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 22:sc= 0.375 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 CYS SG : rot 82:sc= 0.226 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HD1:sc= -0.202 X(o=-0.2,f=-0.29) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0.0383 USER MOD Single : A 45 MET CE :methyl 174:sc= 0 (180deg=-0.0264) USER MOD Single : A 63 GLN : amide:sc= -0.0536 X(o=-0.054,f=-0.04) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc=-0.00885 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.0228 USER MOD ----------------------------------------------------------------- ATOM 127 N THR A 11 -7.020 0.379 -27.340 1.00 12.02 N ATOM 128 CA THR A 11 -7.677 1.677 -27.427 1.00 34.23 C ATOM 129 C THR A 11 -6.662 2.814 -27.502 1.00 71.23 C ATOM 130 O THR A 11 -6.834 3.745 -28.277 1.00 23.12 O ATOM 131 CB THR A 11 -8.580 1.862 -26.183 1.00 53.20 C ATOM 132 OG1 THR A 11 -9.316 0.657 -25.975 1.00 14.41 O ATOM 133 CG2 THR A 11 -9.568 3.002 -26.343 1.00 24.24 C ATOM 0 HA THR A 11 -8.274 1.706 -28.339 1.00 34.23 H new ATOM 0 HB THR A 11 -7.933 2.097 -25.338 1.00 53.20 H new ATOM 0 HG1 THR A 11 -8.853 -0.088 -26.412 1.00 14.41 H new ATOM 0 HG21 THR A 11 -10.175 3.086 -25.442 1.00 24.24 H new ATOM 0 HG22 THR A 11 -9.026 3.934 -26.504 1.00 24.24 H new ATOM 0 HG23 THR A 11 -10.214 2.806 -27.199 1.00 24.24 H new ATOM 141 N GLU A 12 -5.583 2.719 -26.732 1.00 71.44 N ATOM 142 CA GLU A 12 -4.571 3.771 -26.672 1.00 43.03 C ATOM 143 C GLU A 12 -3.917 4.012 -28.023 1.00 41.32 C ATOM 144 O GLU A 12 -3.696 5.154 -28.409 1.00 4.54 O ATOM 145 CB GLU A 12 -3.488 3.434 -25.662 1.00 23.42 C ATOM 146 CG GLU A 12 -3.981 3.531 -24.224 1.00 64.40 C ATOM 147 CD GLU A 12 -2.962 3.009 -23.230 1.00 21.32 C ATOM 148 OE1 GLU A 12 -2.640 1.802 -23.293 1.00 72.23 O ATOM 149 OE2 GLU A 12 -2.508 3.794 -22.365 1.00 50.52 O ATOM 0 H GLU A 12 -5.385 1.916 -26.135 1.00 71.44 H new ATOM 0 HA GLU A 12 -5.093 4.678 -26.366 1.00 43.03 H new ATOM 0 HB2 GLU A 12 -3.122 2.425 -25.850 1.00 23.42 H new ATOM 0 HB3 GLU A 12 -2.644 4.110 -25.800 1.00 23.42 H new ATOM 0 HG2 GLU A 12 -4.213 4.570 -23.991 1.00 64.40 H new ATOM 0 HG3 GLU A 12 -4.908 2.967 -24.121 1.00 64.40 H new ATOM 156 N LYS A 13 -3.626 2.962 -28.776 1.00 22.33 N ATOM 157 CA LYS A 13 -2.934 3.150 -30.059 1.00 3.12 C ATOM 158 C LYS A 13 -3.836 3.883 -31.036 1.00 73.13 C ATOM 159 O LYS A 13 -3.350 4.629 -31.891 1.00 15.02 O ATOM 160 CB LYS A 13 -2.421 1.799 -30.635 1.00 5.50 C ATOM 161 CG LYS A 13 -3.408 0.979 -31.495 1.00 2.13 C ATOM 162 CD LYS A 13 -3.308 1.331 -32.993 1.00 64.51 C ATOM 163 CE LYS A 13 -4.439 0.684 -33.788 1.00 74.42 C ATOM 164 NZ LYS A 13 -4.525 1.263 -35.182 1.00 62.21 N ATOM 0 H LYS A 13 -3.847 1.995 -28.538 1.00 22.33 H new ATOM 0 HA LYS A 13 -2.051 3.767 -29.890 1.00 3.12 H new ATOM 0 HB2 LYS A 13 -1.536 2.003 -31.238 1.00 5.50 H new ATOM 0 HB3 LYS A 13 -2.101 1.175 -29.800 1.00 5.50 H new ATOM 0 HG2 LYS A 13 -3.209 -0.084 -31.359 1.00 2.13 H new ATOM 0 HG3 LYS A 13 -4.426 1.159 -31.148 1.00 2.13 H new ATOM 0 HD2 LYS A 13 -3.344 2.413 -33.118 1.00 64.51 H new ATOM 0 HD3 LYS A 13 -2.347 0.997 -33.385 1.00 64.51 H new ATOM 0 HE2 LYS A 13 -4.277 -0.392 -33.847 1.00 74.42 H new ATOM 0 HE3 LYS A 13 -5.385 0.835 -33.269 1.00 74.42 H new ATOM 0 HZ1 LYS A 13 -5.302 0.806 -35.701 1.00 62.21 H new ATOM 0 HZ2 LYS A 13 -4.703 2.286 -35.123 1.00 62.21 H new ATOM 0 HZ3 LYS A 13 -3.629 1.096 -35.683 1.00 62.21 H new ATOM 178 N VAL A 14 -5.143 3.671 -30.922 1.00 73.41 N ATOM 179 CA VAL A 14 -6.090 4.299 -31.828 1.00 61.35 C ATOM 180 C VAL A 14 -6.123 5.786 -31.572 1.00 51.44 C ATOM 181 O VAL A 14 -5.948 6.585 -32.482 1.00 42.32 O ATOM 182 CB VAL A 14 -7.532 3.714 -31.662 1.00 64.11 C ATOM 183 CG1 VAL A 14 -8.513 4.434 -32.587 1.00 11.22 C ATOM 184 CG2 VAL A 14 -7.547 2.210 -31.961 1.00 51.33 C ATOM 0 H VAL A 14 -5.566 3.071 -30.214 1.00 73.41 H new ATOM 0 HA VAL A 14 -5.760 4.096 -32.847 1.00 61.35 H new ATOM 0 HB VAL A 14 -7.840 3.869 -30.628 1.00 64.11 H new ATOM 0 HG11 VAL A 14 -9.510 4.014 -32.458 1.00 11.22 H new ATOM 0 HG12 VAL A 14 -8.532 5.496 -32.342 1.00 11.22 H new ATOM 0 HG13 VAL A 14 -8.197 4.307 -33.622 1.00 11.22 H new ATOM 0 HG21 VAL A 14 -8.559 1.825 -31.839 1.00 51.33 H new ATOM 0 HG22 VAL A 14 -7.214 2.039 -32.985 1.00 51.33 H new ATOM 0 HG23 VAL A 14 -6.878 1.695 -31.272 1.00 51.33 H new ATOM 194 N LEU A 15 -6.315 6.167 -30.320 1.00 0.25 N ATOM 195 CA LEU A 15 -6.415 7.577 -29.974 1.00 23.31 C ATOM 196 C LEU A 15 -5.093 8.309 -30.089 1.00 5.35 C ATOM 197 O LEU A 15 -5.069 9.471 -30.461 1.00 3.14 O ATOM 198 CB LEU A 15 -7.022 7.747 -28.568 1.00 73.05 C ATOM 199 CG LEU A 15 -6.458 6.861 -27.450 1.00 1.43 C ATOM 200 CD1 LEU A 15 -5.430 7.564 -26.653 1.00 22.21 C ATOM 201 CD2 LEU A 15 -7.582 6.401 -26.552 1.00 2.53 C ATOM 0 H LEU A 15 -6.404 5.526 -29.531 1.00 0.25 H new ATOM 0 HA LEU A 15 -7.082 8.035 -30.704 1.00 23.31 H new ATOM 0 HB2 LEU A 15 -6.897 8.788 -28.270 1.00 73.05 H new ATOM 0 HB3 LEU A 15 -8.094 7.562 -28.638 1.00 73.05 H new ATOM 0 HG LEU A 15 -5.979 6.000 -27.916 1.00 1.43 H new ATOM 0 HD11 LEU A 15 -5.058 6.900 -25.873 1.00 22.21 H new ATOM 0 HD12 LEU A 15 -4.606 7.859 -27.302 1.00 22.21 H new ATOM 0 HD13 LEU A 15 -5.868 8.451 -26.196 1.00 22.21 H new ATOM 0 HD21 LEU A 15 -7.179 5.772 -25.758 1.00 2.53 H new ATOM 0 HD22 LEU A 15 -8.075 7.268 -26.113 1.00 2.53 H new ATOM 0 HD23 LEU A 15 -8.304 5.831 -27.136 1.00 2.53 H new ATOM 213 N CYS A 16 -3.985 7.619 -29.857 1.00 22.25 N ATOM 214 CA CYS A 16 -2.672 8.210 -30.074 1.00 31.22 C ATOM 215 C CYS A 16 -2.470 8.558 -31.541 1.00 54.14 C ATOM 216 O CYS A 16 -2.022 9.640 -31.856 1.00 54.34 O ATOM 217 CB CYS A 16 -1.576 7.236 -29.640 1.00 54.34 C ATOM 218 SG CYS A 16 -1.397 7.065 -27.847 1.00 54.14 S ATOM 0 H CYS A 16 -3.968 6.656 -29.521 1.00 22.25 H new ATOM 0 HA CYS A 16 -2.614 9.121 -29.479 1.00 31.22 H new ATOM 0 HB2 CYS A 16 -1.788 6.256 -30.067 1.00 54.34 H new ATOM 0 HB3 CYS A 16 -0.626 7.567 -30.058 1.00 54.34 H new ATOM 0 HG CYS A 16 -2.290 6.233 -27.399 1.00 54.14 H new ATOM 224 N ALA A 17 -2.806 7.650 -32.442 1.00 73.34 N ATOM 225 CA ALA A 17 -2.654 7.942 -33.868 1.00 73.33 C ATOM 226 C ALA A 17 -3.628 9.072 -34.259 1.00 32.42 C ATOM 227 O ALA A 17 -3.312 9.929 -35.048 1.00 53.00 O ATOM 228 CB ALA A 17 -2.923 6.679 -34.697 1.00 22.03 C ATOM 0 H ALA A 17 -3.177 6.725 -32.226 1.00 73.34 H new ATOM 0 HA ALA A 17 -1.633 8.267 -34.070 1.00 73.33 H new ATOM 0 HB1 ALA A 17 -2.807 6.908 -35.756 1.00 22.03 H new ATOM 0 HB2 ALA A 17 -2.215 5.900 -34.414 1.00 22.03 H new ATOM 0 HB3 ALA A 17 -3.939 6.331 -34.510 1.00 22.03 H new ATOM 234 N LEU A 18 -4.796 9.078 -33.637 1.00 51.42 N ATOM 235 CA LEU A 18 -5.786 10.118 -33.906 1.00 21.25 C ATOM 236 C LEU A 18 -5.281 11.502 -33.452 1.00 32.34 C ATOM 237 O LEU A 18 -5.540 12.487 -34.132 1.00 32.43 O ATOM 238 CB LEU A 18 -7.084 9.772 -33.205 1.00 0.34 C ATOM 239 CG LEU A 18 -8.242 9.336 -34.108 1.00 70.11 C ATOM 240 CD1 LEU A 18 -7.814 8.204 -35.074 1.00 55.35 C ATOM 241 CD2 LEU A 18 -9.423 8.906 -33.199 1.00 10.13 C ATOM 0 H LEU A 18 -5.084 8.383 -32.948 1.00 51.42 H new ATOM 0 HA LEU A 18 -5.956 10.167 -34.982 1.00 21.25 H new ATOM 0 HB2 LEU A 18 -6.886 8.973 -32.491 1.00 0.34 H new ATOM 0 HB3 LEU A 18 -7.405 10.640 -32.630 1.00 0.34 H new ATOM 0 HG LEU A 18 -8.553 10.167 -34.741 1.00 70.11 H new ATOM 0 HD11 LEU A 18 -8.660 7.920 -35.699 1.00 55.35 H new ATOM 0 HD12 LEU A 18 -6.998 8.554 -35.706 1.00 55.35 H new ATOM 0 HD13 LEU A 18 -7.482 7.340 -34.498 1.00 55.35 H new ATOM 0 HD21 LEU A 18 -10.263 8.590 -33.818 1.00 10.13 H new ATOM 0 HD22 LEU A 18 -9.110 8.078 -32.563 1.00 10.13 H new ATOM 0 HD23 LEU A 18 -9.728 9.747 -32.576 1.00 10.13 H new ATOM 253 N TYR A 19 -4.497 11.574 -32.369 1.00 22.00 N ATOM 254 CA TYR A 19 -3.893 12.824 -31.940 1.00 15.31 C ATOM 255 C TYR A 19 -3.043 13.334 -33.119 1.00 71.34 C ATOM 256 O TYR A 19 -3.130 14.502 -33.502 1.00 2.03 O ATOM 257 CB TYR A 19 -2.978 12.632 -30.729 1.00 61.22 C ATOM 258 CG TYR A 19 -3.588 12.892 -29.360 1.00 54.51 C ATOM 259 CD1 TYR A 19 -4.815 12.301 -28.962 1.00 44.11 C ATOM 260 CD2 TYR A 19 -2.894 13.685 -28.409 1.00 53.45 C ATOM 261 CE1 TYR A 19 -5.337 12.525 -27.644 1.00 1.40 C ATOM 262 CE2 TYR A 19 -3.418 13.897 -27.115 1.00 42.01 C ATOM 263 CZ TYR A 19 -4.641 13.315 -26.753 1.00 55.44 C ATOM 264 OH TYR A 19 -5.118 13.480 -25.470 1.00 63.45 O ATOM 0 H TYR A 19 -4.271 10.774 -31.778 1.00 22.00 H new ATOM 0 HA TYR A 19 -4.678 13.524 -31.652 1.00 15.31 H new ATOM 0 HB2 TYR A 19 -2.604 11.608 -30.745 1.00 61.22 H new ATOM 0 HB3 TYR A 19 -2.116 13.289 -30.847 1.00 61.22 H new ATOM 0 HD1 TYR A 19 -5.360 11.678 -29.656 1.00 44.11 H new ATOM 0 HD2 TYR A 19 -1.950 14.134 -28.680 1.00 53.45 H new ATOM 0 HE1 TYR A 19 -6.274 12.075 -27.350 1.00 1.40 H new ATOM 0 HE2 TYR A 19 -2.878 14.506 -26.406 1.00 42.01 H new ATOM 0 HH TYR A 19 -4.512 14.064 -24.968 1.00 63.45 H new ATOM 274 N ALA A 20 -2.223 12.456 -33.696 1.00 0.14 N ATOM 275 CA ALA A 20 -1.300 12.880 -34.725 1.00 4.31 C ATOM 276 C ALA A 20 -2.002 13.481 -35.949 1.00 25.55 C ATOM 277 O ALA A 20 -1.546 14.487 -36.505 1.00 21.52 O ATOM 278 CB ALA A 20 -0.461 11.645 -35.214 1.00 4.11 C ATOM 0 H ALA A 20 -2.185 11.463 -33.467 1.00 0.14 H new ATOM 0 HA ALA A 20 -0.670 13.650 -34.280 1.00 4.31 H new ATOM 0 HB1 ALA A 20 0.236 11.963 -35.990 1.00 4.11 H new ATOM 0 HB2 ALA A 20 0.096 11.228 -34.375 1.00 4.11 H new ATOM 0 HB3 ALA A 20 -1.132 10.886 -35.617 1.00 4.11 H new ATOM 284 N GLU A 21 -3.117 12.901 -36.330 1.00 73.52 N ATOM 285 CA GLU A 21 -3.873 13.347 -37.523 1.00 3.04 C ATOM 286 C GLU A 21 -4.535 14.697 -37.269 1.00 21.45 C ATOM 287 O GLU A 21 -4.702 15.513 -38.178 1.00 43.15 O ATOM 288 CB GLU A 21 -4.966 12.315 -37.885 1.00 1.11 C ATOM 289 CG GLU A 21 -4.421 10.953 -38.310 1.00 72.14 C ATOM 290 CD GLU A 21 -3.571 11.021 -39.567 1.00 21.44 C ATOM 291 OE1 GLU A 21 -4.043 11.581 -40.582 1.00 43.23 O ATOM 292 OE2 GLU A 21 -2.444 10.486 -39.552 1.00 63.30 O ATOM 0 H GLU A 21 -3.539 12.112 -35.840 1.00 73.52 H new ATOM 0 HA GLU A 21 -3.167 13.440 -38.349 1.00 3.04 H new ATOM 0 HB2 GLU A 21 -5.622 12.180 -37.025 1.00 1.11 H new ATOM 0 HB3 GLU A 21 -5.578 12.718 -38.692 1.00 1.11 H new ATOM 0 HG2 GLU A 21 -3.826 10.536 -37.498 1.00 72.14 H new ATOM 0 HG3 GLU A 21 -5.254 10.270 -38.478 1.00 72.14 H new ATOM 299 N ILE A 22 -4.946 14.890 -36.038 1.00 14.33 N ATOM 300 CA ILE A 22 -5.674 16.057 -35.644 1.00 71.32 C ATOM 301 C ILE A 22 -4.782 17.251 -35.335 1.00 1.04 C ATOM 302 O ILE A 22 -5.112 18.380 -35.650 1.00 54.35 O ATOM 303 CB ILE A 22 -6.516 15.678 -34.390 1.00 4.12 C ATOM 304 CG1 ILE A 22 -7.611 14.690 -34.800 1.00 15.42 C ATOM 305 CG2 ILE A 22 -7.166 16.964 -33.703 1.00 0.44 C ATOM 306 CD1 ILE A 22 -8.767 15.246 -35.586 1.00 52.31 C ATOM 0 H ILE A 22 -4.779 14.230 -35.279 1.00 14.33 H new ATOM 0 HA ILE A 22 -6.304 16.369 -36.477 1.00 71.32 H new ATOM 0 HB ILE A 22 -5.853 15.218 -33.657 1.00 4.12 H new ATOM 0 HG12 ILE A 22 -7.150 13.897 -35.389 1.00 15.42 H new ATOM 0 HG13 ILE A 22 -8.006 14.227 -33.896 1.00 15.42 H new ATOM 0 HG21 ILE A 22 -7.745 16.658 -32.832 1.00 0.44 H new ATOM 0 HG22 ILE A 22 -6.377 17.648 -33.391 1.00 0.44 H new ATOM 0 HG23 ILE A 22 -7.820 17.466 -34.416 1.00 0.44 H new ATOM 0 HD11 ILE A 22 -9.471 14.446 -35.813 1.00 52.31 H new ATOM 0 HD12 ILE A 22 -9.269 16.015 -35.000 1.00 52.31 H new ATOM 0 HD13 ILE A 22 -8.399 15.681 -36.516 1.00 52.31 H new ATOM 318 N LEU A 23 -3.644 16.972 -34.729 1.00 42.43 N ATOM 319 CA LEU A 23 -2.685 17.986 -34.295 1.00 3.21 C ATOM 320 C LEU A 23 -1.634 18.298 -35.370 1.00 31.02 C ATOM 321 O LEU A 23 -1.026 19.355 -35.347 1.00 20.05 O ATOM 322 CB LEU A 23 -1.999 17.539 -33.018 1.00 20.53 C ATOM 323 CG LEU A 23 -2.950 17.394 -31.823 1.00 62.52 C ATOM 324 CD1 LEU A 23 -2.421 16.383 -30.847 1.00 32.23 C ATOM 325 CD2 LEU A 23 -3.114 18.726 -31.111 1.00 23.32 C ATOM 0 H LEU A 23 -3.349 16.019 -34.518 1.00 42.43 H new ATOM 0 HA LEU A 23 -3.246 18.903 -34.114 1.00 3.21 H new ATOM 0 HB2 LEU A 23 -1.506 16.583 -33.197 1.00 20.53 H new ATOM 0 HB3 LEU A 23 -1.219 18.257 -32.765 1.00 20.53 H new ATOM 0 HG LEU A 23 -3.916 17.061 -32.203 1.00 62.52 H new ATOM 0 HD11 LEU A 23 -3.109 16.294 -30.006 1.00 32.23 H new ATOM 0 HD12 LEU A 23 -2.325 15.416 -31.341 1.00 32.23 H new ATOM 0 HD13 LEU A 23 -1.445 16.704 -30.484 1.00 32.23 H new ATOM 0 HD21 LEU A 23 -3.792 18.606 -30.266 1.00 23.32 H new ATOM 0 HD22 LEU A 23 -2.143 19.069 -30.752 1.00 23.32 H new ATOM 0 HD23 LEU A 23 -3.525 19.461 -31.804 1.00 23.32 H new ATOM 337 N GLY A 24 -1.410 17.363 -36.285 1.00 24.43 N ATOM 338 CA GLY A 24 -0.423 17.573 -37.335 1.00 74.40 C ATOM 339 C GLY A 24 0.996 17.341 -36.855 1.00 41.34 C ATOM 340 O GLY A 24 1.923 18.010 -37.306 1.00 33.21 O ATOM 0 H GLY A 24 -1.891 16.464 -36.322 1.00 24.43 H new ATOM 0 HA2 GLY A 24 -0.635 16.902 -38.168 1.00 74.40 H new ATOM 0 HA3 GLY A 24 -0.513 18.591 -37.715 1.00 74.40 H new ATOM 344 N VAL A 25 1.172 16.410 -35.926 1.00 4.33 N ATOM 345 CA VAL A 25 2.494 16.129 -35.348 1.00 61.34 C ATOM 346 C VAL A 25 3.019 14.762 -35.805 1.00 74.42 C ATOM 347 O VAL A 25 2.256 13.873 -36.164 1.00 63.41 O ATOM 348 CB VAL A 25 2.475 16.215 -33.786 1.00 22.42 C ATOM 349 CG1 VAL A 25 2.112 17.646 -33.337 1.00 3.01 C ATOM 350 CG2 VAL A 25 1.480 15.214 -33.178 1.00 12.21 C ATOM 0 H VAL A 25 0.419 15.832 -35.552 1.00 4.33 H new ATOM 0 HA VAL A 25 3.173 16.899 -35.715 1.00 61.34 H new ATOM 0 HB VAL A 25 3.473 15.962 -33.429 1.00 22.42 H new ATOM 0 HG11 VAL A 25 2.102 17.694 -32.248 1.00 3.01 H new ATOM 0 HG12 VAL A 25 2.851 18.347 -33.724 1.00 3.01 H new ATOM 0 HG13 VAL A 25 1.126 17.909 -33.721 1.00 3.01 H new ATOM 0 HG21 VAL A 25 1.494 15.302 -32.092 1.00 12.21 H new ATOM 0 HG22 VAL A 25 0.477 15.428 -33.547 1.00 12.21 H new ATOM 0 HG23 VAL A 25 1.763 14.201 -33.464 1.00 12.21 H new ATOM 360 N GLU A 26 4.338 14.629 -35.835 1.00 71.24 N ATOM 361 CA GLU A 26 4.998 13.426 -36.373 1.00 3.11 C ATOM 362 C GLU A 26 4.814 12.140 -35.556 1.00 52.01 C ATOM 363 O GLU A 26 4.708 11.046 -36.119 1.00 33.44 O ATOM 364 CB GLU A 26 6.502 13.690 -36.526 1.00 73.24 C ATOM 365 CG GLU A 26 7.173 14.353 -35.307 1.00 4.54 C ATOM 366 CD GLU A 26 8.694 14.306 -35.392 1.00 3.31 C ATOM 367 OE1 GLU A 26 9.267 14.846 -36.359 1.00 4.35 O ATOM 368 OE2 GLU A 26 9.315 13.667 -34.507 1.00 2.43 O ATOM 0 H GLU A 26 4.984 15.340 -35.493 1.00 71.24 H new ATOM 0 HA GLU A 26 4.504 13.246 -37.328 1.00 3.11 H new ATOM 0 HB2 GLU A 26 7.003 12.743 -36.728 1.00 73.24 H new ATOM 0 HB3 GLU A 26 6.657 14.325 -37.398 1.00 73.24 H new ATOM 0 HG2 GLU A 26 6.847 15.390 -35.234 1.00 4.54 H new ATOM 0 HG3 GLU A 26 6.846 13.851 -34.396 1.00 4.54 H new ATOM 375 N ARG A 27 4.830 12.273 -34.234 1.00 23.44 N ATOM 376 CA ARG A 27 4.697 11.138 -33.320 1.00 12.02 C ATOM 377 C ARG A 27 3.914 11.622 -32.127 1.00 53.53 C ATOM 378 O ARG A 27 3.879 12.791 -31.854 1.00 75.31 O ATOM 379 CB ARG A 27 6.091 10.652 -32.827 1.00 51.04 C ATOM 380 CG ARG A 27 6.745 9.607 -33.698 1.00 52.14 C ATOM 381 CD ARG A 27 7.695 10.178 -34.763 1.00 1.11 C ATOM 382 NE ARG A 27 8.825 10.941 -34.191 1.00 62.22 N ATOM 383 CZ ARG A 27 9.903 10.426 -33.614 1.00 22.44 C ATOM 384 NH1 ARG A 27 10.052 9.130 -33.411 1.00 34.13 N ATOM 385 NH2 ARG A 27 10.856 11.232 -33.244 1.00 31.20 N ATOM 0 H ARG A 27 4.936 13.171 -33.763 1.00 23.44 H new ATOM 0 HA ARG A 27 4.204 10.310 -33.830 1.00 12.02 H new ATOM 0 HB2 ARG A 27 6.756 11.513 -32.757 1.00 51.04 H new ATOM 0 HB3 ARG A 27 5.984 10.249 -31.820 1.00 51.04 H new ATOM 0 HG2 ARG A 27 7.302 8.918 -33.063 1.00 52.14 H new ATOM 0 HG3 ARG A 27 5.968 9.026 -34.195 1.00 52.14 H new ATOM 0 HD2 ARG A 27 8.087 9.359 -35.366 1.00 1.11 H new ATOM 0 HD3 ARG A 27 7.130 10.826 -35.433 1.00 1.11 H new ATOM 0 HE ARG A 27 8.771 11.958 -34.245 1.00 62.22 H new ATOM 0 HH11 ARG A 27 9.321 8.481 -33.702 1.00 34.13 H new ATOM 0 HH12 ARG A 27 10.898 8.778 -32.963 1.00 34.13 H new ATOM 0 HH21 ARG A 27 10.764 12.236 -33.400 1.00 31.20 H new ATOM 0 HH22 ARG A 27 11.695 10.860 -32.798 1.00 31.20 H new ATOM 399 N VAL A 28 3.357 10.668 -31.392 1.00 64.01 N ATOM 400 CA VAL A 28 2.622 10.945 -30.202 1.00 60.14 C ATOM 401 C VAL A 28 2.999 9.940 -29.123 1.00 75.21 C ATOM 402 O VAL A 28 2.976 8.728 -29.354 1.00 42.15 O ATOM 403 CB VAL A 28 1.077 10.830 -30.434 1.00 13.52 C ATOM 404 CG1 VAL A 28 0.271 11.274 -29.219 1.00 54.21 C ATOM 405 CG2 VAL A 28 0.650 11.680 -31.649 1.00 22.35 C ATOM 0 H VAL A 28 3.413 9.676 -31.622 1.00 64.01 H new ATOM 0 HA VAL A 28 2.867 11.964 -29.901 1.00 60.14 H new ATOM 0 HB VAL A 28 0.869 9.776 -30.616 1.00 13.52 H new ATOM 0 HG11 VAL A 28 -0.793 11.175 -29.432 1.00 54.21 H new ATOM 0 HG12 VAL A 28 0.529 10.650 -28.363 1.00 54.21 H new ATOM 0 HG13 VAL A 28 0.500 12.315 -28.991 1.00 54.21 H new ATOM 0 HG21 VAL A 28 -0.426 11.589 -31.797 1.00 22.35 H new ATOM 0 HG22 VAL A 28 0.905 12.725 -31.470 1.00 22.35 H new ATOM 0 HG23 VAL A 28 1.169 11.328 -32.540 1.00 22.35 H new ATOM 415 N GLY A 29 3.384 10.434 -27.932 1.00 61.45 N ATOM 416 CA GLY A 29 3.673 9.557 -26.806 1.00 74.34 C ATOM 417 C GLY A 29 2.424 9.323 -25.983 1.00 73.12 C ATOM 418 O GLY A 29 1.441 10.047 -26.153 1.00 42.12 O ATOM 0 H GLY A 29 3.499 11.428 -27.735 1.00 61.45 H new ATOM 0 HA2 GLY A 29 4.060 8.605 -27.169 1.00 74.34 H new ATOM 0 HA3 GLY A 29 4.449 10.000 -26.182 1.00 74.34 H new ATOM 422 N VAL A 30 2.441 8.348 -25.090 1.00 2.20 N ATOM 423 CA VAL A 30 1.282 8.089 -24.245 1.00 33.12 C ATOM 424 C VAL A 30 0.999 9.241 -23.259 1.00 73.05 C ATOM 425 O VAL A 30 -0.131 9.436 -22.843 1.00 34.15 O ATOM 426 CB VAL A 30 1.463 6.761 -23.405 1.00 72.32 C ATOM 427 CG1 VAL A 30 0.761 5.578 -24.097 1.00 43.22 C ATOM 428 CG2 VAL A 30 2.956 6.435 -23.181 1.00 42.43 C ATOM 0 H VAL A 30 3.234 7.727 -24.930 1.00 2.20 H new ATOM 0 HA VAL A 30 0.440 7.990 -24.930 1.00 33.12 H new ATOM 0 HB VAL A 30 1.001 6.924 -22.431 1.00 72.32 H new ATOM 0 HG11 VAL A 30 0.898 4.675 -23.502 1.00 43.22 H new ATOM 0 HG12 VAL A 30 -0.304 5.792 -24.192 1.00 43.22 H new ATOM 0 HG13 VAL A 30 1.191 5.429 -25.088 1.00 43.22 H new ATOM 0 HG21 VAL A 30 3.045 5.517 -22.601 1.00 42.43 H new ATOM 0 HG22 VAL A 30 3.448 6.304 -24.145 1.00 42.43 H new ATOM 0 HG23 VAL A 30 3.430 7.254 -22.640 1.00 42.43 H new ATOM 438 N ASP A 31 2.029 9.990 -22.905 1.00 4.42 N ATOM 439 CA ASP A 31 1.898 11.062 -21.936 1.00 73.43 C ATOM 440 C ASP A 31 1.946 12.444 -22.593 1.00 23.54 C ATOM 441 O ASP A 31 2.206 13.437 -21.955 1.00 63.44 O ATOM 442 CB ASP A 31 2.997 10.950 -20.866 1.00 60.01 C ATOM 443 CG ASP A 31 2.871 9.715 -20.006 1.00 35.44 C ATOM 444 OD1 ASP A 31 1.838 9.572 -19.308 1.00 35.02 O ATOM 445 OD2 ASP A 31 3.769 8.847 -20.067 1.00 5.05 O ATOM 0 H ASP A 31 2.971 9.873 -23.278 1.00 4.42 H new ATOM 0 HA ASP A 31 0.920 10.956 -21.467 1.00 73.43 H new ATOM 0 HB2 ASP A 31 3.971 10.946 -21.355 1.00 60.01 H new ATOM 0 HB3 ASP A 31 2.964 11.833 -20.228 1.00 60.01 H new ATOM 450 N ASP A 32 1.753 12.491 -23.908 1.00 44.44 N ATOM 451 CA ASP A 32 1.843 13.745 -24.649 1.00 1.55 C ATOM 452 C ASP A 32 0.639 14.654 -24.404 1.00 33.34 C ATOM 453 O ASP A 32 -0.503 14.254 -24.608 1.00 72.13 O ATOM 454 CB ASP A 32 1.927 13.456 -26.151 1.00 43.31 C ATOM 455 CG ASP A 32 3.232 13.916 -26.755 1.00 51.23 C ATOM 456 OD1 ASP A 32 3.767 14.968 -26.322 1.00 52.22 O ATOM 457 OD2 ASP A 32 3.750 13.208 -27.627 1.00 63.43 O ATOM 0 H ASP A 32 1.534 11.677 -24.482 1.00 44.44 H new ATOM 0 HA ASP A 32 2.739 14.256 -24.297 1.00 1.55 H new ATOM 0 HB2 ASP A 32 1.810 12.385 -26.319 1.00 43.31 H new ATOM 0 HB3 ASP A 32 1.100 13.951 -26.660 1.00 43.31 H new ATOM 462 N ALA A 33 0.869 15.858 -23.913 1.00 15.12 N ATOM 463 CA ALA A 33 -0.248 16.740 -23.613 1.00 21.14 C ATOM 464 C ALA A 33 -0.821 17.297 -24.918 1.00 33.14 C ATOM 465 O ALA A 33 -0.148 17.941 -25.697 1.00 41.13 O ATOM 466 CB ALA A 33 0.195 17.863 -22.679 1.00 41.32 C ATOM 0 H ALA A 33 1.793 16.242 -23.717 1.00 15.12 H new ATOM 0 HA ALA A 33 -1.029 16.177 -23.102 1.00 21.14 H new ATOM 0 HB1 ALA A 33 -0.653 18.514 -22.465 1.00 41.32 H new ATOM 0 HB2 ALA A 33 0.569 17.436 -21.748 1.00 41.32 H new ATOM 0 HB3 ALA A 33 0.986 18.442 -23.156 1.00 41.32 H new ATOM 472 N PHE A 34 -2.117 17.106 -25.105 1.00 54.11 N ATOM 473 CA PHE A 34 -2.831 17.552 -26.317 1.00 15.03 C ATOM 474 C PHE A 34 -2.637 19.040 -26.560 1.00 41.04 C ATOM 475 O PHE A 34 -2.496 19.466 -27.701 1.00 0.24 O ATOM 476 CB PHE A 34 -4.324 17.244 -26.154 1.00 22.54 C ATOM 477 CG PHE A 34 -5.159 17.598 -27.362 1.00 30.54 C ATOM 478 CD1 PHE A 34 -5.271 16.733 -28.465 1.00 71.21 C ATOM 479 CD2 PHE A 34 -5.888 18.805 -27.372 1.00 45.55 C ATOM 480 CE1 PHE A 34 -6.078 17.086 -29.582 1.00 43.53 C ATOM 481 CE2 PHE A 34 -6.706 19.171 -28.478 1.00 63.04 C ATOM 482 CZ PHE A 34 -6.789 18.293 -29.591 1.00 51.12 C ATOM 0 H PHE A 34 -2.716 16.637 -24.425 1.00 54.11 H new ATOM 0 HA PHE A 34 -2.425 17.019 -27.177 1.00 15.03 H new ATOM 0 HB2 PHE A 34 -4.444 16.182 -25.940 1.00 22.54 H new ATOM 0 HB3 PHE A 34 -4.705 17.788 -25.290 1.00 22.54 H new ATOM 0 HD1 PHE A 34 -4.740 15.793 -28.464 1.00 71.21 H new ATOM 0 HD2 PHE A 34 -5.824 19.467 -26.521 1.00 45.55 H new ATOM 0 HE1 PHE A 34 -6.143 16.419 -30.429 1.00 43.53 H new ATOM 0 HE2 PHE A 34 -7.255 20.101 -28.471 1.00 63.04 H new ATOM 0 HZ PHE A 34 -7.399 18.555 -30.443 1.00 51.12 H new ATOM 492 N HIS A 35 -2.630 19.835 -25.491 1.00 4.13 N ATOM 493 CA HIS A 35 -2.475 21.282 -25.639 1.00 62.51 C ATOM 494 C HIS A 35 -1.030 21.714 -25.886 1.00 20.42 C ATOM 495 O HIS A 35 -0.805 22.791 -26.422 1.00 23.22 O ATOM 496 CB HIS A 35 -3.025 21.979 -24.397 1.00 72.34 C ATOM 497 CG HIS A 35 -2.466 21.460 -23.107 1.00 34.04 C ATOM 498 ND1 HIS A 35 -3.122 20.582 -22.280 1.00 21.22 N ATOM 499 CD2 HIS A 35 -1.287 21.720 -22.478 1.00 5.42 C ATOM 500 CE1 HIS A 35 -2.347 20.341 -21.228 1.00 21.14 C ATOM 501 NE2 HIS A 35 -1.214 21.005 -21.298 1.00 2.51 N ATOM 0 H HIS A 35 -2.728 19.510 -24.529 1.00 4.13 H new ATOM 0 HA HIS A 35 -3.039 21.576 -26.524 1.00 62.51 H new ATOM 0 HB2 HIS A 35 -2.814 23.046 -24.469 1.00 72.34 H new ATOM 0 HB3 HIS A 35 -4.109 21.869 -24.381 1.00 72.34 H new ATOM 0 HD2 HIS A 35 -0.522 22.387 -22.847 1.00 5.42 H new ATOM 0 HE1 HIS A 35 -2.614 19.681 -20.416 1.00 21.14 H new ATOM 0 HE2 HIS A 35 -0.447 20.994 -20.626 1.00 2.51 H new ATOM 509 N ASP A 36 -0.057 20.891 -25.500 1.00 24.13 N ATOM 510 CA ASP A 36 1.354 21.246 -25.702 1.00 0.43 C ATOM 511 C ASP A 36 1.703 20.987 -27.163 1.00 24.31 C ATOM 512 O ASP A 36 2.486 21.705 -27.777 1.00 14.21 O ATOM 513 CB ASP A 36 2.259 20.410 -24.793 1.00 2.30 C ATOM 514 CG ASP A 36 3.662 20.975 -24.693 1.00 53.30 C ATOM 515 OD1 ASP A 36 3.787 22.171 -24.363 1.00 51.04 O ATOM 516 OD2 ASP A 36 4.634 20.208 -24.850 1.00 24.21 O ATOM 0 H ASP A 36 -0.211 19.987 -25.053 1.00 24.13 H new ATOM 0 HA ASP A 36 1.508 22.296 -25.453 1.00 0.43 H new ATOM 0 HB2 ASP A 36 1.820 20.358 -23.797 1.00 2.30 H new ATOM 0 HB3 ASP A 36 2.308 19.390 -25.173 1.00 2.30 H new ATOM 521 N LEU A 37 1.011 20.007 -27.739 1.00 54.53 N ATOM 522 CA LEU A 37 1.098 19.691 -29.164 1.00 12.21 C ATOM 523 C LEU A 37 0.308 20.707 -30.010 1.00 62.32 C ATOM 524 O LEU A 37 0.044 20.479 -31.181 1.00 74.10 O ATOM 525 CB LEU A 37 0.572 18.260 -29.405 1.00 33.02 C ATOM 526 CG LEU A 37 1.275 17.086 -28.691 1.00 73.13 C ATOM 527 CD1 LEU A 37 0.420 15.788 -28.873 1.00 40.53 C ATOM 528 CD2 LEU A 37 2.707 16.857 -29.188 1.00 72.13 C ATOM 0 H LEU A 37 0.368 19.404 -27.226 1.00 54.53 H new ATOM 0 HA LEU A 37 2.142 19.750 -29.472 1.00 12.21 H new ATOM 0 HB2 LEU A 37 -0.479 18.241 -29.118 1.00 33.02 H new ATOM 0 HB3 LEU A 37 0.613 18.068 -30.477 1.00 33.02 H new ATOM 0 HG LEU A 37 1.354 17.341 -27.634 1.00 73.13 H new ATOM 0 HD11 LEU A 37 0.912 14.955 -28.371 1.00 40.53 H new ATOM 0 HD12 LEU A 37 -0.569 15.940 -28.440 1.00 40.53 H new ATOM 0 HD13 LEU A 37 0.321 15.564 -29.935 1.00 40.53 H new ATOM 0 HD21 LEU A 37 3.149 16.019 -28.649 1.00 72.13 H new ATOM 0 HD22 LEU A 37 2.691 16.634 -30.255 1.00 72.13 H new ATOM 0 HD23 LEU A 37 3.301 17.754 -29.014 1.00 72.13 H new ATOM 540 N GLY A 38 -0.064 21.831 -29.409 1.00 60.24 N ATOM 541 CA GLY A 38 -0.767 22.893 -30.124 1.00 74.33 C ATOM 542 C GLY A 38 -2.284 22.811 -30.120 1.00 45.31 C ATOM 543 O GLY A 38 -2.976 23.600 -30.732 1.00 52.35 O ATOM 0 H GLY A 38 0.110 22.032 -28.424 1.00 60.24 H new ATOM 0 HA2 GLY A 38 -0.474 23.850 -29.692 1.00 74.33 H new ATOM 0 HA3 GLY A 38 -0.426 22.893 -31.159 1.00 74.33 H new ATOM 547 N GLY A 39 -2.816 21.820 -29.437 1.00 31.02 N ATOM 548 CA GLY A 39 -4.255 21.635 -29.405 1.00 55.11 C ATOM 549 C GLY A 39 -4.994 22.693 -28.622 1.00 25.55 C ATOM 550 O GLY A 39 -4.487 23.301 -27.680 1.00 1.41 O ATOM 0 H GLY A 39 -2.282 21.136 -28.901 1.00 31.02 H new ATOM 0 HA2 GLY A 39 -4.632 21.625 -30.428 1.00 55.11 H new ATOM 0 HA3 GLY A 39 -4.476 20.658 -28.974 1.00 55.11 H new ATOM 554 N SER A 40 -6.247 22.866 -29.003 1.00 33.45 N ATOM 555 CA SER A 40 -7.116 23.876 -28.413 1.00 34.15 C ATOM 556 C SER A 40 -8.482 23.246 -28.197 1.00 4.43 C ATOM 557 O SER A 40 -8.785 22.222 -28.798 1.00 55.23 O ATOM 558 CB SER A 40 -7.239 25.063 -29.379 1.00 75.44 C ATOM 559 OG SER A 40 -5.982 25.663 -29.646 1.00 11.41 O ATOM 0 H SER A 40 -6.694 22.310 -29.732 1.00 33.45 H new ATOM 0 HA SER A 40 -6.710 24.231 -27.466 1.00 34.15 H new ATOM 0 HB2 SER A 40 -7.685 24.725 -30.314 1.00 75.44 H new ATOM 0 HB3 SER A 40 -7.913 25.807 -28.955 1.00 75.44 H new ATOM 0 HG SER A 40 -6.102 26.413 -30.266 1.00 11.41 H new ATOM 565 N SER A 41 -9.334 23.854 -27.382 1.00 15.31 N ATOM 566 CA SER A 41 -10.666 23.296 -27.116 1.00 32.11 C ATOM 567 C SER A 41 -11.495 23.089 -28.388 1.00 61.24 C ATOM 568 O SER A 41 -12.217 22.108 -28.512 1.00 51.11 O ATOM 569 CB SER A 41 -11.419 24.229 -26.171 1.00 64.10 C ATOM 570 OG SER A 41 -10.525 24.736 -25.193 1.00 21.53 O ATOM 0 H SER A 41 -9.135 24.727 -26.894 1.00 15.31 H new ATOM 0 HA SER A 41 -10.520 22.314 -26.666 1.00 32.11 H new ATOM 0 HB2 SER A 41 -11.864 25.050 -26.732 1.00 64.10 H new ATOM 0 HB3 SER A 41 -12.236 23.693 -25.689 1.00 64.10 H new ATOM 0 HG SER A 41 -11.008 25.336 -24.588 1.00 21.53 H new ATOM 576 N ALA A 42 -11.354 23.995 -29.348 1.00 41.23 N ATOM 577 CA ALA A 42 -12.057 23.874 -30.620 1.00 54.24 C ATOM 578 C ALA A 42 -11.514 22.689 -31.433 1.00 22.32 C ATOM 579 O ALA A 42 -12.251 22.008 -32.140 1.00 64.21 O ATOM 580 CB ALA A 42 -11.913 25.180 -31.412 1.00 2.23 C ATOM 0 H ALA A 42 -10.760 24.821 -29.270 1.00 41.23 H new ATOM 0 HA ALA A 42 -13.113 23.689 -30.423 1.00 54.24 H new ATOM 0 HB1 ALA A 42 -12.439 25.089 -32.363 1.00 2.23 H new ATOM 0 HB2 ALA A 42 -12.340 26.002 -30.838 1.00 2.23 H new ATOM 0 HB3 ALA A 42 -10.857 25.378 -31.599 1.00 2.23 H new ATOM 586 N LEU A 43 -10.217 22.454 -31.330 1.00 65.43 N ATOM 587 CA LEU A 43 -9.578 21.350 -32.045 1.00 74.35 C ATOM 588 C LEU A 43 -9.977 20.023 -31.404 1.00 14.40 C ATOM 589 O LEU A 43 -10.161 19.023 -32.089 1.00 33.04 O ATOM 590 CB LEU A 43 -8.068 21.500 -32.028 1.00 41.12 C ATOM 591 CG LEU A 43 -7.322 20.537 -32.962 1.00 11.21 C ATOM 592 CD1 LEU A 43 -7.603 20.829 -34.443 1.00 71.14 C ATOM 593 CD2 LEU A 43 -5.856 20.612 -32.716 1.00 71.23 C ATOM 0 H LEU A 43 -9.581 23.011 -30.759 1.00 65.43 H new ATOM 0 HA LEU A 43 -9.913 21.367 -33.082 1.00 74.35 H new ATOM 0 HB2 LEU A 43 -7.814 22.523 -32.304 1.00 41.12 H new ATOM 0 HB3 LEU A 43 -7.712 21.347 -31.009 1.00 41.12 H new ATOM 0 HG LEU A 43 -7.687 19.534 -32.741 1.00 11.21 H new ATOM 0 HD11 LEU A 43 -7.053 20.122 -35.064 1.00 71.14 H new ATOM 0 HD12 LEU A 43 -8.671 20.729 -34.637 1.00 71.14 H new ATOM 0 HD13 LEU A 43 -7.285 21.844 -34.680 1.00 71.14 H new ATOM 0 HD21 LEU A 43 -5.339 19.924 -33.385 1.00 71.23 H new ATOM 0 HD22 LEU A 43 -5.508 21.628 -32.901 1.00 71.23 H new ATOM 0 HD23 LEU A 43 -5.646 20.339 -31.682 1.00 71.23 H new ATOM 605 N ALA A 44 -10.150 20.030 -30.090 1.00 43.51 N ATOM 606 CA ALA A 44 -10.586 18.839 -29.372 1.00 1.23 C ATOM 607 C ALA A 44 -11.923 18.305 -29.898 1.00 73.14 C ATOM 608 O ALA A 44 -12.160 17.130 -29.909 1.00 60.23 O ATOM 609 CB ALA A 44 -10.674 19.137 -27.866 1.00 44.30 C ATOM 0 H ALA A 44 -9.995 20.847 -29.499 1.00 43.51 H new ATOM 0 HA ALA A 44 -9.844 18.059 -29.541 1.00 1.23 H new ATOM 0 HB1 ALA A 44 -11.001 18.242 -27.336 1.00 44.30 H new ATOM 0 HB2 ALA A 44 -9.694 19.440 -27.497 1.00 44.30 H new ATOM 0 HB3 ALA A 44 -11.390 19.941 -27.695 1.00 44.30 H new ATOM 615 N MET A 45 -12.781 19.203 -30.392 1.00 63.53 N ATOM 616 CA MET A 45 -14.048 18.790 -30.979 1.00 3.34 C ATOM 617 C MET A 45 -13.826 17.950 -32.231 1.00 71.44 C ATOM 618 O MET A 45 -14.604 17.043 -32.536 1.00 22.45 O ATOM 619 CB MET A 45 -14.920 19.989 -31.340 1.00 12.33 C ATOM 620 CG MET A 45 -15.261 20.868 -30.143 1.00 33.24 C ATOM 621 SD MET A 45 -16.304 22.258 -30.624 1.00 15.12 S ATOM 622 CE MET A 45 -17.928 21.461 -30.830 1.00 12.23 C ATOM 0 H MET A 45 -12.619 20.210 -30.395 1.00 63.53 H new ATOM 0 HA MET A 45 -14.560 18.193 -30.224 1.00 3.34 H new ATOM 0 HB2 MET A 45 -14.406 20.591 -32.089 1.00 12.33 H new ATOM 0 HB3 MET A 45 -15.844 19.633 -31.796 1.00 12.33 H new ATOM 0 HG2 MET A 45 -15.772 20.273 -29.386 1.00 33.24 H new ATOM 0 HG3 MET A 45 -14.342 21.240 -29.689 1.00 33.24 H new ATOM 0 HE1 MET A 45 -18.685 22.222 -31.022 1.00 12.23 H new ATOM 0 HE2 MET A 45 -17.889 20.768 -31.670 1.00 12.23 H new ATOM 0 HE3 MET A 45 -18.184 20.916 -29.921 1.00 12.23 H new ATOM 632 N ARG A 46 -12.753 18.210 -32.963 1.00 61.20 N ATOM 633 CA ARG A 46 -12.432 17.408 -34.163 1.00 34.33 C ATOM 634 C ARG A 46 -11.879 16.054 -33.728 1.00 13.43 C ATOM 635 O ARG A 46 -12.148 15.058 -34.368 1.00 72.10 O ATOM 636 CB ARG A 46 -11.393 18.110 -35.063 1.00 12.14 C ATOM 637 CG ARG A 46 -11.953 19.203 -35.975 1.00 50.22 C ATOM 638 CD ARG A 46 -12.248 20.513 -35.252 1.00 52.00 C ATOM 639 NE ARG A 46 -12.605 21.570 -36.216 1.00 12.35 N ATOM 640 CZ ARG A 46 -13.014 22.796 -35.901 1.00 14.21 C ATOM 641 NH1 ARG A 46 -13.152 23.192 -34.658 1.00 1.32 N ATOM 642 NH2 ARG A 46 -13.295 23.638 -36.856 1.00 11.42 N ATOM 0 H ARG A 46 -12.089 18.958 -32.761 1.00 61.20 H new ATOM 0 HA ARG A 46 -13.349 17.285 -34.739 1.00 34.33 H new ATOM 0 HB2 ARG A 46 -10.623 18.548 -34.428 1.00 12.14 H new ATOM 0 HB3 ARG A 46 -10.905 17.357 -35.682 1.00 12.14 H new ATOM 0 HG2 ARG A 46 -11.241 19.394 -36.778 1.00 50.22 H new ATOM 0 HG3 ARG A 46 -12.870 18.841 -36.441 1.00 50.22 H new ATOM 0 HD2 ARG A 46 -13.064 20.368 -34.544 1.00 52.00 H new ATOM 0 HD3 ARG A 46 -11.376 20.820 -34.674 1.00 52.00 H new ATOM 0 HE ARG A 46 -12.532 21.342 -37.208 1.00 12.35 H new ATOM 0 HH11 ARG A 46 -12.943 22.551 -33.892 1.00 1.32 H new ATOM 0 HH12 ARG A 46 -13.468 24.141 -34.457 1.00 1.32 H new ATOM 0 HH21 ARG A 46 -13.200 23.354 -37.831 1.00 11.42 H new ATOM 0 HH22 ARG A 46 -13.610 24.581 -36.628 1.00 11.42 H new ATOM 656 N LEU A 47 -11.152 16.023 -32.614 1.00 20.40 N ATOM 657 CA LEU A 47 -10.634 14.763 -32.057 1.00 44.04 C ATOM 658 C LEU A 47 -11.818 13.881 -31.664 1.00 73.44 C ATOM 659 O LEU A 47 -11.858 12.700 -31.971 1.00 51.12 O ATOM 660 CB LEU A 47 -9.732 15.015 -30.853 1.00 64.11 C ATOM 661 CG LEU A 47 -9.086 13.775 -30.220 1.00 32.23 C ATOM 662 CD1 LEU A 47 -8.109 13.096 -31.174 1.00 51.43 C ATOM 663 CD2 LEU A 47 -8.337 14.201 -28.952 1.00 34.21 C ATOM 0 H LEU A 47 -10.905 16.853 -32.075 1.00 20.40 H new ATOM 0 HA LEU A 47 -10.029 14.261 -32.812 1.00 44.04 H new ATOM 0 HB2 LEU A 47 -8.938 15.698 -31.156 1.00 64.11 H new ATOM 0 HB3 LEU A 47 -10.317 15.525 -30.088 1.00 64.11 H new ATOM 0 HG LEU A 47 -9.875 13.061 -29.985 1.00 32.23 H new ATOM 0 HD11 LEU A 47 -7.673 12.223 -30.688 1.00 51.43 H new ATOM 0 HD12 LEU A 47 -8.637 12.784 -32.075 1.00 51.43 H new ATOM 0 HD13 LEU A 47 -7.317 13.795 -31.442 1.00 51.43 H new ATOM 0 HD21 LEU A 47 -7.873 13.328 -28.493 1.00 34.21 H new ATOM 0 HD22 LEU A 47 -7.566 14.927 -29.211 1.00 34.21 H new ATOM 0 HD23 LEU A 47 -9.038 14.651 -28.249 1.00 34.21 H new ATOM 675 N ILE A 48 -12.801 14.487 -30.987 1.00 1.41 N ATOM 676 CA ILE A 48 -14.004 13.779 -30.555 1.00 10.12 C ATOM 677 C ILE A 48 -14.746 13.251 -31.778 1.00 73.12 C ATOM 678 O ILE A 48 -15.166 12.105 -31.785 1.00 40.53 O ATOM 679 CB ILE A 48 -14.933 14.716 -29.727 1.00 24.23 C ATOM 680 CG1 ILE A 48 -14.253 15.102 -28.392 1.00 52.45 C ATOM 681 CG2 ILE A 48 -16.288 14.031 -29.424 1.00 3.40 C ATOM 682 CD1 ILE A 48 -14.867 16.314 -27.687 1.00 11.51 C ATOM 0 H ILE A 48 -12.782 15.473 -30.727 1.00 1.41 H new ATOM 0 HA ILE A 48 -13.711 12.945 -29.917 1.00 10.12 H new ATOM 0 HB ILE A 48 -15.114 15.612 -30.321 1.00 24.23 H new ATOM 0 HG12 ILE A 48 -14.296 14.247 -27.718 1.00 52.45 H new ATOM 0 HG13 ILE A 48 -13.199 15.305 -28.582 1.00 52.45 H new ATOM 0 HG21 ILE A 48 -16.916 14.708 -28.845 1.00 3.40 H new ATOM 0 HG22 ILE A 48 -16.788 13.783 -30.360 1.00 3.40 H new ATOM 0 HG23 ILE A 48 -16.115 13.119 -28.853 1.00 3.40 H new ATOM 0 HD11 ILE A 48 -14.326 16.509 -26.761 1.00 11.51 H new ATOM 0 HD12 ILE A 48 -14.800 17.186 -28.338 1.00 11.51 H new ATOM 0 HD13 ILE A 48 -15.913 16.111 -27.459 1.00 11.51 H new ATOM 694 N ALA A 49 -14.870 14.068 -32.817 1.00 32.41 N ATOM 695 CA ALA A 49 -15.521 13.628 -34.049 1.00 63.22 C ATOM 696 C ALA A 49 -14.807 12.400 -34.636 1.00 73.01 C ATOM 697 O ALA A 49 -15.462 11.448 -35.048 1.00 52.21 O ATOM 698 CB ALA A 49 -15.549 14.767 -35.073 1.00 30.50 C ATOM 0 H ALA A 49 -14.532 15.030 -32.834 1.00 32.41 H new ATOM 0 HA ALA A 49 -16.546 13.346 -33.811 1.00 63.22 H new ATOM 0 HB1 ALA A 49 -16.037 14.424 -35.985 1.00 30.50 H new ATOM 0 HB2 ALA A 49 -16.101 15.612 -34.662 1.00 30.50 H new ATOM 0 HB3 ALA A 49 -14.529 15.076 -35.301 1.00 30.50 H new ATOM 704 N ARG A 50 -13.480 12.413 -34.653 1.00 23.23 N ATOM 705 CA ARG A 50 -12.720 11.293 -35.183 1.00 34.55 C ATOM 706 C ARG A 50 -12.875 10.041 -34.339 1.00 75.01 C ATOM 707 O ARG A 50 -12.869 8.964 -34.878 1.00 50.41 O ATOM 708 CB ARG A 50 -11.217 11.639 -35.228 1.00 74.30 C ATOM 709 CG ARG A 50 -10.496 11.420 -36.559 1.00 54.11 C ATOM 710 CD ARG A 50 -10.837 12.450 -37.648 1.00 14.45 C ATOM 711 NE ARG A 50 -9.985 12.218 -38.826 1.00 71.35 N ATOM 712 CZ ARG A 50 -10.328 11.529 -39.912 1.00 54.43 C ATOM 713 NH1 ARG A 50 -11.505 10.986 -40.068 1.00 23.14 N ATOM 714 NH2 ARG A 50 -9.458 11.384 -40.875 1.00 75.54 N ATOM 0 H ARG A 50 -12.911 13.185 -34.306 1.00 23.23 H new ATOM 0 HA ARG A 50 -13.111 11.103 -36.182 1.00 34.55 H new ATOM 0 HB2 ARG A 50 -11.101 12.686 -34.948 1.00 74.30 H new ATOM 0 HB3 ARG A 50 -10.710 11.047 -34.466 1.00 74.30 H new ATOM 0 HG2 ARG A 50 -9.421 11.440 -36.382 1.00 54.11 H new ATOM 0 HG3 ARG A 50 -10.740 10.424 -36.930 1.00 54.11 H new ATOM 0 HD2 ARG A 50 -11.888 12.369 -37.924 1.00 14.45 H new ATOM 0 HD3 ARG A 50 -10.684 13.460 -37.269 1.00 14.45 H new ATOM 0 HE ARG A 50 -9.048 12.621 -38.808 1.00 71.35 H new ATOM 0 HH11 ARG A 50 -12.211 11.080 -39.338 1.00 23.14 H new ATOM 0 HH12 ARG A 50 -11.719 10.467 -40.920 1.00 23.14 H new ATOM 0 HH21 ARG A 50 -8.529 11.796 -40.789 1.00 75.54 H new ATOM 0 HH22 ARG A 50 -9.707 10.858 -41.713 1.00 75.54 H new ATOM 728 N ILE A 51 -13.009 10.202 -33.032 1.00 51.32 N ATOM 729 CA ILE A 51 -13.110 9.080 -32.131 1.00 44.12 C ATOM 730 C ILE A 51 -14.448 8.364 -32.450 1.00 31.24 C ATOM 731 O ILE A 51 -14.532 7.164 -32.374 1.00 2.44 O ATOM 732 CB ILE A 51 -13.069 9.510 -30.637 1.00 41.32 C ATOM 733 CG1 ILE A 51 -11.626 9.844 -30.252 1.00 0.24 C ATOM 734 CG2 ILE A 51 -13.583 8.366 -29.730 1.00 52.21 C ATOM 735 CD1 ILE A 51 -11.447 10.550 -28.892 1.00 42.21 C ATOM 0 H ILE A 51 -13.050 11.112 -32.574 1.00 51.32 H new ATOM 0 HA ILE A 51 -12.255 8.419 -32.276 1.00 44.12 H new ATOM 0 HB ILE A 51 -13.708 10.382 -30.502 1.00 41.32 H new ATOM 0 HG12 ILE A 51 -11.048 8.920 -30.240 1.00 0.24 H new ATOM 0 HG13 ILE A 51 -11.198 10.477 -31.029 1.00 0.24 H new ATOM 0 HG21 ILE A 51 -13.547 8.684 -28.688 1.00 52.21 H new ATOM 0 HG22 ILE A 51 -14.610 8.121 -30.000 1.00 52.21 H new ATOM 0 HG23 ILE A 51 -12.954 7.486 -29.862 1.00 52.21 H new ATOM 0 HD11 ILE A 51 -10.388 10.740 -28.717 1.00 42.21 H new ATOM 0 HD12 ILE A 51 -11.989 11.495 -28.899 1.00 42.21 H new ATOM 0 HD13 ILE A 51 -11.837 9.914 -28.098 1.00 42.21 H new ATOM 747 N ARG A 52 -15.463 9.102 -32.909 1.00 13.22 N ATOM 748 CA ARG A 52 -16.765 8.530 -33.273 1.00 53.41 C ATOM 749 C ARG A 52 -16.642 7.595 -34.487 1.00 2.14 C ATOM 750 O ARG A 52 -17.421 6.654 -34.622 1.00 42.15 O ATOM 751 CB ARG A 52 -17.751 9.537 -33.605 1.00 33.32 C ATOM 752 CG ARG A 52 -18.079 10.460 -32.510 1.00 21.22 C ATOM 753 CD ARG A 52 -18.742 11.728 -33.042 1.00 22.45 C ATOM 754 NE ARG A 52 -20.196 11.608 -32.851 1.00 24.04 N ATOM 755 CZ ARG A 52 -21.076 11.173 -33.741 1.00 41.40 C ATOM 756 NH1 ARG A 52 -20.753 10.793 -34.959 1.00 33.14 N ATOM 757 NH2 ARG A 52 -22.302 11.108 -33.365 1.00 64.24 N ATOM 0 H ARG A 52 -15.407 10.112 -33.039 1.00 13.22 H new ATOM 0 HA ARG A 52 -17.093 7.983 -32.389 1.00 53.41 H new ATOM 0 HB2 ARG A 52 -17.387 10.116 -34.454 1.00 33.32 H new ATOM 0 HB3 ARG A 52 -18.665 9.038 -33.928 1.00 33.32 H new ATOM 0 HG2 ARG A 52 -18.745 9.967 -31.802 1.00 21.22 H new ATOM 0 HG3 ARG A 52 -17.171 10.721 -31.966 1.00 21.22 H new ATOM 0 HD2 ARG A 52 -18.362 12.604 -32.516 1.00 22.45 H new ATOM 0 HD3 ARG A 52 -18.508 11.864 -34.098 1.00 22.45 H new ATOM 0 HE ARG A 52 -20.564 11.888 -31.942 1.00 24.04 H new ATOM 0 HH11 ARG A 52 -19.779 10.824 -35.262 1.00 33.14 H new ATOM 0 HH12 ARG A 52 -21.476 10.467 -35.600 1.00 33.14 H new ATOM 0 HH21 ARG A 52 -22.560 11.385 -32.418 1.00 64.24 H new ATOM 0 HH22 ARG A 52 -23.018 10.780 -34.013 1.00 64.24 H new ATOM 771 N GLU A 53 -15.699 7.913 -35.361 1.00 51.44 N ATOM 772 CA GLU A 53 -15.566 7.164 -36.609 1.00 55.21 C ATOM 773 C GLU A 53 -14.850 5.863 -36.287 1.00 22.24 C ATOM 774 O GLU A 53 -15.156 4.821 -36.870 1.00 2.14 O ATOM 775 CB GLU A 53 -14.738 7.962 -37.621 1.00 21.15 C ATOM 776 CG GLU A 53 -15.346 9.299 -38.017 1.00 23.31 C ATOM 777 CD GLU A 53 -14.451 10.125 -38.929 1.00 21.45 C ATOM 778 OE1 GLU A 53 -14.226 9.714 -40.081 1.00 44.30 O ATOM 779 OE2 GLU A 53 -13.933 11.180 -38.478 1.00 0.41 O ATOM 0 H GLU A 53 -15.025 8.669 -35.237 1.00 51.44 H new ATOM 0 HA GLU A 53 -16.549 6.975 -37.041 1.00 55.21 H new ATOM 0 HB2 GLU A 53 -13.747 8.137 -37.203 1.00 21.15 H new ATOM 0 HB3 GLU A 53 -14.603 7.358 -38.518 1.00 21.15 H new ATOM 0 HG2 GLU A 53 -16.298 9.122 -38.518 1.00 23.31 H new ATOM 0 HG3 GLU A 53 -15.562 9.873 -37.116 1.00 23.31 H new ATOM 786 N GLU A 54 -13.895 5.927 -35.360 1.00 13.44 N ATOM 787 CA GLU A 54 -13.075 4.760 -35.051 1.00 35.01 C ATOM 788 C GLU A 54 -13.669 3.835 -33.984 1.00 62.10 C ATOM 789 O GLU A 54 -13.565 2.624 -34.101 1.00 1.42 O ATOM 790 CB GLU A 54 -11.723 5.193 -34.536 1.00 71.03 C ATOM 791 CG GLU A 54 -10.797 5.724 -35.630 1.00 4.02 C ATOM 792 CD GLU A 54 -10.132 4.588 -36.418 1.00 44.31 C ATOM 793 OE1 GLU A 54 -9.264 3.879 -35.855 1.00 12.35 O ATOM 794 OE2 GLU A 54 -10.421 4.459 -37.628 1.00 52.40 O ATOM 0 H GLU A 54 -13.673 6.762 -34.818 1.00 13.44 H new ATOM 0 HA GLU A 54 -13.013 4.211 -35.991 1.00 35.01 H new ATOM 0 HB2 GLU A 54 -11.861 5.966 -33.781 1.00 71.03 H new ATOM 0 HB3 GLU A 54 -11.243 4.348 -34.043 1.00 71.03 H new ATOM 0 HG2 GLU A 54 -11.366 6.355 -36.313 1.00 4.02 H new ATOM 0 HG3 GLU A 54 -10.028 6.353 -35.181 1.00 4.02 H new ATOM 801 N LEU A 55 -14.235 4.408 -32.915 1.00 50.32 N ATOM 802 CA LEU A 55 -14.673 3.658 -31.746 1.00 75.10 C ATOM 803 C LEU A 55 -16.205 3.686 -31.616 1.00 73.03 C ATOM 804 O LEU A 55 -16.785 3.050 -30.725 1.00 52.53 O ATOM 805 CB LEU A 55 -14.073 4.206 -30.491 1.00 43.11 C ATOM 806 CG LEU A 55 -12.509 4.262 -30.484 1.00 24.13 C ATOM 807 CD1 LEU A 55 -12.048 4.768 -29.112 1.00 64.25 C ATOM 808 CD2 LEU A 55 -11.859 2.914 -30.758 1.00 55.43 C ATOM 0 H LEU A 55 -14.400 5.412 -32.843 1.00 50.32 H new ATOM 0 HA LEU A 55 -14.337 2.630 -31.884 1.00 75.10 H new ATOM 0 HB2 LEU A 55 -14.460 5.212 -30.329 1.00 43.11 H new ATOM 0 HB3 LEU A 55 -14.405 3.597 -29.650 1.00 43.11 H new ATOM 0 HG LEU A 55 -12.202 4.931 -31.287 1.00 24.13 H new ATOM 0 HD11 LEU A 55 -10.959 4.814 -29.088 1.00 64.25 H new ATOM 0 HD12 LEU A 55 -12.457 5.763 -28.935 1.00 64.25 H new ATOM 0 HD13 LEU A 55 -12.400 4.088 -28.336 1.00 64.25 H new ATOM 0 HD21 LEU A 55 -10.775 3.022 -30.739 1.00 55.43 H new ATOM 0 HD22 LEU A 55 -12.166 2.200 -29.994 1.00 55.43 H new ATOM 0 HD23 LEU A 55 -12.170 2.552 -31.738 1.00 55.43 H new ATOM 820 N GLY A 56 -16.857 4.456 -32.481 1.00 1.02 N ATOM 821 CA GLY A 56 -18.321 4.536 -32.469 1.00 70.22 C ATOM 822 C GLY A 56 -18.926 5.285 -31.301 1.00 20.14 C ATOM 823 O GLY A 56 -20.113 5.141 -31.043 1.00 50.11 O ATOM 0 H GLY A 56 -16.405 5.029 -33.193 1.00 1.02 H new ATOM 0 HA2 GLY A 56 -18.648 5.014 -33.392 1.00 70.22 H new ATOM 0 HA3 GLY A 56 -18.722 3.523 -32.475 1.00 70.22 H new ATOM 827 N VAL A 57 -18.146 6.112 -30.613 1.00 21.31 N ATOM 828 CA VAL A 57 -18.654 6.822 -29.433 1.00 10.34 C ATOM 829 C VAL A 57 -18.251 8.287 -29.425 1.00 1.33 C ATOM 830 O VAL A 57 -17.150 8.665 -29.844 1.00 21.54 O ATOM 831 CB VAL A 57 -18.176 6.179 -28.084 1.00 1.52 C ATOM 832 CG1 VAL A 57 -18.780 4.779 -27.920 1.00 63.42 C ATOM 833 CG2 VAL A 57 -16.631 6.078 -28.004 1.00 62.33 C ATOM 0 H VAL A 57 -17.172 6.309 -30.843 1.00 21.31 H new ATOM 0 HA VAL A 57 -19.738 6.738 -29.505 1.00 10.34 H new ATOM 0 HB VAL A 57 -18.518 6.831 -27.280 1.00 1.52 H new ATOM 0 HG11 VAL A 57 -18.440 4.344 -26.980 1.00 63.42 H new ATOM 0 HG12 VAL A 57 -19.868 4.850 -27.915 1.00 63.42 H new ATOM 0 HG13 VAL A 57 -18.462 4.146 -28.748 1.00 63.42 H new ATOM 0 HG21 VAL A 57 -16.345 5.627 -27.054 1.00 62.33 H new ATOM 0 HG22 VAL A 57 -16.264 5.461 -28.824 1.00 62.33 H new ATOM 0 HG23 VAL A 57 -16.197 7.075 -28.078 1.00 62.33 H new ATOM 843 N ASP A 58 -19.126 9.120 -28.885 1.00 30.15 N ATOM 844 CA ASP A 58 -18.810 10.536 -28.657 1.00 32.11 C ATOM 845 C ASP A 58 -17.971 10.604 -27.396 1.00 72.12 C ATOM 846 O ASP A 58 -18.470 10.366 -26.298 1.00 32.32 O ATOM 847 CB ASP A 58 -20.092 11.350 -28.457 1.00 15.30 C ATOM 848 CG ASP A 58 -20.710 11.781 -29.761 1.00 44.54 C ATOM 849 OD1 ASP A 58 -20.321 12.852 -30.261 1.00 11.41 O ATOM 850 OD2 ASP A 58 -21.531 11.031 -30.339 1.00 3.13 O ATOM 0 H ASP A 58 -20.064 8.847 -28.593 1.00 30.15 H new ATOM 0 HA ASP A 58 -18.280 10.948 -29.515 1.00 32.11 H new ATOM 0 HB2 ASP A 58 -20.813 10.755 -27.896 1.00 15.30 H new ATOM 0 HB3 ASP A 58 -19.869 12.231 -27.855 1.00 15.30 H new ATOM 855 N LEU A 59 -16.689 10.893 -27.549 1.00 34.41 N ATOM 856 CA LEU A 59 -15.794 10.949 -26.398 1.00 3.51 C ATOM 857 C LEU A 59 -16.263 12.064 -25.450 1.00 2.44 C ATOM 858 O LEU A 59 -16.346 13.231 -25.845 1.00 62.42 O ATOM 859 CB LEU A 59 -14.350 11.199 -26.839 1.00 5.01 C ATOM 860 CG LEU A 59 -13.177 10.918 -25.857 1.00 42.31 C ATOM 861 CD1 LEU A 59 -13.159 11.786 -24.615 1.00 51.24 C ATOM 862 CD2 LEU A 59 -13.141 9.452 -25.443 1.00 60.24 C ATOM 0 H LEU A 59 -16.246 11.091 -28.446 1.00 34.41 H new ATOM 0 HA LEU A 59 -15.822 9.991 -25.879 1.00 3.51 H new ATOM 0 HB2 LEU A 59 -14.176 10.599 -27.732 1.00 5.01 H new ATOM 0 HB3 LEU A 59 -14.279 12.245 -27.138 1.00 5.01 H new ATOM 0 HG LEU A 59 -12.285 11.177 -26.428 1.00 42.31 H new ATOM 0 HD11 LEU A 59 -12.305 11.515 -23.994 1.00 51.24 H new ATOM 0 HD12 LEU A 59 -13.079 12.834 -24.905 1.00 51.24 H new ATOM 0 HD13 LEU A 59 -14.080 11.635 -24.052 1.00 51.24 H new ATOM 0 HD21 LEU A 59 -12.310 9.288 -24.757 1.00 60.24 H new ATOM 0 HD22 LEU A 59 -14.077 9.190 -24.949 1.00 60.24 H new ATOM 0 HD23 LEU A 59 -13.010 8.827 -26.327 1.00 60.24 H new ATOM 874 N PRO A 60 -16.561 11.728 -24.185 1.00 14.22 N ATOM 875 CA PRO A 60 -16.984 12.760 -23.226 1.00 32.41 C ATOM 876 C PRO A 60 -15.912 13.831 -23.037 1.00 21.02 C ATOM 877 O PRO A 60 -14.816 13.536 -22.563 1.00 21.13 O ATOM 878 CB PRO A 60 -17.174 11.969 -21.922 1.00 40.04 C ATOM 879 CG PRO A 60 -17.354 10.563 -22.348 1.00 42.44 C ATOM 880 CD PRO A 60 -16.512 10.394 -23.567 1.00 22.13 C ATOM 0 HA PRO A 60 -17.877 13.291 -23.556 1.00 32.41 H new ATOM 0 HB2 PRO A 60 -16.309 12.075 -21.267 1.00 40.04 H new ATOM 0 HB3 PRO A 60 -18.041 12.327 -21.366 1.00 40.04 H new ATOM 0 HG2 PRO A 60 -17.045 9.874 -21.562 1.00 42.44 H new ATOM 0 HG3 PRO A 60 -18.401 10.351 -22.564 1.00 42.44 H new ATOM 0 HD2 PRO A 60 -15.492 10.101 -23.317 1.00 22.13 H new ATOM 0 HD3 PRO A 60 -16.910 9.626 -24.230 1.00 22.13 H new ATOM 888 N ILE A 61 -16.218 15.079 -23.367 1.00 51.42 N ATOM 889 CA ILE A 61 -15.229 16.159 -23.268 1.00 13.01 C ATOM 890 C ILE A 61 -14.706 16.325 -21.824 1.00 31.25 C ATOM 891 O ILE A 61 -13.565 16.721 -21.606 1.00 70.04 O ATOM 892 CB ILE A 61 -15.796 17.497 -23.856 1.00 71.24 C ATOM 893 CG1 ILE A 61 -14.642 18.459 -24.194 1.00 0.22 C ATOM 894 CG2 ILE A 61 -16.829 18.146 -22.893 1.00 64.41 C ATOM 895 CD1 ILE A 61 -15.034 19.627 -25.113 1.00 63.45 C ATOM 0 H ILE A 61 -17.135 15.373 -23.704 1.00 51.42 H new ATOM 0 HA ILE A 61 -14.368 15.881 -23.876 1.00 13.01 H new ATOM 0 HB ILE A 61 -16.328 17.272 -24.780 1.00 71.24 H new ATOM 0 HG12 ILE A 61 -14.239 18.863 -23.265 1.00 0.22 H new ATOM 0 HG13 ILE A 61 -13.841 17.893 -24.669 1.00 0.22 H new ATOM 0 HG21 ILE A 61 -17.203 19.072 -23.331 1.00 64.41 H new ATOM 0 HG22 ILE A 61 -17.660 17.459 -22.734 1.00 64.41 H new ATOM 0 HG23 ILE A 61 -16.350 18.363 -21.938 1.00 64.41 H new ATOM 0 HD11 ILE A 61 -14.161 20.253 -25.298 1.00 63.45 H new ATOM 0 HD12 ILE A 61 -15.408 19.236 -26.059 1.00 63.45 H new ATOM 0 HD13 ILE A 61 -15.812 20.222 -24.634 1.00 63.45 H new ATOM 907 N ARG A 62 -15.504 15.930 -20.835 1.00 74.52 N ATOM 908 CA ARG A 62 -15.064 15.959 -19.438 1.00 31.34 C ATOM 909 C ARG A 62 -13.889 15.002 -19.198 1.00 21.10 C ATOM 910 O ARG A 62 -12.986 15.324 -18.453 1.00 40.04 O ATOM 911 CB ARG A 62 -16.232 15.622 -18.497 1.00 41.04 C ATOM 912 CG ARG A 62 -15.817 15.575 -17.016 1.00 73.10 C ATOM 913 CD ARG A 62 -17.019 15.634 -16.078 1.00 74.33 C ATOM 914 NE ARG A 62 -17.562 16.996 -15.954 1.00 22.42 N ATOM 915 CZ ARG A 62 -17.121 17.929 -15.114 1.00 11.34 C ATOM 916 NH1 ARG A 62 -16.113 17.720 -14.297 1.00 50.12 N ATOM 917 NH2 ARG A 62 -17.704 19.101 -15.091 1.00 22.34 N ATOM 0 H ARG A 62 -16.455 15.587 -20.971 1.00 74.52 H new ATOM 0 HA ARG A 62 -14.719 16.970 -19.221 1.00 31.34 H new ATOM 0 HB2 ARG A 62 -17.020 16.364 -18.624 1.00 41.04 H new ATOM 0 HB3 ARG A 62 -16.654 14.658 -18.781 1.00 41.04 H new ATOM 0 HG2 ARG A 62 -15.255 14.660 -16.827 1.00 73.10 H new ATOM 0 HG3 ARG A 62 -15.149 16.409 -16.801 1.00 73.10 H new ATOM 0 HD2 ARG A 62 -17.798 14.966 -16.446 1.00 74.33 H new ATOM 0 HD3 ARG A 62 -16.727 15.270 -15.093 1.00 74.33 H new ATOM 0 HE ARG A 62 -18.341 17.246 -16.563 1.00 22.42 H new ATOM 0 HH11 ARG A 62 -15.639 16.817 -14.292 1.00 50.12 H new ATOM 0 HH12 ARG A 62 -15.804 18.461 -13.668 1.00 50.12 H new ATOM 0 HH21 ARG A 62 -18.489 19.292 -15.713 1.00 22.34 H new ATOM 0 HH22 ARG A 62 -17.373 19.823 -14.451 1.00 22.34 H new ATOM 931 N GLN A 63 -13.888 13.849 -19.854 1.00 31.25 N ATOM 932 CA GLN A 63 -12.796 12.890 -19.699 1.00 12.12 C ATOM 933 C GLN A 63 -11.528 13.430 -20.359 1.00 43.33 C ATOM 934 O GLN A 63 -10.437 13.297 -19.817 1.00 51.35 O ATOM 935 CB GLN A 63 -13.187 11.530 -20.297 1.00 44.41 C ATOM 936 CG GLN A 63 -13.655 10.523 -19.247 1.00 32.32 C ATOM 937 CD GLN A 63 -14.807 11.039 -18.398 1.00 13.55 C ATOM 938 OE1 GLN A 63 -14.611 11.606 -17.326 1.00 65.23 O ATOM 939 NE2 GLN A 63 -16.019 10.833 -18.852 1.00 31.13 N ATOM 0 H GLN A 63 -14.625 13.554 -20.495 1.00 31.25 H new ATOM 0 HA GLN A 63 -12.599 12.748 -18.636 1.00 12.12 H new ATOM 0 HB2 GLN A 63 -13.981 11.677 -21.029 1.00 44.41 H new ATOM 0 HB3 GLN A 63 -12.332 11.116 -20.832 1.00 44.41 H new ATOM 0 HG2 GLN A 63 -13.962 9.604 -19.745 1.00 32.32 H new ATOM 0 HG3 GLN A 63 -12.818 10.269 -18.597 1.00 32.32 H new ATOM 0 HE21 GLN A 63 -16.155 10.360 -19.745 1.00 31.13 H new ATOM 0 HE22 GLN A 63 -16.826 11.146 -18.312 1.00 31.13 H new ATOM 948 N LEU A 64 -11.696 14.106 -21.487 1.00 64.52 N ATOM 949 CA LEU A 64 -10.578 14.743 -22.182 1.00 74.51 C ATOM 950 C LEU A 64 -9.942 15.828 -21.317 1.00 15.41 C ATOM 951 O LEU A 64 -8.730 15.888 -21.178 1.00 63.20 O ATOM 952 CB LEU A 64 -11.063 15.364 -23.501 1.00 70.00 C ATOM 953 CG LEU A 64 -10.651 14.612 -24.777 1.00 52.03 C ATOM 954 CD1 LEU A 64 -11.503 15.078 -25.952 1.00 13.40 C ATOM 955 CD2 LEU A 64 -9.177 14.823 -25.109 1.00 64.31 C ATOM 0 H LEU A 64 -12.599 14.230 -21.945 1.00 64.52 H new ATOM 0 HA LEU A 64 -9.830 13.977 -22.389 1.00 74.51 H new ATOM 0 HB2 LEU A 64 -12.151 15.429 -23.474 1.00 70.00 H new ATOM 0 HB3 LEU A 64 -10.684 16.384 -23.563 1.00 70.00 H new ATOM 0 HG LEU A 64 -10.810 13.549 -24.596 1.00 52.03 H new ATOM 0 HD11 LEU A 64 -11.206 14.541 -26.853 1.00 13.40 H new ATOM 0 HD12 LEU A 64 -12.554 14.879 -25.741 1.00 13.40 H new ATOM 0 HD13 LEU A 64 -11.360 16.148 -26.104 1.00 13.40 H new ATOM 0 HD21 LEU A 64 -8.927 14.275 -26.017 1.00 64.31 H new ATOM 0 HD22 LEU A 64 -8.987 15.885 -25.262 1.00 64.31 H new ATOM 0 HD23 LEU A 64 -8.563 14.460 -24.285 1.00 64.31 H new ATOM 967 N PHE A 65 -10.765 16.687 -20.734 1.00 41.33 N ATOM 968 CA PHE A 65 -10.265 17.793 -19.915 1.00 14.32 C ATOM 969 C PHE A 65 -9.735 17.327 -18.558 1.00 71.12 C ATOM 970 O PHE A 65 -8.900 17.991 -17.958 1.00 2.45 O ATOM 971 CB PHE A 65 -11.375 18.828 -19.694 1.00 70.32 C ATOM 972 CG PHE A 65 -11.744 19.639 -20.934 1.00 10.30 C ATOM 973 CD1 PHE A 65 -11.037 19.527 -22.160 1.00 1.35 C ATOM 974 CD2 PHE A 65 -12.807 20.559 -20.854 1.00 31.33 C ATOM 975 CE1 PHE A 65 -11.396 20.322 -23.274 1.00 74.14 C ATOM 976 CE2 PHE A 65 -13.170 21.357 -21.966 1.00 14.14 C ATOM 977 CZ PHE A 65 -12.464 21.239 -23.175 1.00 23.54 C ATOM 0 H PHE A 65 -11.781 16.644 -20.810 1.00 41.33 H new ATOM 0 HA PHE A 65 -9.433 18.239 -20.461 1.00 14.32 H new ATOM 0 HB2 PHE A 65 -12.266 18.314 -19.334 1.00 70.32 H new ATOM 0 HB3 PHE A 65 -11.062 19.514 -18.907 1.00 70.32 H new ATOM 0 HD1 PHE A 65 -10.218 18.828 -22.243 1.00 1.35 H new ATOM 0 HD2 PHE A 65 -13.355 20.658 -19.929 1.00 31.33 H new ATOM 0 HE1 PHE A 65 -10.852 20.227 -24.202 1.00 74.14 H new ATOM 0 HE2 PHE A 65 -13.989 22.056 -21.885 1.00 14.14 H new ATOM 0 HZ PHE A 65 -12.737 21.847 -24.025 1.00 23.54 H new ATOM 987 N SER A 66 -10.220 16.191 -18.074 1.00 4.10 N ATOM 988 CA SER A 66 -9.775 15.648 -16.783 1.00 1.33 C ATOM 989 C SER A 66 -8.334 15.160 -16.876 1.00 63.21 C ATOM 990 O SER A 66 -7.580 15.203 -15.901 1.00 21.31 O ATOM 991 CB SER A 66 -10.673 14.480 -16.358 1.00 23.34 C ATOM 992 OG SER A 66 -10.348 14.019 -15.066 1.00 44.05 O ATOM 0 H SER A 66 -10.921 15.623 -18.550 1.00 4.10 H new ATOM 0 HA SER A 66 -9.839 16.445 -16.042 1.00 1.33 H new ATOM 0 HB2 SER A 66 -11.716 14.795 -16.381 1.00 23.34 H new ATOM 0 HB3 SER A 66 -10.571 13.663 -17.073 1.00 23.34 H new ATOM 0 HG SER A 66 -10.940 13.276 -14.825 1.00 44.05 H new ATOM 998 N SER A 67 -7.959 14.662 -18.045 1.00 14.10 N ATOM 999 CA SER A 67 -6.609 14.156 -18.271 1.00 72.30 C ATOM 1000 C SER A 67 -6.223 14.353 -19.737 1.00 72.31 C ATOM 1001 O SER A 67 -6.446 13.469 -20.554 1.00 20.21 O ATOM 1002 CB SER A 67 -6.557 12.673 -17.919 1.00 54.22 C ATOM 1003 OG SER A 67 -6.890 12.468 -16.560 1.00 24.41 O ATOM 0 H SER A 67 -8.573 14.596 -18.857 1.00 14.10 H new ATOM 0 HA SER A 67 -5.907 14.702 -17.641 1.00 72.30 H new ATOM 0 HB2 SER A 67 -7.248 12.119 -18.555 1.00 54.22 H new ATOM 0 HB3 SER A 67 -5.559 12.282 -18.117 1.00 54.22 H new ATOM 0 HG SER A 67 -6.852 11.510 -16.355 1.00 24.41 H new ATOM 1009 N PRO A 68 -5.656 15.524 -20.092 1.00 53.34 N ATOM 1010 CA PRO A 68 -5.358 15.857 -21.498 1.00 64.23 C ATOM 1011 C PRO A 68 -4.140 15.165 -22.131 1.00 2.23 C ATOM 1012 O PRO A 68 -3.413 15.777 -22.911 1.00 13.44 O ATOM 1013 CB PRO A 68 -5.158 17.381 -21.436 1.00 3.43 C ATOM 1014 CG PRO A 68 -4.567 17.594 -20.112 1.00 33.24 C ATOM 1015 CD PRO A 68 -5.326 16.662 -19.207 1.00 73.05 C ATOM 0 HA PRO A 68 -6.161 15.506 -22.146 1.00 64.23 H new ATOM 0 HB2 PRO A 68 -4.500 17.732 -22.231 1.00 3.43 H new ATOM 0 HB3 PRO A 68 -6.102 17.915 -21.545 1.00 3.43 H new ATOM 0 HG2 PRO A 68 -3.501 17.367 -20.112 1.00 33.24 H new ATOM 0 HG3 PRO A 68 -4.672 18.631 -19.792 1.00 33.24 H new ATOM 0 HD2 PRO A 68 -4.723 16.348 -18.355 1.00 73.05 H new ATOM 0 HD3 PRO A 68 -6.223 17.133 -18.805 1.00 73.05 H new ATOM 1023 N THR A 69 -3.942 13.889 -21.842 1.00 1.54 N ATOM 1024 CA THR A 69 -2.874 13.098 -22.469 1.00 3.53 C ATOM 1025 C THR A 69 -3.551 11.874 -23.029 1.00 32.15 C ATOM 1026 O THR A 69 -4.594 11.468 -22.521 1.00 54.14 O ATOM 1027 CB THR A 69 -1.799 12.629 -21.465 1.00 62.24 C ATOM 1028 OG1 THR A 69 -2.423 11.972 -20.359 1.00 44.04 O ATOM 1029 CG2 THR A 69 -1.003 13.774 -20.936 1.00 34.21 C ATOM 0 H THR A 69 -4.508 13.368 -21.172 1.00 1.54 H new ATOM 0 HA THR A 69 -2.366 13.709 -23.215 1.00 3.53 H new ATOM 0 HB THR A 69 -1.133 11.949 -21.996 1.00 62.24 H new ATOM 0 HG1 THR A 69 -1.737 11.675 -19.726 1.00 44.04 H new ATOM 0 HG21 THR A 69 -0.257 13.404 -20.233 1.00 34.21 H new ATOM 0 HG22 THR A 69 -0.504 14.282 -21.761 1.00 34.21 H new ATOM 0 HG23 THR A 69 -1.666 14.474 -20.427 1.00 34.21 H new ATOM 1037 N PRO A 70 -2.996 11.258 -24.082 1.00 53.32 N ATOM 1038 CA PRO A 70 -3.751 10.133 -24.631 1.00 64.05 C ATOM 1039 C PRO A 70 -3.948 8.951 -23.668 1.00 42.23 C ATOM 1040 O PRO A 70 -5.052 8.399 -23.580 1.00 31.32 O ATOM 1041 CB PRO A 70 -2.933 9.760 -25.877 1.00 74.41 C ATOM 1042 CG PRO A 70 -1.627 10.286 -25.661 1.00 61.21 C ATOM 1043 CD PRO A 70 -1.782 11.524 -24.877 1.00 10.23 C ATOM 0 HA PRO A 70 -4.785 10.405 -24.845 1.00 64.05 H new ATOM 0 HB2 PRO A 70 -2.901 8.679 -26.013 1.00 74.41 H new ATOM 0 HB3 PRO A 70 -3.379 10.182 -26.778 1.00 74.41 H new ATOM 0 HG2 PRO A 70 -1.006 9.567 -25.127 1.00 61.21 H new ATOM 0 HG3 PRO A 70 -1.132 10.491 -26.611 1.00 61.21 H new ATOM 0 HD2 PRO A 70 -0.916 11.712 -24.242 1.00 10.23 H new ATOM 0 HD3 PRO A 70 -1.902 12.397 -25.519 1.00 10.23 H new ATOM 1051 N ALA A 71 -2.938 8.606 -22.882 1.00 15.31 N ATOM 1052 CA ALA A 71 -3.090 7.517 -21.895 1.00 23.01 C ATOM 1053 C ALA A 71 -4.005 7.967 -20.749 1.00 71.53 C ATOM 1054 O ALA A 71 -4.759 7.184 -20.158 1.00 43.51 O ATOM 1055 CB ALA A 71 -1.743 7.102 -21.347 1.00 41.12 C ATOM 0 H ALA A 71 -2.018 9.046 -22.897 1.00 15.31 H new ATOM 0 HA ALA A 71 -3.540 6.660 -22.396 1.00 23.01 H new ATOM 0 HB1 ALA A 71 -1.877 6.299 -20.622 1.00 41.12 H new ATOM 0 HB2 ALA A 71 -1.110 6.752 -22.163 1.00 41.12 H new ATOM 0 HB3 ALA A 71 -1.270 7.955 -20.861 1.00 41.12 H new ATOM 1061 N GLY A 72 -3.943 9.255 -20.466 1.00 55.40 N ATOM 1062 CA GLY A 72 -4.763 9.839 -19.429 1.00 54.02 C ATOM 1063 C GLY A 72 -6.223 9.710 -19.801 1.00 65.31 C ATOM 1064 O GLY A 72 -7.016 9.255 -18.999 1.00 50.54 O ATOM 0 H GLY A 72 -3.330 9.916 -20.943 1.00 55.40 H new ATOM 0 HA2 GLY A 72 -4.574 9.340 -18.479 1.00 54.02 H new ATOM 0 HA3 GLY A 72 -4.503 10.889 -19.295 1.00 54.02 H new ATOM 1068 N VAL A 73 -6.585 10.035 -21.029 1.00 32.35 N ATOM 1069 CA VAL A 73 -7.963 9.916 -21.484 1.00 2.42 C ATOM 1070 C VAL A 73 -8.392 8.475 -21.469 1.00 74.43 C ATOM 1071 O VAL A 73 -9.495 8.156 -20.880 1.00 41.40 O ATOM 1072 CB VAL A 73 -8.122 10.455 -22.953 1.00 54.52 C ATOM 1073 CG1 VAL A 73 -9.535 10.224 -23.477 1.00 10.14 C ATOM 1074 CG2 VAL A 73 -7.846 11.967 -23.001 1.00 33.00 C ATOM 0 H VAL A 73 -5.939 10.387 -21.736 1.00 32.35 H new ATOM 0 HA VAL A 73 -8.582 10.506 -20.808 1.00 2.42 H new ATOM 0 HB VAL A 73 -7.407 9.914 -23.572 1.00 54.52 H new ATOM 0 HG11 VAL A 73 -9.613 10.607 -24.494 1.00 10.14 H new ATOM 0 HG12 VAL A 73 -9.754 9.156 -23.474 1.00 10.14 H new ATOM 0 HG13 VAL A 73 -10.249 10.743 -22.838 1.00 10.14 H new ATOM 0 HG21 VAL A 73 -7.960 12.325 -24.024 1.00 33.00 H new ATOM 0 HG22 VAL A 73 -8.553 12.487 -22.354 1.00 33.00 H new ATOM 0 HG23 VAL A 73 -6.830 12.162 -22.659 1.00 33.00 H new ATOM 1084 N ALA A 74 -7.581 7.525 -21.942 1.00 64.12 N ATOM 1085 CA ALA A 74 -7.886 6.094 -21.946 1.00 75.52 C ATOM 1086 C ALA A 74 -8.186 5.577 -20.527 1.00 33.05 C ATOM 1087 O ALA A 74 -9.175 4.908 -20.301 1.00 22.11 O ATOM 1088 CB ALA A 74 -6.735 5.332 -22.581 1.00 74.44 C ATOM 0 H ALA A 74 -6.668 7.738 -22.344 1.00 64.12 H new ATOM 0 HA ALA A 74 -8.787 5.930 -22.537 1.00 75.52 H new ATOM 0 HB1 ALA A 74 -6.962 4.266 -22.584 1.00 74.44 H new ATOM 0 HB2 ALA A 74 -6.593 5.676 -23.606 1.00 74.44 H new ATOM 0 HB3 ALA A 74 -5.823 5.507 -22.010 1.00 74.44 H new ATOM 1094 N ARG A 75 -7.341 5.879 -19.580 1.00 43.22 N ATOM 1095 CA ARG A 75 -7.560 5.390 -18.225 1.00 34.23 C ATOM 1096 C ARG A 75 -8.738 6.124 -17.565 1.00 14.11 C ATOM 1097 O ARG A 75 -9.401 5.554 -16.674 1.00 14.20 O ATOM 1098 CB ARG A 75 -6.302 5.478 -17.347 1.00 32.10 C ATOM 1099 CG ARG A 75 -5.937 6.790 -16.754 1.00 4.40 C ATOM 1100 CD ARG A 75 -4.587 6.774 -16.075 1.00 11.44 C ATOM 1101 NE ARG A 75 -4.227 8.048 -15.489 1.00 52.03 N ATOM 1102 CZ ARG A 75 -4.396 8.393 -14.213 1.00 45.01 C ATOM 1103 NH1 ARG A 75 -4.888 7.578 -13.316 1.00 73.03 N ATOM 1104 NH2 ARG A 75 -4.078 9.617 -13.833 1.00 23.32 N ATOM 0 H ARG A 75 -6.505 6.450 -19.706 1.00 43.22 H new ATOM 0 HA ARG A 75 -7.806 4.332 -18.311 1.00 34.23 H new ATOM 0 HB2 ARG A 75 -6.419 4.767 -16.529 1.00 32.10 H new ATOM 0 HB3 ARG A 75 -5.457 5.139 -17.946 1.00 32.10 H new ATOM 0 HG2 ARG A 75 -5.935 7.549 -17.537 1.00 4.40 H new ATOM 0 HG3 ARG A 75 -6.699 7.080 -16.030 1.00 4.40 H new ATOM 0 HD2 ARG A 75 -4.588 6.011 -15.297 1.00 11.44 H new ATOM 0 HD3 ARG A 75 -3.826 6.488 -16.801 1.00 11.44 H new ATOM 0 HE ARG A 75 -3.807 8.742 -16.107 1.00 52.03 H new ATOM 0 HH11 ARG A 75 -5.161 6.632 -13.582 1.00 73.03 H new ATOM 0 HH12 ARG A 75 -4.998 7.889 -12.351 1.00 73.03 H new ATOM 0 HH21 ARG A 75 -3.709 10.282 -14.512 1.00 23.32 H new ATOM 0 HH22 ARG A 75 -4.201 9.897 -12.860 1.00 23.32 H new ATOM 1118 N ALA A 76 -8.971 7.370 -17.940 1.00 31.10 N ATOM 1119 CA ALA A 76 -10.069 8.124 -17.356 1.00 31.12 C ATOM 1120 C ALA A 76 -11.411 7.580 -17.774 1.00 11.15 C ATOM 1121 O ALA A 76 -12.316 7.456 -16.949 1.00 15.02 O ATOM 1122 CB ALA A 76 -9.926 9.629 -17.733 1.00 31.13 C ATOM 0 H ALA A 76 -8.424 7.876 -18.636 1.00 31.10 H new ATOM 0 HA ALA A 76 -10.018 8.022 -16.272 1.00 31.12 H new ATOM 0 HB1 ALA A 76 -10.749 10.194 -17.295 1.00 31.13 H new ATOM 0 HB2 ALA A 76 -8.980 10.012 -17.351 1.00 31.13 H new ATOM 0 HB3 ALA A 76 -9.949 9.736 -18.817 1.00 31.13 H new ATOM 1128 N LEU A 77 -11.559 7.268 -19.051 1.00 22.13 N ATOM 1129 CA LEU A 77 -12.815 6.723 -19.542 1.00 0.43 C ATOM 1130 C LEU A 77 -12.971 5.286 -19.068 1.00 24.34 C ATOM 1131 O LEU A 77 -14.080 4.841 -18.779 1.00 2.40 O ATOM 1132 CB LEU A 77 -12.934 6.899 -21.071 1.00 74.31 C ATOM 1133 CG LEU A 77 -11.859 6.161 -21.913 1.00 22.20 C ATOM 1134 CD1 LEU A 77 -12.222 4.726 -22.248 1.00 22.01 C ATOM 1135 CD2 LEU A 77 -11.649 6.862 -23.217 1.00 61.42 C ATOM 0 H LEU A 77 -10.834 7.381 -19.760 1.00 22.13 H new ATOM 0 HA LEU A 77 -13.653 7.281 -19.124 1.00 0.43 H new ATOM 0 HB2 LEU A 77 -13.918 6.551 -21.384 1.00 74.31 H new ATOM 0 HB3 LEU A 77 -12.884 7.963 -21.302 1.00 74.31 H new ATOM 0 HG LEU A 77 -10.964 6.162 -21.291 1.00 22.20 H new ATOM 0 HD11 LEU A 77 -11.423 4.277 -22.837 1.00 22.01 H new ATOM 0 HD12 LEU A 77 -12.355 4.160 -21.326 1.00 22.01 H new ATOM 0 HD13 LEU A 77 -13.149 4.710 -22.821 1.00 22.01 H new ATOM 0 HD21 LEU A 77 -10.892 6.333 -23.797 1.00 61.42 H new ATOM 0 HD22 LEU A 77 -12.585 6.881 -23.775 1.00 61.42 H new ATOM 0 HD23 LEU A 77 -11.316 7.883 -23.032 1.00 61.42 H new