USER MOD reduce.3.24.130724 H: found=0, std=0, add=519, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 519 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 11 THR OG1 : rot 24:sc= 0.43 USER MOD Single : A 13 LYS NZ :NH3+ -163:sc= -0.0529 (180deg=-0.356) USER MOD Single : A 16 CYS SG : rot 75:sc= 0.324 USER MOD Single : A 19 TYR OH : rot 30:sc= 0 USER MOD Single : A 35 HIS : no HD1:sc= -0.18 X(o=-0.18,f=-0.18) USER MOD Single : A 40 SER OG : rot 180:sc= 0.0419 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= -0.122 X(o=-0.12,f=-0.51) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 11:sc= 0.862 USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.0385 USER MOD ----------------------------------------------------------------- ATOM 127 N THR A 11 -7.492 1.001 -26.337 1.00 74.30 N ATOM 128 CA THR A 11 -8.223 2.209 -26.715 1.00 20.35 C ATOM 129 C THR A 11 -7.329 3.439 -26.616 1.00 34.52 C ATOM 130 O THR A 11 -7.364 4.317 -27.470 1.00 2.00 O ATOM 131 CB THR A 11 -9.447 2.414 -25.789 1.00 30.45 C ATOM 132 OG1 THR A 11 -10.058 1.140 -25.538 1.00 1.42 O ATOM 133 CG2 THR A 11 -10.478 3.324 -26.426 1.00 21.44 C ATOM 0 HA THR A 11 -8.554 2.082 -27.746 1.00 20.35 H new ATOM 0 HB THR A 11 -9.101 2.874 -24.864 1.00 30.45 H new ATOM 0 HG1 THR A 11 -9.395 0.429 -25.664 1.00 1.42 H new ATOM 0 HG21 THR A 11 -11.323 3.446 -25.749 1.00 21.44 H new ATOM 0 HG22 THR A 11 -10.030 4.297 -26.626 1.00 21.44 H new ATOM 0 HG23 THR A 11 -10.823 2.884 -27.362 1.00 21.44 H new ATOM 141 N GLU A 12 -6.520 3.492 -25.568 1.00 3.23 N ATOM 142 CA GLU A 12 -5.659 4.650 -25.319 1.00 52.04 C ATOM 143 C GLU A 12 -4.654 4.857 -26.428 1.00 24.02 C ATOM 144 O GLU A 12 -4.459 5.966 -26.878 1.00 12.44 O ATOM 145 CB GLU A 12 -4.936 4.486 -23.984 1.00 5.34 C ATOM 146 CG GLU A 12 -5.879 4.529 -22.792 1.00 65.21 C ATOM 147 CD GLU A 12 -5.182 4.246 -21.475 1.00 71.44 C ATOM 148 OE1 GLU A 12 -4.267 3.395 -21.454 1.00 44.33 O ATOM 149 OE2 GLU A 12 -5.607 4.801 -20.443 1.00 31.44 O ATOM 0 H GLU A 12 -6.438 2.749 -24.874 1.00 3.23 H new ATOM 0 HA GLU A 12 -6.298 5.533 -25.284 1.00 52.04 H new ATOM 0 HB2 GLU A 12 -4.398 3.538 -23.982 1.00 5.34 H new ATOM 0 HB3 GLU A 12 -4.191 5.275 -23.880 1.00 5.34 H new ATOM 0 HG2 GLU A 12 -6.350 5.511 -22.744 1.00 65.21 H new ATOM 0 HG3 GLU A 12 -6.676 3.800 -22.939 1.00 65.21 H new ATOM 156 N LYS A 13 -4.054 3.785 -26.919 1.00 11.54 N ATOM 157 CA LYS A 13 -3.041 3.922 -27.977 1.00 33.24 C ATOM 158 C LYS A 13 -3.621 4.480 -29.271 1.00 42.33 C ATOM 159 O LYS A 13 -2.922 5.155 -30.023 1.00 23.20 O ATOM 160 CB LYS A 13 -2.340 2.587 -28.260 1.00 4.20 C ATOM 161 CG LYS A 13 -3.258 1.456 -28.715 1.00 24.41 C ATOM 162 CD LYS A 13 -2.498 0.311 -29.396 1.00 54.12 C ATOM 163 CE LYS A 13 -2.011 0.701 -30.804 1.00 72.02 C ATOM 164 NZ LYS A 13 -3.146 1.086 -31.730 1.00 14.52 N ATOM 0 H LYS A 13 -4.238 2.828 -26.618 1.00 11.54 H new ATOM 0 HA LYS A 13 -2.309 4.636 -27.601 1.00 33.24 H new ATOM 0 HB2 LYS A 13 -1.581 2.748 -29.026 1.00 4.20 H new ATOM 0 HB3 LYS A 13 -1.819 2.270 -27.357 1.00 4.20 H new ATOM 0 HG2 LYS A 13 -3.799 1.065 -27.854 1.00 24.41 H new ATOM 0 HG3 LYS A 13 -4.002 1.853 -29.405 1.00 24.41 H new ATOM 0 HD2 LYS A 13 -1.643 0.027 -28.782 1.00 54.12 H new ATOM 0 HD3 LYS A 13 -3.145 -0.563 -29.465 1.00 54.12 H new ATOM 0 HE2 LYS A 13 -1.314 1.535 -30.725 1.00 72.02 H new ATOM 0 HE3 LYS A 13 -1.461 -0.134 -31.238 1.00 72.02 H new ATOM 0 HZ1 LYS A 13 -2.815 1.059 -32.715 1.00 14.52 H new ATOM 0 HZ2 LYS A 13 -3.933 0.417 -31.611 1.00 14.52 H new ATOM 0 HZ3 LYS A 13 -3.471 2.047 -31.500 1.00 14.52 H new ATOM 178 N VAL A 14 -4.887 4.194 -29.541 1.00 44.44 N ATOM 179 CA VAL A 14 -5.533 4.707 -30.748 1.00 54.31 C ATOM 180 C VAL A 14 -5.730 6.194 -30.551 1.00 15.13 C ATOM 181 O VAL A 14 -5.439 6.987 -31.429 1.00 64.43 O ATOM 182 CB VAL A 14 -6.901 4.017 -31.008 1.00 23.23 C ATOM 183 CG1 VAL A 14 -7.638 4.688 -32.183 1.00 41.15 C ATOM 184 CG2 VAL A 14 -6.712 2.535 -31.299 1.00 64.15 C ATOM 0 H VAL A 14 -5.484 3.616 -28.950 1.00 44.44 H new ATOM 0 HA VAL A 14 -4.907 4.500 -31.616 1.00 54.31 H new ATOM 0 HB VAL A 14 -7.504 4.125 -30.106 1.00 23.23 H new ATOM 0 HG11 VAL A 14 -8.593 4.188 -32.347 1.00 41.15 H new ATOM 0 HG12 VAL A 14 -7.813 5.738 -31.950 1.00 41.15 H new ATOM 0 HG13 VAL A 14 -7.030 4.613 -33.085 1.00 41.15 H new ATOM 0 HG21 VAL A 14 -7.683 2.073 -31.478 1.00 64.15 H new ATOM 0 HG22 VAL A 14 -6.085 2.415 -32.182 1.00 64.15 H new ATOM 0 HG23 VAL A 14 -6.233 2.055 -30.446 1.00 64.15 H new ATOM 194 N LEU A 15 -6.217 6.564 -29.381 1.00 54.31 N ATOM 195 CA LEU A 15 -6.491 7.955 -29.070 1.00 61.10 C ATOM 196 C LEU A 15 -5.206 8.772 -29.078 1.00 22.21 C ATOM 197 O LEU A 15 -5.165 9.851 -29.657 1.00 43.02 O ATOM 198 CB LEU A 15 -7.156 8.038 -27.702 1.00 63.51 C ATOM 199 CG LEU A 15 -8.589 7.493 -27.634 1.00 30.52 C ATOM 200 CD1 LEU A 15 -8.885 7.141 -26.190 1.00 72.11 C ATOM 201 CD2 LEU A 15 -9.606 8.495 -28.158 1.00 0.12 C ATOM 0 H LEU A 15 -6.432 5.915 -28.625 1.00 54.31 H new ATOM 0 HA LEU A 15 -7.157 8.366 -29.829 1.00 61.10 H new ATOM 0 HB2 LEU A 15 -6.543 7.492 -26.985 1.00 63.51 H new ATOM 0 HB3 LEU A 15 -7.166 9.081 -27.384 1.00 63.51 H new ATOM 0 HG LEU A 15 -8.668 6.611 -28.270 1.00 30.52 H new ATOM 0 HD11 LEU A 15 -9.899 6.750 -26.111 1.00 72.11 H new ATOM 0 HD12 LEU A 15 -8.178 6.386 -25.847 1.00 72.11 H new ATOM 0 HD13 LEU A 15 -8.791 8.034 -25.571 1.00 72.11 H new ATOM 0 HD21 LEU A 15 -10.606 8.067 -28.091 1.00 0.12 H new ATOM 0 HD22 LEU A 15 -9.560 9.406 -27.561 1.00 0.12 H new ATOM 0 HD23 LEU A 15 -9.381 8.731 -29.198 1.00 0.12 H new ATOM 213 N CYS A 16 -4.146 8.235 -28.490 1.00 44.24 N ATOM 214 CA CYS A 16 -2.843 8.891 -28.509 1.00 52.03 C ATOM 215 C CYS A 16 -2.371 9.143 -29.935 1.00 72.02 C ATOM 216 O CYS A 16 -1.917 10.228 -30.259 1.00 0.23 O ATOM 217 CB CYS A 16 -1.814 8.003 -27.806 1.00 4.32 C ATOM 218 SG CYS A 16 -2.052 7.851 -26.021 1.00 12.21 S ATOM 0 H CYS A 16 -4.162 7.345 -27.992 1.00 44.24 H new ATOM 0 HA CYS A 16 -2.942 9.848 -27.996 1.00 52.03 H new ATOM 0 HB2 CYS A 16 -1.847 7.008 -28.250 1.00 4.32 H new ATOM 0 HB3 CYS A 16 -0.818 8.403 -27.994 1.00 4.32 H new ATOM 0 HG CYS A 16 -3.065 7.072 -25.783 1.00 12.21 H new ATOM 224 N ALA A 17 -2.476 8.148 -30.796 1.00 2.41 N ATOM 225 CA ALA A 17 -2.002 8.320 -32.166 1.00 30.41 C ATOM 226 C ALA A 17 -2.911 9.284 -32.949 1.00 12.13 C ATOM 227 O ALA A 17 -2.438 10.069 -33.748 1.00 72.32 O ATOM 228 CB ALA A 17 -1.926 6.958 -32.866 1.00 53.13 C ATOM 0 H ALA A 17 -2.874 7.233 -30.584 1.00 2.41 H new ATOM 0 HA ALA A 17 -1.004 8.758 -32.135 1.00 30.41 H new ATOM 0 HB1 ALA A 17 -1.572 7.093 -33.888 1.00 53.13 H new ATOM 0 HB2 ALA A 17 -1.237 6.309 -32.326 1.00 53.13 H new ATOM 0 HB3 ALA A 17 -2.916 6.502 -32.883 1.00 53.13 H new ATOM 234 N LEU A 18 -4.209 9.236 -32.693 1.00 41.43 N ATOM 235 CA LEU A 18 -5.141 10.128 -33.376 1.00 43.10 C ATOM 236 C LEU A 18 -4.919 11.584 -32.989 1.00 2.12 C ATOM 237 O LEU A 18 -5.095 12.483 -33.816 1.00 50.11 O ATOM 238 CB LEU A 18 -6.574 9.690 -33.112 1.00 53.54 C ATOM 239 CG LEU A 18 -7.233 9.033 -34.324 1.00 11.24 C ATOM 240 CD1 LEU A 18 -6.434 7.777 -34.773 1.00 50.44 C ATOM 241 CD2 LEU A 18 -8.686 8.704 -33.956 1.00 42.24 C ATOM 0 H LEU A 18 -4.641 8.597 -32.025 1.00 41.43 H new ATOM 0 HA LEU A 18 -4.953 10.060 -34.447 1.00 43.10 H new ATOM 0 HB2 LEU A 18 -6.586 8.991 -32.276 1.00 53.54 H new ATOM 0 HB3 LEU A 18 -7.163 10.556 -32.811 1.00 53.54 H new ATOM 0 HG LEU A 18 -7.231 9.712 -35.177 1.00 11.24 H new ATOM 0 HD11 LEU A 18 -6.921 7.325 -35.637 1.00 50.44 H new ATOM 0 HD12 LEU A 18 -5.418 8.068 -35.040 1.00 50.44 H new ATOM 0 HD13 LEU A 18 -6.402 7.055 -33.957 1.00 50.44 H new ATOM 0 HD21 LEU A 18 -9.179 8.233 -34.806 1.00 42.24 H new ATOM 0 HD22 LEU A 18 -8.701 8.023 -33.105 1.00 42.24 H new ATOM 0 HD23 LEU A 18 -9.212 9.622 -33.694 1.00 42.24 H new ATOM 253 N TYR A 19 -4.479 11.813 -31.756 1.00 65.03 N ATOM 254 CA TYR A 19 -4.077 13.142 -31.337 1.00 23.33 C ATOM 255 C TYR A 19 -2.915 13.556 -32.272 1.00 52.24 C ATOM 256 O TYR A 19 -2.946 14.589 -32.888 1.00 11.24 O ATOM 257 CB TYR A 19 -3.588 13.161 -29.876 1.00 54.32 C ATOM 258 CG TYR A 19 -4.631 13.386 -28.794 1.00 42.10 C ATOM 259 CD1 TYR A 19 -5.873 12.709 -28.798 1.00 33.11 C ATOM 260 CD2 TYR A 19 -4.344 14.233 -27.698 1.00 73.13 C ATOM 261 CE1 TYR A 19 -6.813 12.895 -27.738 1.00 73.45 C ATOM 262 CE2 TYR A 19 -5.281 14.419 -26.646 1.00 22.33 C ATOM 263 CZ TYR A 19 -6.504 13.755 -26.677 1.00 20.44 C ATOM 264 OH TYR A 19 -7.394 13.916 -25.646 1.00 72.53 O ATOM 0 H TYR A 19 -4.394 11.096 -31.036 1.00 65.03 H new ATOM 0 HA TYR A 19 -4.925 13.824 -31.396 1.00 23.33 H new ATOM 0 HB2 TYR A 19 -3.092 12.212 -29.674 1.00 54.32 H new ATOM 0 HB3 TYR A 19 -2.832 13.941 -29.783 1.00 54.32 H new ATOM 0 HD1 TYR A 19 -6.114 12.043 -29.613 1.00 33.11 H new ATOM 0 HD2 TYR A 19 -3.395 14.748 -27.660 1.00 73.13 H new ATOM 0 HE1 TYR A 19 -7.759 12.374 -27.755 1.00 73.45 H new ATOM 0 HE2 TYR A 19 -5.044 15.076 -25.822 1.00 22.33 H new ATOM 0 HH TYR A 19 -7.911 13.092 -25.528 1.00 72.53 H new ATOM 274 N ALA A 20 -1.891 12.707 -32.364 1.00 61.14 N ATOM 275 CA ALA A 20 -0.688 13.035 -33.137 1.00 14.22 C ATOM 276 C ALA A 20 -0.981 13.340 -34.611 1.00 5.14 C ATOM 277 O ALA A 20 -0.506 14.334 -35.159 1.00 32.14 O ATOM 278 CB ALA A 20 0.335 11.883 -33.058 1.00 33.04 C ATOM 0 H ALA A 20 -1.868 11.791 -31.916 1.00 61.14 H new ATOM 0 HA ALA A 20 -0.280 13.940 -32.687 1.00 14.22 H new ATOM 0 HB1 ALA A 20 1.221 12.143 -33.637 1.00 33.04 H new ATOM 0 HB2 ALA A 20 0.617 11.717 -32.018 1.00 33.04 H new ATOM 0 HB3 ALA A 20 -0.109 10.974 -33.463 1.00 33.04 H new ATOM 284 N GLU A 21 -1.779 12.490 -35.234 1.00 21.43 N ATOM 285 CA GLU A 21 -2.116 12.615 -36.661 1.00 13.44 C ATOM 286 C GLU A 21 -2.823 13.926 -36.977 1.00 12.24 C ATOM 287 O GLU A 21 -2.693 14.473 -38.065 1.00 64.42 O ATOM 288 CB GLU A 21 -3.036 11.455 -37.063 1.00 20.41 C ATOM 289 CG GLU A 21 -2.342 10.106 -37.161 1.00 5.32 C ATOM 290 CD GLU A 21 -1.350 10.045 -38.316 1.00 4.14 C ATOM 291 OE1 GLU A 21 -1.763 10.337 -39.466 1.00 74.10 O ATOM 292 OE2 GLU A 21 -0.180 9.676 -38.088 1.00 25.53 O ATOM 0 H GLU A 21 -2.216 11.691 -34.775 1.00 21.43 H new ATOM 0 HA GLU A 21 -1.181 12.593 -37.221 1.00 13.44 H new ATOM 0 HB2 GLU A 21 -3.845 11.381 -36.337 1.00 20.41 H new ATOM 0 HB3 GLU A 21 -3.492 11.686 -38.026 1.00 20.41 H new ATOM 0 HG2 GLU A 21 -1.820 9.900 -36.226 1.00 5.32 H new ATOM 0 HG3 GLU A 21 -3.091 9.324 -37.287 1.00 5.32 H new ATOM 299 N ILE A 22 -3.624 14.401 -36.036 1.00 31.45 N ATOM 300 CA ILE A 22 -4.423 15.613 -36.242 1.00 25.44 C ATOM 301 C ILE A 22 -3.704 16.886 -35.756 1.00 54.41 C ATOM 302 O ILE A 22 -3.800 17.939 -36.386 1.00 4.51 O ATOM 303 CB ILE A 22 -5.793 15.444 -35.557 1.00 3.43 C ATOM 304 CG1 ILE A 22 -6.561 14.340 -36.300 1.00 60.41 C ATOM 305 CG2 ILE A 22 -6.604 16.750 -35.570 1.00 61.20 C ATOM 306 CD1 ILE A 22 -7.845 13.960 -35.665 1.00 71.52 C ATOM 0 H ILE A 22 -3.743 13.970 -35.119 1.00 31.45 H new ATOM 0 HA ILE A 22 -4.569 15.744 -37.314 1.00 25.44 H new ATOM 0 HB ILE A 22 -5.639 15.175 -34.512 1.00 3.43 H new ATOM 0 HG12 ILE A 22 -6.757 14.672 -37.319 1.00 60.41 H new ATOM 0 HG13 ILE A 22 -5.927 13.456 -36.369 1.00 60.41 H new ATOM 0 HG21 ILE A 22 -7.563 16.588 -35.078 1.00 61.20 H new ATOM 0 HG22 ILE A 22 -6.051 17.527 -35.041 1.00 61.20 H new ATOM 0 HG23 ILE A 22 -6.774 17.063 -36.600 1.00 61.20 H new ATOM 0 HD11 ILE A 22 -8.323 13.176 -36.252 1.00 71.52 H new ATOM 0 HD12 ILE A 22 -7.657 13.595 -34.655 1.00 71.52 H new ATOM 0 HD13 ILE A 22 -8.500 14.830 -35.620 1.00 71.52 H new ATOM 318 N LEU A 23 -3.021 16.793 -34.621 1.00 61.23 N ATOM 319 CA LEU A 23 -2.330 17.932 -34.005 1.00 60.00 C ATOM 320 C LEU A 23 -1.004 18.236 -34.724 1.00 23.43 C ATOM 321 O LEU A 23 -0.515 19.356 -34.666 1.00 2.51 O ATOM 322 CB LEU A 23 -2.082 17.677 -32.533 1.00 2.21 C ATOM 323 CG LEU A 23 -3.343 17.506 -31.661 1.00 74.12 C ATOM 324 CD1 LEU A 23 -3.005 16.824 -30.343 1.00 52.21 C ATOM 325 CD2 LEU A 23 -3.995 18.847 -31.376 1.00 51.23 C ATOM 0 H LEU A 23 -2.927 15.924 -34.096 1.00 61.23 H new ATOM 0 HA LEU A 23 -2.977 18.803 -34.104 1.00 60.00 H new ATOM 0 HB2 LEU A 23 -1.472 16.779 -32.437 1.00 2.21 H new ATOM 0 HB3 LEU A 23 -1.496 18.505 -32.134 1.00 2.21 H new ATOM 0 HG LEU A 23 -4.040 16.882 -32.219 1.00 74.12 H new ATOM 0 HD11 LEU A 23 -3.911 16.715 -29.747 1.00 52.21 H new ATOM 0 HD12 LEU A 23 -2.581 15.840 -30.541 1.00 52.21 H new ATOM 0 HD13 LEU A 23 -2.281 17.428 -29.796 1.00 52.21 H new ATOM 0 HD21 LEU A 23 -4.881 18.697 -30.760 1.00 51.23 H new ATOM 0 HD22 LEU A 23 -3.290 19.489 -30.848 1.00 51.23 H new ATOM 0 HD23 LEU A 23 -4.282 19.319 -32.316 1.00 51.23 H new ATOM 337 N GLY A 24 -0.421 17.231 -35.370 1.00 2.13 N ATOM 338 CA GLY A 24 0.833 17.439 -36.084 1.00 53.21 C ATOM 339 C GLY A 24 2.022 17.546 -35.154 1.00 10.42 C ATOM 340 O GLY A 24 2.944 18.324 -35.397 1.00 5.03 O ATOM 0 H GLY A 24 -0.789 16.281 -35.414 1.00 2.13 H new ATOM 0 HA2 GLY A 24 0.993 16.614 -36.778 1.00 53.21 H new ATOM 0 HA3 GLY A 24 0.760 18.348 -36.681 1.00 53.21 H new ATOM 344 N VAL A 25 1.988 16.791 -34.064 1.00 64.45 N ATOM 345 CA VAL A 25 3.037 16.851 -33.038 1.00 21.25 C ATOM 346 C VAL A 25 3.906 15.589 -33.039 1.00 42.42 C ATOM 347 O VAL A 25 3.495 14.534 -33.513 1.00 3.14 O ATOM 348 CB VAL A 25 2.433 17.066 -31.619 1.00 71.32 C ATOM 349 CG1 VAL A 25 1.716 18.428 -31.545 1.00 24.20 C ATOM 350 CG2 VAL A 25 1.454 15.941 -31.259 1.00 70.22 C ATOM 0 H VAL A 25 1.243 16.124 -33.861 1.00 64.45 H new ATOM 0 HA VAL A 25 3.666 17.705 -33.287 1.00 21.25 H new ATOM 0 HB VAL A 25 3.252 17.052 -30.900 1.00 71.32 H new ATOM 0 HG11 VAL A 25 1.298 18.566 -30.548 1.00 24.20 H new ATOM 0 HG12 VAL A 25 2.429 19.226 -31.753 1.00 24.20 H new ATOM 0 HG13 VAL A 25 0.913 18.457 -32.282 1.00 24.20 H new ATOM 0 HG21 VAL A 25 1.048 16.117 -30.263 1.00 70.22 H new ATOM 0 HG22 VAL A 25 0.641 15.921 -31.984 1.00 70.22 H new ATOM 0 HG23 VAL A 25 1.977 14.985 -31.274 1.00 70.22 H new ATOM 360 N GLU A 26 5.116 15.724 -32.515 1.00 24.30 N ATOM 361 CA GLU A 26 6.108 14.647 -32.501 1.00 74.31 C ATOM 362 C GLU A 26 5.700 13.438 -31.677 1.00 45.13 C ATOM 363 O GLU A 26 5.977 12.281 -32.041 1.00 52.33 O ATOM 364 CB GLU A 26 7.420 15.175 -31.910 1.00 51.20 C ATOM 365 CG GLU A 26 8.109 16.293 -32.711 1.00 42.13 C ATOM 366 CD GLU A 26 8.686 15.807 -34.039 1.00 33.51 C ATOM 367 OE1 GLU A 26 9.377 14.762 -34.047 1.00 24.21 O ATOM 368 OE2 GLU A 26 8.493 16.499 -35.063 1.00 5.15 O ATOM 0 H GLU A 26 5.444 16.588 -32.083 1.00 24.30 H new ATOM 0 HA GLU A 26 6.210 14.326 -33.538 1.00 74.31 H new ATOM 0 HB2 GLU A 26 7.222 15.543 -30.904 1.00 51.20 H new ATOM 0 HB3 GLU A 26 8.115 14.341 -31.813 1.00 51.20 H new ATOM 0 HG2 GLU A 26 7.391 17.090 -32.903 1.00 42.13 H new ATOM 0 HG3 GLU A 26 8.909 16.723 -32.109 1.00 42.13 H new ATOM 375 N ARG A 27 5.087 13.685 -30.524 1.00 71.35 N ATOM 376 CA ARG A 27 4.684 12.607 -29.596 1.00 42.55 C ATOM 377 C ARG A 27 3.465 13.002 -28.836 1.00 43.23 C ATOM 378 O ARG A 27 3.141 14.177 -28.738 1.00 73.11 O ATOM 379 CB ARG A 27 5.774 12.329 -28.557 1.00 2.24 C ATOM 380 CG ARG A 27 7.048 11.751 -29.154 1.00 23.22 C ATOM 381 CD ARG A 27 8.024 11.407 -28.071 1.00 73.45 C ATOM 382 NE ARG A 27 9.219 10.764 -28.641 1.00 53.32 N ATOM 383 CZ ARG A 27 10.278 10.333 -27.953 1.00 12.23 C ATOM 384 NH1 ARG A 27 10.364 10.465 -26.656 1.00 12.45 N ATOM 385 NH2 ARG A 27 11.258 9.751 -28.588 1.00 32.04 N ATOM 0 H ARG A 27 4.853 14.623 -30.199 1.00 71.35 H new ATOM 0 HA ARG A 27 4.503 11.722 -30.207 1.00 42.55 H new ATOM 0 HB2 ARG A 27 6.014 13.256 -28.037 1.00 2.24 H new ATOM 0 HB3 ARG A 27 5.385 11.636 -27.811 1.00 2.24 H new ATOM 0 HG2 ARG A 27 6.813 10.860 -29.736 1.00 23.22 H new ATOM 0 HG3 ARG A 27 7.495 12.471 -29.840 1.00 23.22 H new ATOM 0 HD2 ARG A 27 8.311 12.310 -27.532 1.00 73.45 H new ATOM 0 HD3 ARG A 27 7.554 10.740 -27.348 1.00 73.45 H new ATOM 0 HE ARG A 27 9.239 10.636 -29.653 1.00 53.32 H new ATOM 0 HH11 ARG A 27 9.606 10.909 -26.137 1.00 12.45 H new ATOM 0 HH12 ARG A 27 11.189 10.124 -26.162 1.00 12.45 H new ATOM 0 HH21 ARG A 27 11.209 9.630 -29.600 1.00 32.04 H new ATOM 0 HH22 ARG A 27 12.073 9.417 -28.073 1.00 32.04 H new ATOM 399 N VAL A 28 2.805 11.980 -28.252 1.00 40.11 N ATOM 400 CA VAL A 28 1.671 12.166 -27.408 1.00 3.05 C ATOM 401 C VAL A 28 1.825 11.196 -26.246 1.00 41.42 C ATOM 402 O VAL A 28 1.992 9.998 -26.461 1.00 10.13 O ATOM 403 CB VAL A 28 0.350 11.849 -28.163 1.00 2.20 C ATOM 404 CG1 VAL A 28 -0.891 12.193 -27.300 1.00 33.45 C ATOM 405 CG2 VAL A 28 0.241 12.599 -29.475 1.00 24.04 C ATOM 0 H VAL A 28 3.070 11.003 -28.373 1.00 40.11 H new ATOM 0 HA VAL A 28 1.621 13.202 -27.073 1.00 3.05 H new ATOM 0 HB VAL A 28 0.376 10.779 -28.368 1.00 2.20 H new ATOM 0 HG11 VAL A 28 -1.798 11.959 -27.858 1.00 33.45 H new ATOM 0 HG12 VAL A 28 -0.869 11.607 -26.381 1.00 33.45 H new ATOM 0 HG13 VAL A 28 -0.880 13.255 -27.054 1.00 33.45 H new ATOM 0 HG21 VAL A 28 -0.699 12.343 -29.963 1.00 24.04 H new ATOM 0 HG22 VAL A 28 0.271 13.672 -29.284 1.00 24.04 H new ATOM 0 HG23 VAL A 28 1.073 12.323 -30.122 1.00 24.04 H new ATOM 415 N GLY A 29 1.754 11.715 -25.020 1.00 72.10 N ATOM 416 CA GLY A 29 1.756 10.844 -23.862 1.00 12.41 C ATOM 417 C GLY A 29 0.334 10.495 -23.484 1.00 75.41 C ATOM 418 O GLY A 29 -0.600 11.184 -23.917 1.00 55.25 O ATOM 0 H GLY A 29 1.696 12.712 -24.813 1.00 72.10 H new ATOM 0 HA2 GLY A 29 2.318 9.936 -24.079 1.00 12.41 H new ATOM 0 HA3 GLY A 29 2.254 11.335 -23.026 1.00 12.41 H new ATOM 422 N VAL A 30 0.145 9.483 -22.652 1.00 31.41 N ATOM 423 CA VAL A 30 -1.193 9.116 -22.207 1.00 72.52 C ATOM 424 C VAL A 30 -1.890 10.264 -21.454 1.00 65.50 C ATOM 425 O VAL A 30 -3.108 10.337 -21.420 1.00 3.04 O ATOM 426 CB VAL A 30 -1.149 7.851 -21.260 1.00 32.51 C ATOM 427 CG1 VAL A 30 -1.231 6.553 -22.074 1.00 11.34 C ATOM 428 CG2 VAL A 30 0.128 7.845 -20.392 1.00 64.55 C ATOM 0 H VAL A 30 0.894 8.904 -22.273 1.00 31.41 H new ATOM 0 HA VAL A 30 -1.762 8.889 -23.109 1.00 72.52 H new ATOM 0 HB VAL A 30 -2.015 7.909 -20.601 1.00 32.51 H new ATOM 0 HG11 VAL A 30 -1.199 5.698 -21.399 1.00 11.34 H new ATOM 0 HG12 VAL A 30 -2.164 6.535 -22.638 1.00 11.34 H new ATOM 0 HG13 VAL A 30 -0.389 6.503 -22.764 1.00 11.34 H new ATOM 0 HG21 VAL A 30 0.129 6.963 -19.752 1.00 64.55 H new ATOM 0 HG22 VAL A 30 1.006 7.826 -21.037 1.00 64.55 H new ATOM 0 HG23 VAL A 30 0.152 8.742 -19.773 1.00 64.55 H new ATOM 438 N ASP A 31 -1.117 11.161 -20.861 1.00 54.04 N ATOM 439 CA ASP A 31 -1.666 12.246 -20.073 1.00 25.00 C ATOM 440 C ASP A 31 -1.469 13.601 -20.757 1.00 25.04 C ATOM 441 O ASP A 31 -1.448 14.619 -20.103 1.00 21.40 O ATOM 442 CB ASP A 31 -1.055 12.254 -18.663 1.00 40.55 C ATOM 443 CG ASP A 31 -1.402 11.028 -17.847 1.00 30.34 C ATOM 444 OD1 ASP A 31 -2.609 10.864 -17.508 1.00 3.31 O ATOM 445 OD2 ASP A 31 -0.506 10.200 -17.564 1.00 73.02 O ATOM 0 H ASP A 31 -0.098 11.155 -20.914 1.00 54.04 H new ATOM 0 HA ASP A 31 -2.739 12.078 -19.986 1.00 25.00 H new ATOM 0 HB2 ASP A 31 0.029 12.330 -18.746 1.00 40.55 H new ATOM 0 HB3 ASP A 31 -1.397 13.142 -18.132 1.00 40.55 H new ATOM 450 N ASP A 32 -1.224 13.602 -22.068 1.00 32.05 N ATOM 451 CA ASP A 32 -0.934 14.862 -22.768 1.00 32.21 C ATOM 452 C ASP A 32 -2.198 15.654 -23.086 1.00 31.50 C ATOM 453 O ASP A 32 -3.178 15.112 -23.606 1.00 61.05 O ATOM 454 CB ASP A 32 -0.196 14.604 -24.082 1.00 63.41 C ATOM 455 CG ASP A 32 1.236 15.084 -24.044 1.00 14.13 C ATOM 456 OD1 ASP A 32 1.532 16.041 -23.289 1.00 20.21 O ATOM 457 OD2 ASP A 32 2.080 14.473 -24.714 1.00 31.23 O ATOM 0 H ASP A 32 -1.219 12.770 -22.657 1.00 32.05 H new ATOM 0 HA ASP A 32 -0.310 15.443 -22.089 1.00 32.21 H new ATOM 0 HB2 ASP A 32 -0.212 13.536 -24.301 1.00 63.41 H new ATOM 0 HB3 ASP A 32 -0.722 15.104 -24.895 1.00 63.41 H new ATOM 462 N ALA A 33 -2.187 16.934 -22.751 1.00 14.13 N ATOM 463 CA ALA A 33 -3.364 17.768 -22.943 1.00 61.02 C ATOM 464 C ALA A 33 -3.527 18.169 -24.410 1.00 4.22 C ATOM 465 O ALA A 33 -2.658 18.796 -25.004 1.00 30.54 O ATOM 466 CB ALA A 33 -3.284 18.999 -22.045 1.00 24.02 C ATOM 0 H ALA A 33 -1.383 17.416 -22.348 1.00 14.13 H new ATOM 0 HA ALA A 33 -4.245 17.189 -22.664 1.00 61.02 H new ATOM 0 HB1 ALA A 33 -4.169 19.617 -22.195 1.00 24.02 H new ATOM 0 HB2 ALA A 33 -3.233 18.686 -21.002 1.00 24.02 H new ATOM 0 HB3 ALA A 33 -2.393 19.574 -22.295 1.00 24.02 H new ATOM 472 N PHE A 34 -4.692 17.861 -24.959 1.00 63.44 N ATOM 473 CA PHE A 34 -5.031 18.177 -26.348 1.00 0.04 C ATOM 474 C PHE A 34 -4.817 19.654 -26.659 1.00 61.40 C ATOM 475 O PHE A 34 -4.319 20.007 -27.718 1.00 25.44 O ATOM 476 CB PHE A 34 -6.503 17.800 -26.591 1.00 22.23 C ATOM 477 CG PHE A 34 -6.947 17.914 -28.033 1.00 70.22 C ATOM 478 CD1 PHE A 34 -6.602 16.927 -28.971 1.00 31.14 C ATOM 479 CD2 PHE A 34 -7.748 18.992 -28.447 1.00 31.24 C ATOM 480 CE1 PHE A 34 -7.033 17.012 -30.317 1.00 42.34 C ATOM 481 CE2 PHE A 34 -8.200 19.090 -29.795 1.00 5.42 C ATOM 482 CZ PHE A 34 -7.834 18.103 -30.731 1.00 15.30 C ATOM 0 H PHE A 34 -5.437 17.381 -24.454 1.00 63.44 H new ATOM 0 HA PHE A 34 -4.375 17.607 -27.006 1.00 0.04 H new ATOM 0 HB2 PHE A 34 -6.664 16.776 -26.254 1.00 22.23 H new ATOM 0 HB3 PHE A 34 -7.136 18.441 -25.977 1.00 22.23 H new ATOM 0 HD1 PHE A 34 -5.997 16.088 -28.660 1.00 31.14 H new ATOM 0 HD2 PHE A 34 -8.024 19.755 -27.735 1.00 31.24 H new ATOM 0 HE1 PHE A 34 -6.752 16.247 -31.025 1.00 42.34 H new ATOM 0 HE2 PHE A 34 -8.822 19.919 -30.098 1.00 5.42 H new ATOM 0 HZ PHE A 34 -8.162 18.178 -31.757 1.00 15.30 H new ATOM 492 N HIS A 35 -5.184 20.518 -25.725 1.00 65.31 N ATOM 493 CA HIS A 35 -5.083 21.960 -25.939 1.00 45.42 C ATOM 494 C HIS A 35 -3.672 22.529 -25.765 1.00 64.25 C ATOM 495 O HIS A 35 -3.378 23.590 -26.299 1.00 23.22 O ATOM 496 CB HIS A 35 -6.045 22.693 -25.000 1.00 2.42 C ATOM 497 CG HIS A 35 -5.814 22.408 -23.547 1.00 64.34 C ATOM 498 ND1 HIS A 35 -6.586 21.559 -22.796 1.00 73.40 N ATOM 499 CD2 HIS A 35 -4.881 22.894 -22.680 1.00 3.45 C ATOM 500 CE1 HIS A 35 -6.114 21.556 -21.553 1.00 24.32 C ATOM 501 NE2 HIS A 35 -5.073 22.349 -21.426 1.00 31.11 N ATOM 0 H HIS A 35 -5.554 20.250 -24.813 1.00 65.31 H new ATOM 0 HA HIS A 35 -5.351 22.123 -26.983 1.00 45.42 H new ATOM 0 HB2 HIS A 35 -5.954 23.766 -25.168 1.00 2.42 H new ATOM 0 HB3 HIS A 35 -7.068 22.416 -25.256 1.00 2.42 H new ATOM 0 HD2 HIS A 35 -4.106 23.601 -22.936 1.00 3.45 H new ATOM 0 HE1 HIS A 35 -6.534 20.974 -20.746 1.00 24.32 H new ATOM 0 HE2 HIS A 35 -4.526 22.524 -20.583 1.00 31.11 H new ATOM 509 N ASP A 36 -2.801 21.841 -25.035 1.00 15.24 N ATOM 510 CA ASP A 36 -1.423 22.327 -24.844 1.00 64.41 C ATOM 511 C ASP A 36 -0.671 22.066 -26.135 1.00 61.31 C ATOM 512 O ASP A 36 0.155 22.852 -26.588 1.00 3.44 O ATOM 513 CB ASP A 36 -0.746 21.592 -23.684 1.00 53.20 C ATOM 514 CG ASP A 36 0.589 22.202 -23.310 1.00 65.22 C ATOM 515 OD1 ASP A 36 0.587 23.313 -22.736 1.00 20.01 O ATOM 516 OD2 ASP A 36 1.631 21.555 -23.538 1.00 43.31 O ATOM 0 H ASP A 36 -3.011 20.958 -24.569 1.00 15.24 H new ATOM 0 HA ASP A 36 -1.426 23.390 -24.602 1.00 64.41 H new ATOM 0 HB2 ASP A 36 -1.404 21.607 -22.815 1.00 53.20 H new ATOM 0 HB3 ASP A 36 -0.600 20.547 -23.956 1.00 53.20 H new ATOM 521 N LEU A 37 -1.075 20.983 -26.780 1.00 22.23 N ATOM 522 CA LEU A 37 -0.547 20.574 -28.076 1.00 43.44 C ATOM 523 C LEU A 37 -1.236 21.359 -29.215 1.00 53.32 C ATOM 524 O LEU A 37 -1.135 21.002 -30.384 1.00 40.22 O ATOM 525 CB LEU A 37 -0.762 19.058 -28.236 1.00 75.02 C ATOM 526 CG LEU A 37 0.284 18.084 -27.633 1.00 42.32 C ATOM 527 CD1 LEU A 37 0.656 18.360 -26.174 1.00 62.44 C ATOM 528 CD2 LEU A 37 -0.263 16.650 -27.731 1.00 42.15 C ATOM 0 H LEU A 37 -1.789 20.353 -26.414 1.00 22.23 H new ATOM 0 HA LEU A 37 0.519 20.795 -28.130 1.00 43.44 H new ATOM 0 HB2 LEU A 37 -1.730 18.815 -27.798 1.00 75.02 H new ATOM 0 HB3 LEU A 37 -0.833 18.846 -29.303 1.00 75.02 H new ATOM 0 HG LEU A 37 1.196 18.228 -28.213 1.00 42.32 H new ATOM 0 HD11 LEU A 37 1.392 17.628 -25.842 1.00 62.44 H new ATOM 0 HD12 LEU A 37 1.076 19.362 -26.089 1.00 62.44 H new ATOM 0 HD13 LEU A 37 -0.235 18.286 -25.551 1.00 62.44 H new ATOM 0 HD21 LEU A 37 0.463 15.954 -27.310 1.00 42.15 H new ATOM 0 HD22 LEU A 37 -1.198 16.579 -27.176 1.00 42.15 H new ATOM 0 HD23 LEU A 37 -0.442 16.400 -28.777 1.00 42.15 H new ATOM 540 N GLY A 38 -1.917 22.446 -28.859 1.00 65.21 N ATOM 541 CA GLY A 38 -2.508 23.345 -29.842 1.00 52.54 C ATOM 542 C GLY A 38 -3.925 23.041 -30.302 1.00 71.12 C ATOM 543 O GLY A 38 -4.479 23.717 -31.144 1.00 14.15 O ATOM 0 H GLY A 38 -2.073 22.725 -27.890 1.00 65.21 H new ATOM 0 HA2 GLY A 38 -2.497 24.353 -29.427 1.00 52.54 H new ATOM 0 HA3 GLY A 38 -1.863 23.355 -30.721 1.00 52.54 H new ATOM 547 N GLY A 39 -4.517 21.997 -29.759 1.00 52.23 N ATOM 548 CA GLY A 39 -5.842 21.564 -30.180 1.00 14.40 C ATOM 549 C GLY A 39 -7.000 22.428 -29.719 1.00 44.54 C ATOM 550 O GLY A 39 -7.488 22.297 -28.590 1.00 22.54 O ATOM 0 H GLY A 39 -4.102 21.427 -29.021 1.00 52.23 H new ATOM 0 HA2 GLY A 39 -5.859 21.519 -31.269 1.00 14.40 H new ATOM 0 HA3 GLY A 39 -6.004 20.549 -29.816 1.00 14.40 H new ATOM 554 N SER A 40 -7.496 23.260 -30.630 1.00 64.50 N ATOM 555 CA SER A 40 -8.664 24.079 -30.360 1.00 13.55 C ATOM 556 C SER A 40 -9.928 23.221 -30.322 1.00 3.11 C ATOM 557 O SER A 40 -9.958 22.110 -30.849 1.00 22.11 O ATOM 558 CB SER A 40 -8.804 25.123 -31.469 1.00 1.03 C ATOM 559 OG SER A 40 -9.090 24.501 -32.714 1.00 42.03 O ATOM 0 H SER A 40 -7.103 23.382 -31.563 1.00 64.50 H new ATOM 0 HA SER A 40 -8.539 24.563 -29.391 1.00 13.55 H new ATOM 0 HB2 SER A 40 -9.599 25.824 -31.216 1.00 1.03 H new ATOM 0 HB3 SER A 40 -7.883 25.701 -31.549 1.00 1.03 H new ATOM 0 HG SER A 40 -9.177 25.186 -33.409 1.00 42.03 H new ATOM 565 N SER A 41 -11.007 23.761 -29.770 1.00 32.40 N ATOM 566 CA SER A 41 -12.282 23.032 -29.733 1.00 51.55 C ATOM 567 C SER A 41 -12.833 22.795 -31.143 1.00 21.51 C ATOM 568 O SER A 41 -13.589 21.856 -31.368 1.00 55.04 O ATOM 569 CB SER A 41 -13.320 23.798 -28.906 1.00 22.32 C ATOM 570 OG SER A 41 -14.515 23.044 -28.779 1.00 41.40 O ATOM 0 H SER A 41 -11.033 24.688 -29.345 1.00 32.40 H new ATOM 0 HA SER A 41 -12.088 22.066 -29.267 1.00 51.55 H new ATOM 0 HB2 SER A 41 -12.915 24.017 -27.918 1.00 22.32 H new ATOM 0 HB3 SER A 41 -13.537 24.755 -29.381 1.00 22.32 H new ATOM 0 HG SER A 41 -15.165 23.548 -28.247 1.00 41.40 H new ATOM 576 N ALA A 42 -12.436 23.625 -32.098 1.00 0.34 N ATOM 577 CA ALA A 42 -12.855 23.441 -33.478 1.00 73.32 C ATOM 578 C ALA A 42 -12.162 22.198 -34.056 1.00 41.11 C ATOM 579 O ALA A 42 -12.754 21.417 -34.804 1.00 21.41 O ATOM 580 CB ALA A 42 -12.505 24.690 -34.304 1.00 33.33 C ATOM 0 H ALA A 42 -11.827 24.428 -31.942 1.00 0.34 H new ATOM 0 HA ALA A 42 -13.935 23.296 -33.518 1.00 73.32 H new ATOM 0 HB1 ALA A 42 -12.822 24.544 -35.337 1.00 33.33 H new ATOM 0 HB2 ALA A 42 -13.016 25.557 -33.887 1.00 33.33 H new ATOM 0 HB3 ALA A 42 -11.428 24.855 -34.275 1.00 33.33 H new ATOM 586 N LEU A 43 -10.904 22.019 -33.683 1.00 53.45 N ATOM 587 CA LEU A 43 -10.118 20.872 -34.135 1.00 20.23 C ATOM 588 C LEU A 43 -10.616 19.586 -33.470 1.00 21.30 C ATOM 589 O LEU A 43 -10.598 18.519 -34.074 1.00 44.01 O ATOM 590 CB LEU A 43 -8.650 21.083 -33.805 1.00 53.51 C ATOM 591 CG LEU A 43 -7.675 20.074 -34.426 1.00 4.12 C ATOM 592 CD1 LEU A 43 -7.759 20.073 -35.964 1.00 14.13 C ATOM 593 CD2 LEU A 43 -6.274 20.406 -34.010 1.00 41.44 C ATOM 0 H LEU A 43 -10.400 22.655 -33.065 1.00 53.45 H new ATOM 0 HA LEU A 43 -10.234 20.778 -35.215 1.00 20.23 H new ATOM 0 HB2 LEU A 43 -8.364 22.083 -34.130 1.00 53.51 H new ATOM 0 HB3 LEU A 43 -8.533 21.054 -32.722 1.00 53.51 H new ATOM 0 HG LEU A 43 -7.952 19.082 -34.069 1.00 4.12 H new ATOM 0 HD11 LEU A 43 -7.054 19.346 -36.366 1.00 14.13 H new ATOM 0 HD12 LEU A 43 -8.770 19.807 -36.273 1.00 14.13 H new ATOM 0 HD13 LEU A 43 -7.513 21.065 -36.342 1.00 14.13 H new ATOM 0 HD21 LEU A 43 -5.583 19.688 -34.452 1.00 41.44 H new ATOM 0 HD22 LEU A 43 -6.021 21.410 -34.351 1.00 41.44 H new ATOM 0 HD23 LEU A 43 -6.197 20.362 -32.924 1.00 41.44 H new ATOM 605 N ALA A 44 -11.094 19.709 -32.237 1.00 3.44 N ATOM 606 CA ALA A 44 -11.634 18.571 -31.498 1.00 22.40 C ATOM 607 C ALA A 44 -12.759 17.852 -32.256 1.00 62.22 C ATOM 608 O ALA A 44 -12.901 16.656 -32.185 1.00 44.12 O ATOM 609 CB ALA A 44 -12.118 19.041 -30.110 1.00 53.52 C ATOM 0 H ALA A 44 -11.119 20.591 -31.724 1.00 3.44 H new ATOM 0 HA ALA A 44 -10.832 17.842 -31.379 1.00 22.40 H new ATOM 0 HB1 ALA A 44 -12.521 18.192 -29.558 1.00 53.52 H new ATOM 0 HB2 ALA A 44 -11.281 19.468 -29.558 1.00 53.52 H new ATOM 0 HB3 ALA A 44 -12.895 19.796 -30.232 1.00 53.52 H new ATOM 615 N MET A 45 -13.528 18.598 -33.047 1.00 30.41 N ATOM 616 CA MET A 45 -14.582 18.012 -33.858 1.00 0.41 C ATOM 617 C MET A 45 -14.021 17.058 -34.914 1.00 43.44 C ATOM 618 O MET A 45 -14.656 16.069 -35.284 1.00 63.41 O ATOM 619 CB MET A 45 -15.394 19.098 -34.572 1.00 44.42 C ATOM 620 CG MET A 45 -16.107 20.043 -33.620 1.00 2.14 C ATOM 621 SD MET A 45 -17.357 19.186 -32.651 1.00 31.25 S ATOM 622 CE MET A 45 -18.096 20.548 -31.752 1.00 64.14 C ATOM 0 H MET A 45 -13.437 19.610 -33.140 1.00 30.41 H new ATOM 0 HA MET A 45 -15.224 17.455 -33.175 1.00 0.41 H new ATOM 0 HB2 MET A 45 -14.729 19.675 -35.214 1.00 44.42 H new ATOM 0 HB3 MET A 45 -16.131 18.623 -35.220 1.00 44.42 H new ATOM 0 HG2 MET A 45 -15.380 20.504 -32.951 1.00 2.14 H new ATOM 0 HG3 MET A 45 -16.574 20.848 -34.187 1.00 2.14 H new ATOM 0 HE1 MET A 45 -18.890 20.170 -31.108 1.00 64.14 H new ATOM 0 HE2 MET A 45 -17.336 21.037 -31.143 1.00 64.14 H new ATOM 0 HE3 MET A 45 -18.513 21.266 -32.458 1.00 64.14 H new ATOM 632 N ARG A 46 -12.813 17.323 -35.394 1.00 2.21 N ATOM 633 CA ARG A 46 -12.178 16.438 -36.388 1.00 51.42 C ATOM 634 C ARG A 46 -11.662 15.193 -35.696 1.00 62.51 C ATOM 635 O ARG A 46 -11.697 14.119 -36.274 1.00 5.52 O ATOM 636 CB ARG A 46 -11.017 17.149 -37.110 1.00 3.33 C ATOM 637 CG ARG A 46 -11.444 18.098 -38.237 1.00 11.03 C ATOM 638 CD ARG A 46 -12.015 19.426 -37.737 1.00 14.32 C ATOM 639 NE ARG A 46 -12.385 20.297 -38.867 1.00 72.10 N ATOM 640 CZ ARG A 46 -13.016 21.466 -38.770 1.00 23.41 C ATOM 641 NH1 ARG A 46 -13.363 21.985 -37.616 1.00 31.21 N ATOM 642 NH2 ARG A 46 -13.297 22.128 -39.856 1.00 15.02 N ATOM 0 H ARG A 46 -12.252 18.130 -35.122 1.00 2.21 H new ATOM 0 HA ARG A 46 -12.925 16.168 -37.134 1.00 51.42 H new ATOM 0 HB2 ARG A 46 -10.443 17.715 -36.376 1.00 3.33 H new ATOM 0 HB3 ARG A 46 -10.349 16.394 -37.524 1.00 3.33 H new ATOM 0 HG2 ARG A 46 -10.584 18.300 -38.876 1.00 11.03 H new ATOM 0 HG3 ARG A 46 -12.191 17.601 -38.856 1.00 11.03 H new ATOM 0 HD2 ARG A 46 -12.890 19.239 -37.115 1.00 14.32 H new ATOM 0 HD3 ARG A 46 -11.280 19.930 -37.110 1.00 14.32 H new ATOM 0 HE ARG A 46 -12.137 19.977 -39.803 1.00 72.10 H new ATOM 0 HH11 ARG A 46 -13.150 21.490 -36.750 1.00 31.21 H new ATOM 0 HH12 ARG A 46 -13.845 22.883 -37.585 1.00 31.21 H new ATOM 0 HH21 ARG A 46 -13.034 21.750 -40.766 1.00 15.02 H new ATOM 0 HH22 ARG A 46 -13.780 23.024 -39.796 1.00 15.02 H new ATOM 656 N LEU A 47 -11.230 15.339 -34.450 1.00 72.43 N ATOM 657 CA LEU A 47 -10.783 14.200 -33.640 1.00 75.24 C ATOM 658 C LEU A 47 -11.943 13.224 -33.476 1.00 42.44 C ATOM 659 O LEU A 47 -11.802 12.035 -33.701 1.00 54.33 O ATOM 660 CB LEU A 47 -10.264 14.662 -32.281 1.00 51.42 C ATOM 661 CG LEU A 47 -9.684 13.569 -31.372 1.00 65.24 C ATOM 662 CD1 LEU A 47 -8.390 13.000 -31.949 1.00 63.10 C ATOM 663 CD2 LEU A 47 -9.407 14.164 -29.985 1.00 72.05 C ATOM 0 H LEU A 47 -11.178 16.238 -33.971 1.00 72.43 H new ATOM 0 HA LEU A 47 -9.958 13.701 -34.147 1.00 75.24 H new ATOM 0 HB2 LEU A 47 -9.494 15.415 -32.446 1.00 51.42 H new ATOM 0 HB3 LEU A 47 -11.080 15.152 -31.750 1.00 51.42 H new ATOM 0 HG LEU A 47 -10.409 12.758 -31.298 1.00 65.24 H new ATOM 0 HD11 LEU A 47 -8.003 12.228 -31.283 1.00 63.10 H new ATOM 0 HD12 LEU A 47 -8.588 12.567 -32.930 1.00 63.10 H new ATOM 0 HD13 LEU A 47 -7.653 13.798 -32.047 1.00 63.10 H new ATOM 0 HD21 LEU A 47 -8.995 13.393 -29.334 1.00 72.05 H new ATOM 0 HD22 LEU A 47 -8.692 14.982 -30.076 1.00 72.05 H new ATOM 0 HD23 LEU A 47 -10.337 14.540 -29.558 1.00 72.05 H new ATOM 675 N ILE A 48 -13.110 13.765 -33.124 1.00 32.21 N ATOM 676 CA ILE A 48 -14.321 12.970 -32.927 1.00 75.04 C ATOM 677 C ILE A 48 -14.717 12.267 -34.221 1.00 73.34 C ATOM 678 O ILE A 48 -15.110 11.112 -34.198 1.00 64.01 O ATOM 679 CB ILE A 48 -15.487 13.874 -32.425 1.00 54.44 C ATOM 680 CG1 ILE A 48 -15.141 14.445 -31.031 1.00 44.32 C ATOM 681 CG2 ILE A 48 -16.823 13.087 -32.352 1.00 14.14 C ATOM 682 CD1 ILE A 48 -15.977 15.643 -30.617 1.00 65.12 C ATOM 0 H ILE A 48 -13.241 14.764 -32.968 1.00 32.21 H new ATOM 0 HA ILE A 48 -14.116 12.212 -32.171 1.00 75.04 H new ATOM 0 HB ILE A 48 -15.614 14.689 -33.137 1.00 54.44 H new ATOM 0 HG12 ILE A 48 -15.265 13.657 -30.288 1.00 44.32 H new ATOM 0 HG13 ILE A 48 -14.089 14.730 -31.020 1.00 44.32 H new ATOM 0 HG21 ILE A 48 -17.615 13.747 -31.998 1.00 14.14 H new ATOM 0 HG22 ILE A 48 -17.079 12.712 -33.343 1.00 14.14 H new ATOM 0 HG23 ILE A 48 -16.714 12.249 -31.663 1.00 14.14 H new ATOM 0 HD11 ILE A 48 -15.667 15.978 -29.627 1.00 65.12 H new ATOM 0 HD12 ILE A 48 -15.835 16.451 -31.335 1.00 65.12 H new ATOM 0 HD13 ILE A 48 -17.030 15.361 -30.592 1.00 65.12 H new ATOM 694 N ALA A 49 -14.594 12.956 -35.349 1.00 52.22 N ATOM 695 CA ALA A 49 -14.906 12.344 -36.639 1.00 72.14 C ATOM 696 C ALA A 49 -13.943 11.181 -36.959 1.00 32.31 C ATOM 697 O ALA A 49 -14.384 10.133 -37.414 1.00 1.14 O ATOM 698 CB ALA A 49 -14.849 13.396 -37.750 1.00 53.03 C ATOM 0 H ALA A 49 -14.285 13.927 -35.400 1.00 52.22 H new ATOM 0 HA ALA A 49 -15.916 11.937 -36.581 1.00 72.14 H new ATOM 0 HB1 ALA A 49 -15.083 12.928 -38.706 1.00 53.03 H new ATOM 0 HB2 ALA A 49 -15.574 14.183 -37.544 1.00 53.03 H new ATOM 0 HB3 ALA A 49 -13.849 13.827 -37.792 1.00 53.03 H new ATOM 704 N ARG A 50 -12.652 11.374 -36.711 1.00 12.40 N ATOM 705 CA ARG A 50 -11.661 10.349 -37.002 1.00 3.42 C ATOM 706 C ARG A 50 -11.861 9.126 -36.122 1.00 4.30 C ATOM 707 O ARG A 50 -11.599 8.027 -36.549 1.00 30.02 O ATOM 708 CB ARG A 50 -10.226 10.879 -36.717 1.00 13.20 C ATOM 709 CG ARG A 50 -9.102 10.367 -37.632 1.00 45.22 C ATOM 710 CD ARG A 50 -9.012 11.042 -39.016 1.00 44.41 C ATOM 711 NE ARG A 50 -7.866 10.507 -39.781 1.00 54.15 N ATOM 712 CZ ARG A 50 -6.615 10.975 -39.743 1.00 61.01 C ATOM 713 NH1 ARG A 50 -6.256 11.984 -38.992 1.00 13.13 N ATOM 714 NH2 ARG A 50 -5.695 10.416 -40.481 1.00 22.10 N ATOM 0 H ARG A 50 -12.269 12.230 -36.310 1.00 12.40 H new ATOM 0 HA ARG A 50 -11.781 10.086 -38.053 1.00 3.42 H new ATOM 0 HB2 ARG A 50 -10.247 11.967 -36.781 1.00 13.20 H new ATOM 0 HB3 ARG A 50 -9.969 10.625 -35.689 1.00 13.20 H new ATOM 0 HG2 ARG A 50 -8.150 10.502 -37.119 1.00 45.22 H new ATOM 0 HG3 ARG A 50 -9.236 9.295 -37.778 1.00 45.22 H new ATOM 0 HD2 ARG A 50 -9.936 10.874 -39.569 1.00 44.41 H new ATOM 0 HD3 ARG A 50 -8.904 12.120 -38.895 1.00 44.41 H new ATOM 0 HE ARG A 50 -8.046 9.710 -40.392 1.00 54.15 H new ATOM 0 HH11 ARG A 50 -6.944 12.450 -38.401 1.00 13.13 H new ATOM 0 HH12 ARG A 50 -5.288 12.305 -38.998 1.00 13.13 H new ATOM 0 HH21 ARG A 50 -5.933 9.627 -41.082 1.00 22.10 H new ATOM 0 HH22 ARG A 50 -4.738 10.768 -40.457 1.00 22.10 H new ATOM 728 N ILE A 51 -12.320 9.354 -34.902 1.00 24.11 N ATOM 729 CA ILE A 51 -12.500 8.314 -33.944 1.00 63.02 C ATOM 730 C ILE A 51 -13.570 7.331 -34.431 1.00 14.05 C ATOM 731 O ILE A 51 -13.517 6.152 -34.141 1.00 10.31 O ATOM 732 CB ILE A 51 -12.881 8.899 -32.528 1.00 64.42 C ATOM 733 CG1 ILE A 51 -11.600 9.372 -31.804 1.00 25.11 C ATOM 734 CG2 ILE A 51 -13.605 7.862 -31.692 1.00 72.14 C ATOM 735 CD1 ILE A 51 -11.827 10.243 -30.583 1.00 11.04 C ATOM 0 H ILE A 51 -12.576 10.281 -34.561 1.00 24.11 H new ATOM 0 HA ILE A 51 -11.555 7.781 -33.836 1.00 63.02 H new ATOM 0 HB ILE A 51 -13.552 9.747 -32.667 1.00 64.42 H new ATOM 0 HG12 ILE A 51 -11.029 8.494 -31.502 1.00 25.11 H new ATOM 0 HG13 ILE A 51 -10.985 9.924 -32.514 1.00 25.11 H new ATOM 0 HG21 ILE A 51 -13.857 8.289 -30.721 1.00 72.14 H new ATOM 0 HG22 ILE A 51 -14.518 7.557 -32.202 1.00 72.14 H new ATOM 0 HG23 ILE A 51 -12.961 6.994 -31.551 1.00 72.14 H new ATOM 0 HD11 ILE A 51 -10.866 10.520 -30.150 1.00 11.04 H new ATOM 0 HD12 ILE A 51 -12.367 11.144 -30.874 1.00 11.04 H new ATOM 0 HD13 ILE A 51 -12.412 9.692 -29.846 1.00 11.04 H new ATOM 747 N ARG A 52 -14.504 7.804 -35.246 1.00 75.54 N ATOM 748 CA ARG A 52 -15.599 6.940 -35.740 1.00 25.43 C ATOM 749 C ARG A 52 -15.093 5.825 -36.630 1.00 22.52 C ATOM 750 O ARG A 52 -15.676 4.778 -36.729 1.00 42.54 O ATOM 751 CB ARG A 52 -16.630 7.717 -36.513 1.00 3.42 C ATOM 752 CG ARG A 52 -17.265 8.801 -35.689 1.00 50.44 C ATOM 753 CD ARG A 52 -18.562 9.205 -36.317 1.00 31.43 C ATOM 754 NE ARG A 52 -19.182 10.332 -35.608 1.00 61.25 N ATOM 755 CZ ARG A 52 -20.468 10.655 -35.656 1.00 32.23 C ATOM 756 NH1 ARG A 52 -21.332 9.978 -36.372 1.00 43.13 N ATOM 757 NH2 ARG A 52 -20.897 11.671 -34.957 1.00 34.30 N ATOM 0 H ARG A 52 -14.537 8.766 -35.583 1.00 75.54 H new ATOM 0 HA ARG A 52 -16.053 6.516 -34.844 1.00 25.43 H new ATOM 0 HB2 ARG A 52 -16.163 8.159 -37.393 1.00 3.42 H new ATOM 0 HB3 ARG A 52 -17.402 7.036 -36.870 1.00 3.42 H new ATOM 0 HG2 ARG A 52 -17.435 8.448 -34.672 1.00 50.44 H new ATOM 0 HG3 ARG A 52 -16.598 9.660 -35.621 1.00 50.44 H new ATOM 0 HD2 ARG A 52 -18.392 9.479 -37.358 1.00 31.43 H new ATOM 0 HD3 ARG A 52 -19.245 8.356 -36.319 1.00 31.43 H new ATOM 0 HE ARG A 52 -18.574 10.914 -35.032 1.00 61.25 H new ATOM 0 HH11 ARG A 52 -21.023 9.173 -36.917 1.00 43.13 H new ATOM 0 HH12 ARG A 52 -22.313 10.256 -36.384 1.00 43.13 H new ATOM 0 HH21 ARG A 52 -20.246 12.206 -34.383 1.00 34.30 H new ATOM 0 HH22 ARG A 52 -21.883 11.929 -34.985 1.00 34.30 H new ATOM 771 N GLU A 53 -14.023 6.102 -37.342 1.00 3.31 N ATOM 772 CA GLU A 53 -13.469 5.169 -38.329 1.00 50.42 C ATOM 773 C GLU A 53 -12.636 4.130 -37.608 1.00 61.03 C ATOM 774 O GLU A 53 -12.626 2.948 -37.967 1.00 45.24 O ATOM 775 CB GLU A 53 -12.517 5.903 -39.237 1.00 50.52 C ATOM 776 CG GLU A 53 -13.055 7.282 -39.721 1.00 50.23 C ATOM 777 CD GLU A 53 -14.302 7.073 -40.571 1.00 42.34 C ATOM 778 OE1 GLU A 53 -14.240 6.340 -41.587 1.00 34.42 O ATOM 779 OE2 GLU A 53 -15.341 7.698 -40.245 1.00 63.40 O ATOM 0 H GLU A 53 -13.504 6.977 -37.262 1.00 3.31 H new ATOM 0 HA GLU A 53 -14.291 4.722 -38.888 1.00 50.42 H new ATOM 0 HB2 GLU A 53 -11.573 6.054 -38.714 1.00 50.52 H new ATOM 0 HB3 GLU A 53 -12.304 5.280 -40.106 1.00 50.52 H new ATOM 0 HG2 GLU A 53 -13.288 7.914 -38.864 1.00 50.23 H new ATOM 0 HG3 GLU A 53 -12.290 7.799 -40.300 1.00 50.23 H new ATOM 786 N GLU A 54 -11.999 4.607 -36.536 1.00 34.14 N ATOM 787 CA GLU A 54 -11.046 3.751 -35.802 1.00 72.12 C ATOM 788 C GLU A 54 -11.731 2.919 -34.706 1.00 72.22 C ATOM 789 O GLU A 54 -11.394 1.748 -34.548 1.00 21.34 O ATOM 790 CB GLU A 54 -10.014 4.631 -35.127 1.00 55.10 C ATOM 791 CG GLU A 54 -9.049 5.298 -36.106 1.00 55.02 C ATOM 792 CD GLU A 54 -7.894 4.374 -36.485 1.00 32.34 C ATOM 793 OE1 GLU A 54 -7.183 3.878 -35.573 1.00 2.21 O ATOM 794 OE2 GLU A 54 -7.644 4.204 -37.695 1.00 15.00 O ATOM 0 H GLU A 54 -12.115 5.549 -36.161 1.00 34.14 H new ATOM 0 HA GLU A 54 -10.597 3.072 -36.527 1.00 72.12 H new ATOM 0 HB2 GLU A 54 -10.526 5.402 -34.551 1.00 55.10 H new ATOM 0 HB3 GLU A 54 -9.443 4.031 -34.419 1.00 55.10 H new ATOM 0 HG2 GLU A 54 -9.590 5.591 -37.006 1.00 55.02 H new ATOM 0 HG3 GLU A 54 -8.653 6.211 -35.661 1.00 55.02 H new ATOM 801 N LEU A 55 -12.617 3.518 -33.895 1.00 21.10 N ATOM 802 CA LEU A 55 -13.209 2.804 -32.764 1.00 14.33 C ATOM 803 C LEU A 55 -14.634 2.351 -33.094 1.00 64.23 C ATOM 804 O LEU A 55 -15.273 1.628 -32.331 1.00 11.20 O ATOM 805 CB LEU A 55 -13.278 3.683 -31.542 1.00 41.34 C ATOM 806 CG LEU A 55 -11.948 4.292 -30.994 1.00 53.40 C ATOM 807 CD1 LEU A 55 -12.234 5.050 -29.673 1.00 0.34 C ATOM 808 CD2 LEU A 55 -10.865 3.278 -30.731 1.00 50.33 C ATOM 0 H LEU A 55 -12.933 4.482 -34.002 1.00 21.10 H new ATOM 0 HA LEU A 55 -12.573 1.941 -32.566 1.00 14.33 H new ATOM 0 HB2 LEU A 55 -13.955 4.508 -31.763 1.00 41.34 H new ATOM 0 HB3 LEU A 55 -13.734 3.103 -30.740 1.00 41.34 H new ATOM 0 HG LEU A 55 -11.581 4.956 -31.777 1.00 53.40 H new ATOM 0 HD11 LEU A 55 -11.307 5.475 -29.290 1.00 0.34 H new ATOM 0 HD12 LEU A 55 -12.950 5.850 -29.860 1.00 0.34 H new ATOM 0 HD13 LEU A 55 -12.647 4.358 -28.939 1.00 0.34 H new ATOM 0 HD21 LEU A 55 -9.977 3.784 -30.353 1.00 50.33 H new ATOM 0 HD22 LEU A 55 -11.214 2.557 -29.992 1.00 50.33 H new ATOM 0 HD23 LEU A 55 -10.620 2.759 -31.658 1.00 50.33 H new ATOM 820 N GLY A 56 -15.134 2.814 -34.242 1.00 25.43 N ATOM 821 CA GLY A 56 -16.484 2.450 -34.679 1.00 4.05 C ATOM 822 C GLY A 56 -17.586 3.121 -33.887 1.00 72.24 C ATOM 823 O GLY A 56 -18.711 2.626 -33.849 1.00 21.55 O ATOM 0 H GLY A 56 -14.632 3.433 -34.878 1.00 25.43 H new ATOM 0 HA2 GLY A 56 -16.597 2.709 -35.732 1.00 4.05 H new ATOM 0 HA3 GLY A 56 -16.601 1.369 -34.602 1.00 4.05 H new ATOM 827 N VAL A 57 -17.261 4.216 -33.218 1.00 52.25 N ATOM 828 CA VAL A 57 -18.211 4.893 -32.336 1.00 52.21 C ATOM 829 C VAL A 57 -17.989 6.401 -32.371 1.00 42.52 C ATOM 830 O VAL A 57 -16.867 6.854 -32.553 1.00 3.25 O ATOM 831 CB VAL A 57 -18.087 4.325 -30.869 1.00 72.33 C ATOM 832 CG1 VAL A 57 -16.682 4.527 -30.286 1.00 65.34 C ATOM 833 CG2 VAL A 57 -19.113 4.945 -29.931 1.00 24.44 C ATOM 0 H VAL A 57 -16.344 4.660 -33.267 1.00 52.25 H new ATOM 0 HA VAL A 57 -19.224 4.700 -32.688 1.00 52.21 H new ATOM 0 HB VAL A 57 -18.281 3.255 -30.948 1.00 72.33 H new ATOM 0 HG11 VAL A 57 -16.646 4.120 -29.275 1.00 65.34 H new ATOM 0 HG12 VAL A 57 -15.952 4.013 -30.911 1.00 65.34 H new ATOM 0 HG13 VAL A 57 -16.450 5.592 -30.257 1.00 65.34 H new ATOM 0 HG21 VAL A 57 -18.993 4.526 -28.932 1.00 24.44 H new ATOM 0 HG22 VAL A 57 -18.965 6.024 -29.892 1.00 24.44 H new ATOM 0 HG23 VAL A 57 -20.117 4.729 -30.296 1.00 24.44 H new ATOM 843 N ASP A 58 -19.046 7.179 -32.180 1.00 4.11 N ATOM 844 CA ASP A 58 -18.919 8.625 -32.079 1.00 42.21 C ATOM 845 C ASP A 58 -18.485 8.981 -30.662 1.00 51.53 C ATOM 846 O ASP A 58 -19.131 8.624 -29.688 1.00 12.32 O ATOM 847 CB ASP A 58 -20.236 9.325 -32.452 1.00 62.12 C ATOM 848 CG ASP A 58 -21.405 8.926 -31.558 1.00 2.35 C ATOM 849 OD1 ASP A 58 -21.753 7.720 -31.502 1.00 73.22 O ATOM 850 OD2 ASP A 58 -22.061 9.847 -31.026 1.00 32.43 O ATOM 0 H ASP A 58 -20.001 6.832 -32.092 1.00 4.11 H new ATOM 0 HA ASP A 58 -18.165 8.974 -32.785 1.00 42.21 H new ATOM 0 HB2 ASP A 58 -20.095 10.404 -32.394 1.00 62.12 H new ATOM 0 HB3 ASP A 58 -20.483 9.091 -33.488 1.00 62.12 H new ATOM 855 N LEU A 59 -17.352 9.657 -30.547 1.00 72.34 N ATOM 856 CA LEU A 59 -16.815 9.991 -29.234 1.00 21.10 C ATOM 857 C LEU A 59 -17.756 10.978 -28.523 1.00 21.01 C ATOM 858 O LEU A 59 -17.997 12.083 -29.034 1.00 51.11 O ATOM 859 CB LEU A 59 -15.414 10.605 -29.384 1.00 70.02 C ATOM 860 CG LEU A 59 -14.450 10.644 -28.175 1.00 21.43 C ATOM 861 CD1 LEU A 59 -14.907 11.553 -27.044 1.00 10.31 C ATOM 862 CD2 LEU A 59 -14.193 9.230 -27.631 1.00 3.54 C ATOM 0 H LEU A 59 -16.792 9.982 -31.335 1.00 72.34 H new ATOM 0 HA LEU A 59 -16.738 9.084 -28.635 1.00 21.10 H new ATOM 0 HB2 LEU A 59 -14.908 10.065 -30.184 1.00 70.02 H new ATOM 0 HB3 LEU A 59 -15.546 11.632 -29.726 1.00 70.02 H new ATOM 0 HG LEU A 59 -13.524 11.070 -28.562 1.00 21.43 H new ATOM 0 HD11 LEU A 59 -14.176 11.524 -26.236 1.00 10.31 H new ATOM 0 HD12 LEU A 59 -14.999 12.575 -27.413 1.00 10.31 H new ATOM 0 HD13 LEU A 59 -15.873 11.213 -26.672 1.00 10.31 H new ATOM 0 HD21 LEU A 59 -13.512 9.285 -26.782 1.00 3.54 H new ATOM 0 HD22 LEU A 59 -15.136 8.786 -27.312 1.00 3.54 H new ATOM 0 HD23 LEU A 59 -13.748 8.615 -28.413 1.00 3.54 H new ATOM 874 N PRO A 60 -18.258 10.624 -27.326 1.00 20.53 N ATOM 875 CA PRO A 60 -19.103 11.586 -26.604 1.00 24.33 C ATOM 876 C PRO A 60 -18.311 12.799 -26.142 1.00 55.31 C ATOM 877 O PRO A 60 -17.444 12.711 -25.270 1.00 1.50 O ATOM 878 CB PRO A 60 -19.642 10.759 -25.434 1.00 0.30 C ATOM 879 CG PRO A 60 -18.610 9.724 -25.202 1.00 12.31 C ATOM 880 CD PRO A 60 -18.086 9.371 -26.565 1.00 2.04 C ATOM 0 HA PRO A 60 -19.896 12.010 -27.220 1.00 24.33 H new ATOM 0 HB2 PRO A 60 -19.791 11.376 -24.548 1.00 0.30 H new ATOM 0 HB3 PRO A 60 -20.606 10.311 -25.676 1.00 0.30 H new ATOM 0 HG2 PRO A 60 -17.813 10.100 -24.560 1.00 12.31 H new ATOM 0 HG3 PRO A 60 -19.034 8.851 -24.706 1.00 12.31 H new ATOM 0 HD2 PRO A 60 -17.041 9.063 -26.528 1.00 2.04 H new ATOM 0 HD3 PRO A 60 -18.645 8.549 -27.011 1.00 2.04 H new ATOM 888 N ILE A 61 -18.612 13.944 -26.737 1.00 13.15 N ATOM 889 CA ILE A 61 -17.873 15.183 -26.474 1.00 73.21 C ATOM 890 C ILE A 61 -17.883 15.598 -24.995 1.00 12.44 C ATOM 891 O ILE A 61 -16.966 16.273 -24.533 1.00 30.41 O ATOM 892 CB ILE A 61 -18.384 16.331 -27.403 1.00 73.12 C ATOM 893 CG1 ILE A 61 -17.324 17.440 -27.508 1.00 20.43 C ATOM 894 CG2 ILE A 61 -19.759 16.877 -26.925 1.00 53.22 C ATOM 895 CD1 ILE A 61 -17.563 18.447 -28.626 1.00 55.00 C ATOM 0 H ILE A 61 -19.369 14.047 -27.412 1.00 13.15 H new ATOM 0 HA ILE A 61 -16.828 14.983 -26.710 1.00 73.21 H new ATOM 0 HB ILE A 61 -18.542 15.926 -28.403 1.00 73.12 H new ATOM 0 HG12 ILE A 61 -17.282 17.975 -26.559 1.00 20.43 H new ATOM 0 HG13 ILE A 61 -16.348 16.978 -27.657 1.00 20.43 H new ATOM 0 HG21 ILE A 61 -20.086 17.674 -27.593 1.00 53.22 H new ATOM 0 HG22 ILE A 61 -20.493 16.072 -26.934 1.00 53.22 H new ATOM 0 HG23 ILE A 61 -19.663 17.269 -25.912 1.00 53.22 H new ATOM 0 HD11 ILE A 61 -16.766 19.190 -28.623 1.00 55.00 H new ATOM 0 HD12 ILE A 61 -17.573 17.930 -29.585 1.00 55.00 H new ATOM 0 HD13 ILE A 61 -18.522 18.942 -28.471 1.00 55.00 H new ATOM 907 N ARG A 62 -18.865 15.133 -24.227 1.00 20.52 N ATOM 908 CA ARG A 62 -18.873 15.388 -22.781 1.00 71.05 C ATOM 909 C ARG A 62 -17.660 14.769 -22.125 1.00 10.23 C ATOM 910 O ARG A 62 -17.028 15.383 -21.286 1.00 34.45 O ATOM 911 CB ARG A 62 -20.123 14.796 -22.106 1.00 44.32 C ATOM 912 CG ARG A 62 -21.290 15.767 -21.915 1.00 73.41 C ATOM 913 CD ARG A 62 -20.945 17.004 -21.055 1.00 43.04 C ATOM 914 NE ARG A 62 -20.376 16.661 -19.740 1.00 14.14 N ATOM 915 CZ ARG A 62 -20.070 17.542 -18.792 1.00 40.22 C ATOM 916 NH1 ARG A 62 -20.276 18.826 -18.920 1.00 2.33 N ATOM 917 NH2 ARG A 62 -19.544 17.116 -17.697 1.00 55.04 N ATOM 0 H ARG A 62 -19.655 14.586 -24.570 1.00 20.52 H new ATOM 0 HA ARG A 62 -18.868 16.471 -22.655 1.00 71.05 H new ATOM 0 HB2 ARG A 62 -20.470 13.951 -22.700 1.00 44.32 H new ATOM 0 HB3 ARG A 62 -19.836 14.403 -21.130 1.00 44.32 H new ATOM 0 HG2 ARG A 62 -21.634 16.102 -22.893 1.00 73.41 H new ATOM 0 HG3 ARG A 62 -22.120 15.234 -21.450 1.00 73.41 H new ATOM 0 HD2 ARG A 62 -20.236 17.629 -21.598 1.00 43.04 H new ATOM 0 HD3 ARG A 62 -21.847 17.599 -20.909 1.00 43.04 H new ATOM 0 HE ARG A 62 -20.204 15.675 -19.542 1.00 14.14 H new ATOM 0 HH11 ARG A 62 -20.689 19.193 -19.777 1.00 2.33 H new ATOM 0 HH12 ARG A 62 -20.024 19.461 -18.163 1.00 2.33 H new ATOM 0 HH21 ARG A 62 -19.369 16.119 -17.569 1.00 55.04 H new ATOM 0 HH22 ARG A 62 -19.302 17.775 -16.957 1.00 55.04 H new ATOM 931 N GLN A 63 -17.326 13.554 -22.517 1.00 34.44 N ATOM 932 CA GLN A 63 -16.207 12.847 -21.910 1.00 22.53 C ATOM 933 C GLN A 63 -14.882 13.394 -22.450 1.00 64.51 C ATOM 934 O GLN A 63 -13.869 13.345 -21.773 1.00 73.03 O ATOM 935 CB GLN A 63 -16.337 11.341 -22.137 1.00 31.05 C ATOM 936 CG GLN A 63 -17.252 10.639 -21.112 1.00 64.42 C ATOM 937 CD GLN A 63 -18.697 11.093 -21.155 1.00 3.43 C ATOM 938 OE1 GLN A 63 -19.477 10.713 -22.033 1.00 3.21 O ATOM 939 NE2 GLN A 63 -19.064 11.897 -20.201 1.00 0.51 N ATOM 0 H GLN A 63 -17.810 13.035 -23.250 1.00 34.44 H new ATOM 0 HA GLN A 63 -16.220 13.014 -20.833 1.00 22.53 H new ATOM 0 HB2 GLN A 63 -16.727 11.165 -23.140 1.00 31.05 H new ATOM 0 HB3 GLN A 63 -15.346 10.889 -22.096 1.00 31.05 H new ATOM 0 HG2 GLN A 63 -17.216 9.564 -21.286 1.00 64.42 H new ATOM 0 HG3 GLN A 63 -16.858 10.813 -20.111 1.00 64.42 H new ATOM 0 HE21 GLN A 63 -18.390 12.189 -19.493 1.00 0.51 H new ATOM 0 HE22 GLN A 63 -20.025 12.235 -20.161 1.00 0.51 H new ATOM 948 N LEU A 64 -14.909 13.968 -23.648 1.00 43.31 N ATOM 949 CA LEU A 64 -13.724 14.650 -24.190 1.00 24.42 C ATOM 950 C LEU A 64 -13.370 15.880 -23.349 1.00 73.32 C ATOM 951 O LEU A 64 -12.214 16.097 -23.003 1.00 4.42 O ATOM 952 CB LEU A 64 -13.977 15.101 -25.620 1.00 33.22 C ATOM 953 CG LEU A 64 -12.776 15.673 -26.398 1.00 51.00 C ATOM 954 CD1 LEU A 64 -11.640 14.681 -26.510 1.00 34.22 C ATOM 955 CD2 LEU A 64 -13.219 16.054 -27.794 1.00 30.34 C ATOM 0 H LEU A 64 -15.724 13.979 -24.261 1.00 43.31 H new ATOM 0 HA LEU A 64 -12.897 13.940 -24.165 1.00 24.42 H new ATOM 0 HB2 LEU A 64 -14.368 14.251 -26.179 1.00 33.22 H new ATOM 0 HB3 LEU A 64 -14.761 15.859 -25.602 1.00 33.22 H new ATOM 0 HG LEU A 64 -12.416 16.542 -25.847 1.00 51.00 H new ATOM 0 HD11 LEU A 64 -10.818 15.131 -27.066 1.00 34.22 H new ATOM 0 HD12 LEU A 64 -11.296 14.407 -25.512 1.00 34.22 H new ATOM 0 HD13 LEU A 64 -11.986 13.789 -27.032 1.00 34.22 H new ATOM 0 HD21 LEU A 64 -12.371 16.459 -28.347 1.00 30.34 H new ATOM 0 HD22 LEU A 64 -13.600 15.172 -28.308 1.00 30.34 H new ATOM 0 HD23 LEU A 64 -14.006 16.806 -27.734 1.00 30.34 H new ATOM 967 N PHE A 65 -14.374 16.685 -23.033 1.00 74.03 N ATOM 968 CA PHE A 65 -14.162 17.901 -22.235 1.00 43.12 C ATOM 969 C PHE A 65 -13.938 17.552 -20.763 1.00 44.10 C ATOM 970 O PHE A 65 -13.327 18.315 -20.024 1.00 23.24 O ATOM 971 CB PHE A 65 -15.365 18.843 -22.358 1.00 31.03 C ATOM 972 CG PHE A 65 -15.575 19.425 -23.751 1.00 54.34 C ATOM 973 CD1 PHE A 65 -14.541 19.463 -24.727 1.00 33.54 C ATOM 974 CD2 PHE A 65 -16.828 19.974 -24.081 1.00 64.22 C ATOM 975 CE1 PHE A 65 -14.767 20.049 -25.998 1.00 22.50 C ATOM 976 CE2 PHE A 65 -17.058 20.559 -25.348 1.00 25.43 C ATOM 977 CZ PHE A 65 -16.026 20.600 -26.301 1.00 64.32 C ATOM 0 H PHE A 65 -15.342 16.526 -23.312 1.00 74.03 H new ATOM 0 HA PHE A 65 -13.274 18.402 -22.620 1.00 43.12 H new ATOM 0 HB2 PHE A 65 -16.265 18.302 -22.065 1.00 31.03 H new ATOM 0 HB3 PHE A 65 -15.242 19.663 -21.651 1.00 31.03 H new ATOM 0 HD1 PHE A 65 -13.574 19.041 -24.497 1.00 33.54 H new ATOM 0 HD2 PHE A 65 -17.627 19.948 -23.355 1.00 64.22 H new ATOM 0 HE1 PHE A 65 -13.975 20.072 -26.732 1.00 22.50 H new ATOM 0 HE2 PHE A 65 -18.027 20.974 -25.583 1.00 25.43 H new ATOM 0 HZ PHE A 65 -16.199 21.054 -27.265 1.00 64.32 H new ATOM 987 N SER A 66 -14.406 16.380 -20.360 1.00 75.40 N ATOM 988 CA SER A 66 -14.233 15.882 -18.990 1.00 40.25 C ATOM 989 C SER A 66 -12.753 15.685 -18.691 1.00 65.33 C ATOM 990 O SER A 66 -12.295 15.909 -17.562 1.00 5.02 O ATOM 991 CB SER A 66 -14.965 14.549 -18.828 1.00 0.23 C ATOM 992 OG SER A 66 -14.829 14.004 -17.537 1.00 73.30 O ATOM 0 H SER A 66 -14.918 15.742 -20.969 1.00 75.40 H new ATOM 0 HA SER A 66 -14.647 16.612 -18.294 1.00 40.25 H new ATOM 0 HB2 SER A 66 -16.023 14.692 -19.047 1.00 0.23 H new ATOM 0 HB3 SER A 66 -14.581 13.838 -19.560 1.00 0.23 H new ATOM 0 HG SER A 66 -15.316 13.155 -17.487 1.00 73.30 H new ATOM 998 N SER A 67 -11.996 15.284 -19.707 1.00 52.33 N ATOM 999 CA SER A 67 -10.549 15.127 -19.584 1.00 63.22 C ATOM 1000 C SER A 67 -9.921 15.184 -20.964 1.00 21.43 C ATOM 1001 O SER A 67 -9.928 14.187 -21.681 1.00 21.14 O ATOM 1002 CB SER A 67 -10.211 13.784 -18.939 1.00 64.13 C ATOM 1003 OG SER A 67 -10.544 13.785 -17.569 1.00 25.04 O ATOM 0 H SER A 67 -12.363 15.060 -20.632 1.00 52.33 H new ATOM 0 HA SER A 67 -10.160 15.930 -18.958 1.00 63.22 H new ATOM 0 HB2 SER A 67 -10.751 12.986 -19.448 1.00 64.13 H new ATOM 0 HB3 SER A 67 -9.148 13.576 -19.059 1.00 64.13 H new ATOM 0 HG SER A 67 -11.078 14.581 -17.363 1.00 25.04 H new ATOM 1009 N PRO A 68 -9.320 16.326 -21.347 1.00 75.03 N ATOM 1010 CA PRO A 68 -8.703 16.463 -22.685 1.00 34.34 C ATOM 1011 C PRO A 68 -7.343 15.765 -22.810 1.00 24.35 C ATOM 1012 O PRO A 68 -6.437 16.326 -23.390 1.00 14.52 O ATOM 1013 CB PRO A 68 -8.588 17.979 -22.843 1.00 65.55 C ATOM 1014 CG PRO A 68 -8.303 18.436 -21.470 1.00 24.40 C ATOM 1015 CD PRO A 68 -9.205 17.596 -20.595 1.00 21.24 C ATOM 0 HA PRO A 68 -9.294 15.982 -23.465 1.00 34.34 H new ATOM 0 HB2 PRO A 68 -7.790 18.253 -23.533 1.00 65.55 H new ATOM 0 HB3 PRO A 68 -9.509 18.415 -23.230 1.00 65.55 H new ATOM 0 HG2 PRO A 68 -7.254 18.290 -21.213 1.00 24.40 H new ATOM 0 HG3 PRO A 68 -8.515 19.499 -21.354 1.00 24.40 H new ATOM 0 HD2 PRO A 68 -8.775 17.440 -19.606 1.00 21.24 H new ATOM 0 HD3 PRO A 68 -10.177 18.067 -20.449 1.00 21.24 H new ATOM 1023 N THR A 69 -7.207 14.560 -22.280 1.00 2.53 N ATOM 1024 CA THR A 69 -5.968 13.790 -22.394 1.00 71.11 C ATOM 1025 C THR A 69 -6.372 12.456 -22.972 1.00 63.41 C ATOM 1026 O THR A 69 -7.505 12.031 -22.772 1.00 33.14 O ATOM 1027 CB THR A 69 -5.261 13.555 -21.035 1.00 65.03 C ATOM 1028 OG1 THR A 69 -6.159 12.933 -20.118 1.00 72.31 O ATOM 1029 CG2 THR A 69 -4.801 14.830 -20.423 1.00 10.10 C ATOM 0 H THR A 69 -7.945 14.086 -21.760 1.00 2.53 H new ATOM 0 HA THR A 69 -5.257 14.340 -23.011 1.00 71.11 H new ATOM 0 HB THR A 69 -4.398 12.919 -21.232 1.00 65.03 H new ATOM 0 HG1 THR A 69 -5.704 12.787 -19.263 1.00 72.31 H new ATOM 0 HG21 THR A 69 -4.311 14.621 -19.472 1.00 10.10 H new ATOM 0 HG22 THR A 69 -4.097 15.322 -21.094 1.00 10.10 H new ATOM 0 HG23 THR A 69 -5.658 15.482 -20.254 1.00 10.10 H new ATOM 1037 N PRO A 70 -5.483 11.776 -23.712 1.00 72.22 N ATOM 1038 CA PRO A 70 -6.015 10.568 -24.349 1.00 44.25 C ATOM 1039 C PRO A 70 -6.412 9.450 -23.371 1.00 20.34 C ATOM 1040 O PRO A 70 -7.420 8.776 -23.588 1.00 4.44 O ATOM 1041 CB PRO A 70 -4.873 10.173 -25.297 1.00 54.03 C ATOM 1042 CG PRO A 70 -3.694 10.666 -24.674 1.00 50.03 C ATOM 1043 CD PRO A 70 -4.082 12.001 -24.106 1.00 42.54 C ATOM 0 HA PRO A 70 -6.963 10.747 -24.856 1.00 44.25 H new ATOM 0 HB2 PRO A 70 -4.827 9.092 -25.431 1.00 54.03 H new ATOM 0 HB3 PRO A 70 -5.010 10.611 -26.285 1.00 54.03 H new ATOM 0 HG2 PRO A 70 -3.349 9.990 -23.892 1.00 50.03 H new ATOM 0 HG3 PRO A 70 -2.880 10.764 -25.392 1.00 50.03 H new ATOM 0 HD2 PRO A 70 -3.459 12.278 -23.255 1.00 42.54 H new ATOM 0 HD3 PRO A 70 -3.989 12.799 -24.842 1.00 42.54 H new ATOM 1051 N ALA A 71 -5.701 9.302 -22.255 1.00 4.31 N ATOM 1052 CA ALA A 71 -6.098 8.314 -21.246 1.00 45.13 C ATOM 1053 C ALA A 71 -7.300 8.826 -20.456 1.00 52.34 C ATOM 1054 O ALA A 71 -8.133 8.063 -19.974 1.00 30.40 O ATOM 1055 CB ALA A 71 -4.940 8.006 -20.308 1.00 71.34 C ATOM 0 H ALA A 71 -4.865 9.839 -22.026 1.00 4.31 H new ATOM 0 HA ALA A 71 -6.377 7.392 -21.756 1.00 45.13 H new ATOM 0 HB1 ALA A 71 -5.257 7.271 -19.568 1.00 71.34 H new ATOM 0 HB2 ALA A 71 -4.104 7.606 -20.881 1.00 71.34 H new ATOM 0 HB3 ALA A 71 -4.629 8.920 -19.802 1.00 71.34 H new ATOM 1061 N GLY A 72 -7.375 10.142 -20.323 1.00 63.51 N ATOM 1062 CA GLY A 72 -8.466 10.759 -19.598 1.00 71.23 C ATOM 1063 C GLY A 72 -9.780 10.503 -20.292 1.00 10.20 C ATOM 1064 O GLY A 72 -10.752 10.117 -19.669 1.00 15.43 O ATOM 0 H GLY A 72 -6.694 10.797 -20.707 1.00 63.51 H new ATOM 0 HA2 GLY A 72 -8.503 10.365 -18.582 1.00 71.23 H new ATOM 0 HA3 GLY A 72 -8.295 11.832 -19.518 1.00 71.23 H new ATOM 1068 N VAL A 73 -9.782 10.643 -21.606 1.00 71.11 N ATOM 1069 CA VAL A 73 -10.966 10.354 -22.410 1.00 21.13 C ATOM 1070 C VAL A 73 -11.353 8.899 -22.259 1.00 41.43 C ATOM 1071 O VAL A 73 -12.530 8.589 -21.897 1.00 12.31 O ATOM 1072 CB VAL A 73 -10.685 10.670 -23.924 1.00 23.32 C ATOM 1073 CG1 VAL A 73 -11.822 10.202 -24.795 1.00 0.15 C ATOM 1074 CG2 VAL A 73 -10.499 12.170 -24.131 1.00 55.24 C ATOM 0 H VAL A 73 -8.975 10.956 -22.145 1.00 71.11 H new ATOM 0 HA VAL A 73 -11.785 10.982 -22.061 1.00 21.13 H new ATOM 0 HB VAL A 73 -9.774 10.141 -24.204 1.00 23.32 H new ATOM 0 HG11 VAL A 73 -11.601 10.433 -25.837 1.00 0.15 H new ATOM 0 HG12 VAL A 73 -11.948 9.125 -24.681 1.00 0.15 H new ATOM 0 HG13 VAL A 73 -12.740 10.708 -24.498 1.00 0.15 H new ATOM 0 HG21 VAL A 73 -10.305 12.371 -25.185 1.00 55.24 H new ATOM 0 HG22 VAL A 73 -11.403 12.695 -23.822 1.00 55.24 H new ATOM 0 HG23 VAL A 73 -9.656 12.518 -23.535 1.00 55.24 H new ATOM 1084 N ALA A 74 -10.402 7.971 -22.375 1.00 62.54 N ATOM 1085 CA ALA A 74 -10.617 6.531 -22.200 1.00 3.43 C ATOM 1086 C ALA A 74 -11.236 6.179 -20.833 1.00 11.20 C ATOM 1087 O ALA A 74 -12.224 5.467 -20.762 1.00 75.42 O ATOM 1088 CB ALA A 74 -9.307 5.788 -22.391 1.00 73.44 C ATOM 0 H ALA A 74 -9.435 8.205 -22.599 1.00 62.54 H new ATOM 0 HA ALA A 74 -11.335 6.219 -22.958 1.00 3.43 H new ATOM 0 HB1 ALA A 74 -9.473 4.719 -22.260 1.00 73.44 H new ATOM 0 HB2 ALA A 74 -8.925 5.976 -23.395 1.00 73.44 H new ATOM 0 HB3 ALA A 74 -8.581 6.135 -21.656 1.00 73.44 H new ATOM 1094 N ARG A 75 -10.691 6.669 -19.729 1.00 32.53 N ATOM 1095 CA ARG A 75 -11.240 6.304 -18.406 1.00 13.41 C ATOM 1096 C ARG A 75 -12.637 6.897 -18.238 1.00 73.45 C ATOM 1097 O ARG A 75 -13.465 6.319 -17.523 1.00 1.14 O ATOM 1098 CB ARG A 75 -10.313 6.748 -17.259 1.00 32.14 C ATOM 1099 CG ARG A 75 -10.158 8.231 -17.059 1.00 31.45 C ATOM 1100 CD ARG A 75 -9.338 8.535 -15.848 1.00 44.21 C ATOM 1101 NE ARG A 75 -9.140 9.995 -15.743 1.00 50.11 N ATOM 1102 CZ ARG A 75 -8.022 10.660 -16.015 1.00 43.32 C ATOM 1103 NH1 ARG A 75 -6.905 10.060 -16.358 1.00 24.42 N ATOM 1104 NH2 ARG A 75 -8.042 11.957 -15.952 1.00 2.45 N ATOM 0 H ARG A 75 -9.892 7.303 -19.707 1.00 32.53 H new ATOM 0 HA ARG A 75 -11.309 5.217 -18.359 1.00 13.41 H new ATOM 0 HB2 ARG A 75 -10.687 6.316 -16.331 1.00 32.14 H new ATOM 0 HB3 ARG A 75 -9.325 6.322 -17.434 1.00 32.14 H new ATOM 0 HG2 ARG A 75 -9.688 8.671 -17.938 1.00 31.45 H new ATOM 0 HG3 ARG A 75 -11.141 8.691 -16.959 1.00 31.45 H new ATOM 0 HD2 ARG A 75 -9.836 8.159 -14.954 1.00 44.21 H new ATOM 0 HD3 ARG A 75 -8.374 8.030 -15.912 1.00 44.21 H new ATOM 0 HE ARG A 75 -9.939 10.547 -15.431 1.00 50.11 H new ATOM 0 HH11 ARG A 75 -6.872 9.043 -16.424 1.00 24.42 H new ATOM 0 HH12 ARG A 75 -6.071 10.611 -16.558 1.00 24.42 H new ATOM 0 HH21 ARG A 75 -8.903 12.442 -15.698 1.00 2.45 H new ATOM 0 HH22 ARG A 75 -7.197 12.491 -16.156 1.00 2.45 H new ATOM 1118 N ALA A 76 -12.878 8.072 -18.802 1.00 4.44 N ATOM 1119 CA ALA A 76 -14.155 8.715 -18.629 1.00 2.41 C ATOM 1120 C ALA A 76 -15.258 8.008 -19.375 1.00 13.23 C ATOM 1121 O ALA A 76 -16.363 7.828 -18.867 1.00 5.04 O ATOM 1122 CB ALA A 76 -14.038 10.200 -19.081 1.00 1.33 C ATOM 0 H ALA A 76 -12.210 8.587 -19.375 1.00 4.44 H new ATOM 0 HA ALA A 76 -14.423 8.670 -17.574 1.00 2.41 H new ATOM 0 HB1 ALA A 76 -15.000 10.696 -18.954 1.00 1.33 H new ATOM 0 HB2 ALA A 76 -13.286 10.706 -18.476 1.00 1.33 H new ATOM 0 HB3 ALA A 76 -13.746 10.239 -20.130 1.00 1.33 H new ATOM 1128 N LEU A 77 -14.961 7.593 -20.590 1.00 73.15 N ATOM 1129 CA LEU A 77 -15.951 6.901 -21.411 1.00 51.10 C ATOM 1130 C LEU A 77 -16.113 5.453 -20.995 1.00 71.31 C ATOM 1131 O LEU A 77 -17.141 4.852 -21.273 1.00 32.25 O ATOM 1132 CB LEU A 77 -15.614 7.045 -22.907 1.00 24.43 C ATOM 1133 CG LEU A 77 -14.294 6.348 -23.370 1.00 4.11 C ATOM 1134 CD1 LEU A 77 -14.482 4.877 -23.736 1.00 33.12 C ATOM 1135 CD2 LEU A 77 -13.747 7.009 -24.567 1.00 54.41 C ATOM 0 H LEU A 77 -14.051 7.718 -21.034 1.00 73.15 H new ATOM 0 HA LEU A 77 -16.918 7.376 -21.246 1.00 51.10 H new ATOM 0 HB2 LEU A 77 -16.442 6.639 -23.489 1.00 24.43 H new ATOM 0 HB3 LEU A 77 -15.547 8.106 -23.146 1.00 24.43 H new ATOM 0 HG LEU A 77 -13.621 6.425 -22.516 1.00 4.11 H new ATOM 0 HD11 LEU A 77 -13.527 4.455 -24.048 1.00 33.12 H new ATOM 0 HD12 LEU A 77 -14.854 4.331 -22.869 1.00 33.12 H new ATOM 0 HD13 LEU A 77 -15.200 4.794 -24.552 1.00 33.12 H new ATOM 0 HD21 LEU A 77 -12.828 6.508 -24.872 1.00 54.41 H new ATOM 0 HD22 LEU A 77 -14.475 6.956 -25.376 1.00 54.41 H new ATOM 0 HD23 LEU A 77 -13.532 8.053 -24.340 1.00 54.41 H new