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 37:sc= 0.048 USER MOD Single : A 921 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 923 HIS : no HD1:sc= -0.95 X(o=-0.95,f=-0.52) USER MOD Single : A 927 MET CE :methyl -131:sc= -0.678 (180deg=-1.97!) USER MOD Single : A 930 CYS SG : rot 180:sc= 0 USER MOD Single : A 933 GLN : amide:sc=-0.00799 X(o=-0.008,f=-0.29) USER MOD Single : A 935 ASN : amide:sc= -4.57 K(o=-4.6,f=-6.7!) USER MOD Single : A 940 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 941 LYS NZ :NH3+ 160:sc= -0.0549 (180deg=-0.368) USER MOD Single : A 942 HIS : no HE2:sc= -4.52 K(o=-4.5,f=-6.2!) USER MOD Single : A 943 ASN : amide:sc= -0.298 X(o=-0.3,f=-0.3) USER MOD Single : A 944 TYR OH : rot 180:sc= 0 USER MOD Single : A 945 ASN : amide:sc= -0.0765 K(o=-0.077,f=-1.1) USER MOD Single : A 948 GLN : amide:sc= -0.0138 X(o=-0.014,f=0) USER MOD Single : A 951 THR OG1 : rot 85:sc= 0.96 USER MOD ----------------------------------------------------------------- ATOM 114 N THR A 917 8.875 1.693 -19.177 1.00 32.21 N ATOM 115 CA THR A 917 9.287 0.785 -20.240 1.00 41.42 C ATOM 116 C THR A 917 9.672 1.553 -21.500 1.00 1.04 C ATOM 117 O THR A 917 10.676 1.247 -22.142 1.00 22.21 O ATOM 118 CB THR A 917 8.171 -0.219 -20.586 1.00 4.23 C ATOM 119 OG1 THR A 917 7.841 -1.000 -19.432 1.00 71.11 O ATOM 120 CG2 THR A 917 8.602 -1.137 -21.720 1.00 12.12 C ATOM 0 HA THR A 917 10.155 0.239 -19.870 1.00 41.42 H new ATOM 0 HB THR A 917 7.294 0.342 -20.908 1.00 4.23 H new ATOM 0 HG1 THR A 917 7.886 -0.436 -18.632 1.00 71.11 H new ATOM 0 HG21 THR A 917 7.798 -1.837 -21.947 1.00 12.12 H new ATOM 0 HG22 THR A 917 8.825 -0.542 -22.605 1.00 12.12 H new ATOM 0 HG23 THR A 917 9.492 -1.691 -21.421 1.00 12.12 H new ATOM 128 N ALA A 918 8.868 2.552 -21.847 1.00 51.40 N ATOM 129 CA ALA A 918 9.127 3.366 -23.029 1.00 34.34 C ATOM 130 C ALA A 918 10.535 3.949 -22.996 1.00 1.22 C ATOM 131 O ALA A 918 11.164 4.135 -24.037 1.00 5.12 O ATOM 132 CB ALA A 918 8.095 4.478 -23.140 1.00 12.43 C ATOM 0 H ALA A 918 8.032 2.818 -21.327 1.00 51.40 H new ATOM 0 HA ALA A 918 9.049 2.724 -23.906 1.00 34.34 H new ATOM 0 HB1 ALA A 918 8.300 5.078 -24.027 1.00 12.43 H new ATOM 0 HB2 ALA A 918 7.099 4.043 -23.219 1.00 12.43 H new ATOM 0 HB3 ALA A 918 8.146 5.111 -22.254 1.00 12.43 H new ATOM 138 N ALA A 919 11.024 4.237 -21.794 1.00 34.33 N ATOM 139 CA ALA A 919 12.358 4.798 -21.626 1.00 23.12 C ATOM 140 C ALA A 919 13.430 3.730 -21.812 1.00 65.33 C ATOM 141 O ALA A 919 14.460 3.972 -22.444 1.00 54.13 O ATOM 142 CB ALA A 919 12.490 5.447 -20.256 1.00 35.32 C ATOM 0 H ALA A 919 10.515 4.091 -20.922 1.00 34.33 H new ATOM 0 HA ALA A 919 12.503 5.560 -22.392 1.00 23.12 H new ATOM 0 HB1 ALA A 919 13.492 5.862 -20.145 1.00 35.32 H new ATOM 0 HB2 ALA A 919 11.754 6.245 -20.159 1.00 35.32 H new ATOM 0 HB3 ALA A 919 12.319 4.700 -19.481 1.00 35.32 H new ATOM 148 N LEU A 920 13.184 2.548 -21.258 1.00 71.24 N ATOM 149 CA LEU A 920 14.129 1.442 -21.363 1.00 62.42 C ATOM 150 C LEU A 920 14.347 1.048 -22.821 1.00 24.04 C ATOM 151 O LEU A 920 15.456 0.690 -23.218 1.00 11.33 O ATOM 152 CB LEU A 920 13.624 0.236 -20.568 1.00 4.44 C ATOM 153 CG LEU A 920 13.075 0.536 -19.172 1.00 61.43 C ATOM 154 CD1 LEU A 920 12.700 -0.754 -18.459 1.00 10.24 C ATOM 155 CD2 LEU A 920 14.091 1.323 -18.357 1.00 34.31 C ATOM 0 H LEU A 920 12.338 2.331 -20.731 1.00 71.24 H new ATOM 0 HA LEU A 920 15.082 1.771 -20.948 1.00 62.42 H new ATOM 0 HB2 LEU A 920 12.841 -0.254 -21.147 1.00 4.44 H new ATOM 0 HB3 LEU A 920 14.442 -0.478 -20.470 1.00 4.44 H new ATOM 0 HG LEU A 920 12.176 1.143 -19.278 1.00 61.43 H new ATOM 0 HD11 LEU A 920 12.311 -0.522 -17.467 1.00 10.24 H new ATOM 0 HD12 LEU A 920 11.937 -1.279 -19.034 1.00 10.24 H new ATOM 0 HD13 LEU A 920 13.582 -1.387 -18.364 1.00 10.24 H new ATOM 0 HD21 LEU A 920 13.683 1.527 -17.367 1.00 34.31 H new ATOM 0 HD22 LEU A 920 15.008 0.742 -18.259 1.00 34.31 H new ATOM 0 HD23 LEU A 920 14.311 2.264 -18.860 1.00 34.31 H new ATOM 167 N MET A 921 13.283 1.119 -23.613 1.00 32.30 N ATOM 168 CA MET A 921 13.359 0.773 -25.028 1.00 23.03 C ATOM 169 C MET A 921 14.351 1.675 -25.755 1.00 3.11 C ATOM 170 O MET A 921 15.077 1.227 -26.642 1.00 24.14 O ATOM 171 CB MET A 921 11.979 0.885 -25.677 1.00 52.24 C ATOM 172 CG MET A 921 10.910 0.058 -24.981 1.00 65.44 C ATOM 173 SD MET A 921 10.523 -1.463 -25.869 1.00 34.44 S ATOM 174 CE MET A 921 8.899 -1.073 -26.516 1.00 40.14 C ATOM 0 H MET A 921 12.358 1.413 -23.300 1.00 32.30 H new ATOM 0 HA MET A 921 13.706 -0.257 -25.107 1.00 23.03 H new ATOM 0 HB2 MET A 921 11.672 1.931 -25.681 1.00 52.24 H new ATOM 0 HB3 MET A 921 12.050 0.570 -26.718 1.00 52.24 H new ATOM 0 HG2 MET A 921 11.245 -0.189 -23.974 1.00 65.44 H new ATOM 0 HG3 MET A 921 10.004 0.655 -24.878 1.00 65.44 H new ATOM 0 HE1 MET A 921 8.524 -1.919 -27.091 1.00 40.14 H new ATOM 0 HE2 MET A 921 8.219 -0.865 -25.690 1.00 40.14 H new ATOM 0 HE3 MET A 921 8.965 -0.197 -27.161 1.00 40.14 H new ATOM 184 N ALA A 922 14.376 2.948 -25.374 1.00 2.02 N ATOM 185 CA ALA A 922 15.280 3.912 -25.989 1.00 23.03 C ATOM 186 C ALA A 922 16.737 3.544 -25.726 1.00 14.24 C ATOM 187 O ALA A 922 17.623 3.875 -26.514 1.00 1.13 O ATOM 188 CB ALA A 922 14.987 5.314 -25.474 1.00 73.54 C ATOM 0 H ALA A 922 13.780 3.336 -24.642 1.00 2.02 H new ATOM 0 HA ALA A 922 15.116 3.891 -27.066 1.00 23.03 H new ATOM 0 HB1 ALA A 922 15.670 6.023 -25.942 1.00 73.54 H new ATOM 0 HB2 ALA A 922 13.960 5.584 -25.718 1.00 73.54 H new ATOM 0 HB3 ALA A 922 15.122 5.340 -24.393 1.00 73.54 H new ATOM 194 N HIS A 923 16.977 2.858 -24.613 1.00 1.45 N ATOM 195 CA HIS A 923 18.327 2.446 -24.246 1.00 22.34 C ATOM 196 C HIS A 923 18.876 1.433 -25.246 1.00 23.22 C ATOM 197 O HIS A 923 20.065 1.444 -25.567 1.00 64.11 O ATOM 198 CB HIS A 923 18.335 1.847 -22.839 1.00 24.21 C ATOM 199 CG HIS A 923 17.842 2.789 -21.784 1.00 71.50 C ATOM 200 ND1 HIS A 923 17.645 4.135 -22.009 1.00 72.44 N ATOM 201 CD2 HIS A 923 17.503 2.571 -20.492 1.00 4.54 C ATOM 202 CE1 HIS A 923 17.208 4.705 -20.901 1.00 1.02 C ATOM 203 NE2 HIS A 923 17.113 3.778 -19.965 1.00 2.04 N ATOM 0 H HIS A 923 16.255 2.576 -23.950 1.00 1.45 H new ATOM 0 HA HIS A 923 18.967 3.328 -24.261 1.00 22.34 H new ATOM 0 HB2 HIS A 923 17.716 0.950 -22.831 1.00 24.21 H new ATOM 0 HB3 HIS A 923 19.350 1.536 -22.591 1.00 24.21 H new ATOM 0 HD2 HIS A 923 17.533 1.625 -19.972 1.00 4.54 H new ATOM 0 HE1 HIS A 923 16.969 5.751 -20.781 1.00 1.02 H new ATOM 0 HE2 HIS A 923 16.801 3.933 -19.006 1.00 2.04 H new ATOM 211 N LEU A 924 18.004 0.558 -25.734 1.00 12.11 N ATOM 212 CA LEU A 924 18.401 -0.463 -26.697 1.00 44.44 C ATOM 213 C LEU A 924 18.548 0.134 -28.094 1.00 12.04 C ATOM 214 O LEU A 924 19.517 -0.144 -28.800 1.00 51.23 O ATOM 215 CB LEU A 924 17.376 -1.597 -26.720 1.00 72.43 C ATOM 216 CG LEU A 924 17.108 -2.287 -25.382 1.00 65.52 C ATOM 217 CD1 LEU A 924 15.672 -2.056 -24.940 1.00 0.23 C ATOM 218 CD2 LEU A 924 17.404 -3.777 -25.482 1.00 1.11 C ATOM 0 H LEU A 924 17.017 0.535 -25.479 1.00 12.11 H new ATOM 0 HA LEU A 924 19.367 -0.862 -26.389 1.00 44.44 H new ATOM 0 HB2 LEU A 924 16.433 -1.200 -27.097 1.00 72.43 H new ATOM 0 HB3 LEU A 924 17.712 -2.350 -27.433 1.00 72.43 H new ATOM 0 HG LEU A 924 17.771 -1.854 -24.633 1.00 65.52 H new ATOM 0 HD11 LEU A 924 15.500 -2.555 -23.986 1.00 0.23 H new ATOM 0 HD12 LEU A 924 15.493 -0.987 -24.828 1.00 0.23 H new ATOM 0 HD13 LEU A 924 14.991 -2.461 -25.689 1.00 0.23 H new ATOM 0 HD21 LEU A 924 17.208 -4.252 -24.521 1.00 1.11 H new ATOM 0 HD22 LEU A 924 16.767 -4.224 -26.245 1.00 1.11 H new ATOM 0 HD23 LEU A 924 18.450 -3.923 -25.752 1.00 1.11 H new ATOM 230 N PHE A 925 17.580 0.957 -28.484 1.00 62.01 N ATOM 231 CA PHE A 925 17.602 1.594 -29.796 1.00 12.45 C ATOM 232 C PHE A 925 18.868 2.427 -29.975 1.00 20.21 C ATOM 233 O PHE A 925 19.344 2.617 -31.093 1.00 50.44 O ATOM 234 CB PHE A 925 16.367 2.479 -29.976 1.00 55.14 C ATOM 235 CG PHE A 925 15.070 1.746 -29.779 1.00 43.41 C ATOM 236 CD1 PHE A 925 14.902 0.463 -30.274 1.00 5.11 C ATOM 237 CD2 PHE A 925 14.020 2.341 -29.098 1.00 70.53 C ATOM 238 CE1 PHE A 925 13.710 -0.213 -30.094 1.00 45.14 C ATOM 239 CE2 PHE A 925 12.826 1.669 -28.915 1.00 53.23 C ATOM 240 CZ PHE A 925 12.671 0.390 -29.413 1.00 43.32 C ATOM 0 H PHE A 925 16.771 1.198 -27.911 1.00 62.01 H new ATOM 0 HA PHE A 925 17.594 0.810 -30.553 1.00 12.45 H new ATOM 0 HB2 PHE A 925 16.418 3.308 -29.270 1.00 55.14 H new ATOM 0 HB3 PHE A 925 16.382 2.911 -30.976 1.00 55.14 H new ATOM 0 HD1 PHE A 925 15.711 -0.014 -30.806 1.00 5.11 H new ATOM 0 HD2 PHE A 925 14.136 3.341 -28.706 1.00 70.53 H new ATOM 0 HE1 PHE A 925 13.591 -1.212 -30.486 1.00 45.14 H new ATOM 0 HE2 PHE A 925 12.015 2.144 -28.383 1.00 53.23 H new ATOM 0 HZ PHE A 925 11.739 -0.137 -29.270 1.00 43.32 H new ATOM 250 N GLU A 926 19.407 2.920 -28.864 1.00 62.03 N ATOM 251 CA GLU A 926 20.617 3.733 -28.899 1.00 41.02 C ATOM 252 C GLU A 926 21.803 2.922 -29.415 1.00 13.41 C ATOM 253 O GLU A 926 22.763 3.478 -29.947 1.00 62.11 O ATOM 254 CB GLU A 926 20.929 4.283 -27.506 1.00 11.21 C ATOM 255 CG GLU A 926 20.274 5.624 -27.220 1.00 74.02 C ATOM 256 CD GLU A 926 20.698 6.208 -25.887 1.00 12.32 C ATOM 257 OE1 GLU A 926 20.126 5.802 -24.853 1.00 44.31 O ATOM 258 OE2 GLU A 926 21.600 7.071 -25.877 1.00 2.23 O ATOM 0 H GLU A 926 19.025 2.771 -27.930 1.00 62.03 H new ATOM 0 HA GLU A 926 20.444 4.566 -29.580 1.00 41.02 H new ATOM 0 HB2 GLU A 926 20.601 3.561 -26.758 1.00 11.21 H new ATOM 0 HB3 GLU A 926 22.009 4.385 -27.399 1.00 11.21 H new ATOM 0 HG2 GLU A 926 20.526 6.324 -28.016 1.00 74.02 H new ATOM 0 HG3 GLU A 926 19.191 5.505 -27.232 1.00 74.02 H new ATOM 265 N MET A 927 21.727 1.606 -29.252 1.00 60.44 N ATOM 266 CA MET A 927 22.793 0.718 -29.702 1.00 23.01 C ATOM 267 C MET A 927 22.690 0.460 -31.202 1.00 11.12 C ATOM 268 O MET A 927 23.698 0.421 -31.906 1.00 1.24 O ATOM 269 CB MET A 927 22.738 -0.607 -28.940 1.00 31.43 C ATOM 270 CG MET A 927 23.095 -0.477 -27.468 1.00 24.50 C ATOM 271 SD MET A 927 23.771 -2.001 -26.780 1.00 72.21 S ATOM 272 CE MET A 927 25.518 -1.610 -26.741 1.00 2.30 C ATOM 0 H MET A 927 20.939 1.131 -28.812 1.00 60.44 H new ATOM 0 HA MET A 927 23.747 1.206 -29.500 1.00 23.01 H new ATOM 0 HB2 MET A 927 21.735 -1.025 -29.027 1.00 31.43 H new ATOM 0 HB3 MET A 927 23.420 -1.315 -29.410 1.00 31.43 H new ATOM 0 HG2 MET A 927 23.821 0.327 -27.344 1.00 24.50 H new ATOM 0 HG3 MET A 927 22.205 -0.193 -26.906 1.00 24.50 H new ATOM 0 HE1 MET A 927 26.084 -2.426 -27.190 1.00 2.30 H new ATOM 0 HE2 MET A 927 25.698 -0.693 -27.301 1.00 2.30 H new ATOM 0 HE3 MET A 927 25.837 -1.472 -25.708 1.00 2.30 H new ATOM 282 N GLY A 928 21.463 0.284 -31.685 1.00 5.14 N ATOM 283 CA GLY A 928 21.252 0.032 -33.098 1.00 32.31 C ATOM 284 C GLY A 928 20.521 -1.272 -33.351 1.00 24.20 C ATOM 285 O GLY A 928 20.694 -1.895 -34.399 1.00 33.53 O ATOM 0 H GLY A 928 20.612 0.312 -31.123 1.00 5.14 H new ATOM 0 HA2 GLY A 928 20.682 0.854 -33.529 1.00 32.31 H new ATOM 0 HA3 GLY A 928 22.215 0.010 -33.608 1.00 32.31 H new ATOM 289 N PHE A 929 19.704 -1.687 -32.389 1.00 24.33 N ATOM 290 CA PHE A 929 18.947 -2.927 -32.511 1.00 70.50 C ATOM 291 C PHE A 929 17.698 -2.720 -33.362 1.00 74.02 C ATOM 292 O PHE A 929 17.501 -3.399 -34.371 1.00 1.21 O ATOM 293 CB PHE A 929 18.554 -3.449 -31.127 1.00 42.41 C ATOM 294 CG PHE A 929 19.686 -4.105 -30.390 1.00 64.54 C ATOM 295 CD1 PHE A 929 20.458 -5.079 -31.005 1.00 1.45 C ATOM 296 CD2 PHE A 929 19.979 -3.750 -29.083 1.00 74.04 C ATOM 297 CE1 PHE A 929 21.501 -5.685 -30.330 1.00 11.24 C ATOM 298 CE2 PHE A 929 21.020 -4.352 -28.404 1.00 23.44 C ATOM 299 CZ PHE A 929 21.782 -5.322 -29.027 1.00 14.20 C ATOM 0 H PHE A 929 19.549 -1.183 -31.516 1.00 24.33 H new ATOM 0 HA PHE A 929 19.582 -3.664 -33.002 1.00 70.50 H new ATOM 0 HB2 PHE A 929 18.174 -2.620 -30.530 1.00 42.41 H new ATOM 0 HB3 PHE A 929 17.739 -4.164 -31.235 1.00 42.41 H new ATOM 0 HD1 PHE A 929 20.242 -5.367 -32.023 1.00 1.45 H new ATOM 0 HD2 PHE A 929 19.386 -2.994 -28.590 1.00 74.04 H new ATOM 0 HE1 PHE A 929 22.096 -6.441 -30.821 1.00 11.24 H new ATOM 0 HE2 PHE A 929 21.239 -4.065 -27.386 1.00 23.44 H new ATOM 0 HZ PHE A 929 22.595 -5.795 -28.497 1.00 14.20 H new ATOM 309 N CYS A 930 16.857 -1.779 -32.948 1.00 52.21 N ATOM 310 CA CYS A 930 15.625 -1.482 -33.671 1.00 21.10 C ATOM 311 C CYS A 930 14.691 -2.688 -33.671 1.00 51.41 C ATOM 312 O CYS A 930 14.207 -3.111 -34.721 1.00 43.33 O ATOM 313 CB CYS A 930 15.941 -1.066 -35.108 1.00 54.24 C ATOM 314 SG CYS A 930 14.690 0.003 -35.859 1.00 31.22 S ATOM 0 H CYS A 930 17.005 -1.208 -32.116 1.00 52.21 H new ATOM 0 HA CYS A 930 15.124 -0.658 -33.164 1.00 21.10 H new ATOM 0 HB2 CYS A 930 16.901 -0.550 -35.123 1.00 54.24 H new ATOM 0 HB3 CYS A 930 16.052 -1.962 -35.718 1.00 54.24 H new ATOM 0 HG CYS A 930 15.047 0.303 -37.073 1.00 31.22 H new ATOM 320 N ASP A 931 14.443 -3.237 -32.487 1.00 73.15 N ATOM 321 CA ASP A 931 13.567 -4.395 -32.351 1.00 32.04 C ATOM 322 C ASP A 931 12.633 -4.231 -31.156 1.00 34.53 C ATOM 323 O ASP A 931 12.867 -4.801 -30.090 1.00 34.32 O ATOM 324 CB ASP A 931 14.394 -5.672 -32.196 1.00 3.13 C ATOM 325 CG ASP A 931 15.254 -5.956 -33.412 1.00 11.21 C ATOM 326 OD1 ASP A 931 14.754 -5.787 -34.544 1.00 64.43 O ATOM 327 OD2 ASP A 931 16.426 -6.345 -33.231 1.00 63.43 O ATOM 0 H ASP A 931 14.836 -2.899 -31.608 1.00 73.15 H new ATOM 0 HA ASP A 931 12.963 -4.471 -33.255 1.00 32.04 H new ATOM 0 HB2 ASP A 931 15.032 -5.584 -31.316 1.00 3.13 H new ATOM 0 HB3 ASP A 931 13.726 -6.515 -32.022 1.00 3.13 H new ATOM 332 N ARG A 932 11.575 -3.449 -31.341 1.00 14.20 N ATOM 333 CA ARG A 932 10.607 -3.208 -30.278 1.00 34.43 C ATOM 334 C ARG A 932 9.975 -4.517 -29.812 1.00 15.32 C ATOM 335 O ARG A 932 9.529 -4.629 -28.670 1.00 72.13 O ATOM 336 CB ARG A 932 9.518 -2.246 -30.758 1.00 23.33 C ATOM 337 CG ARG A 932 8.663 -2.807 -31.882 1.00 53.30 C ATOM 338 CD ARG A 932 7.380 -3.427 -31.350 1.00 63.00 C ATOM 339 NE ARG A 932 6.272 -3.283 -32.290 1.00 13.01 N ATOM 340 CZ ARG A 932 5.044 -3.731 -32.052 1.00 52.51 C ATOM 341 NH1 ARG A 932 4.769 -4.347 -30.911 1.00 14.21 N ATOM 342 NH2 ARG A 932 4.088 -3.561 -32.957 1.00 30.42 N ATOM 0 H ARG A 932 11.366 -2.971 -32.218 1.00 14.20 H new ATOM 0 HA ARG A 932 11.134 -2.758 -29.436 1.00 34.43 H new ATOM 0 HB2 ARG A 932 8.874 -1.990 -29.916 1.00 23.33 H new ATOM 0 HB3 ARG A 932 9.985 -1.321 -31.095 1.00 23.33 H new ATOM 0 HG2 ARG A 932 8.419 -2.012 -32.587 1.00 53.30 H new ATOM 0 HG3 ARG A 932 9.230 -3.558 -32.432 1.00 53.30 H new ATOM 0 HD2 ARG A 932 7.546 -4.485 -31.145 1.00 63.00 H new ATOM 0 HD3 ARG A 932 7.116 -2.956 -30.403 1.00 63.00 H new ATOM 0 HE ARG A 932 6.450 -2.813 -33.178 1.00 13.01 H new ATOM 0 HH11 ARG A 932 5.501 -4.478 -30.213 1.00 14.21 H new ATOM 0 HH12 ARG A 932 3.825 -4.690 -30.731 1.00 14.21 H new ATOM 0 HH21 ARG A 932 4.296 -3.086 -33.836 1.00 30.42 H new ATOM 0 HH22 ARG A 932 3.145 -3.905 -32.774 1.00 30.42 H new ATOM 356 N GLN A 933 9.940 -5.502 -30.704 1.00 13.44 N ATOM 357 CA GLN A 933 9.361 -6.801 -30.384 1.00 21.24 C ATOM 358 C GLN A 933 10.255 -7.572 -29.418 1.00 62.33 C ATOM 359 O GLN A 933 9.777 -8.160 -28.447 1.00 51.11 O ATOM 360 CB GLN A 933 9.147 -7.616 -31.660 1.00 53.13 C ATOM 361 CG GLN A 933 8.286 -6.910 -32.695 1.00 41.34 C ATOM 362 CD GLN A 933 7.669 -7.869 -33.694 1.00 10.01 C ATOM 363 OE1 GLN A 933 7.085 -8.885 -33.317 1.00 33.14 O ATOM 364 NE2 GLN A 933 7.795 -7.551 -34.977 1.00 3.31 N ATOM 0 H GLN A 933 10.306 -5.425 -31.653 1.00 13.44 H new ATOM 0 HA GLN A 933 8.397 -6.633 -29.903 1.00 21.24 H new ATOM 0 HB2 GLN A 933 10.117 -7.845 -32.102 1.00 53.13 H new ATOM 0 HB3 GLN A 933 8.682 -8.567 -31.400 1.00 53.13 H new ATOM 0 HG2 GLN A 933 7.493 -6.360 -32.188 1.00 41.34 H new ATOM 0 HG3 GLN A 933 8.892 -6.177 -33.227 1.00 41.34 H new ATOM 0 HE21 GLN A 933 8.287 -6.699 -35.245 1.00 3.31 H new ATOM 0 HE22 GLN A 933 7.400 -8.159 -35.694 1.00 3.31 H new ATOM 373 N LEU A 934 11.555 -7.567 -29.691 1.00 43.24 N ATOM 374 CA LEU A 934 12.517 -8.266 -28.847 1.00 24.40 C ATOM 375 C LEU A 934 12.562 -7.654 -27.450 1.00 64.55 C ATOM 376 O LEU A 934 12.416 -8.355 -26.450 1.00 71.41 O ATOM 377 CB LEU A 934 13.909 -8.222 -29.481 1.00 11.13 C ATOM 378 CG LEU A 934 14.334 -9.470 -30.254 1.00 64.42 C ATOM 379 CD1 LEU A 934 13.247 -9.889 -31.231 1.00 71.51 C ATOM 380 CD2 LEU A 934 15.645 -9.223 -30.987 1.00 23.15 C ATOM 0 H LEU A 934 11.967 -7.086 -30.491 1.00 43.24 H new ATOM 0 HA LEU A 934 12.198 -9.304 -28.758 1.00 24.40 H new ATOM 0 HB2 LEU A 934 13.951 -7.368 -30.157 1.00 11.13 H new ATOM 0 HB3 LEU A 934 14.640 -8.041 -28.693 1.00 11.13 H new ATOM 0 HG LEU A 934 14.486 -10.281 -29.541 1.00 64.42 H new ATOM 0 HD11 LEU A 934 13.568 -10.779 -31.772 1.00 71.51 H new ATOM 0 HD12 LEU A 934 12.330 -10.108 -30.683 1.00 71.51 H new ATOM 0 HD13 LEU A 934 13.063 -9.081 -31.939 1.00 71.51 H new ATOM 0 HD21 LEU A 934 15.932 -10.122 -31.532 1.00 23.15 H new ATOM 0 HD22 LEU A 934 15.520 -8.398 -31.688 1.00 23.15 H new ATOM 0 HD23 LEU A 934 16.423 -8.971 -30.266 1.00 23.15 H new ATOM 392 N ASN A 935 12.764 -6.342 -27.391 1.00 71.13 N ATOM 393 CA ASN A 935 12.826 -5.635 -26.117 1.00 62.12 C ATOM 394 C ASN A 935 11.581 -5.911 -25.280 1.00 73.14 C ATOM 395 O ASN A 935 11.628 -5.886 -24.050 1.00 12.42 O ATOM 396 CB ASN A 935 12.973 -4.130 -26.352 1.00 25.42 C ATOM 397 CG ASN A 935 13.946 -3.812 -27.472 1.00 35.35 C ATOM 398 OD1 ASN A 935 15.008 -4.425 -27.579 1.00 51.10 O ATOM 399 ND2 ASN A 935 13.585 -2.849 -28.312 1.00 70.40 N ATOM 0 H ASN A 935 12.888 -5.747 -28.210 1.00 71.13 H new ATOM 0 HA ASN A 935 13.697 -5.998 -25.571 1.00 62.12 H new ATOM 0 HB2 ASN A 935 11.998 -3.705 -26.590 1.00 25.42 H new ATOM 0 HB3 ASN A 935 13.313 -3.653 -25.433 1.00 25.42 H new ATOM 0 HD21 ASN A 935 14.198 -2.590 -29.085 1.00 70.40 H new ATOM 0 HD22 ASN A 935 12.695 -2.368 -28.184 1.00 70.40 H new ATOM 406 N LEU A 936 10.468 -6.175 -25.956 1.00 32.43 N ATOM 407 CA LEU A 936 9.209 -6.457 -25.275 1.00 74.32 C ATOM 408 C LEU A 936 9.222 -7.854 -24.662 1.00 11.23 C ATOM 409 O LEU A 936 8.924 -8.026 -23.480 1.00 32.13 O ATOM 410 CB LEU A 936 8.038 -6.328 -26.252 1.00 23.13 C ATOM 411 CG LEU A 936 6.685 -5.974 -25.634 1.00 51.14 C ATOM 412 CD1 LEU A 936 6.222 -7.076 -24.695 1.00 32.52 C ATOM 413 CD2 LEU A 936 6.766 -4.644 -24.900 1.00 14.42 C ATOM 0 H LEU A 936 10.412 -6.200 -26.974 1.00 32.43 H new ATOM 0 HA LEU A 936 9.088 -5.729 -24.473 1.00 74.32 H new ATOM 0 HB2 LEU A 936 8.289 -5.566 -26.990 1.00 23.13 H new ATOM 0 HB3 LEU A 936 7.934 -7.270 -26.790 1.00 23.13 H new ATOM 0 HG LEU A 936 5.954 -5.879 -26.437 1.00 51.14 H new ATOM 0 HD11 LEU A 936 5.258 -6.806 -24.265 1.00 32.52 H new ATOM 0 HD12 LEU A 936 6.124 -8.009 -25.250 1.00 32.52 H new ATOM 0 HD13 LEU A 936 6.952 -7.204 -23.896 1.00 32.52 H new ATOM 0 HD21 LEU A 936 5.794 -4.408 -24.467 1.00 14.42 H new ATOM 0 HD22 LEU A 936 7.511 -4.711 -24.107 1.00 14.42 H new ATOM 0 HD23 LEU A 936 7.051 -3.859 -25.600 1.00 14.42 H new ATOM 425 N ARG A 937 9.572 -8.847 -25.472 1.00 75.32 N ATOM 426 CA ARG A 937 9.625 -10.229 -25.009 1.00 10.52 C ATOM 427 C ARG A 937 10.765 -10.424 -24.013 1.00 72.44 C ATOM 428 O ARG A 937 10.695 -11.285 -23.135 1.00 65.43 O ATOM 429 CB ARG A 937 9.799 -11.180 -26.194 1.00 24.11 C ATOM 430 CG ARG A 937 11.245 -11.348 -26.632 1.00 40.15 C ATOM 431 CD ARG A 937 11.881 -12.574 -25.997 1.00 22.13 C ATOM 432 NE ARG A 937 11.167 -13.801 -26.340 1.00 24.13 N ATOM 433 CZ ARG A 937 11.373 -14.965 -25.734 1.00 25.13 C ATOM 434 NH1 ARG A 937 12.267 -15.060 -24.759 1.00 2.31 N ATOM 435 NH2 ARG A 937 10.684 -16.037 -26.102 1.00 63.51 N ATOM 0 H ARG A 937 9.823 -8.721 -26.452 1.00 75.32 H new ATOM 0 HA ARG A 937 8.684 -10.455 -24.507 1.00 10.52 H new ATOM 0 HB2 ARG A 937 9.393 -12.156 -25.929 1.00 24.11 H new ATOM 0 HB3 ARG A 937 9.214 -10.809 -27.036 1.00 24.11 H new ATOM 0 HG2 ARG A 937 11.290 -11.435 -27.718 1.00 40.15 H new ATOM 0 HG3 ARG A 937 11.814 -10.459 -26.360 1.00 40.15 H new ATOM 0 HD2 ARG A 937 12.918 -12.655 -26.324 1.00 22.13 H new ATOM 0 HD3 ARG A 937 11.896 -12.454 -24.914 1.00 22.13 H new ATOM 0 HE ARG A 937 10.472 -13.762 -27.086 1.00 24.13 H new ATOM 0 HH11 ARG A 937 12.799 -14.238 -24.473 1.00 2.31 H new ATOM 0 HH12 ARG A 937 12.423 -15.955 -24.296 1.00 2.31 H new ATOM 0 HH21 ARG A 937 9.995 -15.968 -26.851 1.00 63.51 H new ATOM 0 HH22 ARG A 937 10.843 -16.930 -25.636 1.00 63.51 H new ATOM 449 N LEU A 938 11.813 -9.621 -24.157 1.00 12.23 N ATOM 450 CA LEU A 938 12.969 -9.705 -23.271 1.00 34.54 C ATOM 451 C LEU A 938 12.643 -9.133 -21.895 1.00 2.51 C ATOM 452 O LEU A 938 12.944 -9.744 -20.869 1.00 1.02 O ATOM 453 CB LEU A 938 14.158 -8.959 -23.878 1.00 74.22 C ATOM 454 CG LEU A 938 15.246 -9.830 -24.508 1.00 13.32 C ATOM 455 CD1 LEU A 938 15.832 -10.781 -23.476 1.00 73.12 C ATOM 456 CD2 LEU A 938 14.690 -10.603 -25.694 1.00 73.44 C ATOM 0 H LEU A 938 11.886 -8.904 -24.879 1.00 12.23 H new ATOM 0 HA LEU A 938 13.230 -10.757 -23.154 1.00 34.54 H new ATOM 0 HB2 LEU A 938 13.782 -8.275 -24.639 1.00 74.22 H new ATOM 0 HB3 LEU A 938 14.615 -8.349 -23.099 1.00 74.22 H new ATOM 0 HG LEU A 938 16.044 -9.179 -24.866 1.00 13.32 H new ATOM 0 HD11 LEU A 938 16.604 -11.393 -23.942 1.00 73.12 H new ATOM 0 HD12 LEU A 938 16.268 -10.207 -22.658 1.00 73.12 H new ATOM 0 HD13 LEU A 938 15.044 -11.426 -23.087 1.00 73.12 H new ATOM 0 HD21 LEU A 938 15.478 -11.217 -26.130 1.00 73.44 H new ATOM 0 HD22 LEU A 938 13.873 -11.243 -25.360 1.00 73.44 H new ATOM 0 HD23 LEU A 938 14.319 -9.903 -26.443 1.00 73.44 H new ATOM 468 N LEU A 939 12.025 -7.957 -21.881 1.00 4.33 N ATOM 469 CA LEU A 939 11.656 -7.301 -20.631 1.00 23.43 C ATOM 470 C LEU A 939 10.881 -8.253 -19.725 1.00 61.12 C ATOM 471 O LEU A 939 11.230 -8.441 -18.560 1.00 24.43 O ATOM 472 CB LEU A 939 10.819 -6.053 -20.914 1.00 74.22 C ATOM 473 CG LEU A 939 11.598 -4.754 -21.122 1.00 65.50 C ATOM 474 CD1 LEU A 939 10.730 -3.715 -21.813 1.00 52.01 C ATOM 475 CD2 LEU A 939 12.113 -4.223 -19.792 1.00 64.03 C ATOM 0 H LEU A 939 11.769 -7.438 -22.721 1.00 4.33 H new ATOM 0 HA LEU A 939 12.572 -7.007 -20.119 1.00 23.43 H new ATOM 0 HB2 LEU A 939 10.217 -6.238 -21.803 1.00 74.22 H new ATOM 0 HB3 LEU A 939 10.127 -5.909 -20.085 1.00 74.22 H new ATOM 0 HG LEU A 939 12.454 -4.965 -21.763 1.00 65.50 H new ATOM 0 HD11 LEU A 939 11.302 -2.798 -21.952 1.00 52.01 H new ATOM 0 HD12 LEU A 939 10.411 -4.095 -22.784 1.00 52.01 H new ATOM 0 HD13 LEU A 939 9.854 -3.507 -21.199 1.00 52.01 H new ATOM 0 HD21 LEU A 939 12.665 -3.298 -19.959 1.00 64.03 H new ATOM 0 HD22 LEU A 939 11.271 -4.028 -19.127 1.00 64.03 H new ATOM 0 HD23 LEU A 939 12.772 -4.962 -19.336 1.00 64.03 H new ATOM 487 N LYS A 940 9.828 -8.853 -20.269 1.00 52.14 N ATOM 488 CA LYS A 940 9.004 -9.788 -19.513 1.00 70.52 C ATOM 489 C LYS A 940 9.805 -11.026 -19.122 1.00 64.13 C ATOM 490 O LYS A 940 9.480 -11.708 -18.150 1.00 73.13 O ATOM 491 CB LYS A 940 7.779 -10.199 -20.333 1.00 72.21 C ATOM 492 CG LYS A 940 7.049 -9.027 -20.965 1.00 41.34 C ATOM 493 CD LYS A 940 5.547 -9.128 -20.759 1.00 1.44 C ATOM 494 CE LYS A 940 4.792 -8.190 -21.688 1.00 43.41 C ATOM 495 NZ LYS A 940 3.361 -8.055 -21.298 1.00 64.31 N ATOM 0 H LYS A 940 9.525 -8.708 -21.232 1.00 52.14 H new ATOM 0 HA LYS A 940 8.673 -9.288 -18.603 1.00 70.52 H new ATOM 0 HB2 LYS A 940 8.092 -10.887 -21.118 1.00 72.21 H new ATOM 0 HB3 LYS A 940 7.087 -10.743 -19.690 1.00 72.21 H new ATOM 0 HG2 LYS A 940 7.414 -8.095 -20.534 1.00 41.34 H new ATOM 0 HG3 LYS A 940 7.269 -8.993 -22.032 1.00 41.34 H new ATOM 0 HD2 LYS A 940 5.223 -10.154 -20.934 1.00 1.44 H new ATOM 0 HD3 LYS A 940 5.304 -8.890 -19.724 1.00 1.44 H new ATOM 0 HE2 LYS A 940 5.266 -7.208 -21.676 1.00 43.41 H new ATOM 0 HE3 LYS A 940 4.856 -8.562 -22.710 1.00 43.41 H new ATOM 0 HZ1 LYS A 940 2.882 -7.408 -21.956 1.00 64.31 H new ATOM 0 HZ2 LYS A 940 2.902 -8.988 -21.334 1.00 64.31 H new ATOM 0 HZ3 LYS A 940 3.299 -7.675 -20.332 1.00 64.31 H new ATOM 509 N LYS A 941 10.856 -11.310 -19.885 1.00 31.14 N ATOM 510 CA LYS A 941 11.706 -12.464 -19.617 1.00 5.20 C ATOM 511 C LYS A 941 12.615 -12.204 -18.419 1.00 74.13 C ATOM 512 O LYS A 941 12.873 -13.102 -17.617 1.00 64.24 O ATOM 513 CB LYS A 941 12.552 -12.797 -20.849 1.00 14.14 C ATOM 514 CG LYS A 941 13.348 -14.083 -20.710 1.00 73.02 C ATOM 515 CD LYS A 941 14.789 -13.807 -20.318 1.00 4.12 C ATOM 516 CE LYS A 941 15.669 -15.030 -20.529 1.00 34.02 C ATOM 517 NZ LYS A 941 15.811 -15.368 -21.972 1.00 31.51 N ATOM 0 H LYS A 941 11.139 -10.757 -20.694 1.00 31.14 H new ATOM 0 HA LYS A 941 11.062 -13.312 -19.385 1.00 5.20 H new ATOM 0 HB2 LYS A 941 11.898 -12.876 -21.718 1.00 14.14 H new ATOM 0 HB3 LYS A 941 13.239 -11.973 -21.041 1.00 14.14 H new ATOM 0 HG2 LYS A 941 12.882 -14.721 -19.959 1.00 73.02 H new ATOM 0 HG3 LYS A 941 13.325 -14.630 -21.653 1.00 73.02 H new ATOM 0 HD2 LYS A 941 15.174 -12.975 -20.907 1.00 4.12 H new ATOM 0 HD3 LYS A 941 14.831 -13.504 -19.272 1.00 4.12 H new ATOM 0 HE2 LYS A 941 16.654 -14.847 -20.100 1.00 34.02 H new ATOM 0 HE3 LYS A 941 15.243 -15.880 -19.997 1.00 34.02 H new ATOM 0 HZ1 LYS A 941 16.653 -15.963 -22.108 1.00 31.51 H new ATOM 0 HZ2 LYS A 941 14.967 -15.884 -22.292 1.00 31.51 H new ATOM 0 HZ3 LYS A 941 15.912 -14.493 -22.525 1.00 31.51 H new ATOM 531 N HIS A 942 13.095 -10.970 -18.303 1.00 71.10 N ATOM 532 CA HIS A 942 13.973 -10.592 -17.201 1.00 72.12 C ATOM 533 C HIS A 942 13.195 -9.854 -16.116 1.00 22.24 C ATOM 534 O HIS A 942 13.767 -9.416 -15.119 1.00 0.44 O ATOM 535 CB HIS A 942 15.117 -9.715 -17.711 1.00 30.12 C ATOM 536 CG HIS A 942 15.948 -10.371 -18.770 1.00 4.11 C ATOM 537 ND1 HIS A 942 16.773 -11.447 -18.520 1.00 64.21 N ATOM 538 CD2 HIS A 942 16.078 -10.098 -20.089 1.00 53.03 C ATOM 539 CE1 HIS A 942 17.375 -11.807 -19.640 1.00 5.24 C ATOM 540 NE2 HIS A 942 16.970 -11.004 -20.607 1.00 62.11 N ATOM 0 H HIS A 942 12.891 -10.215 -18.958 1.00 71.10 H new ATOM 0 HA HIS A 942 14.388 -11.503 -16.770 1.00 72.12 H new ATOM 0 HB2 HIS A 942 14.704 -8.788 -18.108 1.00 30.12 H new ATOM 0 HB3 HIS A 942 15.759 -9.445 -16.872 1.00 30.12 H new ATOM 0 HD1 HIS A 942 16.899 -11.895 -17.612 1.00 64.21 H new ATOM 0 HD2 HIS A 942 15.574 -9.313 -20.633 1.00 53.03 H new ATOM 0 HE1 HIS A 942 18.078 -12.620 -19.746 1.00 5.24 H new ATOM 548 N ASN A 943 11.888 -9.721 -16.317 1.00 43.25 N ATOM 549 CA ASN A 943 11.033 -9.035 -15.356 1.00 54.32 C ATOM 550 C ASN A 943 11.379 -7.551 -15.282 1.00 13.31 C ATOM 551 O ASN A 943 11.784 -7.049 -14.233 1.00 52.32 O ATOM 552 CB ASN A 943 11.172 -9.672 -13.972 1.00 75.23 C ATOM 553 CG ASN A 943 11.295 -11.182 -14.041 1.00 61.10 C ATOM 554 OD1 ASN A 943 12.324 -11.749 -13.672 1.00 73.22 O ATOM 555 ND2 ASN A 943 10.244 -11.841 -14.515 1.00 40.42 N ATOM 0 H ASN A 943 11.398 -10.079 -17.137 1.00 43.25 H new ATOM 0 HA ASN A 943 10.001 -9.133 -15.692 1.00 54.32 H new ATOM 0 HB2 ASN A 943 12.049 -9.261 -13.472 1.00 75.23 H new ATOM 0 HB3 ASN A 943 10.306 -9.408 -13.365 1.00 75.23 H new ATOM 0 HD21 ASN A 943 10.269 -12.858 -14.585 1.00 40.42 H new ATOM 0 HD22 ASN A 943 9.412 -11.330 -14.809 1.00 40.42 H new ATOM 562 N TYR A 944 11.216 -6.854 -16.401 1.00 72.32 N ATOM 563 CA TYR A 944 11.513 -5.428 -16.464 1.00 75.11 C ATOM 564 C TYR A 944 12.972 -5.159 -16.110 1.00 31.21 C ATOM 565 O TYR A 944 13.272 -4.312 -15.270 1.00 44.34 O ATOM 566 CB TYR A 944 10.595 -4.653 -15.517 1.00 41.31 C ATOM 567 CG TYR A 944 9.245 -4.326 -16.115 1.00 2.43 C ATOM 568 CD1 TYR A 944 8.481 -5.307 -16.734 1.00 44.24 C ATOM 569 CD2 TYR A 944 8.733 -3.035 -16.059 1.00 3.04 C ATOM 570 CE1 TYR A 944 7.248 -5.012 -17.282 1.00 61.03 C ATOM 571 CE2 TYR A 944 7.500 -2.731 -16.602 1.00 62.45 C ATOM 572 CZ TYR A 944 6.762 -3.723 -17.214 1.00 33.14 C ATOM 573 OH TYR A 944 5.533 -3.426 -17.757 1.00 11.20 O ATOM 0 H TYR A 944 10.880 -7.254 -17.277 1.00 72.32 H new ATOM 0 HA TYR A 944 11.338 -5.091 -17.486 1.00 75.11 H new ATOM 0 HB2 TYR A 944 10.449 -5.236 -14.608 1.00 41.31 H new ATOM 0 HB3 TYR A 944 11.088 -3.726 -15.225 1.00 41.31 H new ATOM 0 HD1 TYR A 944 8.858 -6.318 -16.788 1.00 44.24 H new ATOM 0 HD2 TYR A 944 9.309 -2.256 -15.582 1.00 3.04 H new ATOM 0 HE1 TYR A 944 6.668 -5.786 -17.761 1.00 61.03 H new ATOM 0 HE2 TYR A 944 7.116 -1.723 -16.548 1.00 62.45 H new ATOM 0 HH TYR A 944 5.338 -2.475 -17.624 1.00 11.20 H new ATOM 583 N ASN A 945 13.875 -5.888 -16.758 1.00 2.21 N ATOM 584 CA ASN A 945 15.304 -5.729 -16.513 1.00 10.15 C ATOM 585 C ASN A 945 16.032 -5.314 -17.787 1.00 61.25 C ATOM 586 O ASN A 945 16.595 -6.152 -18.493 1.00 3.21 O ATOM 587 CB ASN A 945 15.898 -7.032 -15.973 1.00 50.24 C ATOM 588 CG ASN A 945 16.966 -6.790 -14.924 1.00 54.20 C ATOM 589 OD1 ASN A 945 18.025 -6.234 -15.217 1.00 34.35 O ATOM 590 ND2 ASN A 945 16.691 -7.207 -13.694 1.00 21.33 N ATOM 0 H ASN A 945 13.643 -6.594 -17.456 1.00 2.21 H new ATOM 0 HA ASN A 945 15.434 -4.943 -15.770 1.00 10.15 H new ATOM 0 HB2 ASN A 945 15.102 -7.640 -15.543 1.00 50.24 H new ATOM 0 HB3 ASN A 945 16.325 -7.602 -16.798 1.00 50.24 H new ATOM 0 HD21 ASN A 945 17.371 -7.071 -12.946 1.00 21.33 H new ATOM 0 HD22 ASN A 945 15.800 -7.663 -13.497 1.00 21.33 H new ATOM 597 N ILE A 946 16.017 -4.017 -18.076 1.00 34.31 N ATOM 598 CA ILE A 946 16.677 -3.492 -19.264 1.00 54.44 C ATOM 599 C ILE A 946 18.131 -3.946 -19.332 1.00 12.42 C ATOM 600 O ILE A 946 18.650 -4.246 -20.408 1.00 34.32 O ATOM 601 CB ILE A 946 16.629 -1.953 -19.301 1.00 12.44 C ATOM 602 CG1 ILE A 946 17.353 -1.427 -20.542 1.00 24.24 C ATOM 603 CG2 ILE A 946 17.245 -1.374 -18.036 1.00 2.31 C ATOM 604 CD1 ILE A 946 16.786 -1.954 -21.841 1.00 60.30 C ATOM 0 H ILE A 946 15.555 -3.311 -17.503 1.00 34.31 H new ATOM 0 HA ILE A 946 16.136 -3.885 -20.125 1.00 54.44 H new ATOM 0 HB ILE A 946 15.587 -1.638 -19.352 1.00 12.44 H new ATOM 0 HG12 ILE A 946 17.302 -0.338 -20.548 1.00 24.24 H new ATOM 0 HG13 ILE A 946 18.407 -1.697 -20.479 1.00 24.24 H new ATOM 0 HG21 ILE A 946 17.204 -0.286 -18.077 1.00 2.31 H new ATOM 0 HG22 ILE A 946 16.689 -1.726 -17.167 1.00 2.31 H new ATOM 0 HG23 ILE A 946 18.284 -1.695 -17.957 1.00 2.31 H new ATOM 0 HD11 ILE A 946 17.348 -1.539 -22.678 1.00 60.30 H new ATOM 0 HD12 ILE A 946 16.861 -3.041 -21.856 1.00 60.30 H new ATOM 0 HD13 ILE A 946 15.739 -1.662 -21.926 1.00 60.30 H new ATOM 616 N LEU A 947 18.784 -3.995 -18.176 1.00 15.21 N ATOM 617 CA LEU A 947 20.179 -4.414 -18.102 1.00 73.53 C ATOM 618 C LEU A 947 20.373 -5.777 -18.760 1.00 32.24 C ATOM 619 O LEU A 947 21.245 -5.947 -19.611 1.00 23.14 O ATOM 620 CB LEU A 947 20.639 -4.468 -16.645 1.00 25.33 C ATOM 621 CG LEU A 947 20.422 -3.196 -15.825 1.00 24.02 C ATOM 622 CD1 LEU A 947 20.858 -3.409 -14.383 1.00 74.32 C ATOM 623 CD2 LEU A 947 21.176 -2.028 -16.444 1.00 15.41 C ATOM 0 H LEU A 947 18.369 -3.750 -17.277 1.00 15.21 H new ATOM 0 HA LEU A 947 20.782 -3.682 -18.640 1.00 73.53 H new ATOM 0 HB2 LEU A 947 20.118 -5.288 -16.151 1.00 25.33 H new ATOM 0 HB3 LEU A 947 21.702 -4.710 -16.629 1.00 25.33 H new ATOM 0 HG LEU A 947 19.358 -2.960 -15.830 1.00 24.02 H new ATOM 0 HD11 LEU A 947 20.696 -2.493 -13.815 1.00 74.32 H new ATOM 0 HD12 LEU A 947 20.275 -4.217 -13.942 1.00 74.32 H new ATOM 0 HD13 LEU A 947 21.916 -3.669 -14.358 1.00 74.32 H new ATOM 0 HD21 LEU A 947 21.010 -1.131 -15.848 1.00 15.41 H new ATOM 0 HD22 LEU A 947 22.242 -2.255 -16.469 1.00 15.41 H new ATOM 0 HD23 LEU A 947 20.817 -1.860 -17.459 1.00 15.41 H new ATOM 635 N GLN A 948 19.552 -6.743 -18.360 1.00 23.41 N ATOM 636 CA GLN A 948 19.633 -8.091 -18.912 1.00 4.43 C ATOM 637 C GLN A 948 19.099 -8.127 -20.340 1.00 20.13 C ATOM 638 O GLN A 948 19.567 -8.908 -21.169 1.00 12.41 O ATOM 639 CB GLN A 948 18.851 -9.071 -18.036 1.00 53.05 C ATOM 640 CG GLN A 948 19.372 -9.164 -16.611 1.00 71.25 C ATOM 641 CD GLN A 948 20.638 -9.992 -16.506 1.00 13.31 C ATOM 642 OE1 GLN A 948 21.708 -9.472 -16.191 1.00 5.13 O ATOM 643 NE2 GLN A 948 20.522 -11.288 -16.770 1.00 15.14 N ATOM 0 H GLN A 948 18.824 -6.618 -17.657 1.00 23.41 H new ATOM 0 HA GLN A 948 20.682 -8.388 -18.929 1.00 4.43 H new ATOM 0 HB2 GLN A 948 17.804 -8.768 -18.012 1.00 53.05 H new ATOM 0 HB3 GLN A 948 18.886 -10.060 -18.492 1.00 53.05 H new ATOM 0 HG2 GLN A 948 19.566 -8.160 -16.233 1.00 71.25 H new ATOM 0 HG3 GLN A 948 18.603 -9.601 -15.975 1.00 71.25 H new ATOM 0 HE21 GLN A 948 19.615 -11.677 -17.027 1.00 15.14 H new ATOM 0 HE22 GLN A 948 21.340 -11.895 -16.715 1.00 15.14 H new ATOM 652 N VAL A 949 18.116 -7.278 -20.620 1.00 52.33 N ATOM 653 CA VAL A 949 17.518 -7.212 -21.948 1.00 72.14 C ATOM 654 C VAL A 949 18.549 -6.809 -22.996 1.00 43.11 C ATOM 655 O VAL A 949 18.770 -7.525 -23.973 1.00 44.30 O ATOM 656 CB VAL A 949 16.345 -6.214 -21.987 1.00 64.04 C ATOM 657 CG1 VAL A 949 15.792 -6.095 -23.399 1.00 71.12 C ATOM 658 CG2 VAL A 949 15.256 -6.634 -21.012 1.00 71.35 C ATOM 0 H VAL A 949 17.717 -6.626 -19.945 1.00 52.33 H new ATOM 0 HA VAL A 949 17.144 -8.210 -22.176 1.00 72.14 H new ATOM 0 HB VAL A 949 16.714 -5.234 -21.684 1.00 64.04 H new ATOM 0 HG11 VAL A 949 14.964 -5.386 -23.407 1.00 71.12 H new ATOM 0 HG12 VAL A 949 16.577 -5.744 -24.069 1.00 71.12 H new ATOM 0 HG13 VAL A 949 15.438 -7.070 -23.734 1.00 71.12 H new ATOM 0 HG21 VAL A 949 14.435 -5.918 -21.053 1.00 71.35 H new ATOM 0 HG22 VAL A 949 14.888 -7.624 -21.282 1.00 71.35 H new ATOM 0 HG23 VAL A 949 15.663 -6.662 -20.001 1.00 71.35 H new ATOM 668 N VAL A 950 19.179 -5.657 -22.786 1.00 61.30 N ATOM 669 CA VAL A 950 20.189 -5.159 -23.711 1.00 44.55 C ATOM 670 C VAL A 950 21.328 -6.159 -23.873 1.00 4.20 C ATOM 671 O VAL A 950 21.799 -6.408 -24.984 1.00 32.05 O ATOM 672 CB VAL A 950 20.767 -3.811 -23.239 1.00 21.21 C ATOM 673 CG1 VAL A 950 21.854 -3.333 -24.190 1.00 20.24 C ATOM 674 CG2 VAL A 950 19.662 -2.773 -23.114 1.00 4.13 C ATOM 0 H VAL A 950 19.007 -5.052 -21.983 1.00 61.30 H new ATOM 0 HA VAL A 950 19.695 -5.018 -24.672 1.00 44.55 H new ATOM 0 HB VAL A 950 21.215 -3.952 -22.255 1.00 21.21 H new ATOM 0 HG11 VAL A 950 22.250 -2.380 -23.840 1.00 20.24 H new ATOM 0 HG12 VAL A 950 22.657 -4.069 -24.224 1.00 20.24 H new ATOM 0 HG13 VAL A 950 21.435 -3.207 -25.188 1.00 20.24 H new ATOM 0 HG21 VAL A 950 20.088 -1.827 -22.780 1.00 4.13 H new ATOM 0 HG22 VAL A 950 19.183 -2.633 -24.083 1.00 4.13 H new ATOM 0 HG23 VAL A 950 18.922 -3.114 -22.390 1.00 4.13 H new ATOM 684 N THR A 951 21.769 -6.731 -22.757 1.00 31.32 N ATOM 685 CA THR A 951 22.854 -7.705 -22.774 1.00 15.55 C ATOM 686 C THR A 951 22.475 -8.935 -23.589 1.00 63.34 C ATOM 687 O THR A 951 23.331 -9.567 -24.208 1.00 73.23 O ATOM 688 CB THR A 951 23.235 -8.145 -21.348 1.00 30.13 C ATOM 689 OG1 THR A 951 23.674 -7.015 -20.587 1.00 5.44 O ATOM 690 CG2 THR A 951 24.333 -9.198 -21.382 1.00 51.50 C ATOM 0 H THR A 951 21.391 -6.537 -21.830 1.00 31.32 H new ATOM 0 HA THR A 951 23.711 -7.216 -23.237 1.00 15.55 H new ATOM 0 HB THR A 951 22.352 -8.578 -20.877 1.00 30.13 H new ATOM 0 HG1 THR A 951 22.898 -6.561 -20.198 1.00 5.44 H new ATOM 0 HG21 THR A 951 24.586 -9.493 -20.364 1.00 51.50 H new ATOM 0 HG22 THR A 951 23.985 -10.069 -21.937 1.00 51.50 H new ATOM 0 HG23 THR A 951 25.217 -8.787 -21.870 1.00 51.50 H new ATOM 698 N GLU A 952 21.189 -9.269 -23.586 1.00 75.41 N ATOM 699 CA GLU A 952 20.698 -10.426 -24.327 1.00 4.20 C ATOM 700 C GLU A 952 20.783 -10.184 -25.831 1.00 62.13 C ATOM 701 O GLU A 952 21.432 -10.938 -26.557 1.00 64.23 O ATOM 702 CB GLU A 952 19.254 -10.739 -23.930 1.00 41.22 C ATOM 703 CG GLU A 952 18.902 -12.213 -24.030 1.00 35.41 C ATOM 704 CD GLU A 952 19.232 -12.979 -22.763 1.00 72.14 C ATOM 705 OE1 GLU A 952 19.656 -12.341 -21.777 1.00 73.32 O ATOM 706 OE2 GLU A 952 19.066 -14.217 -22.759 1.00 32.00 O ATOM 0 H GLU A 952 20.468 -8.756 -23.079 1.00 75.41 H new ATOM 0 HA GLU A 952 21.328 -11.280 -24.077 1.00 4.20 H new ATOM 0 HB2 GLU A 952 19.086 -10.403 -22.907 1.00 41.22 H new ATOM 0 HB3 GLU A 952 18.579 -10.169 -24.568 1.00 41.22 H new ATOM 0 HG2 GLU A 952 17.838 -12.315 -24.245 1.00 35.41 H new ATOM 0 HG3 GLU A 952 19.440 -12.655 -24.868 1.00 35.41 H new ATOM 713 N LEU A 953 20.122 -9.128 -26.293 1.00 25.02 N ATOM 714 CA LEU A 953 20.122 -8.786 -27.711 1.00 12.31 C ATOM 715 C LEU A 953 21.546 -8.695 -28.250 1.00 32.40 C ATOM 716 O LEU A 953 21.815 -9.075 -29.391 1.00 15.43 O ATOM 717 CB LEU A 953 19.394 -7.459 -27.935 1.00 43.01 C ATOM 718 CG LEU A 953 17.879 -7.547 -28.118 1.00 73.00 C ATOM 719 CD1 LEU A 953 17.257 -8.397 -27.021 1.00 1.24 C ATOM 720 CD2 LEU A 953 17.261 -6.156 -28.132 1.00 65.22 C ATOM 0 H LEU A 953 19.579 -8.494 -25.706 1.00 25.02 H new ATOM 0 HA LEU A 953 19.600 -9.576 -28.250 1.00 12.31 H new ATOM 0 HB2 LEU A 953 19.600 -6.807 -27.086 1.00 43.01 H new ATOM 0 HB3 LEU A 953 19.819 -6.979 -28.816 1.00 43.01 H new ATOM 0 HG LEU A 953 17.676 -8.023 -29.077 1.00 73.00 H new ATOM 0 HD11 LEU A 953 16.178 -8.448 -27.168 1.00 1.24 H new ATOM 0 HD12 LEU A 953 17.676 -9.402 -27.058 1.00 1.24 H new ATOM 0 HD13 LEU A 953 17.470 -7.950 -26.050 1.00 1.24 H new ATOM 0 HD21 LEU A 953 16.182 -6.239 -28.263 1.00 65.22 H new ATOM 0 HD22 LEU A 953 17.474 -5.654 -27.189 1.00 65.22 H new ATOM 0 HD23 LEU A 953 17.683 -5.578 -28.954 1.00 65.22 H new ATOM 732 N LEU A 954 22.455 -8.193 -27.422 1.00 43.03 N ATOM 733 CA LEU A 954 23.854 -8.055 -27.815 1.00 14.14 C ATOM 734 C LEU A 954 24.491 -9.421 -28.047 1.00 4.21 C ATOM 735 O LEU A 954 24.925 -9.733 -29.156 1.00 1.24 O ATOM 736 CB LEU A 954 24.632 -7.292 -26.741 1.00 51.24 C ATOM 737 CG LEU A 954 24.606 -5.767 -26.850 1.00 41.23 C ATOM 738 CD1 LEU A 954 25.367 -5.136 -25.695 1.00 22.14 C ATOM 739 CD2 LEU A 954 25.188 -5.317 -28.183 1.00 33.42 C ATOM 0 H LEU A 954 22.249 -7.875 -26.475 1.00 43.03 H new ATOM 0 HA LEU A 954 23.891 -7.494 -28.749 1.00 14.14 H new ATOM 0 HB2 LEU A 954 24.236 -7.573 -25.765 1.00 51.24 H new ATOM 0 HB3 LEU A 954 25.671 -7.621 -26.771 1.00 51.24 H new ATOM 0 HG LEU A 954 23.569 -5.436 -26.799 1.00 41.23 H new ATOM 0 HD11 LEU A 954 25.338 -4.051 -25.790 1.00 22.14 H new ATOM 0 HD12 LEU A 954 24.907 -5.431 -24.752 1.00 22.14 H new ATOM 0 HD13 LEU A 954 26.403 -5.474 -25.714 1.00 22.14 H new ATOM 0 HD21 LEU A 954 25.161 -4.229 -28.243 1.00 33.42 H new ATOM 0 HD22 LEU A 954 26.220 -5.660 -28.264 1.00 33.42 H new ATOM 0 HD23 LEU A 954 24.600 -5.740 -28.998 1.00 33.42 H new