USER MOD reduce.3.24.130724 H: found=0, std=0, add=519, rem=0, adj=10 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 21:sc= 0.251 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 CYS SG : rot 73:sc= 0.445 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HD1:sc= -0.133 X(o=-0.13,f=-0.18) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl -175:sc= 0 (180deg=-0.0191) USER MOD Single : A 63 GLN :FLIP amide:sc= -0.327 F(o=-1.2,f=-0.33) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot -170:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 127 N THR A 11 -6.091 0.491 -27.164 1.00 12.04 N ATOM 128 CA THR A 11 -6.882 1.703 -27.416 1.00 64.13 C ATOM 129 C THR A 11 -5.987 2.931 -27.542 1.00 64.01 C ATOM 130 O THR A 11 -6.170 3.768 -28.413 1.00 3.12 O ATOM 131 CB THR A 11 -7.897 1.947 -26.274 1.00 3.43 C ATOM 132 OG1 THR A 11 -8.572 0.727 -25.983 1.00 44.44 O ATOM 133 CG2 THR A 11 -8.952 2.964 -26.650 1.00 33.31 C ATOM 0 HA THR A 11 -7.414 1.546 -28.354 1.00 64.13 H new ATOM 0 HB THR A 11 -7.334 2.321 -25.419 1.00 3.43 H new ATOM 0 HG1 THR A 11 -8.039 -0.028 -26.309 1.00 44.44 H new ATOM 0 HG21 THR A 11 -9.640 3.100 -25.816 1.00 33.31 H new ATOM 0 HG22 THR A 11 -8.474 3.915 -26.884 1.00 33.31 H new ATOM 0 HG23 THR A 11 -9.504 2.611 -27.521 1.00 33.31 H new ATOM 141 N GLU A 12 -4.966 2.985 -26.697 1.00 42.54 N ATOM 142 CA GLU A 12 -4.004 4.071 -26.704 1.00 0.23 C ATOM 143 C GLU A 12 -3.331 4.202 -28.064 1.00 15.41 C ATOM 144 O GLU A 12 -3.104 5.305 -28.533 1.00 13.41 O ATOM 145 CB GLU A 12 -2.913 3.863 -25.646 1.00 73.11 C ATOM 146 CG GLU A 12 -3.345 4.091 -24.204 1.00 64.11 C ATOM 147 CD GLU A 12 -3.954 2.852 -23.541 1.00 53.11 C ATOM 148 OE1 GLU A 12 -4.966 2.319 -24.040 1.00 44.45 O ATOM 149 OE2 GLU A 12 -3.402 2.384 -22.510 1.00 1.11 O ATOM 0 H GLU A 12 -4.784 2.275 -25.988 1.00 42.54 H new ATOM 0 HA GLU A 12 -4.562 4.980 -26.478 1.00 0.23 H new ATOM 0 HB2 GLU A 12 -2.533 2.845 -25.736 1.00 73.11 H new ATOM 0 HB3 GLU A 12 -2.083 4.534 -25.869 1.00 73.11 H new ATOM 0 HG2 GLU A 12 -2.482 4.416 -23.623 1.00 64.11 H new ATOM 0 HG3 GLU A 12 -4.073 4.902 -24.176 1.00 64.11 H new ATOM 156 N LYS A 13 -3.034 3.079 -28.695 1.00 21.40 N ATOM 157 CA LYS A 13 -2.332 3.075 -29.993 1.00 51.44 C ATOM 158 C LYS A 13 -3.186 3.711 -31.096 1.00 22.00 C ATOM 159 O LYS A 13 -2.668 4.429 -31.944 1.00 12.12 O ATOM 160 CB LYS A 13 -1.975 1.639 -30.367 1.00 51.03 C ATOM 161 CG LYS A 13 -1.107 0.958 -29.330 1.00 51.24 C ATOM 162 CD LYS A 13 -0.904 -0.508 -29.657 1.00 23.51 C ATOM 163 CE LYS A 13 -0.113 -1.238 -28.551 1.00 65.14 C ATOM 164 NZ LYS A 13 1.287 -0.764 -28.412 1.00 72.40 N ATOM 0 H LYS A 13 -3.263 2.151 -28.339 1.00 21.40 H new ATOM 0 HA LYS A 13 -1.424 3.670 -29.896 1.00 51.44 H new ATOM 0 HB2 LYS A 13 -2.892 1.065 -30.500 1.00 51.03 H new ATOM 0 HB3 LYS A 13 -1.456 1.637 -31.326 1.00 51.03 H new ATOM 0 HG2 LYS A 13 -0.140 1.458 -29.277 1.00 51.24 H new ATOM 0 HG3 LYS A 13 -1.569 1.053 -28.347 1.00 51.24 H new ATOM 0 HD2 LYS A 13 -1.873 -0.989 -29.788 1.00 23.51 H new ATOM 0 HD3 LYS A 13 -0.372 -0.599 -30.604 1.00 23.51 H new ATOM 0 HE2 LYS A 13 -0.629 -1.107 -27.600 1.00 65.14 H new ATOM 0 HE3 LYS A 13 -0.107 -2.307 -28.765 1.00 65.14 H new ATOM 0 HZ1 LYS A 13 1.760 -1.295 -27.653 1.00 72.40 H new ATOM 0 HZ2 LYS A 13 1.795 -0.913 -29.307 1.00 72.40 H new ATOM 0 HZ3 LYS A 13 1.289 0.249 -28.178 1.00 72.40 H new ATOM 178 N VAL A 14 -4.484 3.450 -31.081 1.00 24.13 N ATOM 179 CA VAL A 14 -5.387 4.015 -32.083 1.00 3.22 C ATOM 180 C VAL A 14 -5.487 5.508 -31.842 1.00 23.41 C ATOM 181 O VAL A 14 -5.396 6.305 -32.780 1.00 13.33 O ATOM 182 CB VAL A 14 -6.824 3.398 -31.967 1.00 54.05 C ATOM 183 CG1 VAL A 14 -7.772 4.039 -32.986 1.00 22.23 C ATOM 184 CG2 VAL A 14 -6.757 1.857 -32.161 1.00 61.15 C ATOM 0 H VAL A 14 -4.939 2.853 -30.390 1.00 24.13 H new ATOM 0 HA VAL A 14 -4.993 3.793 -33.075 1.00 3.22 H new ATOM 0 HB VAL A 14 -7.217 3.605 -30.971 1.00 54.05 H new ATOM 0 HG11 VAL A 14 -8.764 3.597 -32.889 1.00 22.23 H new ATOM 0 HG12 VAL A 14 -7.833 5.112 -32.801 1.00 22.23 H new ATOM 0 HG13 VAL A 14 -7.394 3.865 -33.994 1.00 22.23 H new ATOM 0 HG21 VAL A 14 -7.759 1.436 -32.079 1.00 61.15 H new ATOM 0 HG22 VAL A 14 -6.348 1.632 -33.146 1.00 61.15 H new ATOM 0 HG23 VAL A 14 -6.117 1.421 -31.394 1.00 61.15 H new ATOM 194 N LEU A 15 -5.607 5.888 -30.571 1.00 14.31 N ATOM 195 CA LEU A 15 -5.706 7.298 -30.191 1.00 24.41 C ATOM 196 C LEU A 15 -4.436 8.046 -30.573 1.00 24.45 C ATOM 197 O LEU A 15 -4.495 9.161 -31.064 1.00 31.24 O ATOM 198 CB LEU A 15 -5.956 7.394 -28.707 1.00 45.35 C ATOM 199 CG LEU A 15 -7.357 6.949 -28.281 1.00 32.25 C ATOM 200 CD1 LEU A 15 -7.331 6.720 -26.805 1.00 2.41 C ATOM 201 CD2 LEU A 15 -8.431 7.999 -28.635 1.00 10.43 C ATOM 0 H LEU A 15 -5.638 5.239 -29.785 1.00 14.31 H new ATOM 0 HA LEU A 15 -6.537 7.759 -30.726 1.00 24.41 H new ATOM 0 HB2 LEU A 15 -5.218 6.785 -28.185 1.00 45.35 H new ATOM 0 HB3 LEU A 15 -5.801 8.425 -28.389 1.00 45.35 H new ATOM 0 HG LEU A 15 -7.621 6.037 -28.816 1.00 32.25 H new ATOM 0 HD11 LEU A 15 -8.318 6.401 -26.469 1.00 2.41 H new ATOM 0 HD12 LEU A 15 -6.600 5.947 -26.570 1.00 2.41 H new ATOM 0 HD13 LEU A 15 -7.057 7.645 -26.298 1.00 2.41 H new ATOM 0 HD21 LEU A 15 -9.409 7.641 -28.314 1.00 10.43 H new ATOM 0 HD22 LEU A 15 -8.204 8.937 -28.128 1.00 10.43 H new ATOM 0 HD23 LEU A 15 -8.439 8.162 -29.713 1.00 10.43 H new ATOM 213 N CYS A 16 -3.290 7.416 -30.378 1.00 63.11 N ATOM 214 CA CYS A 16 -2.020 8.018 -30.781 1.00 71.13 C ATOM 215 C CYS A 16 -1.984 8.327 -32.301 1.00 62.23 C ATOM 216 O CYS A 16 -1.550 9.383 -32.707 1.00 41.42 O ATOM 217 CB CYS A 16 -0.858 7.092 -30.418 1.00 51.44 C ATOM 218 SG CYS A 16 -0.477 6.994 -28.649 1.00 72.44 S ATOM 0 H CYS A 16 -3.207 6.495 -29.947 1.00 63.11 H new ATOM 0 HA CYS A 16 -1.921 8.961 -30.243 1.00 71.13 H new ATOM 0 HB2 CYS A 16 -1.085 6.090 -30.781 1.00 51.44 H new ATOM 0 HB3 CYS A 16 0.033 7.428 -30.948 1.00 51.44 H new ATOM 0 HG CYS A 16 -1.406 6.317 -28.042 1.00 72.44 H new ATOM 224 N ALA A 17 -2.426 7.390 -33.129 1.00 3.31 N ATOM 225 CA ALA A 17 -2.422 7.624 -34.564 1.00 72.10 C ATOM 226 C ALA A 17 -3.397 8.718 -34.946 1.00 72.43 C ATOM 227 O ALA A 17 -3.116 9.560 -35.812 1.00 64.32 O ATOM 228 CB ALA A 17 -2.741 6.334 -35.308 1.00 52.31 C ATOM 0 H ALA A 17 -2.784 6.480 -32.839 1.00 3.31 H new ATOM 0 HA ALA A 17 -1.424 7.957 -34.851 1.00 72.10 H new ATOM 0 HB1 ALA A 17 -2.735 6.522 -36.382 1.00 52.31 H new ATOM 0 HB2 ALA A 17 -1.991 5.580 -35.068 1.00 52.31 H new ATOM 0 HB3 ALA A 17 -3.725 5.975 -35.008 1.00 52.31 H new ATOM 234 N LEU A 18 -4.547 8.735 -34.286 1.00 62.25 N ATOM 235 CA LEU A 18 -5.552 9.759 -34.563 1.00 53.41 C ATOM 236 C LEU A 18 -5.074 11.158 -34.140 1.00 61.22 C ATOM 237 O LEU A 18 -5.359 12.147 -34.786 1.00 22.44 O ATOM 238 CB LEU A 18 -6.866 9.429 -33.839 1.00 73.04 C ATOM 239 CG LEU A 18 -7.679 8.261 -34.442 1.00 34.42 C ATOM 240 CD1 LEU A 18 -8.958 8.074 -33.611 1.00 31.13 C ATOM 241 CD2 LEU A 18 -8.017 8.554 -35.886 1.00 53.42 C ATOM 0 H LEU A 18 -4.808 8.063 -33.564 1.00 62.25 H new ATOM 0 HA LEU A 18 -5.717 9.766 -35.640 1.00 53.41 H new ATOM 0 HB2 LEU A 18 -6.639 9.193 -32.799 1.00 73.04 H new ATOM 0 HB3 LEU A 18 -7.492 10.321 -33.834 1.00 73.04 H new ATOM 0 HG LEU A 18 -7.092 7.343 -34.415 1.00 34.42 H new ATOM 0 HD11 LEU A 18 -9.543 7.253 -34.024 1.00 31.13 H new ATOM 0 HD12 LEU A 18 -8.691 7.846 -32.579 1.00 31.13 H new ATOM 0 HD13 LEU A 18 -9.548 8.990 -33.640 1.00 31.13 H new ATOM 0 HD21 LEU A 18 -8.590 7.725 -36.301 1.00 53.42 H new ATOM 0 HD22 LEU A 18 -8.608 9.468 -35.943 1.00 53.42 H new ATOM 0 HD23 LEU A 18 -7.097 8.681 -36.457 1.00 53.42 H new ATOM 253 N TYR A 19 -4.267 11.224 -33.084 1.00 42.24 N ATOM 254 CA TYR A 19 -3.676 12.501 -32.693 1.00 12.42 C ATOM 255 C TYR A 19 -2.785 13.011 -33.838 1.00 53.10 C ATOM 256 O TYR A 19 -2.828 14.192 -34.175 1.00 3.42 O ATOM 257 CB TYR A 19 -2.814 12.337 -31.430 1.00 73.43 C ATOM 258 CG TYR A 19 -3.512 12.553 -30.097 1.00 2.43 C ATOM 259 CD1 TYR A 19 -4.787 11.986 -29.824 1.00 13.13 C ATOM 260 CD2 TYR A 19 -2.883 13.304 -29.073 1.00 73.21 C ATOM 261 CE1 TYR A 19 -5.396 12.152 -28.553 1.00 33.51 C ATOM 262 CE2 TYR A 19 -3.507 13.462 -27.797 1.00 30.12 C ATOM 263 CZ TYR A 19 -4.743 12.887 -27.556 1.00 3.45 C ATOM 264 OH TYR A 19 -5.320 13.057 -26.316 1.00 50.23 O ATOM 0 H TYR A 19 -4.012 10.430 -32.497 1.00 42.24 H new ATOM 0 HA TYR A 19 -4.478 13.209 -32.485 1.00 12.42 H new ATOM 0 HB2 TYR A 19 -2.391 11.332 -31.434 1.00 73.43 H new ATOM 0 HB3 TYR A 19 -1.979 13.035 -31.494 1.00 73.43 H new ATOM 0 HD1 TYR A 19 -5.297 11.423 -30.592 1.00 13.13 H new ATOM 0 HD2 TYR A 19 -1.922 13.762 -29.259 1.00 73.21 H new ATOM 0 HE1 TYR A 19 -6.362 11.712 -28.355 1.00 33.51 H new ATOM 0 HE2 TYR A 19 -3.015 14.030 -27.021 1.00 30.12 H new ATOM 0 HH TYR A 19 -4.726 13.593 -25.750 1.00 50.23 H new ATOM 274 N ALA A 20 -1.995 12.121 -34.445 1.00 53.10 N ATOM 275 CA ALA A 20 -1.064 12.524 -35.477 1.00 24.21 C ATOM 276 C ALA A 20 -1.749 13.097 -36.720 1.00 73.42 C ATOM 277 O ALA A 20 -1.295 14.073 -37.294 1.00 34.31 O ATOM 278 CB ALA A 20 -0.179 11.318 -35.900 1.00 21.34 C ATOM 0 H ALA A 20 -1.989 11.123 -34.234 1.00 53.10 H new ATOM 0 HA ALA A 20 -0.455 13.318 -35.044 1.00 24.21 H new ATOM 0 HB1 ALA A 20 0.518 11.633 -36.677 1.00 21.34 H new ATOM 0 HB2 ALA A 20 0.379 10.956 -35.037 1.00 21.34 H new ATOM 0 HB3 ALA A 20 -0.813 10.518 -36.283 1.00 21.34 H new ATOM 284 N GLU A 21 -2.818 12.475 -37.163 1.00 12.33 N ATOM 285 CA GLU A 21 -3.507 12.937 -38.365 1.00 62.10 C ATOM 286 C GLU A 21 -4.248 14.269 -38.148 1.00 44.42 C ATOM 287 O GLU A 21 -4.458 15.044 -39.083 1.00 64.02 O ATOM 288 CB GLU A 21 -4.507 11.886 -38.893 1.00 50.24 C ATOM 289 CG GLU A 21 -5.669 11.598 -38.001 1.00 54.22 C ATOM 290 CD GLU A 21 -6.619 10.559 -38.537 1.00 32.23 C ATOM 291 OE1 GLU A 21 -6.175 9.462 -38.865 1.00 12.25 O ATOM 292 OE2 GLU A 21 -7.825 10.883 -38.662 1.00 30.55 O ATOM 0 H GLU A 21 -3.233 11.655 -36.720 1.00 12.33 H new ATOM 0 HA GLU A 21 -2.724 13.094 -39.106 1.00 62.10 H new ATOM 0 HB2 GLU A 21 -4.887 12.224 -39.857 1.00 50.24 H new ATOM 0 HB3 GLU A 21 -3.969 10.955 -39.071 1.00 50.24 H new ATOM 0 HG2 GLU A 21 -5.295 11.266 -37.032 1.00 54.22 H new ATOM 0 HG3 GLU A 21 -6.219 12.523 -37.830 1.00 54.22 H new ATOM 299 N ILE A 22 -4.607 14.527 -36.908 1.00 40.41 N ATOM 300 CA ILE A 22 -5.305 15.744 -36.557 1.00 52.14 C ATOM 301 C ILE A 22 -4.391 16.920 -36.273 1.00 33.43 C ATOM 302 O ILE A 22 -4.667 18.042 -36.671 1.00 1.13 O ATOM 303 CB ILE A 22 -6.184 15.466 -35.317 1.00 34.32 C ATOM 304 CG1 ILE A 22 -7.307 14.485 -35.663 1.00 74.41 C ATOM 305 CG2 ILE A 22 -6.804 16.827 -34.720 1.00 30.42 C ATOM 306 CD1 ILE A 22 -8.409 15.002 -36.580 1.00 33.23 C ATOM 0 H ILE A 22 -4.425 13.904 -36.121 1.00 40.41 H new ATOM 0 HA ILE A 22 -5.903 16.029 -37.422 1.00 52.14 H new ATOM 0 HB ILE A 22 -5.546 15.020 -34.554 1.00 34.32 H new ATOM 0 HG12 ILE A 22 -6.860 13.607 -36.130 1.00 74.41 H new ATOM 0 HG13 ILE A 22 -7.767 14.152 -34.732 1.00 74.41 H new ATOM 0 HG21 ILE A 22 -7.417 16.596 -33.849 1.00 30.42 H new ATOM 0 HG22 ILE A 22 -5.996 17.497 -34.428 1.00 30.42 H new ATOM 0 HG23 ILE A 22 -7.420 17.310 -35.479 1.00 30.42 H new ATOM 0 HD11 ILE A 22 -9.142 14.213 -36.748 1.00 33.23 H new ATOM 0 HD12 ILE A 22 -8.897 15.858 -36.115 1.00 33.23 H new ATOM 0 HD13 ILE A 22 -7.977 15.305 -37.534 1.00 33.23 H new ATOM 318 N LEU A 23 -3.297 16.651 -35.582 1.00 32.33 N ATOM 319 CA LEU A 23 -2.358 17.688 -35.170 1.00 3.32 C ATOM 320 C LEU A 23 -1.291 17.933 -36.238 1.00 65.04 C ATOM 321 O LEU A 23 -0.663 18.984 -36.263 1.00 3.41 O ATOM 322 CB LEU A 23 -1.688 17.285 -33.857 1.00 54.43 C ATOM 323 CG LEU A 23 -2.667 17.136 -32.664 1.00 65.13 C ATOM 324 CD1 LEU A 23 -2.025 16.315 -31.558 1.00 21.23 C ATOM 325 CD2 LEU A 23 -3.085 18.508 -32.129 1.00 72.21 C ATOM 0 H LEU A 23 -3.032 15.710 -35.290 1.00 32.33 H new ATOM 0 HA LEU A 23 -2.917 18.613 -35.032 1.00 3.32 H new ATOM 0 HB2 LEU A 23 -1.165 16.340 -34.004 1.00 54.43 H new ATOM 0 HB3 LEU A 23 -0.934 18.030 -33.603 1.00 54.43 H new ATOM 0 HG LEU A 23 -3.560 16.619 -33.016 1.00 65.13 H new ATOM 0 HD11 LEU A 23 -2.722 16.217 -30.726 1.00 21.23 H new ATOM 0 HD12 LEU A 23 -1.774 15.325 -31.939 1.00 21.23 H new ATOM 0 HD13 LEU A 23 -1.118 16.813 -31.215 1.00 21.23 H new ATOM 0 HD21 LEU A 23 -3.772 18.379 -31.293 1.00 72.21 H new ATOM 0 HD22 LEU A 23 -2.202 19.052 -31.793 1.00 72.21 H new ATOM 0 HD23 LEU A 23 -3.579 19.072 -32.920 1.00 72.21 H new ATOM 337 N GLY A 24 -1.111 16.969 -37.137 1.00 50.04 N ATOM 338 CA GLY A 24 -0.148 17.099 -38.226 1.00 32.40 C ATOM 339 C GLY A 24 1.282 16.891 -37.797 1.00 20.33 C ATOM 340 O GLY A 24 2.207 17.409 -38.438 1.00 11.51 O ATOM 0 H GLY A 24 -1.622 16.086 -37.132 1.00 50.04 H new ATOM 0 HA2 GLY A 24 -0.393 16.377 -39.005 1.00 32.40 H new ATOM 0 HA3 GLY A 24 -0.245 18.090 -38.669 1.00 32.40 H new ATOM 344 N VAL A 25 1.488 16.170 -36.702 1.00 24.15 N ATOM 345 CA VAL A 25 2.838 15.993 -36.156 1.00 63.21 C ATOM 346 C VAL A 25 3.457 14.658 -36.584 1.00 43.42 C ATOM 347 O VAL A 25 2.756 13.716 -36.974 1.00 51.43 O ATOM 348 CB VAL A 25 2.827 16.088 -34.595 1.00 23.42 C ATOM 349 CG1 VAL A 25 2.440 17.486 -34.158 1.00 0.25 C ATOM 350 CG2 VAL A 25 1.871 15.069 -33.980 1.00 75.33 C ATOM 0 H VAL A 25 0.751 15.701 -36.176 1.00 24.15 H new ATOM 0 HA VAL A 25 3.450 16.799 -36.561 1.00 63.21 H new ATOM 0 HB VAL A 25 3.834 15.864 -34.242 1.00 23.42 H new ATOM 0 HG11 VAL A 25 2.436 17.539 -33.069 1.00 0.25 H new ATOM 0 HG12 VAL A 25 3.159 18.203 -34.554 1.00 0.25 H new ATOM 0 HG13 VAL A 25 1.446 17.723 -34.536 1.00 0.25 H new ATOM 0 HG21 VAL A 25 1.888 15.163 -32.894 1.00 75.33 H new ATOM 0 HG22 VAL A 25 0.860 15.253 -34.344 1.00 75.33 H new ATOM 0 HG23 VAL A 25 2.181 14.063 -34.262 1.00 75.33 H new ATOM 360 N GLU A 26 4.779 14.614 -36.542 1.00 32.23 N ATOM 361 CA GLU A 26 5.540 13.465 -37.023 1.00 64.34 C ATOM 362 C GLU A 26 5.292 12.206 -36.197 1.00 73.14 C ATOM 363 O GLU A 26 5.209 11.087 -36.725 1.00 11.42 O ATOM 364 CB GLU A 26 7.024 13.808 -36.955 1.00 63.40 C ATOM 365 CG GLU A 26 7.940 12.805 -37.664 1.00 35.00 C ATOM 366 CD GLU A 26 9.386 13.028 -37.266 1.00 41.24 C ATOM 367 OE1 GLU A 26 9.716 12.744 -36.087 1.00 32.33 O ATOM 368 OE2 GLU A 26 10.204 13.455 -38.105 1.00 44.11 O ATOM 0 H GLU A 26 5.357 15.370 -36.175 1.00 32.23 H new ATOM 0 HA GLU A 26 5.217 13.256 -38.043 1.00 64.34 H new ATOM 0 HB2 GLU A 26 7.177 14.794 -37.394 1.00 63.40 H new ATOM 0 HB3 GLU A 26 7.321 13.876 -35.908 1.00 63.40 H new ATOM 0 HG2 GLU A 26 7.640 11.788 -37.410 1.00 35.00 H new ATOM 0 HG3 GLU A 26 7.834 12.908 -38.744 1.00 35.00 H new ATOM 375 N ARG A 27 5.223 12.392 -34.891 1.00 3.44 N ATOM 376 CA ARG A 27 5.052 11.283 -33.941 1.00 34.21 C ATOM 377 C ARG A 27 4.188 11.736 -32.786 1.00 74.32 C ATOM 378 O ARG A 27 4.065 12.935 -32.549 1.00 34.44 O ATOM 379 CB ARG A 27 6.415 10.868 -33.388 1.00 1.15 C ATOM 380 CG ARG A 27 7.197 9.931 -34.314 1.00 52.12 C ATOM 381 CD ARG A 27 8.585 9.674 -33.764 1.00 73.33 C ATOM 382 NE ARG A 27 9.516 10.755 -34.090 1.00 70.04 N ATOM 383 CZ ARG A 27 10.662 11.037 -33.473 1.00 52.13 C ATOM 384 NH1 ARG A 27 11.091 10.363 -32.438 1.00 12.41 N ATOM 385 NH2 ARG A 27 11.394 12.016 -33.924 1.00 53.34 N ATOM 0 H ARG A 27 5.283 13.310 -34.450 1.00 3.44 H new ATOM 0 HA ARG A 27 4.584 10.444 -34.455 1.00 34.21 H new ATOM 0 HB2 ARG A 27 7.010 11.763 -33.204 1.00 1.15 H new ATOM 0 HB3 ARG A 27 6.272 10.377 -32.425 1.00 1.15 H new ATOM 0 HG2 ARG A 27 6.662 8.987 -34.421 1.00 52.12 H new ATOM 0 HG3 ARG A 27 7.270 10.371 -35.309 1.00 52.12 H new ATOM 0 HD2 ARG A 27 8.530 9.558 -32.682 1.00 73.33 H new ATOM 0 HD3 ARG A 27 8.966 8.735 -34.166 1.00 73.33 H new ATOM 0 HE ARG A 27 9.260 11.356 -34.873 1.00 70.04 H new ATOM 0 HH11 ARG A 27 10.541 9.586 -32.072 1.00 12.41 H new ATOM 0 HH12 ARG A 27 11.976 10.614 -31.997 1.00 12.41 H new ATOM 0 HH21 ARG A 27 11.086 12.551 -34.736 1.00 53.34 H new ATOM 0 HH22 ARG A 27 12.275 12.247 -33.465 1.00 53.34 H new ATOM 399 N VAL A 28 3.607 10.752 -32.072 1.00 54.44 N ATOM 400 CA VAL A 28 2.810 11.022 -30.894 1.00 21.33 C ATOM 401 C VAL A 28 3.235 10.048 -29.811 1.00 52.32 C ATOM 402 O VAL A 28 3.249 8.827 -30.013 1.00 71.22 O ATOM 403 CB VAL A 28 1.282 10.783 -31.163 1.00 23.53 C ATOM 404 CG1 VAL A 28 0.433 11.099 -29.919 1.00 4.45 C ATOM 405 CG2 VAL A 28 0.800 11.644 -32.332 1.00 3.03 C ATOM 0 H VAL A 28 3.685 9.762 -32.305 1.00 54.44 H new ATOM 0 HA VAL A 28 2.961 12.062 -30.606 1.00 21.33 H new ATOM 0 HB VAL A 28 1.160 9.728 -31.410 1.00 23.53 H new ATOM 0 HG11 VAL A 28 -0.619 10.922 -30.142 1.00 4.45 H new ATOM 0 HG12 VAL A 28 0.742 10.456 -29.095 1.00 4.45 H new ATOM 0 HG13 VAL A 28 0.574 12.143 -29.638 1.00 4.45 H new ATOM 0 HG21 VAL A 28 -0.261 11.464 -32.503 1.00 3.03 H new ATOM 0 HG22 VAL A 28 0.956 12.697 -32.097 1.00 3.03 H new ATOM 0 HG23 VAL A 28 1.361 11.385 -33.230 1.00 3.03 H new ATOM 415 N GLY A 29 3.600 10.579 -28.663 1.00 3.22 N ATOM 416 CA GLY A 29 3.957 9.765 -27.527 1.00 65.24 C ATOM 417 C GLY A 29 2.717 9.468 -26.722 1.00 25.14 C ATOM 418 O GLY A 29 1.712 10.169 -26.815 1.00 14.12 O ATOM 0 H GLY A 29 3.657 11.583 -28.494 1.00 3.22 H new ATOM 0 HA2 GLY A 29 4.420 8.836 -27.861 1.00 65.24 H new ATOM 0 HA3 GLY A 29 4.691 10.283 -26.909 1.00 65.24 H new ATOM 422 N VAL A 30 2.769 8.445 -25.875 1.00 73.33 N ATOM 423 CA VAL A 30 1.589 8.068 -25.071 1.00 44.20 C ATOM 424 C VAL A 30 1.231 9.138 -24.042 1.00 21.31 C ATOM 425 O VAL A 30 0.137 9.139 -23.488 1.00 54.34 O ATOM 426 CB VAL A 30 1.769 6.704 -24.372 1.00 60.32 C ATOM 427 CG1 VAL A 30 1.703 5.565 -25.383 1.00 41.04 C ATOM 428 CG2 VAL A 30 3.103 6.665 -23.572 1.00 53.11 C ATOM 0 H VAL A 30 3.594 7.866 -25.722 1.00 73.33 H new ATOM 0 HA VAL A 30 0.763 7.981 -25.777 1.00 44.20 H new ATOM 0 HB VAL A 30 0.950 6.573 -23.665 1.00 60.32 H new ATOM 0 HG11 VAL A 30 1.832 4.613 -24.868 1.00 41.04 H new ATOM 0 HG12 VAL A 30 0.735 5.578 -25.883 1.00 41.04 H new ATOM 0 HG13 VAL A 30 2.495 5.688 -26.122 1.00 41.04 H new ATOM 0 HG21 VAL A 30 3.209 5.694 -23.088 1.00 53.11 H new ATOM 0 HG22 VAL A 30 3.940 6.824 -24.252 1.00 53.11 H new ATOM 0 HG23 VAL A 30 3.096 7.449 -22.815 1.00 53.11 H new ATOM 438 N ASP A 31 2.158 10.044 -23.795 1.00 32.43 N ATOM 439 CA ASP A 31 1.951 11.096 -22.804 1.00 62.45 C ATOM 440 C ASP A 31 2.002 12.486 -23.444 1.00 63.33 C ATOM 441 O ASP A 31 2.212 13.489 -22.769 1.00 44.34 O ATOM 442 CB ASP A 31 3.014 10.971 -21.723 1.00 13.22 C ATOM 443 CG ASP A 31 2.399 10.752 -20.328 1.00 44.45 C ATOM 444 OD1 ASP A 31 1.396 11.413 -19.993 1.00 12.53 O ATOM 445 OD2 ASP A 31 2.870 9.815 -19.613 1.00 61.14 O ATOM 0 H ASP A 31 3.063 10.077 -24.264 1.00 32.43 H new ATOM 0 HA ASP A 31 0.960 10.977 -22.366 1.00 62.45 H new ATOM 0 HB2 ASP A 31 3.677 10.139 -21.961 1.00 13.22 H new ATOM 0 HB3 ASP A 31 3.626 11.873 -21.711 1.00 13.22 H new ATOM 450 N ASP A 32 1.834 12.545 -24.760 1.00 3.13 N ATOM 451 CA ASP A 32 1.969 13.830 -25.463 1.00 71.41 C ATOM 452 C ASP A 32 0.738 14.684 -25.226 1.00 10.20 C ATOM 453 O ASP A 32 -0.389 14.180 -25.245 1.00 70.13 O ATOM 454 CB ASP A 32 2.182 13.642 -26.969 1.00 32.14 C ATOM 455 CG ASP A 32 3.614 13.931 -27.380 1.00 73.22 C ATOM 456 OD1 ASP A 32 4.228 14.863 -26.822 1.00 13.14 O ATOM 457 OD2 ASP A 32 4.136 13.185 -28.237 1.00 21.32 O ATOM 0 H ASP A 32 1.610 11.747 -25.354 1.00 3.13 H new ATOM 0 HA ASP A 32 2.850 14.330 -25.061 1.00 71.41 H new ATOM 0 HB2 ASP A 32 1.924 12.620 -27.247 1.00 32.14 H new ATOM 0 HB3 ASP A 32 1.508 14.301 -27.516 1.00 32.14 H new ATOM 462 N ALA A 33 0.955 15.966 -24.966 1.00 64.45 N ATOM 463 CA ALA A 33 -0.137 16.883 -24.677 1.00 3.13 C ATOM 464 C ALA A 33 -0.756 17.406 -25.965 1.00 20.40 C ATOM 465 O ALA A 33 -0.114 18.136 -26.711 1.00 14.11 O ATOM 466 CB ALA A 33 0.399 18.056 -23.828 1.00 21.32 C ATOM 0 H ALA A 33 1.880 16.395 -24.950 1.00 64.45 H new ATOM 0 HA ALA A 33 -0.911 16.353 -24.122 1.00 3.13 H new ATOM 0 HB1 ALA A 33 -0.414 18.747 -23.608 1.00 21.32 H new ATOM 0 HB2 ALA A 33 0.811 17.671 -22.895 1.00 21.32 H new ATOM 0 HB3 ALA A 33 1.179 18.579 -24.381 1.00 21.32 H new ATOM 472 N PHE A 34 -2.015 17.073 -26.176 1.00 33.40 N ATOM 473 CA PHE A 34 -2.735 17.485 -27.378 1.00 4.41 C ATOM 474 C PHE A 34 -2.621 18.990 -27.639 1.00 14.14 C ATOM 475 O PHE A 34 -2.448 19.405 -28.768 1.00 14.05 O ATOM 476 CB PHE A 34 -4.212 17.080 -27.251 1.00 15.44 C ATOM 477 CG PHE A 34 -5.035 17.369 -28.490 1.00 32.44 C ATOM 478 CD1 PHE A 34 -5.694 18.607 -28.648 1.00 13.23 C ATOM 479 CD2 PHE A 34 -5.177 16.398 -29.505 1.00 3.10 C ATOM 480 CE1 PHE A 34 -6.501 18.877 -29.797 1.00 41.24 C ATOM 481 CE2 PHE A 34 -5.981 16.659 -30.665 1.00 20.30 C ATOM 482 CZ PHE A 34 -6.638 17.903 -30.803 1.00 71.32 C ATOM 0 H PHE A 34 -2.569 16.514 -25.528 1.00 33.40 H new ATOM 0 HA PHE A 34 -2.279 16.979 -28.229 1.00 4.41 H new ATOM 0 HB2 PHE A 34 -4.269 16.014 -27.029 1.00 15.44 H new ATOM 0 HB3 PHE A 34 -4.652 17.606 -26.404 1.00 15.44 H new ATOM 0 HD1 PHE A 34 -5.587 19.365 -27.886 1.00 13.23 H new ATOM 0 HD2 PHE A 34 -4.674 15.447 -29.407 1.00 3.10 H new ATOM 0 HE1 PHE A 34 -7.005 19.827 -29.893 1.00 41.24 H new ATOM 0 HE2 PHE A 34 -6.084 15.906 -31.432 1.00 20.30 H new ATOM 0 HZ PHE A 34 -7.242 18.105 -31.676 1.00 71.32 H new ATOM 492 N HIS A 35 -2.714 19.813 -26.605 1.00 33.41 N ATOM 493 CA HIS A 35 -2.690 21.271 -26.782 1.00 71.31 C ATOM 494 C HIS A 35 -1.295 21.818 -27.107 1.00 73.25 C ATOM 495 O HIS A 35 -1.179 22.849 -27.760 1.00 14.15 O ATOM 496 CB HIS A 35 -3.263 21.977 -25.546 1.00 20.44 C ATOM 497 CG HIS A 35 -2.658 21.521 -24.260 1.00 42.42 C ATOM 498 ND1 HIS A 35 -3.301 20.731 -23.339 1.00 75.44 N ATOM 499 CD2 HIS A 35 -1.433 21.774 -23.711 1.00 21.30 C ATOM 500 CE1 HIS A 35 -2.471 20.548 -22.304 1.00 1.41 C ATOM 501 NE2 HIS A 35 -1.320 21.156 -22.487 1.00 60.04 N ATOM 0 H HIS A 35 -2.807 19.506 -25.637 1.00 33.41 H new ATOM 0 HA HIS A 35 -3.319 21.484 -27.646 1.00 71.31 H new ATOM 0 HB2 HIS A 35 -3.110 23.051 -25.649 1.00 20.44 H new ATOM 0 HB3 HIS A 35 -4.340 21.811 -25.510 1.00 20.44 H new ATOM 0 HD2 HIS A 35 -0.663 22.374 -24.172 1.00 21.30 H new ATOM 0 HE1 HIS A 35 -2.718 19.971 -21.425 1.00 1.41 H new ATOM 0 HE2 HIS A 35 -0.517 21.167 -21.858 1.00 60.04 H new ATOM 509 N ASP A 36 -0.242 21.149 -26.656 1.00 43.53 N ATOM 510 CA ASP A 36 1.134 21.648 -26.847 1.00 55.35 C ATOM 511 C ASP A 36 1.541 21.406 -28.292 1.00 31.10 C ATOM 512 O ASP A 36 2.196 22.211 -28.917 1.00 63.40 O ATOM 513 CB ASP A 36 2.096 20.918 -25.918 1.00 32.23 C ATOM 514 CG ASP A 36 3.466 21.579 -25.859 1.00 13.44 C ATOM 515 OD1 ASP A 36 3.504 22.777 -25.505 1.00 44.22 O ATOM 516 OD2 ASP A 36 4.494 20.906 -26.091 1.00 14.04 O ATOM 0 H ASP A 36 -0.303 20.262 -26.156 1.00 43.53 H new ATOM 0 HA ASP A 36 1.170 22.713 -26.617 1.00 55.35 H new ATOM 0 HB2 ASP A 36 1.670 20.882 -24.915 1.00 32.23 H new ATOM 0 HB3 ASP A 36 2.208 19.887 -26.254 1.00 32.23 H new ATOM 521 N LEU A 37 1.055 20.298 -28.827 1.00 11.23 N ATOM 522 CA LEU A 37 1.290 19.883 -30.201 1.00 21.15 C ATOM 523 C LEU A 37 0.446 20.691 -31.216 1.00 71.51 C ATOM 524 O LEU A 37 0.136 20.222 -32.304 1.00 55.12 O ATOM 525 CB LEU A 37 0.972 18.380 -30.290 1.00 61.41 C ATOM 526 CG LEU A 37 2.114 17.392 -30.013 1.00 61.25 C ATOM 527 CD1 LEU A 37 2.767 17.560 -28.647 1.00 54.54 C ATOM 528 CD2 LEU A 37 1.560 15.967 -30.116 1.00 50.11 C ATOM 0 H LEU A 37 0.471 19.645 -28.304 1.00 11.23 H new ATOM 0 HA LEU A 37 2.330 20.076 -30.464 1.00 21.15 H new ATOM 0 HB2 LEU A 37 0.165 18.166 -29.589 1.00 61.41 H new ATOM 0 HB3 LEU A 37 0.588 18.177 -31.290 1.00 61.41 H new ATOM 0 HG LEU A 37 2.887 17.593 -30.755 1.00 61.25 H new ATOM 0 HD11 LEU A 37 3.563 16.824 -28.531 1.00 54.54 H new ATOM 0 HD12 LEU A 37 3.185 18.563 -28.565 1.00 54.54 H new ATOM 0 HD13 LEU A 37 2.021 17.413 -27.866 1.00 54.54 H new ATOM 0 HD21 LEU A 37 2.359 15.251 -29.922 1.00 50.11 H new ATOM 0 HD22 LEU A 37 0.765 15.832 -29.382 1.00 50.11 H new ATOM 0 HD23 LEU A 37 1.161 15.803 -31.117 1.00 50.11 H new ATOM 540 N GLY A 38 0.044 21.898 -30.836 1.00 65.14 N ATOM 541 CA GLY A 38 -0.723 22.752 -31.722 1.00 2.40 C ATOM 542 C GLY A 38 -2.228 22.529 -31.629 1.00 41.41 C ATOM 543 O GLY A 38 -3.003 22.949 -32.491 1.00 25.41 O ATOM 0 H GLY A 38 0.238 22.303 -29.920 1.00 65.14 H new ATOM 0 HA2 GLY A 38 -0.503 23.794 -31.490 1.00 2.40 H new ATOM 0 HA3 GLY A 38 -0.401 22.579 -32.749 1.00 2.40 H new ATOM 547 N GLY A 39 -2.656 21.861 -30.569 1.00 52.51 N ATOM 548 CA GLY A 39 -4.066 21.562 -30.396 1.00 45.33 C ATOM 549 C GLY A 39 -4.949 22.776 -30.211 1.00 2.24 C ATOM 550 O GLY A 39 -4.540 23.821 -29.718 1.00 74.51 O ATOM 0 H GLY A 39 -2.052 21.519 -29.822 1.00 52.51 H new ATOM 0 HA2 GLY A 39 -4.415 21.004 -31.265 1.00 45.33 H new ATOM 0 HA3 GLY A 39 -4.182 20.909 -29.531 1.00 45.33 H new ATOM 554 N SER A 40 -6.203 22.628 -30.638 1.00 60.22 N ATOM 555 CA SER A 40 -7.194 23.696 -30.566 1.00 3.53 C ATOM 556 C SER A 40 -8.537 23.077 -30.238 1.00 72.21 C ATOM 557 O SER A 40 -8.730 21.901 -30.486 1.00 24.11 O ATOM 558 CB SER A 40 -7.289 24.415 -31.916 1.00 11.31 C ATOM 559 OG SER A 40 -6.053 24.984 -32.287 1.00 33.31 O ATOM 0 H SER A 40 -6.558 21.762 -31.044 1.00 60.22 H new ATOM 0 HA SER A 40 -6.905 24.416 -29.801 1.00 3.53 H new ATOM 0 HB2 SER A 40 -7.611 23.710 -32.683 1.00 11.31 H new ATOM 0 HB3 SER A 40 -8.048 25.195 -31.861 1.00 11.31 H new ATOM 0 HG SER A 40 -6.147 25.434 -33.153 1.00 33.31 H new ATOM 565 N SER A 41 -9.481 23.865 -29.725 1.00 44.51 N ATOM 566 CA SER A 41 -10.812 23.331 -29.413 1.00 14.13 C ATOM 567 C SER A 41 -11.472 22.785 -30.682 1.00 34.33 C ATOM 568 O SER A 41 -12.153 21.768 -30.666 1.00 3.02 O ATOM 569 CB SER A 41 -11.701 24.419 -28.795 1.00 24.30 C ATOM 570 OG SER A 41 -12.967 23.898 -28.398 1.00 2.10 O ATOM 0 H SER A 41 -9.357 24.856 -29.519 1.00 44.51 H new ATOM 0 HA SER A 41 -10.695 22.522 -28.692 1.00 14.13 H new ATOM 0 HB2 SER A 41 -11.198 24.853 -27.931 1.00 24.30 H new ATOM 0 HB3 SER A 41 -11.848 25.223 -29.516 1.00 24.30 H new ATOM 0 HG SER A 41 -13.508 24.616 -28.007 1.00 2.10 H new ATOM 576 N ALA A 42 -11.233 23.447 -31.807 1.00 51.04 N ATOM 577 CA ALA A 42 -11.765 22.991 -33.084 1.00 43.21 C ATOM 578 C ALA A 42 -11.170 21.643 -33.499 1.00 64.53 C ATOM 579 O ALA A 42 -11.870 20.783 -34.041 1.00 54.24 O ATOM 580 CB ALA A 42 -11.479 24.056 -34.156 1.00 31.34 C ATOM 0 H ALA A 42 -10.676 24.299 -31.861 1.00 51.04 H new ATOM 0 HA ALA A 42 -12.841 22.848 -32.979 1.00 43.21 H new ATOM 0 HB1 ALA A 42 -11.874 23.722 -35.115 1.00 31.34 H new ATOM 0 HB2 ALA A 42 -11.957 24.994 -33.873 1.00 31.34 H new ATOM 0 HB3 ALA A 42 -10.403 24.208 -34.240 1.00 31.34 H new ATOM 586 N LEU A 43 -9.883 21.451 -33.241 1.00 24.33 N ATOM 587 CA LEU A 43 -9.219 20.208 -33.589 1.00 42.51 C ATOM 588 C LEU A 43 -9.653 19.090 -32.660 1.00 23.13 C ATOM 589 O LEU A 43 -9.746 17.953 -33.079 1.00 5.03 O ATOM 590 CB LEU A 43 -7.701 20.378 -33.520 1.00 34.13 C ATOM 591 CG LEU A 43 -7.054 21.377 -34.504 1.00 71.22 C ATOM 592 CD1 LEU A 43 -5.569 21.412 -34.297 1.00 63.24 C ATOM 593 CD2 LEU A 43 -7.323 21.018 -35.963 1.00 20.12 C ATOM 0 H LEU A 43 -9.281 22.141 -32.792 1.00 24.33 H new ATOM 0 HA LEU A 43 -9.502 19.946 -34.608 1.00 42.51 H new ATOM 0 HB2 LEU A 43 -7.442 20.687 -32.507 1.00 34.13 H new ATOM 0 HB3 LEU A 43 -7.245 19.402 -33.682 1.00 34.13 H new ATOM 0 HG LEU A 43 -7.501 22.350 -34.299 1.00 71.22 H new ATOM 0 HD11 LEU A 43 -5.121 22.119 -34.995 1.00 63.24 H new ATOM 0 HD12 LEU A 43 -5.351 21.723 -33.275 1.00 63.24 H new ATOM 0 HD13 LEU A 43 -5.154 20.419 -34.470 1.00 63.24 H new ATOM 0 HD21 LEU A 43 -6.846 21.752 -36.612 1.00 20.12 H new ATOM 0 HD22 LEU A 43 -6.918 20.029 -36.175 1.00 20.12 H new ATOM 0 HD23 LEU A 43 -8.398 21.016 -36.145 1.00 20.12 H new ATOM 605 N ALA A 44 -9.991 19.429 -31.424 1.00 43.44 N ATOM 606 CA ALA A 44 -10.512 18.441 -30.492 1.00 20.31 C ATOM 607 C ALA A 44 -11.845 17.886 -31.015 1.00 15.54 C ATOM 608 O ALA A 44 -12.084 16.703 -30.999 1.00 44.24 O ATOM 609 CB ALA A 44 -10.685 19.073 -29.113 1.00 32.33 C ATOM 0 H ALA A 44 -9.914 20.373 -31.046 1.00 43.44 H new ATOM 0 HA ALA A 44 -9.808 17.614 -30.404 1.00 20.31 H new ATOM 0 HB1 ALA A 44 -11.075 18.329 -28.418 1.00 32.33 H new ATOM 0 HB2 ALA A 44 -9.721 19.434 -28.754 1.00 32.33 H new ATOM 0 HB3 ALA A 44 -11.382 19.908 -29.180 1.00 32.33 H new ATOM 615 N MET A 45 -12.688 18.754 -31.541 1.00 3.22 N ATOM 616 CA MET A 45 -13.955 18.322 -32.112 1.00 44.14 C ATOM 617 C MET A 45 -13.723 17.412 -33.335 1.00 21.30 C ATOM 618 O MET A 45 -14.453 16.431 -33.558 1.00 31.44 O ATOM 619 CB MET A 45 -14.820 19.513 -32.517 1.00 43.42 C ATOM 620 CG MET A 45 -15.350 20.312 -31.316 1.00 55.20 C ATOM 621 SD MET A 45 -16.493 19.364 -30.246 1.00 42.22 S ATOM 622 CE MET A 45 -17.976 19.158 -31.314 1.00 41.02 C ATOM 0 H MET A 45 -12.522 19.759 -31.586 1.00 3.22 H new ATOM 0 HA MET A 45 -14.481 17.759 -31.341 1.00 44.14 H new ATOM 0 HB2 MET A 45 -14.238 20.175 -33.158 1.00 43.42 H new ATOM 0 HB3 MET A 45 -15.663 19.157 -33.109 1.00 43.42 H new ATOM 0 HG2 MET A 45 -14.506 20.654 -30.717 1.00 55.20 H new ATOM 0 HG3 MET A 45 -15.863 21.202 -31.681 1.00 55.20 H new ATOM 0 HE1 MET A 45 -18.771 18.676 -30.744 1.00 41.02 H new ATOM 0 HE2 MET A 45 -18.316 20.135 -31.657 1.00 41.02 H new ATOM 0 HE3 MET A 45 -17.721 18.540 -32.175 1.00 41.02 H new ATOM 632 N ARG A 46 -12.696 17.719 -34.110 1.00 22.50 N ATOM 633 CA ARG A 46 -12.319 16.897 -35.262 1.00 21.21 C ATOM 634 C ARG A 46 -11.808 15.541 -34.840 1.00 62.11 C ATOM 635 O ARG A 46 -12.126 14.541 -35.442 1.00 23.12 O ATOM 636 CB ARG A 46 -11.267 17.631 -36.090 1.00 30.34 C ATOM 637 CG ARG A 46 -11.830 18.667 -37.006 1.00 65.11 C ATOM 638 CD ARG A 46 -10.664 19.363 -37.637 1.00 0.35 C ATOM 639 NE ARG A 46 -11.080 20.116 -38.829 1.00 42.15 N ATOM 640 CZ ARG A 46 -10.246 20.833 -39.591 1.00 42.15 C ATOM 641 NH1 ARG A 46 -8.956 20.938 -39.334 1.00 22.25 N ATOM 642 NH2 ARG A 46 -10.715 21.449 -40.647 1.00 25.14 N ATOM 0 H ARG A 46 -12.102 18.535 -33.966 1.00 22.50 H new ATOM 0 HA ARG A 46 -13.210 16.731 -35.868 1.00 21.21 H new ATOM 0 HB2 ARG A 46 -10.555 18.106 -35.415 1.00 30.34 H new ATOM 0 HB3 ARG A 46 -10.711 16.903 -36.680 1.00 30.34 H new ATOM 0 HG2 ARG A 46 -12.464 18.209 -37.765 1.00 65.11 H new ATOM 0 HG3 ARG A 46 -12.451 19.374 -36.456 1.00 65.11 H new ATOM 0 HD2 ARG A 46 -10.207 20.041 -36.916 1.00 0.35 H new ATOM 0 HD3 ARG A 46 -9.905 18.631 -37.912 1.00 0.35 H new ATOM 0 HE ARG A 46 -12.065 20.090 -39.091 1.00 42.15 H new ATOM 0 HH11 ARG A 46 -8.557 20.461 -38.526 1.00 22.25 H new ATOM 0 HH12 ARG A 46 -8.358 21.496 -39.944 1.00 22.25 H new ATOM 0 HH21 ARG A 46 -11.705 21.379 -40.880 1.00 25.14 H new ATOM 0 HH22 ARG A 46 -10.090 21.999 -41.236 1.00 25.14 H new ATOM 656 N LEU A 47 -11.004 15.515 -33.794 1.00 73.30 N ATOM 657 CA LEU A 47 -10.457 14.258 -33.256 1.00 41.41 C ATOM 658 C LEU A 47 -11.592 13.329 -32.827 1.00 40.53 C ATOM 659 O LEU A 47 -11.594 12.157 -33.136 1.00 40.34 O ATOM 660 CB LEU A 47 -9.550 14.536 -32.069 1.00 33.13 C ATOM 661 CG LEU A 47 -8.910 13.324 -31.402 1.00 71.31 C ATOM 662 CD1 LEU A 47 -7.878 12.661 -32.271 1.00 43.10 C ATOM 663 CD2 LEU A 47 -8.252 13.749 -30.120 1.00 11.45 C ATOM 0 H LEU A 47 -10.707 16.350 -33.289 1.00 73.30 H new ATOM 0 HA LEU A 47 -9.874 13.775 -34.041 1.00 41.41 H new ATOM 0 HB2 LEU A 47 -8.754 15.204 -32.397 1.00 33.13 H new ATOM 0 HB3 LEU A 47 -10.128 15.074 -31.317 1.00 33.13 H new ATOM 0 HG LEU A 47 -9.707 12.603 -31.218 1.00 71.31 H new ATOM 0 HD11 LEU A 47 -7.456 11.805 -31.745 1.00 43.10 H new ATOM 0 HD12 LEU A 47 -8.344 12.325 -33.197 1.00 43.10 H new ATOM 0 HD13 LEU A 47 -7.085 13.372 -32.501 1.00 43.10 H new ATOM 0 HD21 LEU A 47 -7.794 12.883 -29.642 1.00 11.45 H new ATOM 0 HD22 LEU A 47 -7.485 14.493 -30.334 1.00 11.45 H new ATOM 0 HD23 LEU A 47 -8.999 14.179 -29.453 1.00 11.45 H new ATOM 675 N ILE A 48 -12.574 13.875 -32.122 1.00 0.21 N ATOM 676 CA ILE A 48 -13.718 13.096 -31.661 1.00 74.24 C ATOM 677 C ILE A 48 -14.462 12.487 -32.843 1.00 72.03 C ATOM 678 O ILE A 48 -14.920 11.353 -32.775 1.00 41.20 O ATOM 679 CB ILE A 48 -14.684 13.993 -30.838 1.00 65.31 C ATOM 680 CG1 ILE A 48 -14.003 14.389 -29.514 1.00 43.22 C ATOM 681 CG2 ILE A 48 -16.020 13.258 -30.545 1.00 52.21 C ATOM 682 CD1 ILE A 48 -14.609 15.636 -28.856 1.00 31.32 C ATOM 0 H ILE A 48 -12.602 14.859 -31.855 1.00 0.21 H new ATOM 0 HA ILE A 48 -13.350 12.291 -31.025 1.00 74.24 H new ATOM 0 HB ILE A 48 -14.912 14.885 -31.421 1.00 65.31 H new ATOM 0 HG12 ILE A 48 -14.070 13.553 -28.818 1.00 43.22 H new ATOM 0 HG13 ILE A 48 -12.944 14.566 -29.700 1.00 43.22 H new ATOM 0 HG21 ILE A 48 -16.675 13.910 -29.968 1.00 52.21 H new ATOM 0 HG22 ILE A 48 -16.505 12.996 -31.485 1.00 52.21 H new ATOM 0 HG23 ILE A 48 -15.819 12.350 -29.976 1.00 52.21 H new ATOM 0 HD11 ILE A 48 -14.078 15.853 -27.929 1.00 31.32 H new ATOM 0 HD12 ILE A 48 -14.518 16.485 -29.533 1.00 31.32 H new ATOM 0 HD13 ILE A 48 -15.662 15.457 -28.638 1.00 31.32 H new ATOM 694 N ALA A 49 -14.542 13.216 -33.938 1.00 65.24 N ATOM 695 CA ALA A 49 -15.199 12.702 -35.112 1.00 64.21 C ATOM 696 C ALA A 49 -14.487 11.458 -35.642 1.00 33.25 C ATOM 697 O ALA A 49 -15.142 10.483 -35.982 1.00 1.21 O ATOM 698 CB ALA A 49 -15.260 13.795 -36.215 1.00 3.10 C ATOM 0 H ALA A 49 -14.162 14.158 -34.035 1.00 65.24 H new ATOM 0 HA ALA A 49 -16.214 12.419 -34.834 1.00 64.21 H new ATOM 0 HB1 ALA A 49 -15.759 13.394 -37.097 1.00 3.10 H new ATOM 0 HB2 ALA A 49 -15.816 14.656 -35.844 1.00 3.10 H new ATOM 0 HB3 ALA A 49 -14.248 14.103 -36.479 1.00 3.10 H new ATOM 704 N ARG A 50 -13.158 11.472 -35.675 1.00 0.12 N ATOM 705 CA ARG A 50 -12.390 10.327 -36.147 1.00 24.42 C ATOM 706 C ARG A 50 -12.511 9.134 -35.207 1.00 74.54 C ATOM 707 O ARG A 50 -12.515 8.000 -35.627 1.00 63.23 O ATOM 708 CB ARG A 50 -10.931 10.747 -36.255 1.00 70.53 C ATOM 709 CG ARG A 50 -10.674 11.925 -37.165 1.00 2.12 C ATOM 710 CD ARG A 50 -10.998 11.650 -38.625 1.00 72.23 C ATOM 711 NE ARG A 50 -11.092 12.895 -39.425 1.00 1.34 N ATOM 712 CZ ARG A 50 -10.069 13.561 -39.970 1.00 32.40 C ATOM 713 NH1 ARG A 50 -8.824 13.173 -39.866 1.00 64.53 N ATOM 714 NH2 ARG A 50 -10.330 14.667 -40.631 1.00 55.34 N ATOM 0 H ARG A 50 -12.590 12.266 -35.379 1.00 0.12 H new ATOM 0 HA ARG A 50 -12.782 10.017 -37.116 1.00 24.42 H new ATOM 0 HB2 ARG A 50 -10.563 10.990 -35.258 1.00 70.53 H new ATOM 0 HB3 ARG A 50 -10.349 9.897 -36.612 1.00 70.53 H new ATOM 0 HG2 ARG A 50 -11.267 12.773 -36.824 1.00 2.12 H new ATOM 0 HG3 ARG A 50 -9.627 12.215 -37.083 1.00 2.12 H new ATOM 0 HD2 ARG A 50 -10.229 11.005 -39.050 1.00 72.23 H new ATOM 0 HD3 ARG A 50 -11.941 11.107 -38.690 1.00 72.23 H new ATOM 0 HE ARG A 50 -12.025 13.279 -39.573 1.00 1.34 H new ATOM 0 HH11 ARG A 50 -8.596 12.324 -39.349 1.00 64.53 H new ATOM 0 HH12 ARG A 50 -8.081 13.720 -40.302 1.00 64.53 H new ATOM 0 HH21 ARG A 50 -11.292 14.995 -40.717 1.00 55.34 H new ATOM 0 HH22 ARG A 50 -9.570 15.197 -41.058 1.00 55.34 H new ATOM 728 N ILE A 51 -12.670 9.406 -33.921 1.00 22.12 N ATOM 729 CA ILE A 51 -12.847 8.336 -32.929 1.00 11.25 C ATOM 730 C ILE A 51 -14.122 7.538 -33.251 1.00 12.40 C ATOM 731 O ILE A 51 -14.193 6.330 -33.012 1.00 11.04 O ATOM 732 CB ILE A 51 -12.886 8.878 -31.470 1.00 43.30 C ATOM 733 CG1 ILE A 51 -11.501 9.444 -31.088 1.00 33.44 C ATOM 734 CG2 ILE A 51 -13.254 7.767 -30.497 1.00 11.34 C ATOM 735 CD1 ILE A 51 -11.468 10.270 -29.772 1.00 21.40 C ATOM 0 H ILE A 51 -12.681 10.349 -33.533 1.00 22.12 H new ATOM 0 HA ILE A 51 -11.981 7.678 -32.991 1.00 11.25 H new ATOM 0 HB ILE A 51 -13.638 9.665 -31.414 1.00 43.30 H new ATOM 0 HG12 ILE A 51 -10.799 8.615 -30.996 1.00 33.44 H new ATOM 0 HG13 ILE A 51 -11.145 10.074 -31.903 1.00 33.44 H new ATOM 0 HG21 ILE A 51 -13.276 8.165 -29.482 1.00 11.34 H new ATOM 0 HG22 ILE A 51 -14.236 7.370 -30.753 1.00 11.34 H new ATOM 0 HG23 ILE A 51 -12.513 6.970 -30.558 1.00 11.34 H new ATOM 0 HD11 ILE A 51 -10.453 10.624 -29.590 1.00 21.40 H new ATOM 0 HD12 ILE A 51 -12.140 11.124 -29.861 1.00 21.40 H new ATOM 0 HD13 ILE A 51 -11.788 9.642 -28.940 1.00 21.40 H new ATOM 747 N ARG A 52 -15.130 8.196 -33.820 1.00 65.31 N ATOM 748 CA ARG A 52 -16.363 7.492 -34.181 1.00 20.41 C ATOM 749 C ARG A 52 -16.144 6.500 -35.302 1.00 72.31 C ATOM 750 O ARG A 52 -16.860 5.514 -35.396 1.00 1.04 O ATOM 751 CB ARG A 52 -17.452 8.446 -34.615 1.00 13.12 C ATOM 752 CG ARG A 52 -17.747 9.508 -33.613 1.00 72.32 C ATOM 753 CD ARG A 52 -18.868 10.376 -34.136 1.00 43.11 C ATOM 754 NE ARG A 52 -19.069 11.582 -33.309 1.00 11.30 N ATOM 755 CZ ARG A 52 -19.102 12.830 -33.744 1.00 22.43 C ATOM 756 NH1 ARG A 52 -18.937 13.155 -35.009 1.00 73.14 N ATOM 757 NH2 ARG A 52 -19.297 13.767 -32.875 1.00 44.31 N ATOM 0 H ARG A 52 -15.122 9.192 -34.038 1.00 65.31 H new ATOM 0 HA ARG A 52 -16.670 6.965 -33.278 1.00 20.41 H new ATOM 0 HB2 ARG A 52 -17.160 8.915 -35.554 1.00 13.12 H new ATOM 0 HB3 ARG A 52 -18.363 7.880 -34.811 1.00 13.12 H new ATOM 0 HG2 ARG A 52 -18.030 9.060 -32.661 1.00 72.32 H new ATOM 0 HG3 ARG A 52 -16.858 10.111 -33.430 1.00 72.32 H new ATOM 0 HD2 ARG A 52 -18.648 10.673 -35.161 1.00 43.11 H new ATOM 0 HD3 ARG A 52 -19.791 9.797 -34.163 1.00 43.11 H new ATOM 0 HE ARG A 52 -19.194 11.439 -32.307 1.00 11.30 H new ATOM 0 HH11 ARG A 52 -18.775 12.428 -35.705 1.00 73.14 H new ATOM 0 HH12 ARG A 52 -18.972 14.134 -35.293 1.00 73.14 H new ATOM 0 HH21 ARG A 52 -19.419 13.532 -31.890 1.00 44.31 H new ATOM 0 HH22 ARG A 52 -19.329 14.742 -33.174 1.00 44.31 H new ATOM 771 N GLU A 53 -15.176 6.769 -36.169 1.00 73.33 N ATOM 772 CA GLU A 53 -14.896 5.877 -37.294 1.00 21.05 C ATOM 773 C GLU A 53 -14.071 4.700 -36.802 1.00 15.31 C ATOM 774 O GLU A 53 -14.288 3.569 -37.201 1.00 21.31 O ATOM 775 CB GLU A 53 -14.130 6.620 -38.399 1.00 40.52 C ATOM 776 CG GLU A 53 -14.893 7.839 -38.955 1.00 35.22 C ATOM 777 CD GLU A 53 -14.077 8.653 -39.960 1.00 31.34 C ATOM 778 OE1 GLU A 53 -13.925 8.222 -41.120 1.00 52.45 O ATOM 779 OE2 GLU A 53 -13.675 9.792 -39.606 1.00 15.24 O ATOM 0 H GLU A 53 -14.574 7.591 -36.118 1.00 73.33 H new ATOM 0 HA GLU A 53 -15.840 5.523 -37.709 1.00 21.05 H new ATOM 0 HB2 GLU A 53 -13.168 6.950 -38.006 1.00 40.52 H new ATOM 0 HB3 GLU A 53 -13.920 5.928 -39.215 1.00 40.52 H new ATOM 0 HG2 GLU A 53 -15.811 7.498 -39.434 1.00 35.22 H new ATOM 0 HG3 GLU A 53 -15.186 8.485 -38.127 1.00 35.22 H new ATOM 786 N GLU A 54 -13.133 4.985 -35.901 1.00 34.21 N ATOM 787 CA GLU A 54 -12.172 3.971 -35.434 1.00 43.22 C ATOM 788 C GLU A 54 -12.650 3.094 -34.266 1.00 4.32 C ATOM 789 O GLU A 54 -12.487 1.873 -34.275 1.00 24.25 O ATOM 790 CB GLU A 54 -10.882 4.652 -34.976 1.00 30.01 C ATOM 791 CG GLU A 54 -9.994 5.119 -36.120 1.00 4.51 C ATOM 792 CD GLU A 54 -9.330 3.959 -36.861 1.00 31.34 C ATOM 793 OE1 GLU A 54 -8.299 3.447 -36.368 1.00 71.01 O ATOM 794 OE2 GLU A 54 -9.857 3.542 -37.910 1.00 55.25 O ATOM 0 H GLU A 54 -13.013 5.905 -35.477 1.00 34.21 H new ATOM 0 HA GLU A 54 -12.033 3.318 -36.295 1.00 43.22 H new ATOM 0 HB2 GLU A 54 -11.136 5.509 -34.353 1.00 30.01 H new ATOM 0 HB3 GLU A 54 -10.319 3.959 -34.351 1.00 30.01 H new ATOM 0 HG2 GLU A 54 -10.590 5.701 -36.823 1.00 4.51 H new ATOM 0 HG3 GLU A 54 -9.224 5.784 -35.729 1.00 4.51 H new ATOM 801 N LEU A 55 -13.184 3.714 -33.224 1.00 51.43 N ATOM 802 CA LEU A 55 -13.600 2.990 -32.016 1.00 64.33 C ATOM 803 C LEU A 55 -15.127 2.825 -31.978 1.00 51.24 C ATOM 804 O LEU A 55 -15.674 2.147 -31.101 1.00 62.24 O ATOM 805 CB LEU A 55 -13.136 3.737 -30.768 1.00 31.41 C ATOM 806 CG LEU A 55 -11.634 4.070 -30.628 1.00 71.23 C ATOM 807 CD1 LEU A 55 -11.403 4.714 -29.259 1.00 74.02 C ATOM 808 CD2 LEU A 55 -10.686 2.875 -30.745 1.00 33.23 C ATOM 0 H LEU A 55 -13.343 4.721 -33.184 1.00 51.43 H new ATOM 0 HA LEU A 55 -13.141 2.002 -32.038 1.00 64.33 H new ATOM 0 HB2 LEU A 55 -13.690 4.674 -30.717 1.00 31.41 H new ATOM 0 HB3 LEU A 55 -13.428 3.146 -29.900 1.00 31.41 H new ATOM 0 HG LEU A 55 -11.402 4.731 -31.463 1.00 71.23 H new ATOM 0 HD11 LEU A 55 -10.346 4.955 -29.144 1.00 74.02 H new ATOM 0 HD12 LEU A 55 -11.994 5.626 -29.182 1.00 74.02 H new ATOM 0 HD13 LEU A 55 -11.704 4.019 -28.475 1.00 74.02 H new ATOM 0 HD21 LEU A 55 -9.656 3.215 -30.633 1.00 33.23 H new ATOM 0 HD22 LEU A 55 -10.916 2.150 -29.964 1.00 33.23 H new ATOM 0 HD23 LEU A 55 -10.809 2.407 -31.722 1.00 33.23 H new ATOM 820 N GLY A 56 -15.798 3.456 -32.937 1.00 12.43 N ATOM 821 CA GLY A 56 -17.245 3.325 -33.038 1.00 54.41 C ATOM 822 C GLY A 56 -18.049 4.014 -31.959 1.00 51.42 C ATOM 823 O GLY A 56 -19.202 3.646 -31.719 1.00 31.44 O ATOM 0 H GLY A 56 -15.370 4.054 -33.644 1.00 12.43 H new ATOM 0 HA2 GLY A 56 -17.559 3.718 -34.005 1.00 54.41 H new ATOM 0 HA3 GLY A 56 -17.496 2.264 -33.029 1.00 54.41 H new ATOM 827 N VAL A 57 -17.455 4.985 -31.284 1.00 61.53 N ATOM 828 CA VAL A 57 -18.107 5.641 -30.142 1.00 74.43 C ATOM 829 C VAL A 57 -17.892 7.146 -30.186 1.00 73.14 C ATOM 830 O VAL A 57 -16.902 7.636 -30.717 1.00 73.35 O ATOM 831 CB VAL A 57 -17.559 5.110 -28.763 1.00 30.22 C ATOM 832 CG1 VAL A 57 -17.952 3.648 -28.547 1.00 63.14 C ATOM 833 CG2 VAL A 57 -16.029 5.249 -28.675 1.00 51.13 C ATOM 0 H VAL A 57 -16.524 5.342 -31.500 1.00 61.53 H new ATOM 0 HA VAL A 57 -19.169 5.406 -30.220 1.00 74.43 H new ATOM 0 HB VAL A 57 -18.009 5.721 -27.981 1.00 30.22 H new ATOM 0 HG11 VAL A 57 -17.562 3.304 -27.589 1.00 63.14 H new ATOM 0 HG12 VAL A 57 -19.038 3.559 -28.550 1.00 63.14 H new ATOM 0 HG13 VAL A 57 -17.536 3.037 -29.348 1.00 63.14 H new ATOM 0 HG21 VAL A 57 -15.684 4.874 -27.711 1.00 51.13 H new ATOM 0 HG22 VAL A 57 -15.565 4.673 -29.476 1.00 51.13 H new ATOM 0 HG23 VAL A 57 -15.753 6.299 -28.775 1.00 51.13 H new ATOM 843 N ASP A 58 -18.801 7.873 -29.566 1.00 10.14 N ATOM 844 CA ASP A 58 -18.655 9.312 -29.420 1.00 44.23 C ATOM 845 C ASP A 58 -17.896 9.601 -28.133 1.00 55.20 C ATOM 846 O ASP A 58 -18.436 9.456 -27.035 1.00 61.51 O ATOM 847 CB ASP A 58 -20.011 10.017 -29.417 1.00 53.32 C ATOM 848 CG ASP A 58 -19.860 11.532 -29.454 1.00 75.00 C ATOM 849 OD1 ASP A 58 -19.470 12.047 -30.532 1.00 44.24 O ATOM 850 OD2 ASP A 58 -20.105 12.195 -28.431 1.00 44.14 O ATOM 0 H ASP A 58 -19.652 7.491 -29.153 1.00 10.14 H new ATOM 0 HA ASP A 58 -18.097 9.699 -30.273 1.00 44.23 H new ATOM 0 HB2 ASP A 58 -20.594 9.689 -30.278 1.00 53.32 H new ATOM 0 HB3 ASP A 58 -20.569 9.729 -28.526 1.00 53.32 H new ATOM 855 N LEU A 59 -16.639 10.017 -28.271 1.00 42.30 N ATOM 856 CA LEU A 59 -15.801 10.349 -27.111 1.00 14.10 C ATOM 857 C LEU A 59 -16.155 11.776 -26.602 1.00 51.13 C ATOM 858 O LEU A 59 -15.996 12.755 -27.334 1.00 42.21 O ATOM 859 CB LEU A 59 -14.336 10.245 -27.536 1.00 32.11 C ATOM 860 CG LEU A 59 -13.183 10.484 -26.534 1.00 33.54 C ATOM 861 CD1 LEU A 59 -12.729 11.912 -26.612 1.00 51.14 C ATOM 862 CD2 LEU A 59 -13.485 10.130 -25.090 1.00 14.30 C ATOM 0 H LEU A 59 -16.175 10.134 -29.172 1.00 42.30 H new ATOM 0 HA LEU A 59 -15.979 9.657 -26.288 1.00 14.10 H new ATOM 0 HB2 LEU A 59 -14.196 9.245 -27.947 1.00 32.11 H new ATOM 0 HB3 LEU A 59 -14.194 10.949 -28.356 1.00 32.11 H new ATOM 0 HG LEU A 59 -12.397 9.794 -26.842 1.00 33.54 H new ATOM 0 HD11 LEU A 59 -11.917 12.075 -25.904 1.00 51.14 H new ATOM 0 HD12 LEU A 59 -12.379 12.128 -27.622 1.00 51.14 H new ATOM 0 HD13 LEU A 59 -13.561 12.572 -26.367 1.00 51.14 H new ATOM 0 HD21 LEU A 59 -12.610 10.336 -24.474 1.00 14.30 H new ATOM 0 HD22 LEU A 59 -14.326 10.727 -24.737 1.00 14.30 H new ATOM 0 HD23 LEU A 59 -13.737 9.072 -25.020 1.00 14.30 H new ATOM 874 N PRO A 60 -16.675 11.890 -25.355 1.00 24.04 N ATOM 875 CA PRO A 60 -17.006 13.225 -24.844 1.00 24.32 C ATOM 876 C PRO A 60 -15.791 14.182 -24.753 1.00 32.35 C ATOM 877 O PRO A 60 -14.733 13.838 -24.222 1.00 4.13 O ATOM 878 CB PRO A 60 -17.626 12.902 -23.459 1.00 45.44 C ATOM 879 CG PRO A 60 -17.117 11.554 -23.119 1.00 74.11 C ATOM 880 CD PRO A 60 -16.989 10.816 -24.381 1.00 35.32 C ATOM 0 HA PRO A 60 -17.676 13.774 -25.506 1.00 24.32 H new ATOM 0 HB2 PRO A 60 -17.328 13.637 -22.711 1.00 45.44 H new ATOM 0 HB3 PRO A 60 -18.715 12.914 -23.501 1.00 45.44 H new ATOM 0 HG2 PRO A 60 -16.155 11.621 -22.612 1.00 74.11 H new ATOM 0 HG3 PRO A 60 -17.800 11.043 -22.440 1.00 74.11 H new ATOM 0 HD2 PRO A 60 -16.198 10.068 -24.334 1.00 35.32 H new ATOM 0 HD3 PRO A 60 -17.909 10.292 -24.639 1.00 35.32 H new ATOM 888 N ILE A 61 -15.984 15.416 -25.187 1.00 50.53 N ATOM 889 CA ILE A 61 -14.920 16.406 -25.135 1.00 10.03 C ATOM 890 C ILE A 61 -14.495 16.690 -23.681 1.00 3.22 C ATOM 891 O ILE A 61 -13.351 17.068 -23.422 1.00 72.13 O ATOM 892 CB ILE A 61 -15.303 17.716 -25.891 1.00 52.21 C ATOM 893 CG1 ILE A 61 -14.031 18.502 -26.254 1.00 63.24 C ATOM 894 CG2 ILE A 61 -16.316 18.544 -25.067 1.00 33.01 C ATOM 895 CD1 ILE A 61 -14.200 19.595 -27.301 1.00 44.45 C ATOM 0 H ILE A 61 -16.863 15.756 -25.578 1.00 50.53 H new ATOM 0 HA ILE A 61 -14.059 15.985 -25.654 1.00 10.03 H new ATOM 0 HB ILE A 61 -15.803 17.468 -26.828 1.00 52.21 H new ATOM 0 HG12 ILE A 61 -13.635 18.955 -25.345 1.00 63.24 H new ATOM 0 HG13 ILE A 61 -13.281 17.796 -26.611 1.00 63.24 H new ATOM 0 HG21 ILE A 61 -16.571 19.454 -25.611 1.00 33.01 H new ATOM 0 HG22 ILE A 61 -17.218 17.955 -24.902 1.00 33.01 H new ATOM 0 HG23 ILE A 61 -15.874 18.808 -24.106 1.00 33.01 H new ATOM 0 HD11 ILE A 61 -13.241 20.081 -27.477 1.00 44.45 H new ATOM 0 HD12 ILE A 61 -14.560 19.155 -28.231 1.00 44.45 H new ATOM 0 HD13 ILE A 61 -14.920 20.332 -26.945 1.00 44.45 H new ATOM 907 N ARG A 62 -15.376 16.429 -22.715 1.00 13.53 N ATOM 908 CA ARG A 62 -15.010 16.573 -21.295 1.00 1.54 C ATOM 909 C ARG A 62 -13.855 15.637 -20.951 1.00 71.42 C ATOM 910 O ARG A 62 -13.055 15.941 -20.100 1.00 75.42 O ATOM 911 CB ARG A 62 -16.190 16.280 -20.358 1.00 73.34 C ATOM 912 CG ARG A 62 -15.873 16.565 -18.870 1.00 42.42 C ATOM 913 CD ARG A 62 -17.127 16.751 -18.026 1.00 15.10 C ATOM 914 NE ARG A 62 -17.870 15.507 -17.780 1.00 3.53 N ATOM 915 CZ ARG A 62 -18.859 15.374 -16.908 1.00 75.33 C ATOM 916 NH1 ARG A 62 -19.279 16.365 -16.171 1.00 30.31 N ATOM 917 NH2 ARG A 62 -19.437 14.209 -16.785 1.00 73.44 N ATOM 0 H ARG A 62 -16.334 16.121 -22.879 1.00 13.53 H new ATOM 0 HA ARG A 62 -14.711 17.611 -21.148 1.00 1.54 H new ATOM 0 HB2 ARG A 62 -17.046 16.883 -20.662 1.00 73.34 H new ATOM 0 HB3 ARG A 62 -16.481 15.235 -20.467 1.00 73.34 H new ATOM 0 HG2 ARG A 62 -15.286 15.741 -18.464 1.00 42.42 H new ATOM 0 HG3 ARG A 62 -15.257 17.461 -18.799 1.00 42.42 H new ATOM 0 HD2 ARG A 62 -16.847 17.190 -17.069 1.00 15.10 H new ATOM 0 HD3 ARG A 62 -17.785 17.463 -18.523 1.00 15.10 H new ATOM 0 HE ARG A 62 -17.604 14.684 -18.321 1.00 3.53 H new ATOM 0 HH11 ARG A 62 -18.843 17.283 -16.255 1.00 30.31 H new ATOM 0 HH12 ARG A 62 -20.044 16.222 -15.511 1.00 30.31 H new ATOM 0 HH21 ARG A 62 -19.125 13.422 -17.355 1.00 73.44 H new ATOM 0 HH22 ARG A 62 -20.200 14.086 -16.119 1.00 73.44 H new ATOM 931 N GLN A 63 -13.799 14.487 -21.607 1.00 60.43 N ATOM 932 CA GLN A 63 -12.765 13.488 -21.337 1.00 10.12 C ATOM 933 C GLN A 63 -11.435 13.975 -21.856 1.00 3.24 C ATOM 934 O GLN A 63 -10.439 13.780 -21.209 1.00 43.41 O ATOM 935 CB GLN A 63 -13.108 12.151 -21.951 1.00 24.41 C ATOM 936 CG GLN A 63 -13.211 11.043 -20.919 1.00 31.03 C ATOM 937 CD GLN A 63 -14.193 11.336 -19.758 1.00 4.23 C ATOM 938 OE1 GLN A 63 -15.479 11.212 -20.016 1.00 60.03 O flip ATOM 939 NE2 GLN A 63 -13.782 11.646 -18.634 1.00 21.44 N flip ATOM 0 H GLN A 63 -14.460 14.218 -22.335 1.00 60.43 H new ATOM 0 HA GLN A 63 -12.705 13.349 -20.258 1.00 10.12 H new ATOM 0 HB2 GLN A 63 -14.054 12.233 -22.486 1.00 24.41 H new ATOM 0 HB3 GLN A 63 -12.348 11.888 -22.687 1.00 24.41 H new ATOM 0 HG2 GLN A 63 -13.523 10.126 -21.419 1.00 31.03 H new ATOM 0 HG3 GLN A 63 -12.221 10.858 -20.503 1.00 31.03 H new ATOM 0 HE21 GLN A 63 -12.780 11.735 -18.464 1.00 21.44 H new ATOM 0 HE22 GLN A 63 -14.445 11.813 -17.877 1.00 21.44 H new ATOM 948 N LEU A 64 -11.423 14.626 -23.010 1.00 14.12 N ATOM 949 CA LEU A 64 -10.184 15.201 -23.551 1.00 11.03 C ATOM 950 C LEU A 64 -9.707 16.358 -22.696 1.00 31.42 C ATOM 951 O LEU A 64 -8.528 16.501 -22.465 1.00 4.21 O ATOM 952 CB LEU A 64 -10.413 15.712 -24.972 1.00 43.13 C ATOM 953 CG LEU A 64 -10.278 14.655 -26.071 1.00 31.33 C ATOM 954 CD1 LEU A 64 -10.852 15.201 -27.390 1.00 62.42 C ATOM 955 CD2 LEU A 64 -8.795 14.246 -26.268 1.00 34.23 C ATOM 0 H LEU A 64 -12.248 14.773 -23.592 1.00 14.12 H new ATOM 0 HA LEU A 64 -9.429 14.415 -23.553 1.00 11.03 H new ATOM 0 HB2 LEU A 64 -11.411 16.147 -25.029 1.00 43.13 H new ATOM 0 HB3 LEU A 64 -9.703 16.515 -25.172 1.00 43.13 H new ATOM 0 HG LEU A 64 -10.838 13.770 -25.769 1.00 31.33 H new ATOM 0 HD11 LEU A 64 -10.754 14.446 -28.170 1.00 62.42 H new ATOM 0 HD12 LEU A 64 -11.905 15.448 -27.254 1.00 62.42 H new ATOM 0 HD13 LEU A 64 -10.304 16.097 -27.682 1.00 62.42 H new ATOM 0 HD21 LEU A 64 -8.726 13.494 -27.054 1.00 34.23 H new ATOM 0 HD22 LEU A 64 -8.211 15.121 -26.551 1.00 34.23 H new ATOM 0 HD23 LEU A 64 -8.404 13.835 -25.337 1.00 34.23 H new ATOM 967 N PHE A 65 -10.620 17.212 -22.245 1.00 71.52 N ATOM 968 CA PHE A 65 -10.230 18.354 -21.402 1.00 10.42 C ATOM 969 C PHE A 65 -9.707 17.881 -20.041 1.00 0.43 C ATOM 970 O PHE A 65 -8.866 18.516 -19.444 1.00 33.25 O ATOM 971 CB PHE A 65 -11.392 19.319 -21.153 1.00 55.41 C ATOM 972 CG PHE A 65 -11.863 20.059 -22.382 1.00 43.21 C ATOM 973 CD1 PHE A 65 -11.064 20.190 -23.542 1.00 21.30 C ATOM 974 CD2 PHE A 65 -13.129 20.645 -22.374 1.00 35.33 C ATOM 975 CE1 PHE A 65 -11.529 20.889 -24.671 1.00 33.31 C ATOM 976 CE2 PHE A 65 -13.614 21.344 -23.494 1.00 70.45 C ATOM 977 CZ PHE A 65 -12.812 21.474 -24.646 1.00 14.22 C ATOM 0 H PHE A 65 -11.619 17.145 -22.440 1.00 71.52 H new ATOM 0 HA PHE A 65 -9.446 18.875 -21.951 1.00 10.42 H new ATOM 0 HB2 PHE A 65 -12.230 18.760 -20.737 1.00 55.41 H new ATOM 0 HB3 PHE A 65 -11.089 20.046 -20.400 1.00 55.41 H new ATOM 0 HD1 PHE A 65 -10.080 19.746 -23.561 1.00 21.30 H new ATOM 0 HD2 PHE A 65 -13.747 20.560 -21.493 1.00 35.33 H new ATOM 0 HE1 PHE A 65 -10.908 20.977 -25.550 1.00 33.31 H new ATOM 0 HE2 PHE A 65 -14.601 21.781 -23.471 1.00 70.45 H new ATOM 0 HZ PHE A 65 -13.178 22.018 -25.504 1.00 14.22 H new ATOM 987 N SER A 66 -10.236 16.774 -19.540 1.00 25.12 N ATOM 988 CA SER A 66 -9.844 16.228 -18.225 1.00 65.14 C ATOM 989 C SER A 66 -8.536 15.467 -18.337 1.00 73.34 C ATOM 990 O SER A 66 -7.823 15.266 -17.353 1.00 34.13 O ATOM 991 CB SER A 66 -10.937 15.292 -17.673 1.00 43.42 C ATOM 992 OG SER A 66 -10.635 14.847 -16.363 1.00 61.31 O ATOM 0 H SER A 66 -10.946 16.223 -20.022 1.00 25.12 H new ATOM 0 HA SER A 66 -9.716 17.065 -17.539 1.00 65.14 H new ATOM 0 HB2 SER A 66 -11.894 15.814 -17.668 1.00 43.42 H new ATOM 0 HB3 SER A 66 -11.046 14.432 -18.333 1.00 43.42 H new ATOM 0 HG SER A 66 -11.350 14.257 -16.045 1.00 61.31 H new ATOM 998 N SER A 67 -8.257 14.958 -19.536 1.00 12.04 N ATOM 999 CA SER A 67 -7.043 14.185 -19.776 1.00 2.43 C ATOM 1000 C SER A 67 -6.552 14.424 -21.205 1.00 14.42 C ATOM 1001 O SER A 67 -6.892 13.673 -22.107 1.00 13.41 O ATOM 1002 CB SER A 67 -7.316 12.700 -19.557 1.00 43.44 C ATOM 1003 OG SER A 67 -7.711 12.459 -18.221 1.00 44.24 O ATOM 0 H SER A 67 -8.856 15.068 -20.355 1.00 12.04 H new ATOM 0 HA SER A 67 -6.272 14.506 -19.076 1.00 2.43 H new ATOM 0 HB2 SER A 67 -8.097 12.364 -20.239 1.00 43.44 H new ATOM 0 HB3 SER A 67 -6.421 12.122 -19.787 1.00 43.44 H new ATOM 0 HG SER A 67 -7.729 11.493 -18.054 1.00 44.24 H new ATOM 1009 N PRO A 68 -5.735 15.472 -21.424 1.00 40.32 N ATOM 1010 CA PRO A 68 -5.305 15.819 -22.792 1.00 12.04 C ATOM 1011 C PRO A 68 -4.155 14.995 -23.391 1.00 61.44 C ATOM 1012 O PRO A 68 -3.513 15.434 -24.341 1.00 42.53 O ATOM 1013 CB PRO A 68 -4.888 17.289 -22.632 1.00 24.42 C ATOM 1014 CG PRO A 68 -4.323 17.337 -21.272 1.00 0.43 C ATOM 1015 CD PRO A 68 -5.225 16.458 -20.444 1.00 65.15 C ATOM 0 HA PRO A 68 -6.109 15.615 -23.500 1.00 12.04 H new ATOM 0 HB2 PRO A 68 -4.154 17.583 -23.383 1.00 24.42 H new ATOM 0 HB3 PRO A 68 -5.739 17.962 -22.738 1.00 24.42 H new ATOM 0 HG2 PRO A 68 -3.296 16.973 -21.258 1.00 0.43 H new ATOM 0 HG3 PRO A 68 -4.305 18.357 -20.888 1.00 0.43 H new ATOM 0 HD2 PRO A 68 -4.681 15.974 -19.633 1.00 65.15 H new ATOM 0 HD3 PRO A 68 -6.035 17.028 -19.989 1.00 65.15 H new ATOM 1023 N THR A 69 -3.900 13.810 -22.855 1.00 42.14 N ATOM 1024 CA THR A 69 -2.865 12.917 -23.378 1.00 24.44 C ATOM 1025 C THR A 69 -3.561 11.684 -23.923 1.00 25.05 C ATOM 1026 O THR A 69 -4.651 11.343 -23.454 1.00 30.41 O ATOM 1027 CB THR A 69 -1.852 12.515 -22.288 1.00 42.51 C ATOM 1028 OG1 THR A 69 -2.546 11.962 -21.176 1.00 21.31 O ATOM 1029 CG2 THR A 69 -1.086 13.738 -21.811 1.00 4.01 C ATOM 0 H THR A 69 -4.400 13.438 -22.048 1.00 42.14 H new ATOM 0 HA THR A 69 -2.302 13.430 -24.158 1.00 24.44 H new ATOM 0 HB THR A 69 -1.160 11.784 -22.707 1.00 42.51 H new ATOM 0 HG1 THR A 69 -1.902 11.705 -20.484 1.00 21.31 H new ATOM 0 HG21 THR A 69 -0.373 13.443 -21.041 1.00 4.01 H new ATOM 0 HG22 THR A 69 -0.551 14.182 -22.650 1.00 4.01 H new ATOM 0 HG23 THR A 69 -1.784 14.467 -21.399 1.00 4.01 H new ATOM 1037 N PRO A 70 -2.950 10.980 -24.908 1.00 71.02 N ATOM 1038 CA PRO A 70 -3.679 9.824 -25.442 1.00 53.01 C ATOM 1039 C PRO A 70 -3.824 8.654 -24.447 1.00 3.44 C ATOM 1040 O PRO A 70 -4.862 7.986 -24.428 1.00 11.51 O ATOM 1041 CB PRO A 70 -2.858 9.461 -26.676 1.00 63.35 C ATOM 1042 CG PRO A 70 -1.505 9.872 -26.357 1.00 34.14 C ATOM 1043 CD PRO A 70 -1.659 11.167 -25.600 1.00 11.34 C ATOM 0 HA PRO A 70 -4.721 10.055 -25.664 1.00 53.01 H new ATOM 0 HB2 PRO A 70 -2.908 8.392 -26.883 1.00 63.35 H new ATOM 0 HB3 PRO A 70 -3.229 9.975 -27.563 1.00 63.35 H new ATOM 0 HG2 PRO A 70 -0.996 9.120 -25.754 1.00 34.14 H new ATOM 0 HG3 PRO A 70 -0.911 10.011 -27.260 1.00 34.14 H new ATOM 0 HD2 PRO A 70 -0.841 11.326 -24.897 1.00 11.34 H new ATOM 0 HD3 PRO A 70 -1.677 12.028 -26.268 1.00 11.34 H new ATOM 1051 N ALA A 71 -2.857 8.447 -23.556 1.00 25.10 N ATOM 1052 CA ALA A 71 -2.983 7.410 -22.530 1.00 34.02 C ATOM 1053 C ALA A 71 -3.952 7.822 -21.433 1.00 1.11 C ATOM 1054 O ALA A 71 -4.602 6.982 -20.795 1.00 60.12 O ATOM 1055 CB ALA A 71 -1.590 7.115 -21.936 1.00 12.45 C ATOM 0 H ALA A 71 -1.986 8.976 -23.522 1.00 25.10 H new ATOM 0 HA ALA A 71 -3.385 6.509 -22.994 1.00 34.02 H new ATOM 0 HB1 ALA A 71 -1.677 6.343 -21.171 1.00 12.45 H new ATOM 0 HB2 ALA A 71 -0.923 6.769 -22.726 1.00 12.45 H new ATOM 0 HB3 ALA A 71 -1.185 8.023 -21.491 1.00 12.45 H new ATOM 1061 N GLY A 72 -4.041 9.128 -21.210 1.00 55.20 N ATOM 1062 CA GLY A 72 -4.896 9.639 -20.169 1.00 74.21 C ATOM 1063 C GLY A 72 -6.342 9.491 -20.583 1.00 43.34 C ATOM 1064 O GLY A 72 -7.157 8.900 -19.864 1.00 51.14 O ATOM 0 H GLY A 72 -3.533 9.839 -21.736 1.00 55.20 H new ATOM 0 HA2 GLY A 72 -4.716 9.099 -19.239 1.00 74.21 H new ATOM 0 HA3 GLY A 72 -4.667 10.688 -19.978 1.00 74.21 H new ATOM 1068 N VAL A 73 -6.664 9.973 -21.777 1.00 23.20 N ATOM 1069 CA VAL A 73 -8.041 9.936 -22.251 1.00 43.35 C ATOM 1070 C VAL A 73 -8.541 8.494 -22.420 1.00 51.32 C ATOM 1071 O VAL A 73 -9.706 8.219 -22.126 1.00 11.23 O ATOM 1072 CB VAL A 73 -8.246 10.782 -23.563 1.00 43.40 C ATOM 1073 CG1 VAL A 73 -7.667 10.098 -24.802 1.00 32.24 C ATOM 1074 CG2 VAL A 73 -9.715 11.088 -23.776 1.00 41.01 C ATOM 0 H VAL A 73 -5.999 10.390 -22.428 1.00 23.20 H new ATOM 0 HA VAL A 73 -8.652 10.406 -21.480 1.00 43.35 H new ATOM 0 HB VAL A 73 -7.698 11.714 -23.423 1.00 43.40 H new ATOM 0 HG11 VAL A 73 -7.837 10.726 -25.677 1.00 32.24 H new ATOM 0 HG12 VAL A 73 -6.596 9.946 -24.667 1.00 32.24 H new ATOM 0 HG13 VAL A 73 -8.155 9.134 -24.947 1.00 32.24 H new ATOM 0 HG21 VAL A 73 -9.836 11.673 -24.687 1.00 41.01 H new ATOM 0 HG22 VAL A 73 -10.271 10.155 -23.867 1.00 41.01 H new ATOM 0 HG23 VAL A 73 -10.095 11.656 -22.927 1.00 41.01 H new ATOM 1084 N ALA A 74 -7.656 7.570 -22.791 1.00 61.23 N ATOM 1085 CA ALA A 74 -8.021 6.158 -22.914 1.00 3.34 C ATOM 1086 C ALA A 74 -8.601 5.589 -21.616 1.00 44.54 C ATOM 1087 O ALA A 74 -9.645 4.950 -21.616 1.00 61.41 O ATOM 1088 CB ALA A 74 -6.796 5.342 -23.316 1.00 30.23 C ATOM 0 H ALA A 74 -6.681 7.773 -23.012 1.00 61.23 H new ATOM 0 HA ALA A 74 -8.793 6.091 -23.680 1.00 3.34 H new ATOM 0 HB1 ALA A 74 -7.072 4.291 -23.406 1.00 30.23 H new ATOM 0 HB2 ALA A 74 -6.417 5.701 -24.273 1.00 30.23 H new ATOM 0 HB3 ALA A 74 -6.022 5.449 -22.556 1.00 30.23 H new ATOM 1094 N ARG A 75 -7.925 5.833 -20.505 1.00 64.02 N ATOM 1095 CA ARG A 75 -8.395 5.311 -19.237 1.00 3.44 C ATOM 1096 C ARG A 75 -9.569 6.111 -18.707 1.00 53.13 C ATOM 1097 O ARG A 75 -10.449 5.560 -18.026 1.00 54.43 O ATOM 1098 CB ARG A 75 -7.259 5.279 -18.219 1.00 70.54 C ATOM 1099 CG ARG A 75 -6.083 4.451 -18.715 1.00 63.32 C ATOM 1100 CD ARG A 75 -5.329 3.830 -17.577 1.00 71.34 C ATOM 1101 NE ARG A 75 -4.820 4.825 -16.633 1.00 21.04 N ATOM 1102 CZ ARG A 75 -4.200 4.547 -15.487 1.00 32.34 C ATOM 1103 NH1 ARG A 75 -4.016 3.322 -15.082 1.00 41.22 N ATOM 1104 NH2 ARG A 75 -3.785 5.527 -14.719 1.00 32.15 N ATOM 0 H ARG A 75 -7.065 6.379 -20.456 1.00 64.02 H new ATOM 0 HA ARG A 75 -8.742 4.291 -19.404 1.00 3.44 H new ATOM 0 HB2 ARG A 75 -6.927 6.296 -18.012 1.00 70.54 H new ATOM 0 HB3 ARG A 75 -7.624 4.866 -17.279 1.00 70.54 H new ATOM 0 HG2 ARG A 75 -6.443 3.669 -19.384 1.00 63.32 H new ATOM 0 HG3 ARG A 75 -5.411 5.083 -19.296 1.00 63.32 H new ATOM 0 HD2 ARG A 75 -5.982 3.134 -17.050 1.00 71.34 H new ATOM 0 HD3 ARG A 75 -4.496 3.249 -17.972 1.00 71.34 H new ATOM 0 HE ARG A 75 -4.950 5.808 -16.871 1.00 21.04 H new ATOM 0 HH11 ARG A 75 -4.351 2.542 -15.648 1.00 41.22 H new ATOM 0 HH12 ARG A 75 -3.537 3.143 -14.199 1.00 41.22 H new ATOM 0 HH21 ARG A 75 -3.938 6.495 -15.001 1.00 32.15 H new ATOM 0 HH22 ARG A 75 -3.310 5.320 -13.840 1.00 32.15 H new ATOM 1118 N ALA A 76 -9.586 7.405 -18.986 1.00 1.53 N ATOM 1119 CA ALA A 76 -10.655 8.267 -18.517 1.00 62.14 C ATOM 1120 C ALA A 76 -11.982 7.894 -19.183 1.00 71.30 C ATOM 1121 O ALA A 76 -13.029 7.891 -18.539 1.00 43.23 O ATOM 1122 CB ALA A 76 -10.280 9.728 -18.780 1.00 52.21 C ATOM 0 H ALA A 76 -8.870 7.880 -19.536 1.00 1.53 H new ATOM 0 HA ALA A 76 -10.787 8.132 -17.443 1.00 62.14 H new ATOM 0 HB1 ALA A 76 -11.081 10.378 -18.429 1.00 52.21 H new ATOM 0 HB2 ALA A 76 -9.359 9.968 -18.249 1.00 52.21 H new ATOM 0 HB3 ALA A 76 -10.133 9.879 -19.849 1.00 52.21 H new ATOM 1128 N LEU A 77 -11.955 7.571 -20.464 1.00 65.31 N ATOM 1129 CA LEU A 77 -13.178 7.202 -21.174 1.00 20.14 C ATOM 1130 C LEU A 77 -13.594 5.766 -20.816 1.00 44.22 C ATOM 1131 O LEU A 77 -14.769 5.459 -20.795 1.00 51.35 O ATOM 1132 CB LEU A 77 -13.007 7.409 -22.679 1.00 71.13 C ATOM 1133 CG LEU A 77 -12.099 6.440 -23.468 1.00 30.11 C ATOM 1134 CD1 LEU A 77 -12.830 5.146 -23.951 1.00 22.23 C ATOM 1135 CD2 LEU A 77 -11.500 7.128 -24.674 1.00 30.42 C ATOM 0 H LEU A 77 -11.110 7.555 -21.035 1.00 65.31 H new ATOM 0 HA LEU A 77 -13.990 7.856 -20.856 1.00 20.14 H new ATOM 0 HB2 LEU A 77 -13.998 7.373 -23.131 1.00 71.13 H new ATOM 0 HB3 LEU A 77 -12.623 8.418 -22.831 1.00 71.13 H new ATOM 0 HG LEU A 77 -11.321 6.140 -22.765 1.00 30.11 H new ATOM 0 HD11 LEU A 77 -12.129 4.515 -24.497 1.00 22.23 H new ATOM 0 HD12 LEU A 77 -13.213 4.601 -23.088 1.00 22.23 H new ATOM 0 HD13 LEU A 77 -13.658 5.419 -24.605 1.00 22.23 H new ATOM 0 HD21 LEU A 77 -10.864 6.427 -25.215 1.00 30.42 H new ATOM 0 HD22 LEU A 77 -12.299 7.473 -25.330 1.00 30.42 H new ATOM 0 HD23 LEU A 77 -10.904 7.981 -24.348 1.00 30.42 H new