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 30:sc= 0.0593 USER MOD Single : A 921 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 923 HIS :FLIP no HD1:sc= -0.315 F(o=-0.86,f=-0.32) 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 X(o=0,f=0) USER MOD Single : A 935 ASN : amide:sc= -4.86! C(o=-4.9!,f=-7.1!) USER MOD Single : A 940 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 941 LYS NZ :NH3+ -123:sc= 0.72 (180deg=-0.964) USER MOD Single : A 942 HIS : no HE2:sc= -5.24! C(o=-5.2!,f=-7.1!) USER MOD Single : A 943 ASN : amide:sc= -0.283 X(o=-0.28,f=-0.28) USER MOD Single : A 944 TYR OH : rot 180:sc= 0 USER MOD Single : A 945 ASN :FLIP amide:sc= -0.0162 F(o=-0.54,f=-0.016) USER MOD Single : A 948 GLN : amide:sc= -0.297 X(o=-0.3,f=-0.0028) USER MOD Single : A 951 THR OG1 : rot 87:sc= 0.643 USER MOD ----------------------------------------------------------------- ATOM 114 N THR A 917 8.067 1.302 -19.845 1.00 11.30 N ATOM 115 CA THR A 917 8.711 0.467 -20.851 1.00 10.40 C ATOM 116 C THR A 917 9.200 1.303 -22.028 1.00 51.33 C ATOM 117 O THR A 917 10.285 1.070 -22.559 1.00 61.43 O ATOM 118 CB THR A 917 7.755 -0.623 -21.372 1.00 5.22 C ATOM 119 OG1 THR A 917 7.333 -1.461 -20.290 1.00 54.15 O ATOM 120 CG2 THR A 917 8.431 -1.468 -22.441 1.00 74.22 C ATOM 0 HA THR A 917 9.564 -0.009 -20.368 1.00 10.40 H new ATOM 0 HB THR A 917 6.886 -0.134 -21.813 1.00 5.22 H new ATOM 0 HG1 THR A 917 7.317 -0.940 -19.460 1.00 54.15 H new ATOM 0 HG21 THR A 917 7.737 -2.231 -22.794 1.00 74.22 H new ATOM 0 HG22 THR A 917 8.726 -0.832 -23.275 1.00 74.22 H new ATOM 0 HG23 THR A 917 9.315 -1.948 -22.021 1.00 74.22 H new ATOM 128 N ALA A 918 8.392 2.279 -22.431 1.00 63.11 N ATOM 129 CA ALA A 918 8.745 3.151 -23.544 1.00 54.52 C ATOM 130 C ALA A 918 10.125 3.767 -23.343 1.00 42.34 C ATOM 131 O ALA A 918 10.876 3.957 -24.300 1.00 73.21 O ATOM 132 CB ALA A 918 7.697 4.242 -23.712 1.00 3.44 C ATOM 0 H ALA A 918 7.489 2.485 -22.003 1.00 63.11 H new ATOM 0 HA ALA A 918 8.775 2.547 -24.451 1.00 54.52 H new ATOM 0 HB1 ALA A 918 7.973 4.886 -24.547 1.00 3.44 H new ATOM 0 HB2 ALA A 918 6.727 3.787 -23.910 1.00 3.44 H new ATOM 0 HB3 ALA A 918 7.640 4.835 -22.799 1.00 3.44 H new ATOM 138 N ALA A 919 10.453 4.078 -22.094 1.00 2.13 N ATOM 139 CA ALA A 919 11.744 4.671 -21.768 1.00 2.42 C ATOM 140 C ALA A 919 12.856 3.628 -21.816 1.00 15.30 C ATOM 141 O ALA A 919 13.968 3.912 -22.262 1.00 61.20 O ATOM 142 CB ALA A 919 11.692 5.327 -20.396 1.00 3.31 C ATOM 0 H ALA A 919 9.842 3.929 -21.291 1.00 2.13 H new ATOM 0 HA ALA A 919 11.965 5.433 -22.515 1.00 2.42 H new ATOM 0 HB1 ALA A 919 12.663 5.766 -20.165 1.00 3.31 H new ATOM 0 HB2 ALA A 919 10.931 6.108 -20.395 1.00 3.31 H new ATOM 0 HB3 ALA A 919 11.444 4.578 -19.644 1.00 3.31 H new ATOM 148 N LEU A 920 12.548 2.421 -21.354 1.00 1.53 N ATOM 149 CA LEU A 920 13.522 1.335 -21.343 1.00 52.25 C ATOM 150 C LEU A 920 13.911 0.939 -22.764 1.00 75.02 C ATOM 151 O LEU A 920 15.073 0.645 -23.041 1.00 30.52 O ATOM 152 CB LEU A 920 12.956 0.124 -20.601 1.00 32.33 C ATOM 153 CG LEU A 920 12.301 0.411 -19.249 1.00 60.21 C ATOM 154 CD1 LEU A 920 11.893 -0.886 -18.568 1.00 34.04 C ATOM 155 CD2 LEU A 920 13.242 1.209 -18.359 1.00 44.43 C ATOM 0 H LEU A 920 11.632 2.170 -20.982 1.00 1.53 H new ATOM 0 HA LEU A 920 14.415 1.685 -20.826 1.00 52.25 H new ATOM 0 HB2 LEU A 920 12.220 -0.359 -21.244 1.00 32.33 H new ATOM 0 HB3 LEU A 920 13.763 -0.592 -20.446 1.00 32.33 H new ATOM 0 HG LEU A 920 11.404 1.006 -19.421 1.00 60.21 H new ATOM 0 HD11 LEU A 920 11.429 -0.662 -17.608 1.00 34.04 H new ATOM 0 HD12 LEU A 920 11.182 -1.420 -19.199 1.00 34.04 H new ATOM 0 HD13 LEU A 920 12.775 -1.506 -18.409 1.00 34.04 H new ATOM 0 HD21 LEU A 920 12.759 1.404 -17.401 1.00 44.43 H new ATOM 0 HD22 LEU A 920 14.157 0.640 -18.195 1.00 44.43 H new ATOM 0 HD23 LEU A 920 13.485 2.155 -18.842 1.00 44.43 H new ATOM 167 N MET A 921 12.930 0.936 -23.661 1.00 41.14 N ATOM 168 CA MET A 921 13.171 0.580 -25.055 1.00 31.52 C ATOM 169 C MET A 921 14.177 1.532 -25.694 1.00 22.55 C ATOM 170 O MET A 921 14.997 1.123 -26.516 1.00 33.04 O ATOM 171 CB MET A 921 11.860 0.601 -25.843 1.00 32.21 C ATOM 172 CG MET A 921 10.770 -0.265 -25.232 1.00 55.51 C ATOM 173 SD MET A 921 10.451 -1.759 -26.190 1.00 14.33 S ATOM 174 CE MET A 921 9.026 -1.249 -27.149 1.00 3.25 C ATOM 0 H MET A 921 11.962 1.176 -23.448 1.00 41.14 H new ATOM 0 HA MET A 921 13.585 -0.428 -25.080 1.00 31.52 H new ATOM 0 HB2 MET A 921 11.502 1.628 -25.909 1.00 32.21 H new ATOM 0 HB3 MET A 921 12.052 0.264 -26.862 1.00 32.21 H new ATOM 0 HG2 MET A 921 11.058 -0.543 -24.218 1.00 55.51 H new ATOM 0 HG3 MET A 921 9.851 0.316 -25.155 1.00 55.51 H new ATOM 0 HE1 MET A 921 8.709 -2.069 -27.794 1.00 3.25 H new ATOM 0 HE2 MET A 921 8.212 -0.981 -26.476 1.00 3.25 H new ATOM 0 HE3 MET A 921 9.289 -0.387 -27.762 1.00 3.25 H new ATOM 184 N ALA A 922 14.109 2.802 -25.310 1.00 52.21 N ATOM 185 CA ALA A 922 15.015 3.811 -25.844 1.00 50.23 C ATOM 186 C ALA A 922 16.459 3.511 -25.458 1.00 44.33 C ATOM 187 O ALA A 922 17.393 3.886 -26.169 1.00 20.42 O ATOM 188 CB ALA A 922 14.612 5.194 -25.355 1.00 1.40 C ATOM 0 H ALA A 922 13.436 3.157 -24.631 1.00 52.21 H new ATOM 0 HA ALA A 922 14.945 3.788 -26.931 1.00 50.23 H new ATOM 0 HB1 ALA A 922 15.297 5.938 -25.762 1.00 1.40 H new ATOM 0 HB2 ALA A 922 13.598 5.416 -25.686 1.00 1.40 H new ATOM 0 HB3 ALA A 922 14.652 5.221 -24.266 1.00 1.40 H new ATOM 194 N HIS A 923 16.637 2.835 -24.328 1.00 32.50 N ATOM 195 CA HIS A 923 17.969 2.485 -23.847 1.00 72.45 C ATOM 196 C HIS A 923 18.644 1.495 -24.792 1.00 24.00 C ATOM 197 O HIS A 923 19.854 1.561 -25.016 1.00 11.12 O ATOM 198 CB HIS A 923 17.887 1.891 -22.441 1.00 71.50 C ATOM 199 CG HIS A 923 17.309 2.829 -21.427 1.00 41.21 C ATOM 200 ND1 HIS A 923 16.785 2.595 -20.201 1.00 4.15 N flip ATOM 201 CD2 HIS A 923 17.222 4.191 -21.626 1.00 44.11 C flip ATOM 202 CE1 HIS A 923 16.397 3.807 -19.686 1.00 1.22 C flip ATOM 203 NE2 HIS A 923 16.672 4.754 -20.565 1.00 1.41 N flip ATOM 0 H HIS A 923 15.876 2.518 -23.728 1.00 32.50 H new ATOM 0 HA HIS A 923 18.568 3.395 -23.814 1.00 72.45 H new ATOM 0 HB2 HIS A 923 17.281 0.985 -22.473 1.00 71.50 H new ATOM 0 HB3 HIS A 923 18.886 1.595 -22.122 1.00 71.50 H new ATOM 0 HD2 HIS A 923 17.552 4.715 -22.511 1.00 44.11 H new ATOM 0 HE1 HIS A 923 15.941 3.961 -18.719 1.00 1.22 H new ATOM 0 HE2 HIS A 923 16.491 5.751 -20.445 1.00 1.41 H new ATOM 211 N LEU A 924 17.857 0.578 -25.343 1.00 15.14 N ATOM 212 CA LEU A 924 18.379 -0.426 -26.263 1.00 35.43 C ATOM 213 C LEU A 924 18.613 0.172 -27.646 1.00 73.22 C ATOM 214 O LEU A 924 19.649 -0.063 -28.268 1.00 51.13 O ATOM 215 CB LEU A 924 17.411 -1.607 -26.362 1.00 62.22 C ATOM 216 CG LEU A 924 17.051 -2.292 -25.044 1.00 32.54 C ATOM 217 CD1 LEU A 924 15.569 -2.126 -24.743 1.00 63.10 C ATOM 218 CD2 LEU A 924 17.425 -3.767 -25.089 1.00 3.30 C ATOM 0 H LEU A 924 16.854 0.509 -25.169 1.00 15.14 H new ATOM 0 HA LEU A 924 19.334 -0.778 -25.874 1.00 35.43 H new ATOM 0 HB2 LEU A 924 16.491 -1.258 -26.830 1.00 62.22 H new ATOM 0 HB3 LEU A 924 17.845 -2.352 -27.029 1.00 62.22 H new ATOM 0 HG LEU A 924 17.619 -1.818 -24.244 1.00 32.54 H new ATOM 0 HD11 LEU A 924 15.331 -2.620 -23.801 1.00 63.10 H new ATOM 0 HD12 LEU A 924 15.330 -1.065 -24.667 1.00 63.10 H new ATOM 0 HD13 LEU A 924 14.982 -2.573 -25.545 1.00 63.10 H new ATOM 0 HD21 LEU A 924 17.161 -4.238 -24.142 1.00 3.30 H new ATOM 0 HD22 LEU A 924 16.884 -4.255 -25.900 1.00 3.30 H new ATOM 0 HD23 LEU A 924 18.497 -3.865 -25.257 1.00 3.30 H new ATOM 230 N PHE A 925 17.644 0.947 -28.121 1.00 51.44 N ATOM 231 CA PHE A 925 17.745 1.581 -29.431 1.00 71.11 C ATOM 232 C PHE A 925 18.996 2.450 -29.520 1.00 14.43 C ATOM 233 O PHE A 925 19.546 2.654 -30.601 1.00 4.31 O ATOM 234 CB PHE A 925 16.501 2.427 -29.709 1.00 11.20 C ATOM 235 CG PHE A 925 15.216 1.657 -29.603 1.00 72.13 C ATOM 236 CD1 PHE A 925 15.132 0.356 -30.072 1.00 23.41 C ATOM 237 CD2 PHE A 925 14.092 2.234 -29.035 1.00 34.31 C ATOM 238 CE1 PHE A 925 13.951 -0.355 -29.977 1.00 32.15 C ATOM 239 CE2 PHE A 925 12.907 1.528 -28.936 1.00 63.35 C ATOM 240 CZ PHE A 925 12.837 0.231 -29.407 1.00 44.10 C ATOM 0 H PHE A 925 16.780 1.151 -27.619 1.00 51.44 H new ATOM 0 HA PHE A 925 17.816 0.795 -30.183 1.00 71.11 H new ATOM 0 HB2 PHE A 925 16.474 3.261 -29.008 1.00 11.20 H new ATOM 0 HB3 PHE A 925 16.578 2.854 -30.709 1.00 11.20 H new ATOM 0 HD1 PHE A 925 16.000 -0.108 -30.517 1.00 23.41 H new ATOM 0 HD2 PHE A 925 14.142 3.247 -28.665 1.00 34.31 H new ATOM 0 HE1 PHE A 925 13.899 -1.368 -30.348 1.00 32.15 H new ATOM 0 HE2 PHE A 925 12.038 1.990 -28.491 1.00 63.35 H new ATOM 0 HZ PHE A 925 11.914 -0.324 -29.330 1.00 44.10 H new ATOM 250 N GLU A 926 19.437 2.960 -28.374 1.00 41.30 N ATOM 251 CA GLU A 926 20.622 3.809 -28.323 1.00 13.04 C ATOM 252 C GLU A 926 21.872 3.022 -28.705 1.00 31.13 C ATOM 253 O GLU A 926 22.875 3.597 -29.127 1.00 20.35 O ATOM 254 CB GLU A 926 20.789 4.405 -26.923 1.00 52.24 C ATOM 255 CG GLU A 926 19.916 5.624 -26.673 1.00 22.43 C ATOM 256 CD GLU A 926 19.645 5.854 -25.199 1.00 24.25 C ATOM 257 OE1 GLU A 926 20.607 5.800 -24.404 1.00 24.42 O ATOM 258 OE2 GLU A 926 18.473 6.088 -24.840 1.00 34.14 O ATOM 0 H GLU A 926 18.992 2.800 -27.470 1.00 41.30 H new ATOM 0 HA GLU A 926 20.490 4.618 -29.041 1.00 13.04 H new ATOM 0 HB2 GLU A 926 20.553 3.641 -26.182 1.00 52.24 H new ATOM 0 HB3 GLU A 926 21.833 4.680 -26.776 1.00 52.24 H new ATOM 0 HG2 GLU A 926 20.401 6.506 -27.091 1.00 22.43 H new ATOM 0 HG3 GLU A 926 18.969 5.502 -27.198 1.00 22.43 H new ATOM 265 N MET A 927 21.803 1.703 -28.553 1.00 3.40 N ATOM 266 CA MET A 927 22.929 0.837 -28.883 1.00 20.05 C ATOM 267 C MET A 927 22.982 0.561 -30.382 1.00 31.02 C ATOM 268 O MET A 927 24.057 0.532 -30.980 1.00 14.31 O ATOM 269 CB MET A 927 22.828 -0.481 -28.113 1.00 21.33 C ATOM 270 CG MET A 927 22.969 -0.319 -26.608 1.00 4.40 C ATOM 271 SD MET A 927 24.686 -0.133 -26.088 1.00 32.24 S ATOM 272 CE MET A 927 24.503 -0.149 -24.306 1.00 0.41 C ATOM 0 H MET A 927 20.980 1.211 -28.204 1.00 3.40 H new ATOM 0 HA MET A 927 23.847 1.349 -28.594 1.00 20.05 H new ATOM 0 HB2 MET A 927 21.867 -0.947 -28.331 1.00 21.33 H new ATOM 0 HB3 MET A 927 23.601 -1.161 -28.471 1.00 21.33 H new ATOM 0 HG2 MET A 927 22.399 0.552 -26.285 1.00 4.40 H new ATOM 0 HG3 MET A 927 22.535 -1.186 -26.111 1.00 4.40 H new ATOM 0 HE1 MET A 927 25.482 -0.043 -23.839 1.00 0.41 H new ATOM 0 HE2 MET A 927 23.862 0.678 -23.999 1.00 0.41 H new ATOM 0 HE3 MET A 927 24.053 -1.092 -23.995 1.00 0.41 H new ATOM 282 N GLY A 928 21.814 0.358 -30.983 1.00 74.15 N ATOM 283 CA GLY A 928 21.750 0.086 -32.408 1.00 0.43 C ATOM 284 C GLY A 928 21.062 -1.228 -32.717 1.00 61.50 C ATOM 285 O GLY A 928 21.343 -1.860 -33.736 1.00 2.11 O ATOM 0 H GLY A 928 20.911 0.377 -30.509 1.00 74.15 H new ATOM 0 HA2 GLY A 928 21.218 0.897 -32.906 1.00 0.43 H new ATOM 0 HA3 GLY A 928 22.760 0.069 -32.817 1.00 0.43 H new ATOM 289 N PHE A 929 20.159 -1.644 -31.835 1.00 40.21 N ATOM 290 CA PHE A 929 19.431 -2.894 -32.018 1.00 13.03 C ATOM 291 C PHE A 929 18.243 -2.700 -32.956 1.00 1.53 C ATOM 292 O PHE A 929 18.142 -3.358 -33.992 1.00 22.25 O ATOM 293 CB PHE A 929 18.947 -3.429 -30.668 1.00 50.22 C ATOM 294 CG PHE A 929 20.046 -4.008 -29.824 1.00 60.11 C ATOM 295 CD1 PHE A 929 20.938 -4.924 -30.358 1.00 43.21 C ATOM 296 CD2 PHE A 929 20.187 -3.637 -28.496 1.00 75.35 C ATOM 297 CE1 PHE A 929 21.951 -5.459 -29.584 1.00 41.42 C ATOM 298 CE2 PHE A 929 21.197 -4.168 -27.718 1.00 25.31 C ATOM 299 CZ PHE A 929 22.080 -5.081 -28.262 1.00 40.00 C ATOM 0 H PHE A 929 19.914 -1.134 -30.987 1.00 40.21 H new ATOM 0 HA PHE A 929 20.111 -3.619 -32.466 1.00 13.03 H new ATOM 0 HB2 PHE A 929 18.465 -2.621 -30.118 1.00 50.22 H new ATOM 0 HB3 PHE A 929 18.190 -4.194 -30.840 1.00 50.22 H new ATOM 0 HD1 PHE A 929 20.841 -5.224 -31.391 1.00 43.21 H new ATOM 0 HD2 PHE A 929 19.499 -2.925 -28.065 1.00 75.35 H new ATOM 0 HE1 PHE A 929 22.640 -6.171 -30.013 1.00 41.42 H new ATOM 0 HE2 PHE A 929 21.297 -3.870 -26.685 1.00 25.31 H new ATOM 0 HZ PHE A 929 22.870 -5.498 -27.655 1.00 40.00 H new ATOM 309 N CYS A 930 17.347 -1.792 -32.585 1.00 52.01 N ATOM 310 CA CYS A 930 16.165 -1.511 -33.392 1.00 15.11 C ATOM 311 C CYS A 930 15.261 -2.737 -33.478 1.00 11.44 C ATOM 312 O CYS A 930 14.755 -3.073 -34.548 1.00 73.42 O ATOM 313 CB CYS A 930 16.574 -1.065 -34.796 1.00 62.13 C ATOM 314 SG CYS A 930 15.302 -0.125 -35.673 1.00 24.12 S ATOM 0 H CYS A 930 17.416 -1.238 -31.731 1.00 52.01 H new ATOM 0 HA CYS A 930 15.610 -0.706 -32.910 1.00 15.11 H new ATOM 0 HB2 CYS A 930 17.475 -0.456 -34.724 1.00 62.13 H new ATOM 0 HB3 CYS A 930 16.830 -1.946 -35.385 1.00 62.13 H new ATOM 0 HG CYS A 930 15.743 0.209 -36.850 1.00 24.12 H new ATOM 320 N ASP A 931 15.064 -3.400 -32.344 1.00 21.31 N ATOM 321 CA ASP A 931 14.222 -4.590 -32.290 1.00 51.35 C ATOM 322 C ASP A 931 13.170 -4.462 -31.193 1.00 52.43 C ATOM 323 O ASP A 931 13.317 -5.026 -30.109 1.00 62.44 O ATOM 324 CB ASP A 931 15.076 -5.836 -32.052 1.00 5.51 C ATOM 325 CG ASP A 931 16.028 -6.113 -33.199 1.00 73.52 C ATOM 326 OD1 ASP A 931 15.586 -6.708 -34.205 1.00 2.34 O ATOM 327 OD2 ASP A 931 17.214 -5.738 -33.091 1.00 50.42 O ATOM 0 H ASP A 931 15.476 -3.134 -31.450 1.00 21.31 H new ATOM 0 HA ASP A 931 13.712 -4.687 -33.248 1.00 51.35 H new ATOM 0 HB2 ASP A 931 15.647 -5.711 -31.132 1.00 5.51 H new ATOM 0 HB3 ASP A 931 14.424 -6.698 -31.908 1.00 5.51 H new ATOM 332 N ARG A 932 12.109 -3.715 -31.482 1.00 40.20 N ATOM 333 CA ARG A 932 11.033 -3.511 -30.519 1.00 45.32 C ATOM 334 C ARG A 932 10.429 -4.844 -30.089 1.00 55.21 C ATOM 335 O ARG A 932 9.884 -4.963 -28.992 1.00 23.42 O ATOM 336 CB ARG A 932 9.947 -2.615 -31.118 1.00 63.10 C ATOM 337 CG ARG A 932 9.040 -3.334 -32.103 1.00 13.03 C ATOM 338 CD ARG A 932 9.773 -3.673 -33.391 1.00 21.52 C ATOM 339 NE ARG A 932 8.878 -3.682 -34.545 1.00 12.34 N ATOM 340 CZ ARG A 932 9.301 -3.679 -35.804 1.00 5.34 C ATOM 341 NH1 ARG A 932 10.600 -3.668 -36.069 1.00 64.24 N ATOM 342 NH2 ARG A 932 8.425 -3.687 -36.800 1.00 0.32 N ATOM 0 H ARG A 932 11.972 -3.241 -32.375 1.00 40.20 H new ATOM 0 HA ARG A 932 11.453 -3.022 -29.640 1.00 45.32 H new ATOM 0 HB2 ARG A 932 9.340 -2.205 -30.311 1.00 63.10 H new ATOM 0 HB3 ARG A 932 10.420 -1.772 -31.621 1.00 63.10 H new ATOM 0 HG2 ARG A 932 8.660 -4.249 -31.648 1.00 13.03 H new ATOM 0 HG3 ARG A 932 8.177 -2.708 -32.328 1.00 13.03 H new ATOM 0 HD2 ARG A 932 10.570 -2.948 -33.556 1.00 21.52 H new ATOM 0 HD3 ARG A 932 10.247 -4.650 -33.292 1.00 21.52 H new ATOM 0 HE ARG A 932 7.872 -3.691 -34.375 1.00 12.34 H new ATOM 0 HH11 ARG A 932 11.276 -3.662 -35.305 1.00 64.24 H new ATOM 0 HH12 ARG A 932 10.923 -3.666 -37.036 1.00 64.24 H new ATOM 0 HH21 ARG A 932 7.425 -3.695 -36.600 1.00 0.32 H new ATOM 0 HH22 ARG A 932 8.751 -3.685 -37.766 1.00 0.32 H new ATOM 356 N GLN A 933 10.528 -5.842 -30.961 1.00 51.33 N ATOM 357 CA GLN A 933 9.989 -7.165 -30.672 1.00 22.44 C ATOM 358 C GLN A 933 10.829 -7.876 -29.615 1.00 45.25 C ATOM 359 O GLN A 933 10.296 -8.445 -28.662 1.00 41.20 O ATOM 360 CB GLN A 933 9.934 -8.007 -31.948 1.00 21.24 C ATOM 361 CG GLN A 933 9.113 -7.374 -33.059 1.00 74.30 C ATOM 362 CD GLN A 933 8.539 -8.400 -34.017 1.00 42.42 C ATOM 363 OE1 GLN A 933 7.553 -9.070 -33.710 1.00 62.21 O ATOM 364 NE2 GLN A 933 9.155 -8.527 -35.187 1.00 1.32 N ATOM 0 H GLN A 933 10.977 -5.759 -31.873 1.00 51.33 H new ATOM 0 HA GLN A 933 8.978 -7.041 -30.284 1.00 22.44 H new ATOM 0 HB2 GLN A 933 10.949 -8.174 -32.308 1.00 21.24 H new ATOM 0 HB3 GLN A 933 9.516 -8.985 -31.710 1.00 21.24 H new ATOM 0 HG2 GLN A 933 8.299 -6.797 -32.620 1.00 74.30 H new ATOM 0 HG3 GLN A 933 9.738 -6.674 -33.614 1.00 74.30 H new ATOM 0 HE21 GLN A 933 9.969 -7.951 -35.400 1.00 1.32 H new ATOM 0 HE22 GLN A 933 8.814 -9.201 -35.873 1.00 1.32 H new ATOM 373 N LEU A 934 12.146 -7.840 -29.791 1.00 53.53 N ATOM 374 CA LEU A 934 13.061 -8.480 -28.853 1.00 72.41 C ATOM 375 C LEU A 934 12.937 -7.863 -27.464 1.00 4.40 C ATOM 376 O LEU A 934 12.735 -8.567 -26.476 1.00 74.44 O ATOM 377 CB LEU A 934 14.502 -8.358 -29.352 1.00 33.51 C ATOM 378 CG LEU A 934 15.072 -9.586 -30.064 1.00 12.14 C ATOM 379 CD1 LEU A 934 14.109 -10.078 -31.133 1.00 40.11 C ATOM 380 CD2 LEU A 934 16.430 -9.267 -30.672 1.00 32.02 C ATOM 0 H LEU A 934 12.603 -7.374 -30.575 1.00 53.53 H new ATOM 0 HA LEU A 934 12.795 -9.535 -28.786 1.00 72.41 H new ATOM 0 HB2 LEU A 934 14.559 -7.509 -30.033 1.00 33.51 H new ATOM 0 HB3 LEU A 934 15.142 -8.127 -28.500 1.00 33.51 H new ATOM 0 HG LEU A 934 15.203 -10.380 -29.329 1.00 12.14 H new ATOM 0 HD11 LEU A 934 14.531 -10.952 -31.629 1.00 40.11 H new ATOM 0 HD12 LEU A 934 13.159 -10.347 -30.671 1.00 40.11 H new ATOM 0 HD13 LEU A 934 13.945 -9.289 -31.867 1.00 40.11 H new ATOM 0 HD21 LEU A 934 16.821 -10.152 -31.174 1.00 32.02 H new ATOM 0 HD22 LEU A 934 16.324 -8.457 -31.394 1.00 32.02 H new ATOM 0 HD23 LEU A 934 17.119 -8.963 -29.884 1.00 32.02 H new ATOM 392 N ASN A 935 13.059 -6.541 -27.397 1.00 4.21 N ATOM 393 CA ASN A 935 12.960 -5.828 -26.129 1.00 11.53 C ATOM 394 C ASN A 935 11.653 -6.164 -25.416 1.00 65.32 C ATOM 395 O ASN A 935 11.577 -6.130 -24.187 1.00 60.33 O ATOM 396 CB ASN A 935 13.053 -4.318 -26.360 1.00 42.01 C ATOM 397 CG ASN A 935 14.121 -3.953 -27.374 1.00 34.33 C ATOM 398 OD1 ASN A 935 15.231 -4.485 -27.341 1.00 55.05 O ATOM 399 ND2 ASN A 935 13.789 -3.042 -28.280 1.00 55.34 N ATOM 0 H ASN A 935 13.226 -5.942 -28.206 1.00 4.21 H new ATOM 0 HA ASN A 935 13.790 -6.145 -25.498 1.00 11.53 H new ATOM 0 HB2 ASN A 935 12.088 -3.945 -26.703 1.00 42.01 H new ATOM 0 HB3 ASN A 935 13.269 -3.821 -25.414 1.00 42.01 H new ATOM 0 HD21 ASN A 935 14.466 -2.756 -28.987 1.00 55.34 H new ATOM 0 HD22 ASN A 935 12.857 -2.628 -28.269 1.00 55.34 H new ATOM 406 N LEU A 936 10.628 -6.490 -26.195 1.00 41.35 N ATOM 407 CA LEU A 936 9.324 -6.834 -25.640 1.00 11.22 C ATOM 408 C LEU A 936 9.348 -8.225 -25.014 1.00 4.40 C ATOM 409 O LEU A 936 8.944 -8.407 -23.866 1.00 11.55 O ATOM 410 CB LEU A 936 8.251 -6.771 -26.728 1.00 40.24 C ATOM 411 CG LEU A 936 6.826 -6.487 -26.251 1.00 63.10 C ATOM 412 CD1 LEU A 936 6.330 -7.610 -25.354 1.00 23.32 C ATOM 413 CD2 LEU A 936 6.764 -5.153 -25.522 1.00 51.31 C ATOM 0 H LEU A 936 10.675 -6.523 -27.213 1.00 41.35 H new ATOM 0 HA LEU A 936 9.086 -6.109 -24.862 1.00 11.22 H new ATOM 0 HB2 LEU A 936 8.533 -5.999 -27.444 1.00 40.24 H new ATOM 0 HB3 LEU A 936 8.251 -7.720 -27.265 1.00 40.24 H new ATOM 0 HG LEU A 936 6.175 -6.432 -27.124 1.00 63.10 H new ATOM 0 HD11 LEU A 936 5.315 -7.391 -25.024 1.00 23.32 H new ATOM 0 HD12 LEU A 936 6.337 -8.548 -25.908 1.00 23.32 H new ATOM 0 HD13 LEU A 936 6.983 -7.697 -24.485 1.00 23.32 H new ATOM 0 HD21 LEU A 936 5.743 -4.967 -25.190 1.00 51.31 H new ATOM 0 HD22 LEU A 936 7.428 -5.179 -24.658 1.00 51.31 H new ATOM 0 HD23 LEU A 936 7.077 -4.355 -26.196 1.00 51.31 H new ATOM 425 N ARG A 937 9.827 -9.202 -25.776 1.00 64.40 N ATOM 426 CA ARG A 937 9.906 -10.577 -25.296 1.00 12.33 C ATOM 427 C ARG A 937 10.950 -10.708 -24.191 1.00 11.33 C ATOM 428 O ARG A 937 10.837 -11.565 -23.314 1.00 20.24 O ATOM 429 CB ARG A 937 10.246 -11.524 -26.448 1.00 51.42 C ATOM 430 CG ARG A 937 11.734 -11.612 -26.745 1.00 20.12 C ATOM 431 CD ARG A 937 12.374 -12.795 -26.035 1.00 42.10 C ATOM 432 NE ARG A 937 11.769 -14.064 -26.431 1.00 10.30 N ATOM 433 CZ ARG A 937 12.229 -15.249 -26.047 1.00 22.03 C ATOM 434 NH1 ARG A 937 13.294 -15.327 -25.260 1.00 73.32 N ATOM 435 NH2 ARG A 937 11.624 -16.359 -26.449 1.00 31.33 N ATOM 0 H ARG A 937 10.166 -9.068 -26.728 1.00 64.40 H new ATOM 0 HA ARG A 937 8.933 -10.848 -24.887 1.00 12.33 H new ATOM 0 HB2 ARG A 937 9.872 -12.520 -26.211 1.00 51.42 H new ATOM 0 HB3 ARG A 937 9.724 -11.193 -27.346 1.00 51.42 H new ATOM 0 HG2 ARG A 937 11.887 -11.705 -27.820 1.00 20.12 H new ATOM 0 HG3 ARG A 937 12.224 -10.690 -26.432 1.00 20.12 H new ATOM 0 HD2 ARG A 937 13.441 -12.817 -26.257 1.00 42.10 H new ATOM 0 HD3 ARG A 937 12.276 -12.667 -24.957 1.00 42.10 H new ATOM 0 HE ARG A 937 10.948 -14.039 -27.036 1.00 10.30 H new ATOM 0 HH11 ARG A 937 13.761 -14.476 -24.948 1.00 73.32 H new ATOM 0 HH12 ARG A 937 13.645 -16.238 -24.966 1.00 73.32 H new ATOM 0 HH21 ARG A 937 10.805 -16.303 -27.054 1.00 31.33 H new ATOM 0 HH22 ARG A 937 11.978 -17.269 -26.153 1.00 31.33 H new ATOM 449 N LEU A 938 11.966 -9.853 -24.239 1.00 54.04 N ATOM 450 CA LEU A 938 13.031 -9.873 -23.243 1.00 12.12 C ATOM 451 C LEU A 938 12.541 -9.313 -21.911 1.00 60.30 C ATOM 452 O LEU A 938 12.748 -9.918 -20.858 1.00 11.53 O ATOM 453 CB LEU A 938 14.233 -9.066 -23.737 1.00 22.44 C ATOM 454 CG LEU A 938 15.425 -9.880 -24.243 1.00 54.12 C ATOM 455 CD1 LEU A 938 15.892 -10.861 -23.179 1.00 43.14 C ATOM 456 CD2 LEU A 938 15.062 -10.614 -25.526 1.00 23.10 C ATOM 0 H LEU A 938 12.074 -9.137 -24.957 1.00 54.04 H new ATOM 0 HA LEU A 938 13.334 -10.909 -23.091 1.00 12.12 H new ATOM 0 HB2 LEU A 938 13.899 -8.410 -24.541 1.00 22.44 H new ATOM 0 HB3 LEU A 938 14.575 -8.426 -22.924 1.00 22.44 H new ATOM 0 HG LEU A 938 16.244 -9.194 -24.459 1.00 54.12 H new ATOM 0 HD11 LEU A 938 16.741 -11.431 -23.557 1.00 43.14 H new ATOM 0 HD12 LEU A 938 16.192 -10.313 -22.286 1.00 43.14 H new ATOM 0 HD13 LEU A 938 15.079 -11.543 -22.931 1.00 43.14 H new ATOM 0 HD21 LEU A 938 15.921 -11.188 -25.872 1.00 23.10 H new ATOM 0 HD22 LEU A 938 14.228 -11.289 -25.335 1.00 23.10 H new ATOM 0 HD23 LEU A 938 14.777 -9.891 -26.290 1.00 23.10 H new ATOM 468 N LEU A 939 11.889 -8.157 -21.965 1.00 21.10 N ATOM 469 CA LEU A 939 11.367 -7.516 -20.763 1.00 31.41 C ATOM 470 C LEU A 939 10.538 -8.497 -19.940 1.00 12.24 C ATOM 471 O LEU A 939 10.762 -8.663 -18.740 1.00 42.35 O ATOM 472 CB LEU A 939 10.517 -6.301 -21.137 1.00 40.13 C ATOM 473 CG LEU A 939 11.265 -4.974 -21.272 1.00 24.33 C ATOM 474 CD1 LEU A 939 10.407 -3.948 -21.994 1.00 14.43 C ATOM 475 CD2 LEU A 939 11.682 -4.456 -19.903 1.00 1.10 C ATOM 0 H LEU A 939 11.709 -7.644 -22.828 1.00 21.10 H new ATOM 0 HA LEU A 939 12.213 -7.187 -20.159 1.00 31.41 H new ATOM 0 HB2 LEU A 939 10.016 -6.510 -22.082 1.00 40.13 H new ATOM 0 HB3 LEU A 939 9.739 -6.181 -20.383 1.00 40.13 H new ATOM 0 HG LEU A 939 12.165 -5.144 -21.864 1.00 24.33 H new ATOM 0 HD11 LEU A 939 10.956 -3.010 -22.080 1.00 14.43 H new ATOM 0 HD12 LEU A 939 10.159 -4.317 -22.989 1.00 14.43 H new ATOM 0 HD13 LEU A 939 9.489 -3.780 -21.431 1.00 14.43 H new ATOM 0 HD21 LEU A 939 12.213 -3.511 -20.018 1.00 1.10 H new ATOM 0 HD22 LEU A 939 10.796 -4.302 -19.287 1.00 1.10 H new ATOM 0 HD23 LEU A 939 12.336 -5.184 -19.422 1.00 1.10 H new ATOM 487 N LYS A 940 9.580 -9.146 -20.592 1.00 35.42 N ATOM 488 CA LYS A 940 8.718 -10.114 -19.922 1.00 42.23 C ATOM 489 C LYS A 940 9.526 -11.307 -19.422 1.00 60.24 C ATOM 490 O LYS A 940 9.119 -11.998 -18.488 1.00 5.34 O ATOM 491 CB LYS A 940 7.618 -10.591 -20.873 1.00 31.42 C ATOM 492 CG LYS A 940 6.793 -9.462 -21.465 1.00 10.22 C ATOM 493 CD LYS A 940 5.429 -9.361 -20.803 1.00 30.22 C ATOM 494 CE LYS A 940 5.397 -8.256 -19.758 1.00 74.21 C ATOM 495 NZ LYS A 940 4.007 -7.802 -19.474 1.00 21.22 N ATOM 0 H LYS A 940 9.380 -9.020 -21.584 1.00 35.42 H new ATOM 0 HA LYS A 940 8.260 -9.623 -19.063 1.00 42.23 H new ATOM 0 HB2 LYS A 940 8.072 -11.161 -21.683 1.00 31.42 H new ATOM 0 HB3 LYS A 940 6.956 -11.271 -20.337 1.00 31.42 H new ATOM 0 HG2 LYS A 940 7.327 -8.519 -21.346 1.00 10.22 H new ATOM 0 HG3 LYS A 940 6.668 -9.624 -22.536 1.00 10.22 H new ATOM 0 HD2 LYS A 940 4.669 -9.169 -21.560 1.00 30.22 H new ATOM 0 HD3 LYS A 940 5.179 -10.313 -20.335 1.00 30.22 H new ATOM 0 HE2 LYS A 940 5.858 -8.613 -18.837 1.00 74.21 H new ATOM 0 HE3 LYS A 940 5.992 -7.411 -20.105 1.00 74.21 H new ATOM 0 HZ1 LYS A 940 4.027 -7.049 -18.757 1.00 21.22 H new ATOM 0 HZ2 LYS A 940 3.576 -7.437 -20.347 1.00 21.22 H new ATOM 0 HZ3 LYS A 940 3.446 -8.603 -19.119 1.00 21.22 H new ATOM 509 N LYS A 941 10.673 -11.544 -20.050 1.00 1.02 N ATOM 510 CA LYS A 941 11.540 -12.652 -19.667 1.00 43.05 C ATOM 511 C LYS A 941 12.283 -12.340 -18.372 1.00 43.45 C ATOM 512 O LYS A 941 12.398 -13.191 -17.490 1.00 43.21 O ATOM 513 CB LYS A 941 12.543 -12.950 -20.784 1.00 63.42 C ATOM 514 CG LYS A 941 13.317 -14.241 -20.578 1.00 4.24 C ATOM 515 CD LYS A 941 14.772 -13.969 -20.230 1.00 74.25 C ATOM 516 CE LYS A 941 15.304 -14.982 -19.229 1.00 30.43 C ATOM 517 NZ LYS A 941 14.559 -14.933 -17.940 1.00 50.43 N ATOM 0 H LYS A 941 11.024 -10.983 -20.827 1.00 1.02 H new ATOM 0 HA LYS A 941 10.915 -13.530 -19.503 1.00 43.05 H new ATOM 0 HB2 LYS A 941 12.011 -13.003 -21.734 1.00 63.42 H new ATOM 0 HB3 LYS A 941 13.248 -12.122 -20.859 1.00 63.42 H new ATOM 0 HG2 LYS A 941 12.853 -14.821 -19.780 1.00 4.24 H new ATOM 0 HG3 LYS A 941 13.265 -14.846 -21.483 1.00 4.24 H new ATOM 0 HD2 LYS A 941 15.376 -14.000 -21.137 1.00 74.25 H new ATOM 0 HD3 LYS A 941 14.867 -12.964 -19.818 1.00 74.25 H new ATOM 0 HE2 LYS A 941 15.231 -15.984 -19.653 1.00 30.43 H new ATOM 0 HE3 LYS A 941 16.361 -14.790 -19.045 1.00 30.43 H new ATOM 0 HZ1 LYS A 941 15.224 -14.752 -17.161 1.00 50.43 H new ATOM 0 HZ2 LYS A 941 13.852 -14.171 -17.976 1.00 50.43 H new ATOM 0 HZ3 LYS A 941 14.080 -15.842 -17.781 1.00 50.43 H new ATOM 531 N HIS A 942 12.785 -11.113 -18.264 1.00 61.34 N ATOM 532 CA HIS A 942 13.515 -10.688 -17.076 1.00 24.25 C ATOM 533 C HIS A 942 12.588 -9.981 -16.092 1.00 52.21 C ATOM 534 O HIS A 942 13.022 -9.519 -15.038 1.00 14.51 O ATOM 535 CB HIS A 942 14.668 -9.762 -17.463 1.00 64.05 C ATOM 536 CG HIS A 942 15.612 -10.365 -18.458 1.00 51.54 C ATOM 537 ND1 HIS A 942 16.512 -11.358 -18.136 1.00 61.00 N ATOM 538 CD2 HIS A 942 15.791 -10.110 -19.776 1.00 12.23 C ATOM 539 CE1 HIS A 942 17.205 -11.687 -19.211 1.00 61.15 C ATOM 540 NE2 HIS A 942 16.786 -10.944 -20.220 1.00 64.53 N ATOM 0 H HIS A 942 12.699 -10.397 -18.985 1.00 61.34 H new ATOM 0 HA HIS A 942 13.920 -11.577 -16.592 1.00 24.25 H new ATOM 0 HB2 HIS A 942 14.260 -8.839 -17.875 1.00 64.05 H new ATOM 0 HB3 HIS A 942 15.223 -9.492 -16.565 1.00 64.05 H new ATOM 0 HD1 HIS A 942 16.625 -11.774 -17.212 1.00 61.00 H new ATOM 0 HD2 HIS A 942 15.251 -9.385 -20.367 1.00 12.23 H new ATOM 0 HE1 HIS A 942 17.982 -12.436 -19.257 1.00 61.15 H new ATOM 548 N ASN A 943 11.309 -9.900 -16.446 1.00 21.13 N ATOM 549 CA ASN A 943 10.321 -9.248 -15.595 1.00 14.33 C ATOM 550 C ASN A 943 10.601 -7.752 -15.483 1.00 71.22 C ATOM 551 O ASN A 943 10.888 -7.243 -14.400 1.00 3.13 O ATOM 552 CB ASN A 943 10.317 -9.882 -14.203 1.00 22.55 C ATOM 553 CG ASN A 943 10.515 -11.385 -14.252 1.00 35.32 C ATOM 554 OD1 ASN A 943 9.705 -12.110 -14.831 1.00 23.10 O ATOM 555 ND2 ASN A 943 11.594 -11.860 -13.642 1.00 64.32 N ATOM 0 H ASN A 943 10.933 -10.278 -17.316 1.00 21.13 H new ATOM 0 HA ASN A 943 9.341 -9.383 -16.051 1.00 14.33 H new ATOM 0 HB2 ASN A 943 11.107 -9.434 -13.600 1.00 22.55 H new ATOM 0 HB3 ASN A 943 9.372 -9.659 -13.708 1.00 22.55 H new ATOM 0 HD21 ASN A 943 11.779 -12.863 -13.641 1.00 64.32 H new ATOM 0 HD22 ASN A 943 12.238 -11.222 -13.175 1.00 64.32 H new ATOM 562 N TYR A 944 10.515 -7.054 -16.610 1.00 73.32 N ATOM 563 CA TYR A 944 10.761 -5.617 -16.640 1.00 73.51 C ATOM 564 C TYR A 944 12.170 -5.296 -16.152 1.00 51.31 C ATOM 565 O TYR A 944 12.359 -4.442 -15.287 1.00 3.10 O ATOM 566 CB TYR A 944 9.731 -4.885 -15.779 1.00 11.53 C ATOM 567 CG TYR A 944 8.430 -4.605 -16.497 1.00 1.33 C ATOM 568 CD1 TYR A 944 7.765 -5.611 -17.187 1.00 13.41 C ATOM 569 CD2 TYR A 944 7.867 -3.335 -16.486 1.00 52.30 C ATOM 570 CE1 TYR A 944 6.576 -5.360 -17.845 1.00 42.41 C ATOM 571 CE2 TYR A 944 6.678 -3.075 -17.140 1.00 41.00 C ATOM 572 CZ TYR A 944 6.037 -4.090 -17.818 1.00 72.53 C ATOM 573 OH TYR A 944 4.853 -3.835 -18.472 1.00 62.42 O ATOM 0 H TYR A 944 10.277 -7.460 -17.515 1.00 73.32 H new ATOM 0 HA TYR A 944 10.668 -5.279 -17.672 1.00 73.51 H new ATOM 0 HB2 TYR A 944 9.524 -5.480 -14.890 1.00 11.53 H new ATOM 0 HB3 TYR A 944 10.159 -3.942 -15.439 1.00 11.53 H new ATOM 0 HD1 TYR A 944 8.184 -6.606 -17.209 1.00 13.41 H new ATOM 0 HD2 TYR A 944 8.367 -2.537 -15.957 1.00 52.30 H new ATOM 0 HE1 TYR A 944 6.072 -6.153 -18.377 1.00 42.41 H new ATOM 0 HE2 TYR A 944 6.253 -2.082 -17.120 1.00 41.00 H new ATOM 0 HH TYR A 944 4.611 -2.893 -18.354 1.00 62.42 H new ATOM 583 N ASN A 945 13.156 -5.987 -16.715 1.00 1.41 N ATOM 584 CA ASN A 945 14.549 -5.775 -16.338 1.00 61.52 C ATOM 585 C ASN A 945 15.376 -5.330 -17.540 1.00 62.44 C ATOM 586 O ASN A 945 16.054 -6.140 -18.174 1.00 3.21 O ATOM 587 CB ASN A 945 15.139 -7.057 -15.746 1.00 13.04 C ATOM 588 CG ASN A 945 16.076 -6.780 -14.586 1.00 13.12 C ATOM 589 OD1 ASN A 945 17.084 -5.950 -14.826 1.00 62.55 O flip ATOM 590 ND2 ASN A 945 15.894 -7.305 -13.487 1.00 24.24 N flip ATOM 0 H ASN A 945 13.016 -6.698 -17.433 1.00 1.41 H new ATOM 0 HA ASN A 945 14.580 -4.987 -15.586 1.00 61.52 H new ATOM 0 HB2 ASN A 945 14.329 -7.704 -15.409 1.00 13.04 H new ATOM 0 HB3 ASN A 945 15.678 -7.599 -16.523 1.00 13.04 H new ATOM 0 HD21 ASN A 945 15.105 -7.937 -13.348 1.00 24.24 H new ATOM 0 HD22 ASN A 945 16.532 -7.108 -12.716 1.00 24.24 H new ATOM 597 N ILE A 946 15.316 -4.039 -17.848 1.00 35.21 N ATOM 598 CA ILE A 946 16.060 -3.486 -18.972 1.00 61.45 C ATOM 599 C ILE A 946 17.535 -3.864 -18.894 1.00 5.44 C ATOM 600 O ILE A 946 18.170 -4.149 -19.910 1.00 71.21 O ATOM 601 CB ILE A 946 15.936 -1.952 -19.030 1.00 24.30 C ATOM 602 CG1 ILE A 946 16.763 -1.395 -20.191 1.00 74.41 C ATOM 603 CG2 ILE A 946 16.381 -1.335 -17.712 1.00 63.34 C ATOM 604 CD1 ILE A 946 16.336 -1.922 -21.543 1.00 61.25 C ATOM 0 H ILE A 946 14.759 -3.356 -17.334 1.00 35.21 H new ATOM 0 HA ILE A 946 15.626 -3.911 -19.877 1.00 61.45 H new ATOM 0 HB ILE A 946 14.890 -1.693 -19.196 1.00 24.30 H new ATOM 0 HG12 ILE A 946 16.686 -0.308 -20.193 1.00 74.41 H new ATOM 0 HG13 ILE A 946 17.813 -1.640 -20.029 1.00 74.41 H new ATOM 0 HG21 ILE A 946 16.288 -0.250 -17.768 1.00 63.34 H new ATOM 0 HG22 ILE A 946 15.754 -1.712 -16.904 1.00 63.34 H new ATOM 0 HG23 ILE A 946 17.420 -1.600 -17.519 1.00 63.34 H new ATOM 0 HD11 ILE A 946 16.965 -1.485 -22.319 1.00 61.25 H new ATOM 0 HD12 ILE A 946 16.440 -3.007 -21.560 1.00 61.25 H new ATOM 0 HD13 ILE A 946 15.295 -1.654 -21.726 1.00 61.25 H new ATOM 616 N LEU A 947 18.076 -3.865 -17.680 1.00 40.41 N ATOM 617 CA LEU A 947 19.477 -4.209 -17.467 1.00 65.11 C ATOM 618 C LEU A 947 19.805 -5.565 -18.083 1.00 74.45 C ATOM 619 O LEU A 947 20.762 -5.696 -18.845 1.00 24.40 O ATOM 620 CB LEU A 947 19.797 -4.225 -15.971 1.00 65.34 C ATOM 621 CG LEU A 947 19.305 -3.022 -15.167 1.00 32.15 C ATOM 622 CD1 LEU A 947 19.719 -3.149 -13.709 1.00 32.43 C ATOM 623 CD2 LEU A 947 19.837 -1.727 -15.763 1.00 22.30 C ATOM 0 H LEU A 947 17.565 -3.631 -16.829 1.00 40.41 H new ATOM 0 HA LEU A 947 20.090 -3.451 -17.955 1.00 65.11 H new ATOM 0 HB2 LEU A 947 19.366 -5.127 -15.537 1.00 65.34 H new ATOM 0 HB3 LEU A 947 20.878 -4.299 -15.852 1.00 65.34 H new ATOM 0 HG LEU A 947 18.216 -2.999 -15.214 1.00 32.15 H new ATOM 0 HD11 LEU A 947 19.360 -2.283 -13.152 1.00 32.43 H new ATOM 0 HD12 LEU A 947 19.288 -4.057 -13.286 1.00 32.43 H new ATOM 0 HD13 LEU A 947 20.806 -3.198 -13.642 1.00 32.43 H new ATOM 0 HD21 LEU A 947 19.476 -0.882 -15.177 1.00 22.30 H new ATOM 0 HD22 LEU A 947 20.927 -1.740 -15.748 1.00 22.30 H new ATOM 0 HD23 LEU A 947 19.490 -1.630 -16.792 1.00 22.30 H new ATOM 635 N GLN A 948 19.001 -6.570 -17.750 1.00 61.42 N ATOM 636 CA GLN A 948 19.205 -7.916 -18.273 1.00 20.34 C ATOM 637 C GLN A 948 18.814 -7.994 -19.745 1.00 0.13 C ATOM 638 O GLN A 948 19.404 -8.752 -20.515 1.00 53.43 O ATOM 639 CB GLN A 948 18.393 -8.929 -17.463 1.00 1.20 C ATOM 640 CG GLN A 948 18.762 -8.965 -15.989 1.00 12.33 C ATOM 641 CD GLN A 948 20.070 -9.686 -15.732 1.00 4.43 C ATOM 642 OE1 GLN A 948 20.083 -10.852 -15.336 1.00 51.35 O ATOM 643 NE2 GLN A 948 21.182 -8.994 -15.955 1.00 54.25 N ATOM 0 H GLN A 948 18.203 -6.478 -17.121 1.00 61.42 H new ATOM 0 HA GLN A 948 20.265 -8.156 -18.185 1.00 20.34 H new ATOM 0 HB2 GLN A 948 17.333 -8.692 -17.558 1.00 1.20 H new ATOM 0 HB3 GLN A 948 18.537 -9.922 -17.889 1.00 1.20 H new ATOM 0 HG2 GLN A 948 18.834 -7.945 -15.611 1.00 12.33 H new ATOM 0 HG3 GLN A 948 17.965 -9.456 -15.431 1.00 12.33 H new ATOM 0 HE21 GLN A 948 21.126 -8.030 -16.283 1.00 54.25 H new ATOM 0 HE22 GLN A 948 22.092 -9.427 -15.798 1.00 54.25 H new ATOM 652 N VAL A 949 17.815 -7.205 -20.129 1.00 64.31 N ATOM 653 CA VAL A 949 17.346 -7.184 -21.509 1.00 72.02 C ATOM 654 C VAL A 949 18.457 -6.756 -22.461 1.00 60.33 C ATOM 655 O VAL A 949 18.825 -7.495 -23.375 1.00 1.11 O ATOM 656 CB VAL A 949 16.145 -6.234 -21.679 1.00 63.01 C ATOM 657 CG1 VAL A 949 15.730 -6.154 -23.140 1.00 42.22 C ATOM 658 CG2 VAL A 949 14.982 -6.686 -20.810 1.00 13.13 C ATOM 0 H VAL A 949 17.315 -6.572 -19.504 1.00 64.31 H new ATOM 0 HA VAL A 949 17.034 -8.200 -21.753 1.00 72.02 H new ATOM 0 HB VAL A 949 16.444 -5.237 -21.356 1.00 63.01 H new ATOM 0 HG11 VAL A 949 14.880 -5.479 -23.240 1.00 42.22 H new ATOM 0 HG12 VAL A 949 16.563 -5.780 -23.735 1.00 42.22 H new ATOM 0 HG13 VAL A 949 15.448 -7.146 -23.493 1.00 42.22 H new ATOM 0 HG21 VAL A 949 14.142 -6.004 -20.942 1.00 13.13 H new ATOM 0 HG22 VAL A 949 14.681 -7.693 -21.100 1.00 13.13 H new ATOM 0 HG23 VAL A 949 15.288 -6.686 -19.764 1.00 13.13 H new ATOM 668 N VAL A 950 18.989 -5.558 -22.241 1.00 71.22 N ATOM 669 CA VAL A 950 20.060 -5.032 -23.079 1.00 2.35 C ATOM 670 C VAL A 950 21.242 -5.994 -23.129 1.00 13.23 C ATOM 671 O VAL A 950 21.728 -6.342 -24.205 1.00 63.40 O ATOM 672 CB VAL A 950 20.549 -3.662 -22.570 1.00 75.30 C ATOM 673 CG1 VAL A 950 21.706 -3.159 -23.419 1.00 52.02 C ATOM 674 CG2 VAL A 950 19.406 -2.659 -22.563 1.00 54.50 C ATOM 0 H VAL A 950 18.696 -4.934 -21.490 1.00 71.22 H new ATOM 0 HA VAL A 950 19.649 -4.914 -24.081 1.00 2.35 H new ATOM 0 HB VAL A 950 20.906 -3.779 -21.547 1.00 75.30 H new ATOM 0 HG11 VAL A 950 22.038 -2.191 -23.045 1.00 52.02 H new ATOM 0 HG12 VAL A 950 22.531 -3.870 -23.368 1.00 52.02 H new ATOM 0 HG13 VAL A 950 21.380 -3.056 -24.454 1.00 52.02 H new ATOM 0 HG21 VAL A 950 19.768 -1.697 -22.201 1.00 54.50 H new ATOM 0 HG22 VAL A 950 19.018 -2.543 -23.575 1.00 54.50 H new ATOM 0 HG23 VAL A 950 18.612 -3.017 -21.908 1.00 54.50 H new ATOM 684 N THR A 951 21.700 -6.421 -21.956 1.00 70.52 N ATOM 685 CA THR A 951 22.825 -7.343 -21.866 1.00 22.24 C ATOM 686 C THR A 951 22.569 -8.606 -22.681 1.00 11.34 C ATOM 687 O THR A 951 23.499 -9.209 -23.215 1.00 35.31 O ATOM 688 CB THR A 951 23.111 -7.738 -20.405 1.00 25.34 C ATOM 689 OG1 THR A 951 23.434 -6.574 -19.636 1.00 44.24 O ATOM 690 CG2 THR A 951 24.257 -8.736 -20.328 1.00 63.04 C ATOM 0 H THR A 951 21.309 -6.143 -21.056 1.00 70.52 H new ATOM 0 HA THR A 951 23.693 -6.823 -22.271 1.00 22.24 H new ATOM 0 HB THR A 951 22.215 -8.205 -19.997 1.00 25.34 H new ATOM 0 HG1 THR A 951 22.609 -6.165 -19.300 1.00 44.24 H new ATOM 0 HG21 THR A 951 24.440 -9.000 -19.286 1.00 63.04 H new ATOM 0 HG22 THR A 951 23.996 -9.633 -20.889 1.00 63.04 H new ATOM 0 HG23 THR A 951 25.156 -8.291 -20.753 1.00 63.04 H new ATOM 698 N GLU A 952 21.302 -8.999 -22.772 1.00 1.41 N ATOM 699 CA GLU A 952 20.925 -10.190 -23.523 1.00 30.43 C ATOM 700 C GLU A 952 21.106 -9.969 -25.022 1.00 25.24 C ATOM 701 O GLU A 952 21.840 -10.704 -25.685 1.00 2.52 O ATOM 702 CB GLU A 952 19.473 -10.570 -23.224 1.00 61.02 C ATOM 703 CG GLU A 952 19.164 -12.037 -23.473 1.00 51.45 C ATOM 704 CD GLU A 952 19.365 -12.893 -22.239 1.00 25.43 C ATOM 705 OE1 GLU A 952 20.529 -13.231 -21.935 1.00 60.02 O ATOM 706 OE2 GLU A 952 18.361 -13.227 -21.576 1.00 53.55 O ATOM 0 H GLU A 952 20.520 -8.510 -22.335 1.00 1.41 H new ATOM 0 HA GLU A 952 21.578 -11.006 -23.212 1.00 30.43 H new ATOM 0 HB2 GLU A 952 19.251 -10.332 -22.184 1.00 61.02 H new ATOM 0 HB3 GLU A 952 18.812 -9.959 -23.839 1.00 61.02 H new ATOM 0 HG2 GLU A 952 18.133 -12.134 -23.814 1.00 51.45 H new ATOM 0 HG3 GLU A 952 19.802 -12.408 -24.275 1.00 51.45 H new ATOM 713 N LEU A 953 20.433 -8.953 -25.549 1.00 71.24 N ATOM 714 CA LEU A 953 20.518 -8.634 -26.970 1.00 64.34 C ATOM 715 C LEU A 953 21.972 -8.489 -27.409 1.00 51.33 C ATOM 716 O LEU A 953 22.344 -8.901 -28.509 1.00 20.13 O ATOM 717 CB LEU A 953 19.751 -7.345 -27.271 1.00 64.40 C ATOM 718 CG LEU A 953 18.261 -7.506 -27.571 1.00 14.12 C ATOM 719 CD1 LEU A 953 17.593 -8.371 -26.513 1.00 5.12 C ATOM 720 CD2 LEU A 953 17.584 -6.145 -27.654 1.00 70.45 C ATOM 0 H LEU A 953 19.822 -8.336 -25.014 1.00 71.24 H new ATOM 0 HA LEU A 953 20.069 -9.455 -27.529 1.00 64.34 H new ATOM 0 HB2 LEU A 953 19.859 -6.674 -26.419 1.00 64.40 H new ATOM 0 HB3 LEU A 953 20.222 -6.856 -28.124 1.00 64.40 H new ATOM 0 HG LEU A 953 18.156 -8.002 -28.536 1.00 14.12 H new ATOM 0 HD11 LEU A 953 16.533 -8.474 -26.744 1.00 5.12 H new ATOM 0 HD12 LEU A 953 18.059 -9.356 -26.501 1.00 5.12 H new ATOM 0 HD13 LEU A 953 17.708 -7.903 -25.535 1.00 5.12 H new ATOM 0 HD21 LEU A 953 16.524 -6.279 -27.868 1.00 70.45 H new ATOM 0 HD22 LEU A 953 17.699 -5.623 -26.704 1.00 70.45 H new ATOM 0 HD23 LEU A 953 18.044 -5.558 -28.449 1.00 70.45 H new ATOM 732 N LEU A 954 22.790 -7.902 -26.543 1.00 1.13 N ATOM 733 CA LEU A 954 24.205 -7.704 -26.840 1.00 14.25 C ATOM 734 C LEU A 954 24.918 -9.041 -27.007 1.00 63.33 C ATOM 735 O LEU A 954 25.433 -9.350 -28.082 1.00 10.23 O ATOM 736 CB LEU A 954 24.871 -6.893 -25.726 1.00 72.43 C ATOM 737 CG LEU A 954 24.661 -5.380 -25.781 1.00 3.35 C ATOM 738 CD1 LEU A 954 25.230 -4.717 -24.535 1.00 73.13 C ATOM 739 CD2 LEU A 954 25.298 -4.798 -27.034 1.00 53.33 C ATOM 0 H LEU A 954 22.498 -7.555 -25.629 1.00 1.13 H new ATOM 0 HA LEU A 954 24.281 -7.153 -27.778 1.00 14.25 H new ATOM 0 HB2 LEU A 954 24.500 -7.257 -24.768 1.00 72.43 H new ATOM 0 HB3 LEU A 954 25.942 -7.092 -25.750 1.00 72.43 H new ATOM 0 HG LEU A 954 23.590 -5.182 -25.817 1.00 3.35 H new ATOM 0 HD11 LEU A 954 25.072 -3.640 -24.591 1.00 73.13 H new ATOM 0 HD12 LEU A 954 24.728 -5.112 -23.651 1.00 73.13 H new ATOM 0 HD13 LEU A 954 26.298 -4.924 -24.468 1.00 73.13 H new ATOM 0 HD21 LEU A 954 25.138 -3.720 -27.056 1.00 53.33 H new ATOM 0 HD22 LEU A 954 26.368 -5.006 -27.029 1.00 53.33 H new ATOM 0 HD23 LEU A 954 24.845 -5.250 -27.916 1.00 53.33 H new