 CA ARG A 932 10.503 -2.993 -30.391 1.00 12.21 C ATOM 334 C ARG A 932 9.896 -4.331 -29.981 1.00 22.53 C ATOM 335 O ARG A 932 9.403 -4.483 -28.863 1.00 63.34 O ATOM 336 CB ARG A 932 9.407 -2.065 -30.919 1.00 3.44 C ATOM 337 CG ARG A 932 8.466 -2.734 -31.907 1.00 11.33 C ATOM 338 CD ARG A 932 9.151 -2.996 -33.239 1.00 21.44 C ATOM 339 NE ARG A 932 8.192 -3.112 -34.334 1.00 63.40 N ATOM 340 CZ ARG A 932 7.504 -2.085 -34.820 1.00 31.41 C ATOM 341 NH1 ARG A 932 7.668 -0.873 -34.310 1.00 50.52 N ATOM 342 NH2 ARG A 932 6.650 -2.271 -35.818 1.00 54.32 N ATOM 0 H ARG A 932 11.385 -2.657 -32.263 1.00 61.24 H new ATOM 0 HA ARG A 932 10.964 -2.539 -29.514 1.00 12.21 H new ATOM 0 HB2 ARG A 932 8.827 -1.686 -30.077 1.00 3.44 H new ATOM 0 HB3 ARG A 932 9.872 -1.204 -31.399 1.00 3.44 H new ATOM 0 HG2 ARG A 932 8.108 -3.675 -31.490 1.00 11.33 H new ATOM 0 HG3 ARG A 932 7.592 -2.102 -32.064 1.00 11.33 H new ATOM 0 HD2 ARG A 932 9.849 -2.187 -33.453 1.00 21.44 H new ATOM 0 HD3 ARG A 932 9.737 -3.913 -33.171 1.00 21.44 H new ATOM 0 HE ARG A 932 8.042 -4.032 -34.748 1.00 63.40 H new ATOM 0 HH11 ARG A 932 8.324 -0.727 -33.542 1.00 50.52 H new ATOM 0 HH12 ARG A 932 7.138 -0.086 -34.685 1.00 50.52 H new ATOM 0 HH21 ARG A 932 6.522 -3.203 -36.212 1.00 54.32 H new ATOM 0 HH22 ARG A 932 6.122 -1.482 -36.191 1.00 54.32 H new ATOM 356 N GLN A 933 9.936 -5.298 -30.893 1.00 1.44 N ATOM 357 CA GLN A 933 9.389 -6.623 -30.625 1.00 41.44 C ATOM 358 C GLN A 933 10.267 -7.385 -29.638 1.00 71.04 C ATOM 359 O GLN A 933 9.774 -7.948 -28.660 1.00 24.22 O ATOM 360 CB GLN A 933 9.258 -7.415 -31.927 1.00 73.21 C ATOM 361 CG GLN A 933 8.426 -6.711 -32.987 1.00 0.10 C ATOM 362 CD GLN A 933 7.921 -7.658 -34.057 1.00 62.24 C ATOM 363 OE1 GLN A 933 6.741 -7.645 -34.408 1.00 31.11 O ATOM 364 NE2 GLN A 933 8.815 -8.487 -34.584 1.00 31.42 N ATOM 0 H GLN A 933 10.341 -5.189 -31.823 1.00 1.44 H new ATOM 0 HA GLN A 933 8.401 -6.499 -30.182 1.00 41.44 H new ATOM 0 HB2 GLN A 933 10.253 -7.607 -32.327 1.00 73.21 H new ATOM 0 HB3 GLN A 933 8.809 -8.384 -31.709 1.00 73.21 H new ATOM 0 HG2 GLN A 933 7.577 -6.221 -32.511 1.00 0.10 H new ATOM 0 HG3 GLN A 933 9.025 -5.929 -33.453 1.00 0.10 H new ATOM 0 HE21 GLN A 933 9.783 -8.464 -34.263 1.00 31.42 H new ATOM 0 HE22 GLN A 933 8.533 -9.147 -35.309 1.00 31.42 H new ATOM 373 N LEU A 934 11.569 -7.400 -29.901 1.00 51.44 N ATOM 374 CA LEU A 934 12.516 -8.094 -29.036 1.00 44.40 C ATOM 375 C LEU A 934 12.483 -7.521 -27.623 1.00 24.14 C ATOM 376 O LEU A 934 12.321 -8.255 -26.649 1.00 24.12 O ATOM 377 CB LEU A 934 13.931 -7.989 -29.608 1.00 42.41 C ATOM 378 CG LEU A 934 14.459 -9.232 -30.325 1.00 42.44 C ATOM 379 CD1 LEU A 934 13.417 -9.774 -31.291 1.00 13.03 C ATOM 380 CD2 LEU A 934 15.754 -8.914 -31.059 1.00 21.31 C ATOM 0 H LEU A 934 11.993 -6.939 -30.706 1.00 51.44 H new ATOM 0 HA LEU A 934 12.226 -9.144 -28.990 1.00 44.40 H new ATOM 0 HB2 LEU A 934 13.958 -7.152 -30.306 1.00 42.41 H new ATOM 0 HB3 LEU A 934 14.614 -7.746 -28.793 1.00 42.41 H new ATOM 0 HG LEU A 934 14.666 -9.998 -29.578 1.00 42.44 H new ATOM 0 HD11 LEU A 934 13.811 -10.658 -31.792 1.00 13.03 H new ATOM 0 HD12 LEU A 934 12.514 -10.040 -30.741 1.00 13.03 H new ATOM 0 HD13 LEU A 934 13.178 -9.013 -32.033 1.00 13.03 H new ATOM 0 HD21 LEU A 934 16.116 -9.810 -31.564 1.00 21.31 H new ATOM 0 HD22 LEU A 934 15.572 -8.131 -31.795 1.00 21.31 H new ATOM 0 HD23 LEU A 934 16.503 -8.573 -30.344 1.00 21.31 H new ATOM 392 N ASN A 935 12.636 -6.205 -27.519 1.00 40.12 N ATOM 393 CA ASN A 935 12.622 -5.533 -26.225 1.00 30.23 C ATOM 394 C ASN A 935 11.348 -5.864 -25.454 1.00 33.52 C ATOM 395 O ASN A 935 11.336 -5.865 -24.222 1.00 44.21 O ATOM 396 CB ASN A 935 12.740 -4.019 -26.411 1.00 74.10 C ATOM 397 CG ASN A 935 13.734 -3.645 -27.493 1.00 71.44 C ATOM 398 OD1 ASN A 935 14.808 -4.237 -27.596 1.00 64.51 O ATOM 399 ND2 ASN A 935 13.379 -2.658 -28.307 1.00 51.13 N ATOM 0 H ASN A 935 12.771 -5.583 -28.316 1.00 40.12 H new ATOM 0 HA ASN A 935 13.477 -5.889 -25.650 1.00 30.23 H new ATOM 0 HB2 ASN A 935 11.762 -3.609 -26.663 1.00 74.10 H new ATOM 0 HB3 ASN A 935 13.044 -3.563 -25.469 1.00 74.10 H new ATOM 0 HD21 ASN A 935 14.007 -2.363 -29.055 1.00 51.13 H new ATOM 0 HD22 ASN A 935 12.478 -2.195 -28.185 1.00 51.13 H new ATOM 406 N LEU A 936 10.276 -6.147 -26.186 1.00 42.45 N ATOM 407 CA LEU A 936 8.996 -6.481 -25.572 1.00 52.34 C ATOM 408 C LEU A 936 9.003 -7.911 -25.043 1.00 34.02 C ATOM 409 O LEU A 936 8.666 -8.156 -23.884 1.00 62.01 O ATOM 410 CB LEU A 936 7.861 -6.305 -26.584 1.00 5.55 C ATOM 411 CG LEU A 936 6.481 -6.006 -25.998 1.00 73.51 C ATOM 412 CD1 LEU A 936 5.997 -7.173 -25.151 1.00 71.21 C ATOM 413 CD2 LEU A 936 6.515 -4.726 -25.176 1.00 70.30 C ATOM 0 H LEU A 936 10.268 -6.152 -27.206 1.00 42.45 H new ATOM 0 HA LEU A 936 8.835 -5.804 -24.733 1.00 52.34 H new ATOM 0 HB2 LEU A 936 8.129 -5.495 -27.263 1.00 5.55 H new ATOM 0 HB3 LEU A 936 7.791 -7.213 -27.183 1.00 5.55 H new ATOM 0 HG LEU A 936 5.781 -5.866 -26.822 1.00 73.51 H new ATOM 0 HD11 LEU A 936 5.013 -6.942 -24.742 1.00 71.21 H new ATOM 0 HD12 LEU A 936 5.932 -8.069 -25.769 1.00 71.21 H new ATOM 0 HD13 LEU A 936 6.698 -7.345 -24.334 1.00 71.21 H new ATOM 0 HD21 LEU A 936 5.524 -4.530 -24.767 1.00 70.30 H new ATOM 0 HD22 LEU A 936 7.229 -4.837 -24.360 1.00 70.30 H new ATOM 0 HD23 LEU A 936 6.817 -3.893 -25.811 1.00 70.30 H new ATOM 425 N ARG A 937 9.390 -8.851 -25.898 1.00 72.52 N ATOM 426 CA ARG A 937 9.442 -10.257 -25.516 1.00 74.51 C ATOM 427 C ARG A 937 10.530 -10.498 -24.474 1.00 14.35 C ATOM 428 O ARG A 937 10.436 -11.422 -23.665 1.00 23.13 O ATOM 429 CB ARG A 937 9.695 -11.133 -26.745 1.00 3.13 C ATOM 430 CG ARG A 937 11.154 -11.180 -27.168 1.00 43.12 C ATOM 431 CD ARG A 937 11.832 -12.456 -26.693 1.00 14.34 C ATOM 432 NE ARG A 937 12.393 -13.223 -27.801 1.00 5.00 N ATOM 433 CZ ARG A 937 11.671 -14.009 -28.592 1.00 11.34 C ATOM 434 NH1 ARG A 937 10.365 -14.130 -28.397 1.00 40.22 N ATOM 435 NH2 ARG A 937 12.255 -14.675 -29.580 1.00 34.04 N ATOM 0 H ARG A 937 9.672 -8.665 -26.860 1.00 72.52 H new ATOM 0 HA ARG A 937 8.480 -10.524 -25.080 1.00 74.51 H new ATOM 0 HB2 ARG A 937 9.353 -12.147 -26.535 1.00 3.13 H new ATOM 0 HB3 ARG A 937 9.096 -10.760 -27.576 1.00 3.13 H new ATOM 0 HG2 ARG A 937 11.221 -11.114 -28.254 1.00 43.12 H new ATOM 0 HG3 ARG A 937 11.679 -10.315 -26.763 1.00 43.12 H new ATOM 0 HD2 ARG A 937 12.625 -12.204 -25.988 1.00 14.34 H new ATOM 0 HD3 ARG A 937 11.111 -13.071 -26.155 1.00 14.34 H new ATOM 0 HE ARG A 937 13.395 -13.151 -27.978 1.00 5.00 H new ATOM 0 HH11 ARG A 937 9.913 -13.619 -27.639 1.00 40.22 H new ATOM 0 HH12 ARG A 937 9.812 -14.734 -29.005 1.00 40.22 H new ATOM 0 HH21 ARG A 937 13.259 -14.584 -29.733 1.00 34.04 H new ATOM 0 HH22 ARG A 937 11.700 -15.278 -30.187 1.00 34.04 H new ATOM 449 N LEU A 938 11.561 -9.661 -24.499 1.00 13.44 N ATOM 450 CA LEU A 938 12.668 -9.782 -23.556 1.00 54.31 C ATOM 451 C LEU A 938 12.249 -9.323 -22.163 1.00 2.31 C ATOM 452 O LEU A 938 12.499 -10.008 -21.170 1.00 62.25 O ATOM 453 CB LEU A 938 13.865 -8.961 -24.038 1.00 24.05 C ATOM 454 CG LEU A 938 15.016 -9.754 -24.658 1.00 4.21 C ATOM 455 CD1 LEU A 938 15.497 -10.834 -23.702 1.00 33.34 C ATOM 456 CD2 LEU A 938 14.589 -10.365 -25.985 1.00 0.34 C ATOM 0 H LEU A 938 11.654 -8.891 -25.162 1.00 13.44 H new ATOM 0 HA LEU A 938 12.954 -10.832 -23.501 1.00 54.31 H new ATOM 0 HB2 LEU A 938 13.512 -8.237 -24.772 1.00 24.05 H new ATOM 0 HB3 LEU A 938 14.255 -8.393 -23.193 1.00 24.05 H new ATOM 0 HG LEU A 938 15.843 -9.070 -24.845 1.00 4.21 H new ATOM 0 HD11 LEU A 938 16.316 -11.388 -24.161 1.00 33.34 H new ATOM 0 HD12 LEU A 938 15.844 -10.373 -22.777 1.00 33.34 H new ATOM 0 HD13 LEU A 938 14.676 -11.517 -23.482 1.00 33.34 H new ATOM 0 HD21 LEU A 938 15.421 -10.926 -26.412 1.00 0.34 H new ATOM 0 HD22 LEU A 938 13.745 -11.035 -25.822 1.00 0.34 H new ATOM 0 HD23 LEU A 938 14.295 -9.572 -26.673 1.00 0.34 H new ATOM 468 N LEU A 939 11.610 -8.160 -22.096 1.00 75.40 N ATOM 469 CA LEU A 939 11.153 -7.610 -20.824 1.00 65.12 C ATOM 470 C LEU A 939 10.367 -8.650 -20.032 1.00 2.42 C ATOM 471 O LEU A 939 10.701 -8.957 -18.887 1.00 50.22 O ATOM 472 CB LEU A 939 10.288 -6.372 -21.063 1.00 15.01 C ATOM 473 CG LEU A 939 11.035 -5.043 -21.181 1.00 34.02 C ATOM 474 CD1 LEU A 939 10.133 -3.975 -21.780 1.00 71.23 C ATOM 475 CD2 LEU A 939 11.556 -4.602 -19.821 1.00 14.32 C ATOM 0 H LEU A 939 11.397 -7.580 -22.907 1.00 75.40 H new ATOM 0 HA LEU A 939 12.030 -7.325 -20.243 1.00 65.12 H new ATOM 0 HB2 LEU A 939 9.714 -6.525 -21.977 1.00 15.01 H new ATOM 0 HB3 LEU A 939 9.571 -6.291 -20.246 1.00 15.01 H new ATOM 0 HG LEU A 939 11.887 -5.185 -21.846 1.00 34.02 H new ATOM 0 HD11 LEU A 939 10.682 -3.036 -21.856 1.00 71.23 H new ATOM 0 HD12 LEU A 939 9.809 -4.287 -22.773 1.00 71.23 H new ATOM 0 HD13 LEU A 939 9.261 -3.835 -21.141 1.00 71.23 H new ATOM 0 HD21 LEU A 939 12.085 -3.655 -19.924 1.00 14.32 H new ATOM 0 HD22 LEU A 939 10.719 -4.478 -19.134 1.00 14.32 H new ATOM 0 HD23 LEU A 939 12.238 -5.357 -19.430 1.00 14.32 H new ATOM 487 N LYS A 940 9.322 -9.190 -20.649 1.00 11.10 N ATOM 488 CA LYS A 940 8.489 -10.198 -20.004 1.00 60.00 C ATOM 489 C LYS A 940 9.308 -11.435 -19.649 1.00 42.14 C ATOM 490 O LYS A 940 8.950 -12.192 -18.747 1.00 72.23 O ATOM 491 CB LYS A 940 7.325 -10.589 -20.918 1.00 4.30 C ATOM 492 CG LYS A 940 6.598 -9.398 -21.519 1.00 70.50 C ATOM 493 CD LYS A 940 6.125 -8.434 -20.445 1.00 14.32 C ATOM 494 CE LYS A 940 4.660 -8.066 -20.631 1.00 65.34 C ATOM 495 NZ LYS A 940 3.752 -9.109 -20.079 1.00 2.04 N ATOM 0 H LYS A 940 9.031 -8.946 -21.596 1.00 11.10 H new ATOM 0 HA LYS A 940 8.092 -9.770 -19.083 1.00 60.00 H new ATOM 0 HB2 LYS A 940 7.702 -11.218 -21.724 1.00 4.30 H new ATOM 0 HB3 LYS A 940 6.614 -11.190 -20.351 1.00 4.30 H new ATOM 0 HG2 LYS A 940 7.260 -8.877 -22.210 1.00 70.50 H new ATOM 0 HG3 LYS A 940 5.743 -9.747 -22.098 1.00 70.50 H new ATOM 0 HD2 LYS A 940 6.266 -8.885 -19.463 1.00 14.32 H new ATOM 0 HD3 LYS A 940 6.734 -7.531 -20.472 1.00 14.32 H new ATOM 0 HE2 LYS A 940 4.460 -7.113 -20.140 1.00 65.34 H new ATOM 0 HE3 LYS A 940 4.452 -7.928 -21.692 1.00 65.34 H new ATOM 0 HZ1 LYS A 940 2.763 -8.821 -20.225 1.00 2.04 H new ATOM 0 HZ2 LYS A 940 3.925 -10.012 -20.565 1.00 2.04 H new ATOM 0 HZ3 LYS A 940 3.932 -9.223 -19.061 1.00 2.04 H new ATOM 509 N LYS A 941 10.411 -11.634 -20.364 1.00 13.41 N ATOM 510 CA LYS A 941 11.283 -12.777 -20.124 1.00 2.25 C ATOM 511 C LYS A 941 12.106 -12.576 -18.855 1.00 42.11 C ATOM 512 O LYS A 941 12.296 -13.507 -18.072 1.00 64.44 O ATOM 513 CB LYS A 941 12.214 -12.995 -21.319 1.00 13.42 C ATOM 514 CG LYS A 941 12.885 -14.357 -21.327 1.00 2.15 C ATOM 515 CD LYS A 941 14.384 -14.239 -21.549 1.00 13.33 C ATOM 516 CE LYS A 941 15.150 -15.281 -20.749 1.00 32.05 C ATOM 517 NZ LYS A 941 16.191 -15.957 -21.571 1.00 52.13 N ATOM 0 H LYS A 941 10.722 -11.017 -21.115 1.00 13.41 H new ATOM 0 HA LYS A 941 10.656 -13.659 -19.994 1.00 2.25 H new ATOM 0 HB2 LYS A 941 11.643 -12.875 -22.240 1.00 13.42 H new ATOM 0 HB3 LYS A 941 12.982 -12.221 -21.317 1.00 13.42 H new ATOM 0 HG2 LYS A 941 12.695 -14.863 -20.380 1.00 2.15 H new ATOM 0 HG3 LYS A 941 12.448 -14.975 -22.111 1.00 2.15 H new ATOM 0 HD2 LYS A 941 14.606 -14.358 -22.610 1.00 13.33 H new ATOM 0 HD3 LYS A 941 14.718 -13.242 -21.263 1.00 13.33 H new ATOM 0 HE2 LYS A 941 15.620 -14.805 -19.888 1.00 32.05 H new ATOM 0 HE3 LYS A 941 14.454 -16.025 -20.361 1.00 32.05 H new ATOM 0 HZ1 LYS A 941 16.690 -16.660 -20.989 1.00 52.13 H new ATOM 0 HZ2 LYS A 941 15.741 -16.433 -22.379 1.00 52.13 H new ATOM 0 HZ3 LYS A 941 16.870 -15.251 -21.920 1.00 52.13 H new ATOM 531 N HIS A 942 12.591 -11.354 -18.657 1.00 64.22 N ATOM 532 CA HIS A 942 13.393 -11.031 -17.482 1.00 15.01 C ATOM 533 C HIS A 942 12.536 -10.374 -16.404 1.00 55.43 C ATOM 534 O HIS A 942 13.044 -9.945 -15.369 1.00 71.32 O ATOM 535 CB HIS A 942 14.549 -10.107 -17.865 1.00 55.50 C ATOM 536 CG HIS A 942 15.432 -10.665 -18.937 1.00 63.43 C ATOM 537 ND1 HIS A 942 16.381 -11.637 -18.700 1.00 23.33 N ATOM 538 CD2 HIS A 942 15.506 -10.385 -20.259 1.00 42.23 C ATOM 539 CE1 HIS A 942 17.002 -11.929 -19.829 1.00 12.01 C ATOM 540 NE2 HIS A 942 16.489 -11.183 -20.791 1.00 1.02 N ATOM 0 H HIS A 942 12.443 -10.572 -19.295 1.00 64.22 H new ATOM 0 HA HIS A 942 13.799 -11.961 -17.083 1.00 15.01 H new ATOM 0 HB2 HIS A 942 14.144 -9.152 -18.200 1.00 55.50 H new ATOM 0 HB3 HIS A 942 15.151 -9.905 -16.979 1.00 55.50 H new ATOM 0 HD1 HIS A 942 16.574 -12.064 -17.794 1.00 23.33 H new ATOM 0 HD2 HIS A 942 14.904 -9.667 -20.796 1.00 42.23 H new ATOM 0 HE1 HIS A 942 17.794 -12.654 -19.946 1.00 12.01 H new ATOM 548 N ASN A 943 11.233 -10.297 -16.656 1.00 52.00 N ATOM 549 CA ASN A 943 10.305 -9.690 -15.708 1.00 24.42 C ATOM 550 C ASN A 943 10.576 -8.196 -15.562 1.00 63.12 C ATOM 551 O ASN A 943 10.884 -7.714 -14.472 1.00 1.30 O ATOM 552 CB ASN A 943 10.417 -10.376 -14.344 1.00 52.43 C ATOM 553 CG ASN A 943 10.589 -11.877 -14.464 1.00 71.53 C ATOM 554 OD1 ASN A 943 9.688 -12.582 -14.919 1.00 71.33 O ATOM 555 ND2 ASN A 943 11.750 -12.374 -14.055 1.00 65.31 N ATOM 0 H ASN A 943 10.796 -10.647 -17.508 1.00 52.00 H new ATOM 0 HA ASN A 943 9.293 -9.821 -16.092 1.00 24.42 H new ATOM 0 HB2 ASN A 943 11.264 -9.959 -13.799 1.00 52.43 H new ATOM 0 HB3 ASN A 943 9.523 -10.161 -13.758 1.00 52.43 H new ATOM 0 HD21 ASN A 943 11.923 -13.378 -14.111 1.00 65.31 H new ATOM 0 HD22 ASN A 943 12.469 -11.752 -13.685 1.00 65.31 H new ATOM 562 N TYR A 944 10.459 -7.469 -16.668 1.00 1.15 N ATOM 563 CA TYR A 944 10.693 -6.030 -16.664 1.00 11.30 C ATOM 564 C TYR A 944 12.112 -5.709 -16.204 1.00 71.41 C ATOM 565 O TYR A 944 12.317 -4.879 -15.320 1.00 0.10 O ATOM 566 CB TYR A 944 9.680 -5.330 -15.756 1.00 43.40 C ATOM 567 CG TYR A 944 8.378 -4.995 -16.447 1.00 34.13 C ATOM 568 CD1 TYR A 944 7.785 -5.893 -17.326 1.00 54.21 C ATOM 569 CD2 TYR A 944 7.740 -3.781 -16.221 1.00 22.41 C ATOM 570 CE1 TYR A 944 6.595 -5.591 -17.960 1.00 73.31 C ATOM 571 CE2 TYR A 944 6.549 -3.472 -16.849 1.00 65.23 C ATOM 572 CZ TYR A 944 5.981 -4.380 -17.718 1.00 72.10 C ATOM 573 OH TYR A 944 4.795 -4.075 -18.347 1.00 65.20 O ATOM 0 H TYR A 944 10.204 -7.853 -17.578 1.00 1.15 H new ATOM 0 HA TYR A 944 10.570 -5.665 -17.684 1.00 11.30 H new ATOM 0 HB2 TYR A 944 9.472 -5.969 -14.897 1.00 43.40 H new ATOM 0 HB3 TYR A 944 10.124 -4.412 -15.370 1.00 43.40 H new ATOM 0 HD1 TYR A 944 8.262 -6.843 -17.517 1.00 54.21 H new ATOM 0 HD2 TYR A 944 8.183 -3.067 -15.543 1.00 22.41 H new ATOM 0 HE1 TYR A 944 6.148 -6.300 -18.642 1.00 73.31 H new ATOM 0 HE2 TYR A 944 6.065 -2.525 -16.661 1.00 65.23 H new ATOM 0 HH TYR A 944 4.495 -3.185 -18.066 1.00 65.20 H new ATOM 583 N ASN A 945 13.088 -6.375 -16.812 1.00 44.03 N ATOM 584 CA ASN A 945 14.489 -6.162 -16.466 1.00 61.24 C ATOM 585 C ASN A 945 15.281 -5.678 -17.677 1.00 60.43 C ATOM 586 O ASN A 945 15.910 -6.472 -18.378 1.00 30.33 O ATOM 587 CB ASN A 945 15.104 -7.454 -15.924 1.00 11.02 C ATOM 588 CG ASN A 945 16.161 -7.192 -14.869 1.00 25.31 C ATOM 589 OD1 ASN A 945 16.724 -6.100 -14.796 1.00 3.12 O ATOM 590 ND2 ASN A 945 16.437 -8.197 -14.045 1.00 74.13 N ATOM 0 H ASN A 945 12.935 -7.066 -17.546 1.00 44.03 H new ATOM 0 HA ASN A 945 14.534 -5.394 -15.694 1.00 61.24 H new ATOM 0 HB2 ASN A 945 14.317 -8.078 -15.499 1.00 11.02 H new ATOM 0 HB3 ASN A 945 15.547 -8.016 -16.747 1.00 11.02 H new ATOM 0 HD21 ASN A 945 17.140 -8.080 -13.316 1.00 74.13 H new ATOM 0 HD22 ASN A 945 15.946 -9.086 -14.142 1.00 74.13 H new ATOM 597 N ILE A 946 15.246 -4.372 -17.917 1.00 13.01 N ATOM 598 CA ILE A 946 15.961 -3.782 -19.042 1.00 22.53 C ATOM 599 C ILE A 946 17.433 -4.182 -19.027 1.00 73.25 C ATOM 600 O ILE A 946 18.032 -4.424 -20.076 1.00 41.31 O ATOM 601 CB ILE A 946 15.858 -2.246 -19.031 1.00 42.14 C ATOM 602 CG1 ILE A 946 16.643 -1.653 -20.203 1.00 52.54 C ATOM 603 CG2 ILE A 946 16.368 -1.690 -17.710 1.00 53.32 C ATOM 604 CD1 ILE A 946 16.139 -2.102 -21.557 1.00 51.21 C ATOM 0 H ILE A 946 14.730 -3.702 -17.347 1.00 13.01 H new ATOM 0 HA ILE A 946 15.492 -4.163 -19.949 1.00 22.53 H new ATOM 0 HB ILE A 946 14.810 -1.966 -19.140 1.00 42.14 H new ATOM 0 HG12 ILE A 946 16.595 -0.565 -20.149 1.00 52.54 H new ATOM 0 HG13 ILE A 946 17.692 -1.931 -20.105 1.00 52.54 H new ATOM 0 HG21 ILE A 946 16.289 -0.603 -17.718 1.00 53.32 H new ATOM 0 HG22 ILE A 946 15.771 -2.092 -16.891 1.00 53.32 H new ATOM 0 HG23 ILE A 946 17.411 -1.977 -17.573 1.00 53.32 H new ATOM 0 HD11 ILE A 946 16.742 -1.643 -22.340 1.00 51.21 H new ATOM 0 HD12 ILE A 946 16.213 -3.187 -21.631 1.00 51.21 H new ATOM 0 HD13 ILE A 946 15.098 -1.800 -21.676 1.00 51.21 H new ATOM 616 N LEU A 947 18.009 -4.252 -17.833 1.00 25.12 N ATOM 617 CA LEU A 947 19.412 -4.625 -17.681 1.00 14.03 C ATOM 618 C LEU A 947 19.708 -5.936 -18.402 1.00 52.23 C ATOM 619 O LEU A 947 20.637 -6.016 -19.205 1.00 74.35 O ATOM 620 CB LEU A 947 19.768 -4.754 -16.199 1.00 14.34 C ATOM 621 CG LEU A 947 19.421 -3.553 -15.318 1.00 53.53 C ATOM 622 CD1 LEU A 947 19.794 -3.827 -13.870 1.00 12.03 C ATOM 623 CD2 LEU A 947 20.123 -2.300 -15.824 1.00 34.54 C ATOM 0 H LEU A 947 17.527 -4.056 -16.956 1.00 25.12 H new ATOM 0 HA LEU A 947 20.022 -3.840 -18.128 1.00 14.03 H new ATOM 0 HB2 LEU A 947 19.260 -5.631 -15.799 1.00 14.34 H new ATOM 0 HB3 LEU A 947 20.839 -4.941 -16.118 1.00 14.34 H new ATOM 0 HG LEU A 947 18.345 -3.388 -15.369 1.00 53.53 H new ATOM 0 HD11 LEU A 947 19.540 -2.961 -13.259 1.00 12.03 H new ATOM 0 HD12 LEU A 947 19.245 -4.698 -13.512 1.00 12.03 H new ATOM 0 HD13 LEU A 947 20.865 -4.019 -13.800 1.00 12.03 H new ATOM 0 HD21 LEU A 947 19.865 -1.455 -15.185 1.00 34.54 H new ATOM 0 HD22 LEU A 947 21.202 -2.454 -15.803 1.00 34.54 H new ATOM 0 HD23 LEU A 947 19.806 -2.093 -16.846 1.00 34.54 H new ATOM 635 N GLN A 948 18.911 -6.959 -18.111 1.00 53.32 N ATOM 636 CA GLN A 948 19.087 -8.265 -18.734 1.00 22.31 C ATOM 637 C GLN A 948 18.628 -8.242 -20.188 1.00 41.21 C ATOM 638 O GLN A 948 19.171 -8.954 -21.033 1.00 1.10 O ATOM 639 CB GLN A 948 18.312 -9.332 -17.959 1.00 75.00 C ATOM 640 CG GLN A 948 18.725 -9.445 -16.501 1.00 33.45 C ATOM 641 CD GLN A 948 20.099 -10.061 -16.330 1.00 23.54 C ATOM 642 OE1 GLN A 948 20.322 -11.219 -16.685 1.00 60.22 O ATOM 643 NE2 GLN A 948 21.031 -9.289 -15.783 1.00 12.11 N ATOM 0 H GLN A 948 18.137 -6.908 -17.448 1.00 53.32 H new ATOM 0 HA GLN A 948 20.149 -8.509 -18.712 1.00 22.31 H new ATOM 0 HB2 GLN A 948 17.247 -9.104 -18.010 1.00 75.00 H new ATOM 0 HB3 GLN A 948 18.455 -10.297 -18.444 1.00 75.00 H new ATOM 0 HG2 GLN A 948 18.716 -8.454 -16.047 1.00 33.45 H new ATOM 0 HG3 GLN A 948 17.992 -10.048 -15.965 1.00 33.45 H new ATOM 0 HE21 GLN A 948 20.803 -8.335 -15.503 1.00 12.11 H new ATOM 0 HE22 GLN A 948 21.975 -9.650 -15.643 1.00 12.11 H new ATOM 652 N VAL A 949 17.624 -7.419 -20.473 1.00 41.44 N ATOM 653 CA VAL A 949 17.092 -7.302 -21.826 1.00 2.41 C ATOM 654 C VAL A 949 18.161 -6.812 -22.796 1.00 61.35 C ATOM 655 O VAL A 949 18.422 -7.444 -23.820 1.00 74.33 O ATOM 656 CB VAL A 949 15.890 -6.339 -21.875 1.00 65.40 C ATOM 657 CG1 VAL A 949 15.428 -6.136 -23.310 1.00 13.44 C ATOM 658 CG2 VAL A 949 14.754 -6.862 -21.009 1.00 4.12 C ATOM 0 H VAL A 949 17.163 -6.823 -19.785 1.00 41.44 H new ATOM 0 HA VAL A 949 16.763 -8.298 -22.124 1.00 2.41 H new ATOM 0 HB VAL A 949 16.203 -5.373 -21.479 1.00 65.40 H new ATOM 0 HG11 VAL A 949 14.579 -5.453 -23.326 1.00 13.44 H new ATOM 0 HG12 VAL A 949 16.243 -5.715 -23.898 1.00 13.44 H new ATOM 0 HG13 VAL A 949 15.131 -7.094 -23.736 1.00 13.44 H new ATOM 0 HG21 VAL A 949 13.913 -6.170 -21.055 1.00 4.12 H new ATOM 0 HG22 VAL A 949 14.439 -7.840 -21.373 1.00 4.12 H new ATOM 0 HG23 VAL A 949 15.094 -6.951 -19.977 1.00 4.12 H new ATOM 668 N VAL A 950 18.779 -5.682 -22.468 1.00 15.14 N ATOM 669 CA VAL A 950 19.821 -5.108 -23.309 1.00 43.43 C ATOM 670 C VAL A 950 21.015 -6.049 -23.425 1.00 0.24 C ATOM 671 O VAL A 950 21.638 -6.154 -24.482 1.00 11.12 O ATOM 672 CB VAL A 950 20.302 -3.751 -22.760 1.00 62.22 C ATOM 673 CG1 VAL A 950 21.425 -3.194 -23.622 1.00 53.31 C ATOM 674 CG2 VAL A 950 19.143 -2.769 -22.679 1.00 4.05 C ATOM 0 H VAL A 950 18.575 -5.146 -21.625 1.00 15.14 H new ATOM 0 HA VAL A 950 19.384 -4.958 -24.296 1.00 43.43 H new ATOM 0 HB VAL A 950 20.691 -3.903 -21.753 1.00 62.22 H new ATOM 0 HG11 VAL A 950 21.752 -2.235 -23.219 1.00 53.31 H new ATOM 0 HG12 VAL A 950 22.263 -3.892 -23.624 1.00 53.31 H new ATOM 0 HG13 VAL A 950 21.066 -3.055 -24.642 1.00 53.31 H new ATOM 0 HG21 VAL A 950 19.500 -1.816 -22.289 1.00 4.05 H new ATOM 0 HG22 VAL A 950 18.722 -2.620 -23.673 1.00 4.05 H new ATOM 0 HG23 VAL A 950 18.375 -3.167 -22.016 1.00 4.05 H new ATOM 684 N THR A 951 21.330 -6.734 -22.329 1.00 51.43 N ATOM 685 CA THR A 951 22.449 -7.666 -22.307 1.00 25.35 C ATOM 686 C THR A 951 22.181 -8.870 -23.203 1.00 40.51 C ATOM 687 O THR A 951 23.104 -9.442 -23.781 1.00 42.23 O ATOM 688 CB THR A 951 22.740 -8.160 -20.877 1.00 31.52 C ATOM 689 OG1 THR A 951 23.081 -7.053 -20.035 1.00 53.05 O ATOM 690 CG2 THR A 951 23.875 -9.174 -20.875 1.00 13.45 C ATOM 0 H THR A 951 20.825 -6.660 -21.446 1.00 51.43 H new ATOM 0 HA THR A 951 23.318 -7.125 -22.681 1.00 25.35 H new ATOM 0 HB THR A 951 21.841 -8.643 -20.494 1.00 31.52 H new ATOM 0 HG1 THR A 951 22.262 -6.631 -19.702 1.00 53.05 H new ATOM 0 HG21 THR A 951 24.062 -9.508 -19.855 1.00 13.45 H new ATOM 0 HG22 THR A 951 23.600 -10.029 -21.492 1.00 13.45 H new ATOM 0 HG23 THR A 951 24.777 -8.712 -21.277 1.00 13.45 H new ATOM 698 N GLU A 952 20.911 -9.247 -23.314 1.00 63.44 N ATOM 699 CA GLU A 952 20.523 -10.384 -24.142 1.00 11.34 C ATOM 700 C GLU A 952 20.636 -10.041 -25.624 1.00 71.13 C ATOM 701 O GLU A 952 21.281 -10.757 -26.391 1.00 64.12 O ATOM 702 CB GLU A 952 19.092 -10.816 -23.814 1.00 50.33 C ATOM 703 CG GLU A 952 18.706 -12.154 -24.422 1.00 2.12 C ATOM 704 CD GLU A 952 18.154 -12.019 -25.828 1.00 11.05 C ATOM 705 OE1 GLU A 952 17.405 -11.052 -26.080 1.00 12.14 O ATOM 706 OE2 GLU A 952 18.470 -12.880 -26.675 1.00 42.30 O ATOM 0 H GLU A 952 20.135 -8.783 -22.842 1.00 63.44 H new ATOM 0 HA GLU A 952 21.203 -11.208 -23.925 1.00 11.34 H new ATOM 0 HB2 GLU A 952 18.977 -10.872 -22.731 1.00 50.33 H new ATOM 0 HB3 GLU A 952 18.400 -10.052 -24.169 1.00 50.33 H new ATOM 0 HG2 GLU A 952 19.579 -12.806 -24.440 1.00 2.12 H new ATOM 0 HG3 GLU A 952 17.961 -12.636 -23.788 1.00 2.12 H new ATOM 713 N LEU A 953 20.004 -8.942 -26.021 1.00 74.43 N ATOM 714 CA LEU A 953 20.032 -8.504 -27.412 1.00 52.33 C ATOM 715 C LEU A 953 21.467 -8.364 -27.910 1.00 72.23 C ATOM 716 O LEU A 953 21.773 -8.695 -29.057 1.00 34.54 O ATOM 717 CB LEU A 953 19.296 -7.171 -27.562 1.00 60.04 C ATOM 718 CG LEU A 953 17.807 -7.261 -27.897 1.00 14.45 C ATOM 719 CD1 LEU A 953 17.104 -8.221 -26.950 1.00 30.22 C ATOM 720 CD2 LEU A 953 17.163 -5.883 -27.836 1.00 73.14 C ATOM 0 H LEU A 953 19.466 -8.338 -25.399 1.00 74.43 H new ATOM 0 HA LEU A 953 19.530 -9.260 -28.016 1.00 52.33 H new ATOM 0 HB2 LEU A 953 19.406 -6.612 -26.633 1.00 60.04 H new ATOM 0 HB3 LEU A 953 19.789 -6.592 -28.343 1.00 60.04 H new ATOM 0 HG LEU A 953 17.705 -7.644 -28.912 1.00 14.45 H new ATOM 0 HD11 LEU A 953 16.045 -8.272 -27.204 1.00 30.22 H new ATOM 0 HD12 LEU A 953 17.547 -9.212 -27.042 1.00 30.22 H new ATOM 0 HD13 LEU A 953 17.215 -7.867 -25.925 1.00 30.22 H new ATOM 0 HD21 LEU A 953 16.103 -5.966 -28.077 1.00 73.14 H new ATOM 0 HD22 LEU A 953 17.276 -5.473 -26.832 1.00 73.14 H new ATOM 0 HD23 LEU A 953 17.648 -5.223 -28.555 1.00 73.14 H new ATOM 732 N LEU A 954 22.344 -7.874 -27.041 1.00 71.03 N ATOM 733 CA LEU A 954 23.748 -7.693 -27.392 1.00 4.24 C ATOM 734 C LEU A 954 24.455 -9.038 -27.524 1.00 32.25 C ATOM 735 O LEU A 954 25.007 -9.359 -28.575 1.00 43.34 O ATOM 736 CB LEU A 954 24.451 -6.836 -26.337 1.00 21.31 C ATOM 737 CG LEU A 954 25.647 -6.017 -26.825 1.00 33.52 C ATOM 738 CD1 LEU A 954 25.185 -4.886 -27.731 1.00 22.44 C ATOM 739 CD2 LEU A 954 26.436 -5.470 -25.644 1.00 55.23 C ATOM 0 H LEU A 954 22.108 -7.595 -26.089 1.00 71.03 H new ATOM 0 HA LEU A 954 23.793 -7.184 -28.355 1.00 4.24 H new ATOM 0 HB2 LEU A 954 23.719 -6.152 -25.907 1.00 21.31 H new ATOM 0 HB3 LEU A 954 24.788 -7.490 -25.532 1.00 21.31 H new ATOM 0 HG LEU A 954 26.301 -6.671 -27.401 1.00 33.52 H new ATOM 0 HD11 LEU A 954 26.049 -4.314 -28.069 1.00 22.44 H new ATOM 0 HD12 LEU A 954 24.665 -5.301 -28.594 1.00 22.44 H new ATOM 0 HD13 LEU A 954 24.509 -4.231 -27.180 1.00 22.44 H new ATOM 0 HD21 LEU A 954 27.283 -4.890 -26.010 1.00 55.23 H new ATOM 0 HD22 LEU A 954 25.792 -4.830 -25.041 1.00 55.23 H new ATOM 0 HD23 LEU A 954 26.799 -6.297 -25.034 1.00 55.23 H new