USER MOD reduce.3.24.130724 H: found=0, std=0, add=327, rem=0, adj=8 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 27:sc= 0.0409 USER MOD Single : A 921 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 923 HIS :FLIP no HD1:sc= -0.691 F(o=-1.3,f=-0.69) 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= -0.097 K(o=-0.097,f=-1.1) USER MOD Single : A 935 ASN : amide:sc= -4.85 K(o=-4.8,f=-6.8!) USER MOD Single : A 940 LYS NZ :NH3+ 146:sc= -0.271 (180deg=-1.23) USER MOD Single : A 941 LYS NZ :NH3+ -119:sc= 0.985 (180deg=-0.63) USER MOD Single : A 942 HIS : no HE2:sc= -4.56! C(o=-4.6!,f=-6.4!) USER MOD Single : A 943 ASN : amide:sc= -0.38 X(o=-0.38,f=-0.38) USER MOD Single : A 944 TYR OH : rot 180:sc= 0 USER MOD Single : A 945 ASN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 948 GLN : amide:sc= -0.0537 X(o=-0.054,f=-0.054) USER MOD Single : A 951 THR OG1 : rot 87:sc= 0.636 USER MOD ----------------------------------------------------------------- ATOM 114 N THR A 917 8.073 1.718 -19.598 1.00 1.10 N ATOM 115 CA THR A 917 8.591 0.864 -20.660 1.00 11.44 C ATOM 116 C THR A 917 9.154 1.695 -21.807 1.00 61.33 C ATOM 117 O THR A 917 10.239 1.414 -22.315 1.00 24.22 O ATOM 118 CB THR A 917 7.500 -0.075 -21.208 1.00 10.24 C ATOM 119 OG1 THR A 917 7.022 -0.932 -20.165 1.00 24.13 O ATOM 120 CG2 THR A 917 8.037 -0.916 -22.356 1.00 53.42 C ATOM 0 HA THR A 917 9.390 0.264 -20.223 1.00 11.44 H new ATOM 0 HB THR A 917 6.678 0.537 -21.580 1.00 10.24 H new ATOM 0 HG1 THR A 917 7.146 -0.493 -19.298 1.00 24.13 H new ATOM 0 HG21 THR A 917 7.249 -1.571 -22.727 1.00 53.42 H new ATOM 0 HG22 THR A 917 8.373 -0.262 -23.160 1.00 53.42 H new ATOM 0 HG23 THR A 917 8.875 -1.519 -22.005 1.00 53.42 H new ATOM 128 N ALA A 918 8.410 2.719 -22.212 1.00 33.24 N ATOM 129 CA ALA A 918 8.837 3.592 -23.298 1.00 33.31 C ATOM 130 C ALA A 918 10.255 4.101 -23.067 1.00 44.15 C ATOM 131 O ALA A 918 10.992 4.365 -24.017 1.00 41.12 O ATOM 132 CB ALA A 918 7.872 4.759 -23.447 1.00 44.20 C ATOM 0 H ALA A 918 7.508 2.964 -21.804 1.00 33.24 H new ATOM 0 HA ALA A 918 8.833 3.012 -24.221 1.00 33.31 H new ATOM 0 HB1 ALA A 918 8.203 5.403 -24.262 1.00 44.20 H new ATOM 0 HB2 ALA A 918 6.874 4.380 -23.667 1.00 44.20 H new ATOM 0 HB3 ALA A 918 7.847 5.331 -22.520 1.00 44.20 H new ATOM 138 N ALA A 919 10.632 4.238 -21.800 1.00 73.52 N ATOM 139 CA ALA A 919 11.963 4.714 -21.446 1.00 13.25 C ATOM 140 C ALA A 919 13.001 3.609 -21.602 1.00 65.14 C ATOM 141 O ALA A 919 14.145 3.867 -21.980 1.00 23.33 O ATOM 142 CB ALA A 919 11.970 5.249 -20.021 1.00 55.43 C ATOM 0 H ALA A 919 10.034 4.026 -21.001 1.00 73.52 H new ATOM 0 HA ALA A 919 12.226 5.522 -22.128 1.00 13.25 H new ATOM 0 HB1 ALA A 919 12.970 5.601 -19.770 1.00 55.43 H new ATOM 0 HB2 ALA A 919 11.263 6.075 -19.939 1.00 55.43 H new ATOM 0 HB3 ALA A 919 11.681 4.455 -19.333 1.00 55.43 H new ATOM 148 N LEU A 920 12.597 2.378 -21.310 1.00 61.30 N ATOM 149 CA LEU A 920 13.494 1.232 -21.418 1.00 53.10 C ATOM 150 C LEU A 920 13.755 0.881 -22.879 1.00 42.12 C ATOM 151 O LEU A 920 14.904 0.747 -23.299 1.00 40.35 O ATOM 152 CB LEU A 920 12.900 0.025 -20.690 1.00 24.31 C ATOM 153 CG LEU A 920 12.237 0.313 -19.343 1.00 33.22 C ATOM 154 CD1 LEU A 920 11.650 -0.961 -18.753 1.00 44.44 C ATOM 155 CD2 LEU A 920 13.235 0.938 -18.379 1.00 51.34 C ATOM 0 H LEU A 920 11.654 2.147 -20.997 1.00 61.30 H new ATOM 0 HA LEU A 920 14.443 1.499 -20.953 1.00 53.10 H new ATOM 0 HB2 LEU A 920 12.162 -0.441 -21.343 1.00 24.31 H new ATOM 0 HB3 LEU A 920 13.693 -0.706 -20.533 1.00 24.31 H new ATOM 0 HG LEU A 920 11.425 1.022 -19.505 1.00 33.22 H new ATOM 0 HD11 LEU A 920 11.182 -0.736 -17.794 1.00 44.44 H new ATOM 0 HD12 LEU A 920 10.903 -1.367 -19.435 1.00 44.44 H new ATOM 0 HD13 LEU A 920 12.444 -1.694 -18.607 1.00 44.44 H new ATOM 0 HD21 LEU A 920 12.745 1.136 -17.426 1.00 51.34 H new ATOM 0 HD22 LEU A 920 14.068 0.253 -18.223 1.00 51.34 H new ATOM 0 HD23 LEU A 920 13.607 1.873 -18.797 1.00 51.34 H new ATOM 167 N MET A 921 12.681 0.735 -23.649 1.00 4.43 N ATOM 168 CA MET A 921 12.795 0.404 -25.064 1.00 65.51 C ATOM 169 C MET A 921 13.717 1.386 -25.780 1.00 71.23 C ATOM 170 O MET A 921 14.437 1.013 -26.706 1.00 3.32 O ATOM 171 CB MET A 921 11.415 0.407 -25.724 1.00 0.54 C ATOM 172 CG MET A 921 10.598 1.651 -25.415 1.00 53.41 C ATOM 173 SD MET A 921 9.582 2.178 -26.808 1.00 54.24 S ATOM 174 CE MET A 921 8.245 0.989 -26.722 1.00 23.43 C ATOM 0 H MET A 921 11.723 0.841 -23.316 1.00 4.43 H new ATOM 0 HA MET A 921 13.225 -0.594 -25.144 1.00 65.51 H new ATOM 0 HB2 MET A 921 11.537 0.321 -26.804 1.00 0.54 H new ATOM 0 HB3 MET A 921 10.862 -0.473 -25.395 1.00 0.54 H new ATOM 0 HG2 MET A 921 9.956 1.455 -24.556 1.00 53.41 H new ATOM 0 HG3 MET A 921 11.270 2.462 -25.133 1.00 53.41 H new ATOM 0 HE1 MET A 921 7.532 1.185 -27.523 1.00 23.43 H new ATOM 0 HE2 MET A 921 8.646 -0.018 -26.832 1.00 23.43 H new ATOM 0 HE3 MET A 921 7.742 1.076 -25.759 1.00 23.43 H new ATOM 184 N ALA A 922 13.688 2.642 -25.346 1.00 70.51 N ATOM 185 CA ALA A 922 14.522 3.676 -25.945 1.00 11.20 C ATOM 186 C ALA A 922 15.995 3.446 -25.627 1.00 4.10 C ATOM 187 O ALA A 922 16.875 3.824 -26.402 1.00 14.20 O ATOM 188 CB ALA A 922 14.084 5.051 -25.463 1.00 4.42 C ATOM 0 H ALA A 922 13.096 2.968 -24.582 1.00 70.51 H new ATOM 0 HA ALA A 922 14.399 3.626 -27.027 1.00 11.20 H new ATOM 0 HB1 ALA A 922 14.715 5.814 -25.918 1.00 4.42 H new ATOM 0 HB2 ALA A 922 13.046 5.222 -25.747 1.00 4.42 H new ATOM 0 HB3 ALA A 922 14.177 5.103 -24.378 1.00 4.42 H new ATOM 194 N HIS A 923 16.259 2.824 -24.482 1.00 11.51 N ATOM 195 CA HIS A 923 17.627 2.544 -24.061 1.00 42.15 C ATOM 196 C HIS A 923 18.295 1.554 -25.011 1.00 21.24 C ATOM 197 O HIS A 923 19.503 1.619 -25.243 1.00 70.12 O ATOM 198 CB HIS A 923 17.642 1.992 -22.636 1.00 30.50 C ATOM 199 CG HIS A 923 17.120 2.955 -21.615 1.00 34.52 C ATOM 200 ND1 HIS A 923 16.632 2.746 -20.369 1.00 63.34 N flip ATOM 201 CD2 HIS A 923 17.057 4.316 -21.826 1.00 53.25 C flip ATOM 202 CE1 HIS A 923 16.288 3.973 -19.856 1.00 4.11 C flip ATOM 203 NE2 HIS A 923 16.555 4.903 -20.755 1.00 63.32 N flip ATOM 0 H HIS A 923 15.543 2.504 -23.829 1.00 11.51 H new ATOM 0 HA HIS A 923 18.187 3.479 -24.085 1.00 42.15 H new ATOM 0 HB2 HIS A 923 17.045 1.080 -22.602 1.00 30.50 H new ATOM 0 HB3 HIS A 923 18.663 1.715 -22.373 1.00 30.50 H new ATOM 0 HD2 HIS A 923 17.370 4.823 -22.727 1.00 53.25 H new ATOM 0 HE1 HIS A 923 15.868 4.149 -18.877 1.00 4.11 H new ATOM 0 HE2 HIS A 923 16.400 5.905 -20.641 1.00 63.32 H new ATOM 211 N LEU A 924 17.502 0.637 -25.555 1.00 45.54 N ATOM 212 CA LEU A 924 18.017 -0.368 -26.479 1.00 51.41 C ATOM 213 C LEU A 924 18.235 0.228 -27.866 1.00 52.42 C ATOM 214 O LEU A 924 19.264 -0.006 -28.499 1.00 44.13 O ATOM 215 CB LEU A 924 17.051 -1.551 -26.566 1.00 4.22 C ATOM 216 CG LEU A 924 16.759 -2.276 -25.252 1.00 32.11 C ATOM 217 CD1 LEU A 924 15.297 -2.112 -24.866 1.00 0.04 C ATOM 218 CD2 LEU A 924 17.120 -3.750 -25.364 1.00 44.02 C ATOM 0 H LEU A 924 16.501 0.569 -25.372 1.00 45.54 H new ATOM 0 HA LEU A 924 18.977 -0.717 -26.099 1.00 51.41 H new ATOM 0 HB2 LEU A 924 16.107 -1.194 -26.979 1.00 4.22 H new ATOM 0 HB3 LEU A 924 17.456 -2.274 -27.275 1.00 4.22 H new ATOM 0 HG LEU A 924 17.373 -1.831 -24.469 1.00 32.11 H new ATOM 0 HD11 LEU A 924 15.107 -2.635 -23.928 1.00 0.04 H new ATOM 0 HD12 LEU A 924 15.070 -1.053 -24.744 1.00 0.04 H new ATOM 0 HD13 LEU A 924 14.665 -2.531 -25.649 1.00 0.04 H new ATOM 0 HD21 LEU A 924 16.905 -4.250 -24.419 1.00 44.02 H new ATOM 0 HD22 LEU A 924 16.533 -4.209 -26.159 1.00 44.02 H new ATOM 0 HD23 LEU A 924 18.181 -3.848 -25.594 1.00 44.02 H new ATOM 230 N PHE A 925 17.260 1.002 -28.332 1.00 73.20 N ATOM 231 CA PHE A 925 17.345 1.633 -29.644 1.00 22.02 C ATOM 232 C PHE A 925 18.587 2.514 -29.744 1.00 11.14 C ATOM 233 O PHE A 925 19.128 2.721 -30.829 1.00 73.13 O ATOM 234 CB PHE A 925 16.091 2.467 -29.915 1.00 22.23 C ATOM 235 CG PHE A 925 14.815 1.682 -29.809 1.00 30.11 C ATOM 236 CD1 PHE A 925 14.744 0.383 -30.285 1.00 73.31 C ATOM 237 CD2 PHE A 925 13.687 2.243 -29.233 1.00 12.13 C ATOM 238 CE1 PHE A 925 13.570 -0.341 -30.190 1.00 24.34 C ATOM 239 CE2 PHE A 925 12.511 1.524 -29.134 1.00 74.30 C ATOM 240 CZ PHE A 925 12.453 0.229 -29.612 1.00 52.43 C ATOM 0 H PHE A 925 16.402 1.207 -27.820 1.00 73.20 H new ATOM 0 HA PHE A 925 17.418 0.846 -30.394 1.00 22.02 H new ATOM 0 HB2 PHE A 925 16.057 3.297 -29.210 1.00 22.23 H new ATOM 0 HB3 PHE A 925 16.160 2.899 -30.913 1.00 22.23 H new ATOM 0 HD1 PHE A 925 15.615 -0.069 -30.735 1.00 73.31 H new ATOM 0 HD2 PHE A 925 13.727 3.255 -28.857 1.00 12.13 H new ATOM 0 HE1 PHE A 925 13.527 -1.352 -30.568 1.00 24.34 H new ATOM 0 HE2 PHE A 925 11.638 1.974 -28.684 1.00 74.30 H new ATOM 0 HZ PHE A 925 11.536 -0.336 -29.534 1.00 52.43 H new ATOM 250 N GLU A 926 19.032 3.031 -28.602 1.00 61.43 N ATOM 251 CA GLU A 926 20.209 3.891 -28.561 1.00 71.45 C ATOM 252 C GLU A 926 21.461 3.119 -28.967 1.00 62.30 C ATOM 253 O GLU A 926 22.441 3.703 -29.429 1.00 12.13 O ATOM 254 CB GLU A 926 20.390 4.478 -27.160 1.00 41.34 C ATOM 255 CG GLU A 926 19.519 5.694 -26.893 1.00 50.20 C ATOM 256 CD GLU A 926 19.774 6.306 -25.529 1.00 72.11 C ATOM 257 OE1 GLU A 926 20.821 6.966 -25.362 1.00 12.00 O ATOM 258 OE2 GLU A 926 18.927 6.125 -24.629 1.00 63.44 O ATOM 0 H GLU A 926 18.596 2.869 -27.694 1.00 61.43 H new ATOM 0 HA GLU A 926 20.059 4.704 -29.271 1.00 71.45 H new ATOM 0 HB2 GLU A 926 20.163 3.710 -26.421 1.00 41.34 H new ATOM 0 HB3 GLU A 926 21.436 4.753 -27.023 1.00 41.34 H new ATOM 0 HG2 GLU A 926 19.702 6.443 -27.663 1.00 50.20 H new ATOM 0 HG3 GLU A 926 18.470 5.408 -26.969 1.00 50.20 H new ATOM 265 N MET A 927 21.421 1.802 -28.790 1.00 52.12 N ATOM 266 CA MET A 927 22.552 0.950 -29.138 1.00 73.41 C ATOM 267 C MET A 927 22.578 0.667 -30.637 1.00 23.53 C ATOM 268 O MET A 927 23.642 0.634 -31.253 1.00 64.42 O ATOM 269 CB MET A 927 22.485 -0.366 -28.360 1.00 14.21 C ATOM 270 CG MET A 927 22.642 -0.192 -26.858 1.00 33.01 C ATOM 271 SD MET A 927 24.310 0.303 -26.387 1.00 23.33 S ATOM 272 CE MET A 927 24.826 -1.119 -25.427 1.00 4.44 C ATOM 0 H MET A 927 20.618 1.302 -28.408 1.00 52.12 H new ATOM 0 HA MET A 927 23.468 1.476 -28.869 1.00 73.41 H new ATOM 0 HB2 MET A 927 21.530 -0.851 -28.564 1.00 14.21 H new ATOM 0 HB3 MET A 927 23.266 -1.034 -28.724 1.00 14.21 H new ATOM 0 HG2 MET A 927 21.932 0.557 -26.507 1.00 33.01 H new ATOM 0 HG3 MET A 927 22.391 -1.128 -26.359 1.00 33.01 H new ATOM 0 HE1 MET A 927 25.842 -0.964 -25.064 1.00 4.44 H new ATOM 0 HE2 MET A 927 24.154 -1.249 -24.579 1.00 4.44 H new ATOM 0 HE3 MET A 927 24.796 -2.011 -26.053 1.00 4.44 H new ATOM 282 N GLY A 928 21.400 0.462 -31.217 1.00 55.32 N ATOM 283 CA GLY A 928 21.311 0.184 -32.639 1.00 11.23 C ATOM 284 C GLY A 928 20.628 -1.137 -32.929 1.00 61.55 C ATOM 285 O GLY A 928 20.892 -1.769 -33.953 1.00 22.12 O ATOM 0 H GLY A 928 20.505 0.483 -30.728 1.00 55.32 H new ATOM 0 HA2 GLY A 928 20.763 0.988 -33.130 1.00 11.23 H new ATOM 0 HA3 GLY A 928 22.313 0.173 -33.068 1.00 11.23 H new ATOM 289 N PHE A 929 19.748 -1.558 -32.027 1.00 25.53 N ATOM 290 CA PHE A 929 19.028 -2.816 -32.190 1.00 14.50 C ATOM 291 C PHE A 929 17.859 -2.651 -33.157 1.00 52.40 C ATOM 292 O PHE A 929 17.772 -3.350 -34.167 1.00 52.43 O ATOM 293 CB PHE A 929 18.518 -3.315 -30.837 1.00 33.04 C ATOM 294 CG PHE A 929 19.615 -3.730 -29.898 1.00 41.55 C ATOM 295 CD1 PHE A 929 20.486 -4.753 -30.239 1.00 14.55 C ATOM 296 CD2 PHE A 929 19.777 -3.096 -28.677 1.00 15.20 C ATOM 297 CE1 PHE A 929 21.496 -5.136 -29.377 1.00 34.33 C ATOM 298 CE2 PHE A 929 20.785 -3.475 -27.811 1.00 61.02 C ATOM 299 CZ PHE A 929 21.646 -4.496 -28.162 1.00 43.02 C ATOM 0 H PHE A 929 19.516 -1.047 -31.175 1.00 25.53 H new ATOM 0 HA PHE A 929 19.719 -3.551 -32.604 1.00 14.50 H new ATOM 0 HB2 PHE A 929 17.927 -2.528 -30.368 1.00 33.04 H new ATOM 0 HB3 PHE A 929 17.850 -4.161 -30.999 1.00 33.04 H new ATOM 0 HD1 PHE A 929 20.374 -5.256 -31.188 1.00 14.55 H new ATOM 0 HD2 PHE A 929 19.107 -2.296 -28.398 1.00 15.20 H new ATOM 0 HE1 PHE A 929 22.168 -5.935 -29.653 1.00 34.33 H new ATOM 0 HE2 PHE A 929 20.899 -2.974 -26.861 1.00 61.02 H new ATOM 0 HZ PHE A 929 22.435 -4.794 -27.488 1.00 43.02 H new ATOM 309 N CYS A 930 16.963 -1.722 -32.840 1.00 20.52 N ATOM 310 CA CYS A 930 15.798 -1.466 -33.679 1.00 40.22 C ATOM 311 C CYS A 930 14.889 -2.689 -33.736 1.00 13.00 C ATOM 312 O CYS A 930 14.547 -3.171 -34.816 1.00 13.00 O ATOM 313 CB CYS A 930 16.237 -1.075 -35.091 1.00 71.42 C ATOM 314 SG CYS A 930 17.505 0.213 -35.141 1.00 32.35 S ATOM 0 H CYS A 930 17.021 -1.134 -32.008 1.00 20.52 H new ATOM 0 HA CYS A 930 15.238 -0.641 -33.239 1.00 40.22 H new ATOM 0 HB2 CYS A 930 16.615 -1.961 -35.601 1.00 71.42 H new ATOM 0 HB3 CYS A 930 15.365 -0.733 -35.649 1.00 71.42 H new ATOM 0 HG CYS A 930 17.811 0.473 -36.377 1.00 32.35 H new ATOM 320 N ASP A 931 14.502 -3.187 -32.567 1.00 2.13 N ATOM 321 CA ASP A 931 13.633 -4.355 -32.483 1.00 11.22 C ATOM 322 C ASP A 931 12.636 -4.209 -31.337 1.00 70.03 C ATOM 323 O ASP A 931 12.817 -4.789 -30.266 1.00 50.44 O ATOM 324 CB ASP A 931 14.465 -5.624 -32.293 1.00 0.03 C ATOM 325 CG ASP A 931 15.408 -5.877 -33.453 1.00 35.42 C ATOM 326 OD1 ASP A 931 14.965 -5.756 -34.614 1.00 13.01 O ATOM 327 OD2 ASP A 931 16.588 -6.198 -33.200 1.00 31.13 O ATOM 0 H ASP A 931 14.776 -2.800 -31.664 1.00 2.13 H new ATOM 0 HA ASP A 931 13.077 -4.431 -33.417 1.00 11.22 H new ATOM 0 HB2 ASP A 931 15.041 -5.543 -31.371 1.00 0.03 H new ATOM 0 HB3 ASP A 931 13.798 -6.478 -32.178 1.00 0.03 H new ATOM 332 N ARG A 932 11.584 -3.431 -31.570 1.00 43.44 N ATOM 333 CA ARG A 932 10.560 -3.207 -30.557 1.00 40.24 C ATOM 334 C ARG A 932 9.920 -4.525 -30.131 1.00 10.31 C ATOM 335 O ARG A 932 9.413 -4.647 -29.016 1.00 42.31 O ATOM 336 CB ARG A 932 9.487 -2.255 -31.088 1.00 52.43 C ATOM 337 CG ARG A 932 8.509 -2.913 -32.048 1.00 30.24 C ATOM 338 CD ARG A 932 9.166 -3.232 -33.381 1.00 63.42 C ATOM 339 NE ARG A 932 9.835 -2.067 -33.954 1.00 61.55 N ATOM 340 CZ ARG A 932 10.729 -2.141 -34.934 1.00 72.54 C ATOM 341 NH1 ARG A 932 11.059 -3.319 -35.448 1.00 13.42 N ATOM 342 NH2 ARG A 932 11.294 -1.036 -35.403 1.00 62.43 N ATOM 0 H ARG A 932 11.419 -2.945 -32.452 1.00 43.44 H new ATOM 0 HA ARG A 932 11.037 -2.756 -29.687 1.00 40.24 H new ATOM 0 HB2 ARG A 932 8.933 -1.840 -30.246 1.00 52.43 H new ATOM 0 HB3 ARG A 932 9.972 -1.420 -31.593 1.00 52.43 H new ATOM 0 HG2 ARG A 932 8.122 -3.830 -31.603 1.00 30.24 H new ATOM 0 HG3 ARG A 932 7.657 -2.253 -32.210 1.00 30.24 H new ATOM 0 HD2 ARG A 932 9.890 -4.035 -33.245 1.00 63.42 H new ATOM 0 HD3 ARG A 932 8.412 -3.597 -34.079 1.00 63.42 H new ATOM 0 HE ARG A 932 9.603 -1.146 -33.581 1.00 61.55 H new ATOM 0 HH11 ARG A 932 10.626 -4.171 -35.091 1.00 13.42 H new ATOM 0 HH12 ARG A 932 11.746 -3.373 -36.200 1.00 13.42 H new ATOM 0 HH21 ARG A 932 11.042 -0.129 -35.011 1.00 62.43 H new ATOM 0 HH22 ARG A 932 11.980 -1.094 -36.155 1.00 62.43 H new ATOM 356 N GLN A 933 9.947 -5.507 -31.026 1.00 42.20 N ATOM 357 CA GLN A 933 9.369 -6.815 -30.742 1.00 55.32 C ATOM 358 C GLN A 933 10.217 -7.578 -29.731 1.00 4.44 C ATOM 359 O GLN A 933 9.694 -8.169 -28.785 1.00 51.04 O ATOM 360 CB GLN A 933 9.236 -7.628 -32.031 1.00 40.20 C ATOM 361 CG GLN A 933 8.338 -6.978 -33.071 1.00 13.31 C ATOM 362 CD GLN A 933 7.704 -7.987 -34.008 1.00 32.15 C ATOM 363 OE1 GLN A 933 7.326 -9.083 -33.593 1.00 75.45 O ATOM 364 NE2 GLN A 933 7.584 -7.622 -35.279 1.00 21.04 N ATOM 0 H GLN A 933 10.363 -5.422 -31.954 1.00 42.20 H new ATOM 0 HA GLN A 933 8.378 -6.661 -30.314 1.00 55.32 H new ATOM 0 HB2 GLN A 933 10.227 -7.777 -32.461 1.00 40.20 H new ATOM 0 HB3 GLN A 933 8.842 -8.615 -31.789 1.00 40.20 H new ATOM 0 HG2 GLN A 933 7.554 -6.414 -32.566 1.00 13.31 H new ATOM 0 HG3 GLN A 933 8.921 -6.264 -33.653 1.00 13.31 H new ATOM 0 HE21 GLN A 933 7.911 -6.704 -35.579 1.00 21.04 H new ATOM 0 HE22 GLN A 933 7.165 -8.260 -35.955 1.00 21.04 H new ATOM 373 N LEU A 934 11.530 -7.561 -29.935 1.00 51.02 N ATOM 374 CA LEU A 934 12.452 -8.252 -29.041 1.00 4.21 C ATOM 375 C LEU A 934 12.408 -7.648 -27.641 1.00 23.22 C ATOM 376 O LEU A 934 12.216 -8.357 -26.654 1.00 74.43 O ATOM 377 CB LEU A 934 13.877 -8.183 -29.594 1.00 21.24 C ATOM 378 CG LEU A 934 14.363 -9.419 -30.352 1.00 3.14 C ATOM 379 CD1 LEU A 934 13.342 -9.839 -31.397 1.00 64.45 C ATOM 380 CD2 LEU A 934 15.714 -9.150 -31.000 1.00 33.25 C ATOM 0 H LEU A 934 11.980 -7.076 -30.712 1.00 51.02 H new ATOM 0 HA LEU A 934 12.144 -9.296 -28.976 1.00 4.21 H new ATOM 0 HB2 LEU A 934 13.946 -7.323 -30.260 1.00 21.24 H new ATOM 0 HB3 LEU A 934 14.559 -7.999 -28.764 1.00 21.24 H new ATOM 0 HG LEU A 934 14.481 -10.236 -29.640 1.00 3.14 H new ATOM 0 HD11 LEU A 934 13.705 -10.720 -31.927 1.00 64.45 H new ATOM 0 HD12 LEU A 934 12.396 -10.073 -30.908 1.00 64.45 H new ATOM 0 HD13 LEU A 934 13.192 -9.025 -32.107 1.00 64.45 H new ATOM 0 HD21 LEU A 934 16.045 -10.040 -31.535 1.00 33.25 H new ATOM 0 HD22 LEU A 934 15.623 -8.319 -31.700 1.00 33.25 H new ATOM 0 HD23 LEU A 934 16.443 -8.898 -30.230 1.00 33.25 H new ATOM 392 N ASN A 935 12.586 -6.333 -27.563 1.00 22.30 N ATOM 393 CA ASN A 935 12.565 -5.634 -26.284 1.00 1.44 C ATOM 394 C ASN A 935 11.278 -5.934 -25.521 1.00 5.15 C ATOM 395 O ASN A 935 11.255 -5.913 -24.289 1.00 73.42 O ATOM 396 CB ASN A 935 12.702 -4.125 -26.501 1.00 70.32 C ATOM 397 CG ASN A 935 13.734 -3.785 -27.559 1.00 70.21 C ATOM 398 OD1 ASN A 935 14.820 -4.363 -27.591 1.00 24.41 O ATOM 399 ND2 ASN A 935 13.398 -2.842 -28.432 1.00 31.24 N ATOM 0 H ASN A 935 12.746 -5.731 -28.370 1.00 22.30 H new ATOM 0 HA ASN A 935 13.409 -5.987 -25.692 1.00 1.44 H new ATOM 0 HB2 ASN A 935 11.736 -3.714 -26.794 1.00 70.32 H new ATOM 0 HB3 ASN A 935 12.979 -3.649 -25.560 1.00 70.32 H new ATOM 0 HD21 ASN A 935 14.052 -2.571 -29.167 1.00 31.24 H new ATOM 0 HD22 ASN A 935 12.486 -2.389 -28.368 1.00 31.24 H new ATOM 406 N LEU A 936 10.210 -6.213 -26.260 1.00 5.05 N ATOM 407 CA LEU A 936 8.919 -6.519 -25.653 1.00 42.43 C ATOM 408 C LEU A 936 8.918 -7.921 -25.053 1.00 74.05 C ATOM 409 O LEU A 936 8.557 -8.109 -23.892 1.00 32.54 O ATOM 410 CB LEU A 936 7.804 -6.395 -26.693 1.00 13.24 C ATOM 411 CG LEU A 936 6.413 -6.067 -26.148 1.00 72.14 C ATOM 412 CD1 LEU A 936 5.916 -7.186 -25.246 1.00 15.41 C ATOM 413 CD2 LEU A 936 6.432 -4.743 -25.399 1.00 33.03 C ATOM 0 H LEU A 936 10.212 -6.234 -27.280 1.00 5.05 H new ATOM 0 HA LEU A 936 8.742 -5.802 -24.852 1.00 42.43 H new ATOM 0 HB2 LEU A 936 8.085 -5.621 -27.407 1.00 13.24 H new ATOM 0 HB3 LEU A 936 7.744 -7.332 -27.246 1.00 13.24 H new ATOM 0 HG LEU A 936 5.726 -5.975 -26.989 1.00 72.14 H new ATOM 0 HD11 LEU A 936 4.925 -6.935 -24.867 1.00 15.41 H new ATOM 0 HD12 LEU A 936 5.863 -8.115 -25.814 1.00 15.41 H new ATOM 0 HD13 LEU A 936 6.603 -7.311 -24.409 1.00 15.41 H new ATOM 0 HD21 LEU A 936 5.434 -4.526 -25.018 1.00 33.03 H new ATOM 0 HD22 LEU A 936 7.132 -4.806 -24.566 1.00 33.03 H new ATOM 0 HD23 LEU A 936 6.743 -3.947 -26.075 1.00 33.03 H new ATOM 425 N ARG A 937 9.325 -8.901 -25.853 1.00 21.41 N ATOM 426 CA ARG A 937 9.372 -10.287 -25.401 1.00 14.45 C ATOM 427 C ARG A 937 10.453 -10.476 -24.341 1.00 33.45 C ATOM 428 O ARG A 937 10.344 -11.347 -23.476 1.00 72.33 O ATOM 429 CB ARG A 937 9.631 -11.223 -26.582 1.00 50.12 C ATOM 430 CG ARG A 937 11.102 -11.364 -26.936 1.00 4.10 C ATOM 431 CD ARG A 937 11.720 -12.586 -26.274 1.00 51.12 C ATOM 432 NE ARG A 937 11.050 -13.821 -26.672 1.00 15.03 N ATOM 433 CZ ARG A 937 11.253 -14.992 -26.078 1.00 12.43 C ATOM 434 NH1 ARG A 937 12.103 -15.086 -25.064 1.00 53.33 N ATOM 435 NH2 ARG A 937 10.605 -16.071 -26.497 1.00 30.12 N ATOM 0 H ARG A 937 9.627 -8.761 -26.817 1.00 21.41 H new ATOM 0 HA ARG A 937 8.406 -10.532 -24.958 1.00 14.45 H new ATOM 0 HB2 ARG A 937 9.226 -12.208 -26.350 1.00 50.12 H new ATOM 0 HB3 ARG A 937 9.090 -10.853 -27.453 1.00 50.12 H new ATOM 0 HG2 ARG A 937 11.211 -11.441 -28.018 1.00 4.10 H new ATOM 0 HG3 ARG A 937 11.640 -10.469 -26.624 1.00 4.10 H new ATOM 0 HD2 ARG A 937 12.776 -12.646 -26.537 1.00 51.12 H new ATOM 0 HD3 ARG A 937 11.667 -12.477 -25.191 1.00 51.12 H new ATOM 0 HE ARG A 937 10.390 -13.783 -27.449 1.00 15.03 H new ATOM 0 HH11 ARG A 937 12.602 -14.258 -24.739 1.00 53.33 H new ATOM 0 HH12 ARG A 937 12.257 -15.986 -24.610 1.00 53.33 H new ATOM 0 HH21 ARG A 937 9.950 -16.002 -27.276 1.00 30.12 H new ATOM 0 HH22 ARG A 937 10.762 -16.969 -26.040 1.00 30.12 H new ATOM 449 N LEU A 938 11.495 -9.657 -24.413 1.00 44.42 N ATOM 450 CA LEU A 938 12.597 -9.734 -23.460 1.00 43.13 C ATOM 451 C LEU A 938 12.182 -9.180 -22.101 1.00 73.31 C ATOM 452 O LEU A 938 12.415 -9.806 -21.066 1.00 71.21 O ATOM 453 CB LEU A 938 13.809 -8.964 -23.988 1.00 61.14 C ATOM 454 CG LEU A 938 14.948 -9.812 -24.556 1.00 32.31 C ATOM 455 CD1 LEU A 938 15.458 -10.790 -23.509 1.00 72.51 C ATOM 456 CD2 LEU A 938 14.490 -10.554 -25.803 1.00 51.13 C ATOM 0 H LEU A 938 11.601 -8.931 -25.122 1.00 44.42 H new ATOM 0 HA LEU A 938 12.865 -10.783 -23.338 1.00 43.13 H new ATOM 0 HB2 LEU A 938 13.469 -8.280 -24.766 1.00 61.14 H new ATOM 0 HB3 LEU A 938 14.207 -8.353 -23.178 1.00 61.14 H new ATOM 0 HG LEU A 938 15.767 -9.148 -24.833 1.00 32.31 H new ATOM 0 HD11 LEU A 938 16.268 -11.385 -23.931 1.00 72.51 H new ATOM 0 HD12 LEU A 938 15.826 -10.238 -22.644 1.00 72.51 H new ATOM 0 HD13 LEU A 938 14.646 -11.449 -23.201 1.00 72.51 H new ATOM 0 HD21 LEU A 938 15.313 -11.152 -26.193 1.00 51.13 H new ATOM 0 HD22 LEU A 938 13.654 -11.207 -25.551 1.00 51.13 H new ATOM 0 HD23 LEU A 938 14.174 -9.835 -26.559 1.00 51.13 H new ATOM 468 N LEU A 939 11.563 -8.005 -22.111 1.00 42.31 N ATOM 469 CA LEU A 939 11.112 -7.367 -20.879 1.00 22.11 C ATOM 470 C LEU A 939 10.284 -8.333 -20.037 1.00 41.15 C ATOM 471 O LEU A 939 10.560 -8.537 -18.855 1.00 71.10 O ATOM 472 CB LEU A 939 10.290 -6.118 -21.199 1.00 53.25 C ATOM 473 CG LEU A 939 11.076 -4.813 -21.336 1.00 72.40 C ATOM 474 CD1 LEU A 939 10.220 -3.740 -21.990 1.00 74.22 C ATOM 475 CD2 LEU A 939 11.573 -4.346 -19.976 1.00 45.21 C ATOM 0 H LEU A 939 11.362 -7.474 -22.959 1.00 42.31 H new ATOM 0 HA LEU A 939 11.993 -7.077 -20.306 1.00 22.11 H new ATOM 0 HB2 LEU A 939 9.749 -6.292 -22.129 1.00 53.25 H new ATOM 0 HB3 LEU A 939 9.543 -5.988 -20.415 1.00 53.25 H new ATOM 0 HG LEU A 939 11.941 -4.997 -21.974 1.00 72.40 H new ATOM 0 HD11 LEU A 939 10.796 -2.819 -22.079 1.00 74.22 H new ATOM 0 HD12 LEU A 939 9.913 -4.073 -22.981 1.00 74.22 H new ATOM 0 HD13 LEU A 939 9.336 -3.557 -21.379 1.00 74.22 H new ATOM 0 HD21 LEU A 939 12.130 -3.416 -20.092 1.00 45.21 H new ATOM 0 HD22 LEU A 939 10.722 -4.179 -19.315 1.00 45.21 H new ATOM 0 HD23 LEU A 939 12.223 -5.107 -19.545 1.00 45.21 H new ATOM 487 N LYS A 940 9.269 -8.927 -20.655 1.00 52.14 N ATOM 488 CA LYS A 940 8.402 -9.875 -19.966 1.00 14.34 C ATOM 489 C LYS A 940 9.184 -11.109 -19.529 1.00 34.32 C ATOM 490 O LYS A 940 8.793 -11.805 -18.591 1.00 2.43 O ATOM 491 CB LYS A 940 7.240 -10.288 -20.872 1.00 41.14 C ATOM 492 CG LYS A 940 6.539 -9.115 -21.536 1.00 24.01 C ATOM 493 CD LYS A 940 5.040 -9.150 -21.291 1.00 62.11 C ATOM 494 CE LYS A 940 4.469 -7.750 -21.127 1.00 4.12 C ATOM 495 NZ LYS A 940 4.162 -7.119 -22.440 1.00 53.30 N ATOM 0 H LYS A 940 9.026 -8.768 -21.633 1.00 52.14 H new ATOM 0 HA LYS A 940 8.004 -9.385 -19.077 1.00 14.34 H new ATOM 0 HB2 LYS A 940 7.614 -10.961 -21.644 1.00 41.14 H new ATOM 0 HB3 LYS A 940 6.514 -10.849 -20.284 1.00 41.14 H new ATOM 0 HG2 LYS A 940 6.949 -8.181 -21.153 1.00 24.01 H new ATOM 0 HG3 LYS A 940 6.734 -9.133 -22.608 1.00 24.01 H new ATOM 0 HD2 LYS A 940 4.546 -9.650 -22.124 1.00 62.11 H new ATOM 0 HD3 LYS A 940 4.830 -9.737 -20.397 1.00 62.11 H new ATOM 0 HE2 LYS A 940 3.561 -7.796 -20.525 1.00 4.12 H new ATOM 0 HE3 LYS A 940 5.181 -7.129 -20.583 1.00 4.12 H new ATOM 0 HZ1 LYS A 940 3.322 -6.513 -22.346 1.00 53.30 H new ATOM 0 HZ2 LYS A 940 4.972 -6.543 -22.746 1.00 53.30 H new ATOM 0 HZ3 LYS A 940 3.977 -7.860 -23.146 1.00 53.30 H new ATOM 509 N LYS A 941 10.290 -11.376 -20.214 1.00 4.02 N ATOM 510 CA LYS A 941 11.130 -12.525 -19.895 1.00 73.05 C ATOM 511 C LYS A 941 11.939 -12.273 -18.627 1.00 74.20 C ATOM 512 O LYS A 941 12.068 -13.154 -17.776 1.00 52.01 O ATOM 513 CB LYS A 941 12.072 -12.833 -21.061 1.00 41.13 C ATOM 514 CG LYS A 941 12.822 -14.145 -20.907 1.00 41.41 C ATOM 515 CD LYS A 941 14.277 -13.915 -20.532 1.00 15.50 C ATOM 516 CE LYS A 941 14.801 -15.021 -19.631 1.00 24.55 C ATOM 517 NZ LYS A 941 14.121 -15.028 -18.306 1.00 0.51 N ATOM 0 H LYS A 941 10.626 -10.812 -20.995 1.00 4.02 H new ATOM 0 HA LYS A 941 10.479 -13.383 -19.725 1.00 73.05 H new ATOM 0 HB2 LYS A 941 11.495 -12.860 -21.986 1.00 41.13 H new ATOM 0 HB3 LYS A 941 12.793 -12.021 -21.159 1.00 41.13 H new ATOM 0 HG2 LYS A 941 12.340 -14.753 -20.142 1.00 41.41 H new ATOM 0 HG3 LYS A 941 12.770 -14.707 -21.840 1.00 41.41 H new ATOM 0 HD2 LYS A 941 14.883 -13.863 -21.436 1.00 15.50 H new ATOM 0 HD3 LYS A 941 14.376 -12.955 -20.026 1.00 15.50 H new ATOM 0 HE2 LYS A 941 14.656 -15.985 -20.118 1.00 24.55 H new ATOM 0 HE3 LYS A 941 15.874 -14.894 -19.488 1.00 24.55 H new ATOM 0 HZ1 LYS A 941 14.822 -14.868 -17.555 1.00 0.51 H new ATOM 0 HZ2 LYS A 941 13.406 -14.273 -18.279 1.00 0.51 H new ATOM 0 HZ3 LYS A 941 13.659 -15.948 -18.158 1.00 0.51 H new ATOM 531 N HIS A 942 12.480 -11.065 -18.506 1.00 23.41 N ATOM 532 CA HIS A 942 13.275 -10.697 -17.340 1.00 20.35 C ATOM 533 C HIS A 942 12.418 -9.974 -16.305 1.00 4.22 C ATOM 534 O HIS A 942 12.915 -9.546 -15.264 1.00 41.40 O ATOM 535 CB HIS A 942 14.450 -9.812 -17.755 1.00 51.34 C ATOM 536 CG HIS A 942 15.338 -10.439 -18.786 1.00 33.14 C ATOM 537 ND1 HIS A 942 16.194 -11.483 -18.506 1.00 4.31 N ATOM 538 CD2 HIS A 942 15.497 -10.166 -20.102 1.00 3.44 C ATOM 539 CE1 HIS A 942 16.844 -11.823 -19.605 1.00 12.12 C ATOM 540 NE2 HIS A 942 16.439 -11.039 -20.588 1.00 33.22 N ATOM 0 H HIS A 942 12.382 -10.325 -19.201 1.00 23.41 H new ATOM 0 HA HIS A 942 13.661 -11.612 -16.891 1.00 20.35 H new ATOM 0 HB2 HIS A 942 14.065 -8.870 -18.144 1.00 51.34 H new ATOM 0 HB3 HIS A 942 15.044 -9.573 -16.873 1.00 51.34 H new ATOM 0 HD1 HIS A 942 16.308 -11.924 -17.593 1.00 4.31 H new ATOM 0 HD2 HIS A 942 14.979 -9.404 -20.665 1.00 3.44 H new ATOM 0 HE1 HIS A 942 17.581 -12.608 -19.686 1.00 12.12 H new ATOM 548 N ASN A 943 11.129 -9.841 -16.600 1.00 3.25 N ATOM 549 CA ASN A 943 10.204 -9.168 -15.695 1.00 50.22 C ATOM 550 C ASN A 943 10.542 -7.685 -15.576 1.00 1.23 C ATOM 551 O ASN A 943 10.890 -7.202 -14.498 1.00 43.30 O ATOM 552 CB ASN A 943 10.241 -9.824 -14.313 1.00 52.34 C ATOM 553 CG ASN A 943 10.368 -11.333 -14.393 1.00 52.20 C ATOM 554 OD1 ASN A 943 11.273 -11.923 -13.802 1.00 53.35 O ATOM 555 ND2 ASN A 943 9.459 -11.965 -15.126 1.00 72.01 N ATOM 0 H ASN A 943 10.701 -10.190 -17.458 1.00 3.25 H new ATOM 0 HA ASN A 943 9.199 -9.262 -16.107 1.00 50.22 H new ATOM 0 HB2 ASN A 943 11.079 -9.421 -13.745 1.00 52.34 H new ATOM 0 HB3 ASN A 943 9.333 -9.567 -13.767 1.00 52.34 H new ATOM 0 HD21 ASN A 943 9.493 -12.980 -15.217 1.00 72.01 H new ATOM 0 HD22 ASN A 943 8.727 -11.435 -15.598 1.00 72.01 H new ATOM 562 N TYR A 944 10.436 -6.968 -16.689 1.00 65.20 N ATOM 563 CA TYR A 944 10.733 -5.541 -16.710 1.00 54.41 C ATOM 564 C TYR A 944 12.170 -5.276 -16.272 1.00 13.22 C ATOM 565 O TYR A 944 12.422 -4.443 -15.402 1.00 54.34 O ATOM 566 CB TYR A 944 9.763 -4.784 -15.801 1.00 53.21 C ATOM 567 CG TYR A 944 8.449 -4.443 -16.468 1.00 2.33 C ATOM 568 CD1 TYR A 944 7.720 -5.411 -17.147 1.00 41.31 C ATOM 569 CD2 TYR A 944 7.937 -3.152 -16.417 1.00 73.01 C ATOM 570 CE1 TYR A 944 6.520 -5.103 -17.758 1.00 70.12 C ATOM 571 CE2 TYR A 944 6.737 -2.836 -17.024 1.00 53.31 C ATOM 572 CZ TYR A 944 6.032 -3.814 -17.694 1.00 24.53 C ATOM 573 OH TYR A 944 4.837 -3.504 -18.300 1.00 34.41 O ATOM 0 H TYR A 944 10.147 -7.352 -17.589 1.00 65.20 H new ATOM 0 HA TYR A 944 10.614 -5.186 -17.734 1.00 54.41 H new ATOM 0 HB2 TYR A 944 9.565 -5.386 -14.914 1.00 53.21 H new ATOM 0 HB3 TYR A 944 10.239 -3.864 -15.462 1.00 53.21 H new ATOM 0 HD1 TYR A 944 8.098 -6.421 -17.198 1.00 41.31 H new ATOM 0 HD2 TYR A 944 8.486 -2.383 -15.894 1.00 73.01 H new ATOM 0 HE1 TYR A 944 5.967 -5.867 -18.283 1.00 70.12 H new ATOM 0 HE2 TYR A 944 6.353 -1.828 -16.974 1.00 53.31 H new ATOM 0 HH TYR A 944 4.636 -2.555 -18.160 1.00 34.41 H new ATOM 583 N ASN A 945 13.109 -5.992 -16.882 1.00 11.32 N ATOM 584 CA ASN A 945 14.522 -5.835 -16.556 1.00 33.13 C ATOM 585 C ASN A 945 15.317 -5.392 -17.780 1.00 13.40 C ATOM 586 O ASN A 945 15.940 -6.209 -18.457 1.00 61.53 O ATOM 587 CB ASN A 945 15.090 -7.148 -16.013 1.00 32.00 C ATOM 588 CG ASN A 945 16.097 -6.926 -14.901 1.00 64.45 C ATOM 589 OD1 ASN A 945 17.033 -6.139 -15.045 1.00 31.15 O ATOM 590 ND2 ASN A 945 15.910 -7.622 -13.786 1.00 21.10 N ATOM 0 H ASN A 945 12.917 -6.686 -17.604 1.00 11.32 H new ATOM 0 HA ASN A 945 14.609 -5.064 -15.790 1.00 33.13 H new ATOM 0 HB2 ASN A 945 14.274 -7.768 -15.642 1.00 32.00 H new ATOM 0 HB3 ASN A 945 15.565 -7.699 -16.825 1.00 32.00 H new ATOM 0 HD21 ASN A 945 16.556 -7.516 -13.004 1.00 21.10 H new ATOM 0 HD22 ASN A 945 15.120 -8.263 -13.711 1.00 21.10 H new ATOM 597 N ILE A 946 15.290 -4.092 -18.057 1.00 21.41 N ATOM 598 CA ILE A 946 16.009 -3.540 -19.198 1.00 65.21 C ATOM 599 C ILE A 946 17.473 -3.967 -19.184 1.00 62.43 C ATOM 600 O ILE A 946 18.061 -4.244 -20.231 1.00 74.30 O ATOM 601 CB ILE A 946 15.936 -2.002 -19.220 1.00 35.04 C ATOM 602 CG1 ILE A 946 16.713 -1.449 -20.416 1.00 14.01 C ATOM 603 CG2 ILE A 946 16.476 -1.428 -17.919 1.00 10.44 C ATOM 604 CD1 ILE A 946 16.205 -1.949 -21.750 1.00 33.40 C ATOM 0 H ILE A 946 14.778 -3.402 -17.507 1.00 21.41 H new ATOM 0 HA ILE A 946 15.526 -3.931 -20.094 1.00 65.21 H new ATOM 0 HB ILE A 946 14.892 -1.704 -19.321 1.00 35.04 H new ATOM 0 HG12 ILE A 946 16.660 -0.360 -20.401 1.00 14.01 H new ATOM 0 HG13 ILE A 946 17.764 -1.719 -20.312 1.00 14.01 H new ATOM 0 HG21 ILE A 946 16.418 -0.340 -17.950 1.00 10.44 H new ATOM 0 HG22 ILE A 946 15.883 -1.800 -17.083 1.00 10.44 H new ATOM 0 HG23 ILE A 946 17.515 -1.732 -17.790 1.00 10.44 H new ATOM 0 HD11 ILE A 946 16.802 -1.516 -22.552 1.00 33.40 H new ATOM 0 HD12 ILE A 946 16.283 -3.036 -21.785 1.00 33.40 H new ATOM 0 HD13 ILE A 946 15.163 -1.656 -21.875 1.00 33.40 H new ATOM 616 N LEU A 947 18.057 -4.021 -17.992 1.00 51.32 N ATOM 617 CA LEU A 947 19.453 -4.417 -17.841 1.00 12.43 C ATOM 618 C LEU A 947 19.712 -5.765 -18.505 1.00 55.03 C ATOM 619 O LEU A 947 20.635 -5.905 -19.306 1.00 61.04 O ATOM 620 CB LEU A 947 19.826 -4.486 -16.359 1.00 10.51 C ATOM 621 CG LEU A 947 19.524 -3.235 -15.532 1.00 30.42 C ATOM 622 CD1 LEU A 947 19.896 -3.457 -14.074 1.00 60.00 C ATOM 623 CD2 LEU A 947 20.264 -2.031 -16.096 1.00 30.21 C ATOM 0 H LEU A 947 17.586 -3.796 -17.116 1.00 51.32 H new ATOM 0 HA LEU A 947 20.073 -3.666 -18.331 1.00 12.43 H new ATOM 0 HB2 LEU A 947 19.300 -5.329 -15.911 1.00 10.51 H new ATOM 0 HB3 LEU A 947 20.892 -4.699 -16.283 1.00 10.51 H new ATOM 0 HG LEU A 947 18.454 -3.036 -15.587 1.00 30.42 H new ATOM 0 HD11 LEU A 947 19.674 -2.557 -13.501 1.00 60.00 H new ATOM 0 HD12 LEU A 947 19.321 -4.292 -13.675 1.00 60.00 H new ATOM 0 HD13 LEU A 947 20.960 -3.681 -14.000 1.00 60.00 H new ATOM 0 HD21 LEU A 947 20.037 -1.150 -15.495 1.00 30.21 H new ATOM 0 HD22 LEU A 947 21.337 -2.220 -16.072 1.00 30.21 H new ATOM 0 HD23 LEU A 947 19.948 -1.859 -17.125 1.00 30.21 H new ATOM 635 N GLN A 948 18.889 -6.753 -18.168 1.00 55.32 N ATOM 636 CA GLN A 948 19.028 -8.089 -18.734 1.00 21.32 C ATOM 637 C GLN A 948 18.577 -8.114 -20.190 1.00 52.24 C ATOM 638 O GLN A 948 19.115 -8.863 -21.005 1.00 62.24 O ATOM 639 CB GLN A 948 18.217 -9.098 -17.919 1.00 73.11 C ATOM 640 CG GLN A 948 18.636 -9.179 -16.460 1.00 72.41 C ATOM 641 CD GLN A 948 20.074 -9.627 -16.290 1.00 42.11 C ATOM 642 OE1 GLN A 948 20.463 -10.697 -16.759 1.00 41.02 O ATOM 643 NE2 GLN A 948 20.874 -8.808 -15.616 1.00 74.14 N ATOM 0 H GLN A 948 18.119 -6.653 -17.506 1.00 55.32 H new ATOM 0 HA GLN A 948 20.082 -8.364 -18.695 1.00 21.32 H new ATOM 0 HB2 GLN A 948 17.162 -8.830 -17.971 1.00 73.11 H new ATOM 0 HB3 GLN A 948 18.318 -10.084 -18.373 1.00 73.11 H new ATOM 0 HG2 GLN A 948 18.506 -8.202 -15.994 1.00 72.41 H new ATOM 0 HG3 GLN A 948 17.979 -9.872 -15.935 1.00 72.41 H new ATOM 0 HE21 GLN A 948 20.510 -7.931 -15.244 1.00 74.14 H new ATOM 0 HE22 GLN A 948 21.852 -9.057 -15.470 1.00 74.14 H new ATOM 652 N VAL A 949 17.585 -7.289 -20.511 1.00 73.45 N ATOM 653 CA VAL A 949 17.061 -7.216 -21.870 1.00 41.12 C ATOM 654 C VAL A 949 18.145 -6.791 -22.855 1.00 21.24 C ATOM 655 O VAL A 949 18.450 -7.509 -23.807 1.00 22.52 O ATOM 656 CB VAL A 949 15.882 -6.229 -21.965 1.00 21.42 C ATOM 657 CG1 VAL A 949 15.407 -6.101 -23.404 1.00 61.11 C ATOM 658 CG2 VAL A 949 14.744 -6.671 -21.057 1.00 4.03 C ATOM 0 H VAL A 949 17.128 -6.662 -19.849 1.00 73.45 H new ATOM 0 HA VAL A 949 16.711 -8.215 -22.128 1.00 41.12 H new ATOM 0 HB VAL A 949 16.223 -5.249 -21.632 1.00 21.42 H new ATOM 0 HG11 VAL A 949 14.574 -5.400 -23.451 1.00 61.11 H new ATOM 0 HG12 VAL A 949 16.224 -5.736 -24.026 1.00 61.11 H new ATOM 0 HG13 VAL A 949 15.082 -7.076 -23.768 1.00 61.11 H new ATOM 0 HG21 VAL A 949 13.919 -5.963 -21.136 1.00 4.03 H new ATOM 0 HG22 VAL A 949 14.402 -7.661 -21.358 1.00 4.03 H new ATOM 0 HG23 VAL A 949 15.094 -6.706 -20.025 1.00 4.03 H new ATOM 668 N VAL A 950 18.725 -5.619 -22.618 1.00 52.44 N ATOM 669 CA VAL A 950 19.777 -5.098 -23.483 1.00 52.12 C ATOM 670 C VAL A 950 20.926 -6.091 -23.610 1.00 22.42 C ATOM 671 O VAL A 950 21.389 -6.386 -24.712 1.00 43.23 O ATOM 672 CB VAL A 950 20.326 -3.759 -22.956 1.00 32.05 C ATOM 673 CG1 VAL A 950 21.463 -3.263 -23.836 1.00 74.54 C ATOM 674 CG2 VAL A 950 19.214 -2.724 -22.872 1.00 45.44 C ATOM 0 H VAL A 950 18.484 -5.012 -21.834 1.00 52.44 H new ATOM 0 HA VAL A 950 19.329 -4.937 -24.464 1.00 52.12 H new ATOM 0 HB VAL A 950 20.720 -3.918 -21.952 1.00 32.05 H new ATOM 0 HG11 VAL A 950 21.837 -2.316 -23.447 1.00 74.54 H new ATOM 0 HG12 VAL A 950 22.268 -3.998 -23.839 1.00 74.54 H new ATOM 0 HG13 VAL A 950 21.099 -3.119 -24.853 1.00 74.54 H new ATOM 0 HG21 VAL A 950 19.619 -1.784 -22.498 1.00 45.44 H new ATOM 0 HG22 VAL A 950 18.788 -2.567 -23.863 1.00 45.44 H new ATOM 0 HG23 VAL A 950 18.437 -3.079 -22.195 1.00 45.44 H new ATOM 684 N THR A 951 21.384 -6.607 -22.473 1.00 34.01 N ATOM 685 CA THR A 951 22.480 -7.568 -22.456 1.00 15.53 C ATOM 686 C THR A 951 22.145 -8.799 -23.290 1.00 12.40 C ATOM 687 O THR A 951 23.029 -9.417 -23.881 1.00 71.33 O ATOM 688 CB THR A 951 22.816 -8.011 -21.019 1.00 55.32 C ATOM 689 OG1 THR A 951 23.227 -6.881 -20.241 1.00 54.24 O ATOM 690 CG2 THR A 951 23.917 -9.060 -21.020 1.00 42.23 C ATOM 0 H THR A 951 21.012 -6.375 -21.552 1.00 34.01 H new ATOM 0 HA THR A 951 23.347 -7.066 -22.886 1.00 15.53 H new ATOM 0 HB THR A 951 21.920 -8.448 -20.578 1.00 55.32 H new ATOM 0 HG1 THR A 951 22.438 -6.444 -19.857 1.00 54.24 H new ATOM 0 HG21 THR A 951 24.137 -9.357 -19.995 1.00 42.23 H new ATOM 0 HG22 THR A 951 23.589 -9.931 -21.588 1.00 42.23 H new ATOM 0 HG23 THR A 951 24.815 -8.645 -21.478 1.00 42.23 H new ATOM 698 N GLU A 952 20.863 -9.148 -23.333 1.00 51.13 N ATOM 699 CA GLU A 952 20.413 -10.306 -24.096 1.00 71.32 C ATOM 700 C GLU A 952 20.560 -10.061 -25.595 1.00 60.22 C ATOM 701 O GLU A 952 21.215 -10.830 -26.300 1.00 61.02 O ATOM 702 CB GLU A 952 18.955 -10.630 -23.762 1.00 22.01 C ATOM 703 CG GLU A 952 18.615 -12.106 -23.887 1.00 3.31 C ATOM 704 CD GLU A 952 18.932 -12.886 -22.626 1.00 33.11 C ATOM 705 OE1 GLU A 952 19.551 -12.306 -21.710 1.00 11.25 O ATOM 706 OE2 GLU A 952 18.561 -14.076 -22.555 1.00 72.22 O ATOM 0 H GLU A 952 20.119 -8.646 -22.849 1.00 51.13 H new ATOM 0 HA GLU A 952 21.039 -11.155 -23.821 1.00 71.32 H new ATOM 0 HB2 GLU A 952 18.743 -10.302 -22.744 1.00 22.01 H new ATOM 0 HB3 GLU A 952 18.304 -10.059 -24.424 1.00 22.01 H new ATOM 0 HG2 GLU A 952 17.555 -12.213 -24.119 1.00 3.31 H new ATOM 0 HG3 GLU A 952 19.169 -12.533 -24.723 1.00 3.31 H new ATOM 713 N LEU A 953 19.946 -8.986 -26.076 1.00 11.33 N ATOM 714 CA LEU A 953 20.007 -8.638 -27.491 1.00 62.12 C ATOM 715 C LEU A 953 21.454 -8.517 -27.960 1.00 74.21 C ATOM 716 O LEU A 953 21.793 -8.923 -29.073 1.00 11.43 O ATOM 717 CB LEU A 953 19.265 -7.325 -27.747 1.00 32.32 C ATOM 718 CG LEU A 953 17.760 -7.442 -27.993 1.00 21.03 C ATOM 719 CD1 LEU A 953 17.109 -8.302 -26.921 1.00 22.41 C ATOM 720 CD2 LEU A 953 17.118 -6.063 -28.035 1.00 21.00 C ATOM 0 H LEU A 953 19.400 -8.340 -25.506 1.00 11.33 H new ATOM 0 HA LEU A 953 19.526 -9.436 -28.057 1.00 62.12 H new ATOM 0 HB2 LEU A 953 19.423 -6.669 -26.891 1.00 32.32 H new ATOM 0 HB3 LEU A 953 19.717 -6.838 -28.611 1.00 32.32 H new ATOM 0 HG LEU A 953 17.606 -7.923 -28.959 1.00 21.03 H new ATOM 0 HD11 LEU A 953 16.038 -8.374 -27.113 1.00 22.41 H new ATOM 0 HD12 LEU A 953 17.548 -9.299 -26.938 1.00 22.41 H new ATOM 0 HD13 LEU A 953 17.273 -7.850 -25.943 1.00 22.41 H new ATOM 0 HD21 LEU A 953 16.047 -6.165 -28.211 1.00 21.00 H new ATOM 0 HD22 LEU A 953 17.283 -5.556 -27.084 1.00 21.00 H new ATOM 0 HD23 LEU A 953 17.564 -5.479 -28.840 1.00 21.00 H new ATOM 732 N LEU A 954 22.303 -7.959 -27.104 1.00 73.32 N ATOM 733 CA LEU A 954 23.714 -7.787 -27.429 1.00 63.05 C ATOM 734 C LEU A 954 24.372 -9.130 -27.731 1.00 75.11 C ATOM 735 O LEU A 954 24.834 -9.368 -28.846 1.00 73.44 O ATOM 736 CB LEU A 954 24.443 -7.097 -26.275 1.00 65.31 C ATOM 737 CG LEU A 954 25.578 -6.150 -26.668 1.00 71.30 C ATOM 738 CD1 LEU A 954 25.029 -4.931 -27.392 1.00 73.14 C ATOM 739 CD2 LEU A 954 26.372 -5.730 -25.440 1.00 33.45 C ATOM 0 H LEU A 954 22.039 -7.618 -26.180 1.00 73.32 H new ATOM 0 HA LEU A 954 23.782 -7.162 -28.319 1.00 63.05 H new ATOM 0 HB2 LEU A 954 23.712 -6.534 -25.695 1.00 65.31 H new ATOM 0 HB3 LEU A 954 24.849 -7.865 -25.617 1.00 65.31 H new ATOM 0 HG LEU A 954 26.248 -6.679 -27.346 1.00 71.30 H new ATOM 0 HD11 LEU A 954 25.851 -4.269 -27.664 1.00 73.14 H new ATOM 0 HD12 LEU A 954 24.505 -5.249 -28.294 1.00 73.14 H new ATOM 0 HD13 LEU A 954 24.337 -4.401 -26.738 1.00 73.14 H new ATOM 0 HD21 LEU A 954 27.175 -5.057 -25.739 1.00 33.45 H new ATOM 0 HD22 LEU A 954 25.713 -5.220 -24.738 1.00 33.45 H new ATOM 0 HD23 LEU A 954 26.797 -6.613 -24.962 1.00 33.45 H new