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 33:sc= 0.394 USER MOD Single : A 13 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0577) USER MOD Single : A 16 CYS SG : rot 76:sc= 0.327 USER MOD Single : A 19 TYR OH : rot 30:sc=-0.00689 USER MOD Single : A 35 HIS : no HD1:sc= -1.52 K(o=-1.5,f=-0.71) 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 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= -0.0927 K(o=-0.093,f=-1.7!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot -160:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.0295 USER MOD ----------------------------------------------------------------- ATOM 127 N THR A 11 -5.429 1.099 -27.978 1.00 0.00 N ATOM 128 CA THR A 11 -6.344 2.221 -28.191 1.00 0.00 C ATOM 129 C THR A 11 -5.667 3.563 -27.955 1.00 0.00 C ATOM 130 O THR A 11 -5.783 4.489 -28.758 1.00 0.00 O ATOM 131 CB THR A 11 -7.536 2.101 -27.216 1.00 0.00 C ATOM 132 OG1 THR A 11 -7.979 0.742 -27.197 1.00 0.00 O ATOM 133 CG2 THR A 11 -8.694 2.988 -27.640 1.00 0.00 C ATOM 0 HA THR A 11 -6.676 2.179 -29.228 1.00 0.00 H new ATOM 0 HB THR A 11 -7.205 2.420 -26.228 1.00 0.00 H new ATOM 0 HG1 THR A 11 -7.212 0.146 -27.328 1.00 0.00 H new ATOM 0 HG21 THR A 11 -9.515 2.878 -26.931 1.00 0.00 H new ATOM 0 HG22 THR A 11 -8.368 4.028 -27.659 1.00 0.00 H new ATOM 0 HG23 THR A 11 -9.031 2.695 -28.634 1.00 0.00 H new ATOM 141 N GLU A 12 -4.920 3.650 -26.867 1.00 0.00 N ATOM 142 CA GLU A 12 -4.206 4.871 -26.502 1.00 0.00 C ATOM 143 C GLU A 12 -3.239 5.302 -27.587 1.00 0.00 C ATOM 144 O GLU A 12 -3.054 6.484 -27.819 1.00 0.00 O ATOM 145 CB GLU A 12 -3.433 4.660 -25.190 1.00 0.00 C ATOM 146 CG GLU A 12 -4.310 4.458 -23.950 1.00 0.00 C ATOM 147 CD GLU A 12 -4.606 2.991 -23.646 1.00 0.00 C ATOM 148 OE1 GLU A 12 -5.149 2.274 -24.509 1.00 0.00 O ATOM 149 OE2 GLU A 12 -4.256 2.540 -22.533 1.00 0.00 O ATOM 0 H GLU A 12 -4.789 2.880 -26.211 1.00 0.00 H new ATOM 0 HA GLU A 12 -4.950 5.657 -26.374 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -2.784 3.792 -25.303 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -2.787 5.522 -25.023 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -3.816 4.907 -23.088 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -5.252 4.989 -24.090 1.00 0.00 H new ATOM 156 N LYS A 13 -2.636 4.339 -28.262 1.00 0.00 N ATOM 157 CA LYS A 13 -1.647 4.635 -29.304 1.00 0.00 C ATOM 158 C LYS A 13 -2.311 5.229 -30.539 1.00 0.00 C ATOM 159 O LYS A 13 -1.753 6.131 -31.145 1.00 0.00 O ATOM 160 CB LYS A 13 -0.912 3.348 -29.722 1.00 0.00 C ATOM 161 CG LYS A 13 -0.486 2.442 -28.555 1.00 0.00 C ATOM 162 CD LYS A 13 0.551 3.062 -27.614 1.00 0.00 C ATOM 163 CE LYS A 13 0.379 2.487 -26.200 1.00 0.00 C ATOM 164 NZ LYS A 13 0.377 0.977 -26.153 1.00 0.00 N ATOM 0 H LYS A 13 -2.808 3.345 -28.113 1.00 0.00 H new ATOM 0 HA LYS A 13 -0.942 5.356 -28.890 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -1.558 2.778 -30.389 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -0.025 3.622 -30.294 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -1.371 2.177 -27.976 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -0.081 1.515 -28.961 1.00 0.00 H new ATOM 0 HD2 LYS A 13 1.557 2.857 -27.980 1.00 0.00 H new ATOM 0 HD3 LYS A 13 0.435 4.146 -27.593 1.00 0.00 H new ATOM 0 HE2 LYS A 13 1.183 2.860 -25.566 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -0.556 2.856 -25.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 0.428 0.660 -25.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -0.497 0.617 -26.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 1.199 0.612 -26.676 1.00 0.00 H new ATOM 178 N VAL A 14 -3.481 4.729 -30.896 1.00 0.00 N ATOM 179 CA VAL A 14 -4.217 5.239 -32.049 1.00 0.00 C ATOM 180 C VAL A 14 -4.653 6.656 -31.720 1.00 0.00 C ATOM 181 O VAL A 14 -4.499 7.556 -32.518 1.00 0.00 O ATOM 182 CB VAL A 14 -5.453 4.366 -32.369 1.00 0.00 C ATOM 183 CG1 VAL A 14 -6.237 4.926 -33.552 1.00 0.00 C ATOM 184 CG2 VAL A 14 -5.032 2.916 -32.666 1.00 0.00 C ATOM 0 H VAL A 14 -3.947 3.967 -30.404 1.00 0.00 H new ATOM 0 HA VAL A 14 -3.576 5.218 -32.930 1.00 0.00 H new ATOM 0 HB VAL A 14 -6.098 4.378 -31.490 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -7.099 4.290 -33.751 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -6.577 5.935 -33.318 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -5.596 4.954 -34.433 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -5.916 2.319 -32.889 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -4.359 2.901 -33.523 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -4.522 2.500 -31.797 1.00 0.00 H new ATOM 194 N LEU A 15 -5.147 6.849 -30.511 1.00 0.00 N ATOM 195 CA LEU A 15 -5.604 8.165 -30.074 1.00 0.00 C ATOM 196 C LEU A 15 -4.463 9.169 -30.050 1.00 0.00 C ATOM 197 O LEU A 15 -4.617 10.296 -30.509 1.00 0.00 O ATOM 198 CB LEU A 15 -6.215 8.046 -28.686 1.00 0.00 C ATOM 199 CG LEU A 15 -7.541 7.285 -28.636 1.00 0.00 C ATOM 200 CD1 LEU A 15 -7.767 6.908 -27.208 1.00 0.00 C ATOM 201 CD2 LEU A 15 -8.703 8.102 -29.178 1.00 0.00 C ATOM 0 H LEU A 15 -5.244 6.114 -29.810 1.00 0.00 H new ATOM 0 HA LEU A 15 -6.350 8.525 -30.783 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -5.501 7.548 -28.031 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -6.371 9.048 -28.285 1.00 0.00 H new ATOM 0 HG LEU A 15 -7.486 6.403 -29.274 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -8.705 6.360 -27.120 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -6.946 6.279 -26.863 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -7.815 7.809 -26.597 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -9.619 7.515 -29.119 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -8.816 9.011 -28.587 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -8.508 8.367 -30.217 1.00 0.00 H new ATOM 213 N CYS A 16 -3.301 8.747 -29.581 1.00 0.00 N ATOM 214 CA CYS A 16 -2.108 9.589 -29.630 1.00 0.00 C ATOM 215 C CYS A 16 -1.795 10.018 -31.070 1.00 0.00 C ATOM 216 O CYS A 16 -1.543 11.187 -31.331 1.00 0.00 O ATOM 217 CB CYS A 16 -0.898 8.835 -29.061 1.00 0.00 C ATOM 218 SG CYS A 16 -0.872 8.673 -27.258 1.00 0.00 S ATOM 0 H CYS A 16 -3.154 7.829 -29.162 1.00 0.00 H new ATOM 0 HA CYS A 16 -2.306 10.476 -29.029 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -0.872 7.838 -29.500 1.00 0.00 H new ATOM 0 HB3 CYS A 16 0.011 9.347 -29.377 1.00 0.00 H new ATOM 0 HG CYS A 16 -1.723 7.761 -26.892 1.00 0.00 H new ATOM 224 N ALA A 17 -1.820 9.091 -32.014 1.00 0.00 N ATOM 225 CA ALA A 17 -1.511 9.447 -33.397 1.00 0.00 C ATOM 226 C ALA A 17 -2.605 10.342 -33.996 1.00 0.00 C ATOM 227 O ALA A 17 -2.317 11.277 -34.735 1.00 0.00 O ATOM 228 CB ALA A 17 -1.336 8.178 -34.236 1.00 0.00 C ATOM 0 H ALA A 17 -2.045 8.108 -31.859 1.00 0.00 H new ATOM 0 HA ALA A 17 -0.578 10.011 -33.407 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.106 8.451 -35.266 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -0.520 7.582 -33.828 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -2.257 7.596 -34.212 1.00 0.00 H new ATOM 234 N LEU A 18 -3.858 10.087 -33.646 1.00 0.00 N ATOM 235 CA LEU A 18 -4.967 10.898 -34.135 1.00 0.00 C ATOM 236 C LEU A 18 -4.893 12.324 -33.588 1.00 0.00 C ATOM 237 O LEU A 18 -5.234 13.260 -34.282 1.00 0.00 O ATOM 238 CB LEU A 18 -6.312 10.279 -33.767 1.00 0.00 C ATOM 239 CG LEU A 18 -6.709 9.054 -34.597 1.00 0.00 C ATOM 240 CD1 LEU A 18 -8.059 8.529 -34.114 1.00 0.00 C ATOM 241 CD2 LEU A 18 -6.784 9.410 -36.085 1.00 0.00 C ATOM 0 H LEU A 18 -4.133 9.326 -33.026 1.00 0.00 H new ATOM 0 HA LEU A 18 -4.882 10.932 -35.221 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -6.288 9.994 -32.715 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -7.086 11.039 -33.875 1.00 0.00 H new ATOM 0 HG LEU A 18 -5.952 8.281 -34.470 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -8.343 7.657 -34.704 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -7.985 8.248 -33.063 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -8.814 9.306 -34.229 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -7.067 8.526 -36.657 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -7.527 10.193 -36.235 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -5.811 9.765 -36.424 1.00 0.00 H new ATOM 253 N TYR A 19 -4.391 12.496 -32.371 1.00 0.00 N ATOM 254 CA TYR A 19 -4.173 13.824 -31.840 1.00 0.00 C ATOM 255 C TYR A 19 -3.198 14.528 -32.775 1.00 0.00 C ATOM 256 O TYR A 19 -3.430 15.672 -33.172 1.00 0.00 O ATOM 257 CB TYR A 19 -3.581 13.809 -30.447 1.00 0.00 C ATOM 258 CG TYR A 19 -4.540 13.761 -29.263 1.00 0.00 C ATOM 259 CD1 TYR A 19 -5.689 12.950 -29.281 1.00 0.00 C ATOM 260 CD2 TYR A 19 -4.246 14.482 -28.070 1.00 0.00 C ATOM 261 CE1 TYR A 19 -6.545 12.874 -28.145 1.00 0.00 C ATOM 262 CE2 TYR A 19 -5.111 14.416 -26.950 1.00 0.00 C ATOM 263 CZ TYR A 19 -6.256 13.637 -27.005 1.00 0.00 C ATOM 264 OH TYR A 19 -7.098 13.584 -25.913 1.00 0.00 O ATOM 0 H TYR A 19 -4.131 11.736 -31.743 1.00 0.00 H new ATOM 0 HA TYR A 19 -5.135 14.333 -31.774 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -2.918 12.947 -30.375 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -2.960 14.698 -30.338 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -5.925 12.378 -30.166 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -3.352 15.086 -28.019 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -7.413 12.231 -28.162 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -4.878 14.972 -26.054 1.00 0.00 H new ATOM 0 HH TYR A 19 -7.522 12.702 -25.869 1.00 0.00 H new ATOM 274 N ALA A 20 -2.106 13.868 -33.136 1.00 0.00 N ATOM 275 CA ALA A 20 -1.089 14.500 -33.978 1.00 0.00 C ATOM 276 C ALA A 20 -1.612 14.910 -35.357 1.00 0.00 C ATOM 277 O ALA A 20 -1.211 15.931 -35.879 1.00 0.00 O ATOM 278 CB ALA A 20 0.083 13.507 -34.188 1.00 0.00 C ATOM 0 H ALA A 20 -1.899 12.907 -32.865 1.00 0.00 H new ATOM 0 HA ALA A 20 -0.773 15.405 -33.459 1.00 0.00 H new ATOM 0 HB1 ALA A 20 0.845 13.971 -34.815 1.00 0.00 H new ATOM 0 HB2 ALA A 20 0.516 13.246 -33.222 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -0.287 12.605 -34.675 1.00 0.00 H new ATOM 284 N GLU A 21 -2.499 14.116 -35.917 1.00 0.00 N ATOM 285 CA GLU A 21 -3.071 14.417 -37.235 1.00 0.00 C ATOM 286 C GLU A 21 -3.923 15.686 -37.211 1.00 0.00 C ATOM 287 O GLU A 21 -4.001 16.424 -38.188 1.00 0.00 O ATOM 288 CB GLU A 21 -3.969 13.247 -37.666 1.00 0.00 C ATOM 289 CG GLU A 21 -3.210 12.007 -38.116 1.00 0.00 C ATOM 290 CD GLU A 21 -3.054 11.941 -39.633 1.00 0.00 C ATOM 291 OE1 GLU A 21 -2.380 12.803 -40.221 1.00 0.00 O ATOM 292 OE2 GLU A 21 -3.669 11.029 -40.242 1.00 0.00 O ATOM 0 H GLU A 21 -2.846 13.257 -35.491 1.00 0.00 H new ATOM 0 HA GLU A 21 -2.245 14.567 -37.930 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -4.620 12.978 -36.834 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -4.613 13.580 -38.480 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -2.224 11.999 -37.651 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -3.734 11.117 -37.768 1.00 0.00 H new ATOM 299 N ILE A 22 -4.605 15.876 -36.097 1.00 0.00 N ATOM 300 CA ILE A 22 -5.543 16.954 -35.941 1.00 0.00 C ATOM 301 C ILE A 22 -4.868 18.258 -35.480 1.00 0.00 C ATOM 302 O ILE A 22 -5.251 19.363 -35.848 1.00 0.00 O ATOM 303 CB ILE A 22 -6.606 16.473 -34.891 1.00 0.00 C ATOM 304 CG1 ILE A 22 -7.433 15.303 -35.435 1.00 0.00 C ATOM 305 CG2 ILE A 22 -7.545 17.625 -34.502 1.00 0.00 C ATOM 306 CD1 ILE A 22 -8.324 15.574 -36.614 1.00 0.00 C ATOM 0 H ILE A 22 -4.518 15.279 -35.274 1.00 0.00 H new ATOM 0 HA ILE A 22 -6.005 17.187 -36.900 1.00 0.00 H new ATOM 0 HB ILE A 22 -6.063 16.137 -34.007 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -6.745 14.504 -35.710 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -8.054 14.924 -34.624 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -8.274 17.270 -33.773 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -6.963 18.438 -34.067 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -8.065 17.986 -35.389 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -8.848 14.660 -36.892 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -9.050 16.343 -36.352 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -7.721 15.916 -37.455 1.00 0.00 H new ATOM 318 N LEU A 23 -3.833 18.090 -34.673 1.00 0.00 N ATOM 319 CA LEU A 23 -3.126 19.207 -34.053 1.00 0.00 C ATOM 320 C LEU A 23 -1.902 19.687 -34.835 1.00 0.00 C ATOM 321 O LEU A 23 -1.481 20.824 -34.676 1.00 0.00 O ATOM 322 CB LEU A 23 -2.695 18.827 -32.655 1.00 0.00 C ATOM 323 CG LEU A 23 -3.835 18.473 -31.692 1.00 0.00 C ATOM 324 CD1 LEU A 23 -3.270 17.649 -30.571 1.00 0.00 C ATOM 325 CD2 LEU A 23 -4.523 19.710 -31.118 1.00 0.00 C ATOM 0 H LEU A 23 -3.456 17.175 -34.427 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.835 20.035 -34.040 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -2.018 17.975 -32.720 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.126 19.654 -32.230 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.590 17.918 -32.250 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.067 17.387 -29.875 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.828 16.739 -30.976 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.505 18.222 -30.048 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -5.322 19.402 -30.443 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.796 20.309 -30.570 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.943 20.303 -31.931 1.00 0.00 H new ATOM 337 N GLY A 24 -1.309 18.814 -35.637 1.00 0.00 N ATOM 338 CA GLY A 24 -0.121 19.195 -36.387 1.00 0.00 C ATOM 339 C GLY A 24 1.141 19.282 -35.536 1.00 0.00 C ATOM 340 O GLY A 24 2.024 20.095 -35.806 1.00 0.00 O ATOM 0 H GLY A 24 -1.623 17.855 -35.784 1.00 0.00 H new ATOM 0 HA2 GLY A 24 0.040 18.472 -37.187 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -0.296 20.161 -36.861 1.00 0.00 H new ATOM 344 N VAL A 25 1.233 18.443 -34.514 1.00 0.00 N ATOM 345 CA VAL A 25 2.388 18.436 -33.605 1.00 0.00 C ATOM 346 C VAL A 25 3.269 17.215 -33.896 1.00 0.00 C ATOM 347 O VAL A 25 2.796 16.219 -34.429 1.00 0.00 O ATOM 348 CB VAL A 25 1.930 18.433 -32.105 1.00 0.00 C ATOM 349 CG1 VAL A 25 1.185 19.739 -31.778 1.00 0.00 C ATOM 350 CG2 VAL A 25 1.022 17.226 -31.795 1.00 0.00 C ATOM 0 H VAL A 25 0.520 17.750 -34.286 1.00 0.00 H new ATOM 0 HA VAL A 25 2.965 19.345 -33.775 1.00 0.00 H new ATOM 0 HB VAL A 25 2.823 18.355 -31.484 1.00 0.00 H new ATOM 0 HG11 VAL A 25 0.871 19.727 -30.734 1.00 0.00 H new ATOM 0 HG12 VAL A 25 1.847 20.588 -31.948 1.00 0.00 H new ATOM 0 HG13 VAL A 25 0.308 19.828 -32.420 1.00 0.00 H new ATOM 0 HG21 VAL A 25 0.723 17.255 -30.747 1.00 0.00 H new ATOM 0 HG22 VAL A 25 0.135 17.267 -32.427 1.00 0.00 H new ATOM 0 HG23 VAL A 25 1.565 16.302 -31.992 1.00 0.00 H new ATOM 360 N GLU A 26 4.555 17.307 -33.571 1.00 0.00 N ATOM 361 CA GLU A 26 5.507 16.227 -33.851 1.00 0.00 C ATOM 362 C GLU A 26 5.177 14.964 -33.067 1.00 0.00 C ATOM 363 O GLU A 26 5.249 13.845 -33.583 1.00 0.00 O ATOM 364 CB GLU A 26 6.935 16.671 -33.466 1.00 0.00 C ATOM 365 CG GLU A 26 8.035 15.694 -33.911 1.00 0.00 C ATOM 366 CD GLU A 26 9.330 15.845 -33.110 1.00 0.00 C ATOM 367 OE1 GLU A 26 9.871 16.962 -33.027 1.00 0.00 O ATOM 368 OE2 GLU A 26 9.812 14.818 -32.567 1.00 0.00 O ATOM 0 H GLU A 26 4.967 18.119 -33.112 1.00 0.00 H new ATOM 0 HA GLU A 26 5.441 16.010 -34.917 1.00 0.00 H new ATOM 0 HB2 GLU A 26 7.132 17.648 -33.906 1.00 0.00 H new ATOM 0 HB3 GLU A 26 6.987 16.793 -32.384 1.00 0.00 H new ATOM 0 HG2 GLU A 26 7.669 14.672 -33.809 1.00 0.00 H new ATOM 0 HG3 GLU A 26 8.248 15.852 -34.968 1.00 0.00 H new ATOM 375 N ARG A 27 4.875 15.148 -31.787 1.00 0.00 N ATOM 376 CA ARG A 27 4.646 14.009 -30.882 1.00 0.00 C ATOM 377 C ARG A 27 3.490 14.263 -29.955 1.00 0.00 C ATOM 378 O ARG A 27 3.161 15.432 -29.712 1.00 0.00 O ATOM 379 CB ARG A 27 5.866 13.745 -30.021 1.00 0.00 C ATOM 380 CG ARG A 27 7.002 13.139 -30.788 1.00 0.00 C ATOM 381 CD ARG A 27 8.266 13.160 -30.004 1.00 0.00 C ATOM 382 NE ARG A 27 9.365 12.697 -30.854 1.00 0.00 N ATOM 383 CZ ARG A 27 9.754 11.442 -31.028 1.00 0.00 C ATOM 384 NH1 ARG A 27 9.201 10.444 -30.392 1.00 0.00 N ATOM 385 NH2 ARG A 27 10.723 11.196 -31.870 1.00 0.00 N ATOM 0 H ARG A 27 4.782 16.064 -31.348 1.00 0.00 H new ATOM 0 HA ARG A 27 4.432 13.151 -31.519 1.00 0.00 H new ATOM 0 HB2 ARG A 27 6.197 14.681 -29.571 1.00 0.00 H new ATOM 0 HB3 ARG A 27 5.590 13.079 -29.204 1.00 0.00 H new ATOM 0 HG2 ARG A 27 6.755 12.111 -31.053 1.00 0.00 H new ATOM 0 HG3 ARG A 27 7.143 13.684 -31.721 1.00 0.00 H new ATOM 0 HD2 ARG A 27 8.468 14.169 -29.644 1.00 0.00 H new ATOM 0 HD3 ARG A 27 8.175 12.521 -29.126 1.00 0.00 H new ATOM 0 HE ARG A 27 9.883 13.413 -31.364 1.00 0.00 H new ATOM 0 HH11 ARG A 27 8.441 10.617 -29.734 1.00 0.00 H new ATOM 0 HH12 ARG A 27 9.529 9.492 -30.554 1.00 0.00 H new ATOM 0 HH21 ARG A 27 11.164 11.963 -32.378 1.00 0.00 H new ATOM 0 HH22 ARG A 27 11.038 10.237 -32.019 1.00 0.00 H new ATOM 399 N VAL A 28 2.950 13.167 -29.480 1.00 0.00 N ATOM 400 CA VAL A 28 1.894 13.217 -28.496 1.00 0.00 C ATOM 401 C VAL A 28 2.204 12.168 -27.438 1.00 0.00 C ATOM 402 O VAL A 28 2.350 10.986 -27.741 1.00 0.00 O ATOM 403 CB VAL A 28 0.514 12.886 -29.150 1.00 0.00 C ATOM 404 CG1 VAL A 28 -0.641 13.211 -28.165 1.00 0.00 C ATOM 405 CG2 VAL A 28 0.299 13.655 -30.444 1.00 0.00 C ATOM 0 H VAL A 28 3.225 12.226 -29.760 1.00 0.00 H new ATOM 0 HA VAL A 28 1.839 14.216 -28.064 1.00 0.00 H new ATOM 0 HB VAL A 28 0.517 11.821 -29.382 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.596 12.975 -28.634 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -0.525 12.616 -27.259 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -0.614 14.270 -27.909 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -0.672 13.395 -30.865 1.00 0.00 H new ATOM 0 HG22 VAL A 28 0.331 14.725 -30.241 1.00 0.00 H new ATOM 0 HG23 VAL A 28 1.083 13.397 -31.155 1.00 0.00 H new ATOM 415 N GLY A 29 2.296 12.609 -26.191 1.00 0.00 N ATOM 416 CA GLY A 29 2.499 11.696 -25.074 1.00 0.00 C ATOM 417 C GLY A 29 1.168 11.030 -24.728 1.00 0.00 C ATOM 418 O GLY A 29 0.106 11.456 -25.175 1.00 0.00 O ATOM 0 H GLY A 29 2.233 13.592 -25.927 1.00 0.00 H new ATOM 0 HA2 GLY A 29 3.241 10.941 -25.335 1.00 0.00 H new ATOM 0 HA3 GLY A 29 2.885 12.238 -24.210 1.00 0.00 H new ATOM 422 N VAL A 30 1.198 10.003 -23.892 1.00 0.00 N ATOM 423 CA VAL A 30 -0.045 9.336 -23.485 1.00 0.00 C ATOM 424 C VAL A 30 -0.882 10.236 -22.588 1.00 0.00 C ATOM 425 O VAL A 30 -2.085 10.057 -22.479 1.00 0.00 O ATOM 426 CB VAL A 30 0.226 7.993 -22.735 1.00 0.00 C ATOM 427 CG1 VAL A 30 0.291 6.837 -23.742 1.00 0.00 C ATOM 428 CG2 VAL A 30 1.530 8.063 -21.904 1.00 0.00 C ATOM 0 H VAL A 30 2.048 9.614 -23.485 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.590 9.120 -24.404 1.00 0.00 H new ATOM 0 HB VAL A 30 -0.597 7.818 -22.042 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.480 5.903 -23.212 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.657 6.766 -24.276 1.00 0.00 H new ATOM 0 HG13 VAL A 30 1.096 7.020 -24.454 1.00 0.00 H new ATOM 0 HG21 VAL A 30 1.689 7.112 -21.395 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.372 8.265 -22.565 1.00 0.00 H new ATOM 0 HG23 VAL A 30 1.449 8.861 -21.166 1.00 0.00 H new ATOM 438 N ASP A 31 -0.257 11.222 -21.970 1.00 0.00 N ATOM 439 CA ASP A 31 -0.953 12.118 -21.047 1.00 0.00 C ATOM 440 C ASP A 31 -0.948 13.541 -21.609 1.00 0.00 C ATOM 441 O ASP A 31 -1.073 14.506 -20.877 1.00 0.00 O ATOM 442 CB ASP A 31 -0.292 12.078 -19.674 1.00 0.00 C ATOM 443 CG ASP A 31 -1.259 12.414 -18.547 1.00 0.00 C ATOM 444 OD1 ASP A 31 -2.486 12.201 -18.718 1.00 0.00 O ATOM 445 OD2 ASP A 31 -0.780 12.761 -17.447 1.00 0.00 O ATOM 0 H ASP A 31 0.735 11.428 -22.087 1.00 0.00 H new ATOM 0 HA ASP A 31 -1.986 11.788 -20.936 1.00 0.00 H new ATOM 0 HB2 ASP A 31 0.126 11.086 -19.505 1.00 0.00 H new ATOM 0 HB3 ASP A 31 0.540 12.782 -19.655 1.00 0.00 H new ATOM 450 N ASP A 32 -0.741 13.665 -22.904 1.00 0.00 N ATOM 451 CA ASP A 32 -0.598 14.989 -23.500 1.00 0.00 C ATOM 452 C ASP A 32 -1.932 15.719 -23.588 1.00 0.00 C ATOM 453 O ASP A 32 -2.920 15.187 -24.111 1.00 0.00 O ATOM 454 CB ASP A 32 0.004 14.879 -24.881 1.00 0.00 C ATOM 455 CG ASP A 32 1.140 15.835 -25.079 1.00 0.00 C ATOM 456 OD1 ASP A 32 1.061 16.977 -24.578 1.00 0.00 O ATOM 457 OD2 ASP A 32 2.155 15.416 -25.669 1.00 0.00 O ATOM 0 H ASP A 32 -0.668 12.886 -23.558 1.00 0.00 H new ATOM 0 HA ASP A 32 0.063 15.565 -22.852 1.00 0.00 H new ATOM 0 HB2 ASP A 32 0.356 13.860 -25.042 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -0.766 15.072 -25.628 1.00 0.00 H new ATOM 462 N ALA A 33 -1.989 16.925 -23.060 1.00 0.00 N ATOM 463 CA ALA A 33 -3.244 17.678 -23.020 1.00 0.00 C ATOM 464 C ALA A 33 -3.555 18.290 -24.389 1.00 0.00 C ATOM 465 O ALA A 33 -2.903 19.222 -24.827 1.00 0.00 O ATOM 466 CB ALA A 33 -3.156 18.763 -21.967 1.00 0.00 C ATOM 0 H ALA A 33 -1.190 17.410 -22.652 1.00 0.00 H new ATOM 0 HA ALA A 33 -4.053 16.994 -22.763 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -4.092 19.321 -21.940 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -2.976 18.310 -20.992 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -2.337 19.440 -22.210 1.00 0.00 H new ATOM 472 N PHE A 34 -4.651 17.831 -24.974 1.00 0.00 N ATOM 473 CA PHE A 34 -5.135 18.309 -26.285 1.00 0.00 C ATOM 474 C PHE A 34 -5.196 19.831 -26.347 1.00 0.00 C ATOM 475 O PHE A 34 -4.821 20.437 -27.343 1.00 0.00 O ATOM 476 CB PHE A 34 -6.521 17.701 -26.556 1.00 0.00 C ATOM 477 CG PHE A 34 -7.042 17.942 -27.955 1.00 0.00 C ATOM 478 CD1 PHE A 34 -6.644 17.113 -29.015 1.00 0.00 C ATOM 479 CD2 PHE A 34 -7.971 18.983 -28.211 1.00 0.00 C ATOM 480 CE1 PHE A 34 -7.139 17.316 -30.329 1.00 0.00 C ATOM 481 CE2 PHE A 34 -8.479 19.184 -29.527 1.00 0.00 C ATOM 482 CZ PHE A 34 -8.059 18.348 -30.583 1.00 0.00 C ATOM 0 H PHE A 34 -5.242 17.111 -24.559 1.00 0.00 H new ATOM 0 HA PHE A 34 -4.432 17.989 -27.054 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -6.475 16.627 -26.378 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -7.232 18.113 -25.840 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -5.950 16.307 -28.827 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -8.294 19.626 -27.405 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -6.809 16.677 -31.135 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -9.187 19.978 -29.716 1.00 0.00 H new ATOM 0 HZ PHE A 34 -8.442 18.500 -31.581 1.00 0.00 H new ATOM 492 N HIS A 35 -5.662 20.453 -25.269 1.00 0.00 N ATOM 493 CA HIS A 35 -5.824 21.913 -25.252 1.00 0.00 C ATOM 494 C HIS A 35 -4.492 22.685 -25.182 1.00 0.00 C ATOM 495 O HIS A 35 -4.434 23.827 -25.608 1.00 0.00 O ATOM 496 CB HIS A 35 -6.728 22.335 -24.080 1.00 0.00 C ATOM 497 CG HIS A 35 -6.120 22.082 -22.732 1.00 0.00 C ATOM 498 ND1 HIS A 35 -6.517 21.049 -21.870 1.00 0.00 N ATOM 499 CD2 HIS A 35 -5.129 22.720 -22.058 1.00 0.00 C ATOM 500 CE1 HIS A 35 -5.759 21.093 -20.778 1.00 0.00 C ATOM 501 NE2 HIS A 35 -4.917 22.081 -20.881 1.00 0.00 N ATOM 0 H HIS A 35 -5.932 19.983 -24.405 1.00 0.00 H new ATOM 0 HA HIS A 35 -6.287 22.175 -26.203 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -6.957 23.397 -24.173 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -7.674 21.798 -24.150 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -4.596 23.594 -22.403 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -5.830 20.417 -19.939 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -4.212 22.333 -20.188 1.00 0.00 H new ATOM 509 N ASP A 36 -3.444 22.082 -24.628 1.00 0.00 N ATOM 510 CA ASP A 36 -2.154 22.772 -24.480 1.00 0.00 C ATOM 511 C ASP A 36 -1.384 22.620 -25.782 1.00 0.00 C ATOM 512 O ASP A 36 -0.563 23.456 -26.141 1.00 0.00 O ATOM 513 CB ASP A 36 -1.349 22.203 -23.308 1.00 0.00 C ATOM 514 CG ASP A 36 -1.922 22.611 -21.956 1.00 0.00 C ATOM 515 OD1 ASP A 36 -2.372 23.771 -21.823 1.00 0.00 O ATOM 516 OD2 ASP A 36 -2.025 21.753 -21.055 1.00 0.00 O ATOM 0 H ASP A 36 -3.456 21.125 -24.275 1.00 0.00 H new ATOM 0 HA ASP A 36 -2.328 23.826 -24.265 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -1.330 21.115 -23.378 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -0.317 22.545 -23.380 1.00 0.00 H new ATOM 521 N LEU A 37 -1.741 21.586 -26.534 1.00 0.00 N ATOM 522 CA LEU A 37 -1.197 21.355 -27.873 1.00 0.00 C ATOM 523 C LEU A 37 -1.891 22.257 -28.905 1.00 0.00 C ATOM 524 O LEU A 37 -1.753 22.053 -30.102 1.00 0.00 O ATOM 525 CB LEU A 37 -1.399 19.884 -28.256 1.00 0.00 C ATOM 526 CG LEU A 37 -0.728 18.835 -27.363 1.00 0.00 C ATOM 527 CD1 LEU A 37 -1.347 17.461 -27.585 1.00 0.00 C ATOM 528 CD2 LEU A 37 0.761 18.722 -27.662 1.00 0.00 C ATOM 0 H LEU A 37 -2.416 20.882 -26.236 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.133 21.594 -27.866 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -2.470 19.682 -28.271 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.035 19.746 -29.274 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.877 19.160 -26.333 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.855 16.732 -26.941 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -2.410 17.498 -27.346 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.219 17.169 -28.627 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.207 17.970 -27.011 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.902 18.431 -28.703 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.242 19.684 -27.486 1.00 0.00 H new ATOM 540 N GLY A 38 -2.661 23.235 -28.433 1.00 0.00 N ATOM 541 CA GLY A 38 -3.347 24.171 -29.315 1.00 0.00 C ATOM 542 C GLY A 38 -4.754 23.751 -29.690 1.00 0.00 C ATOM 543 O GLY A 38 -5.426 24.403 -30.493 1.00 0.00 O ATOM 0 H GLY A 38 -2.825 23.399 -27.440 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -3.388 25.147 -28.831 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -2.761 24.292 -30.226 1.00 0.00 H new ATOM 547 N GLY A 39 -5.210 22.653 -29.114 1.00 0.00 N ATOM 548 CA GLY A 39 -6.525 22.131 -29.425 1.00 0.00 C ATOM 549 C GLY A 39 -7.683 22.990 -28.960 1.00 0.00 C ATOM 550 O GLY A 39 -7.643 23.645 -27.923 1.00 0.00 O ATOM 0 H GLY A 39 -4.688 22.107 -28.429 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -6.601 21.999 -30.504 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -6.622 21.143 -28.976 1.00 0.00 H new ATOM 554 N SER A 40 -8.752 22.951 -29.739 1.00 0.00 N ATOM 555 CA SER A 40 -9.959 23.723 -29.466 1.00 0.00 C ATOM 556 C SER A 40 -11.140 22.814 -29.746 1.00 0.00 C ATOM 557 O SER A 40 -10.964 21.758 -30.337 1.00 0.00 O ATOM 558 CB SER A 40 -10.010 24.935 -30.392 1.00 0.00 C ATOM 559 OG SER A 40 -10.019 24.510 -31.747 1.00 0.00 O ATOM 0 H SER A 40 -8.810 22.381 -30.583 1.00 0.00 H new ATOM 0 HA SER A 40 -9.975 24.076 -28.435 1.00 0.00 H new ATOM 0 HB2 SER A 40 -10.901 25.527 -30.182 1.00 0.00 H new ATOM 0 HB3 SER A 40 -9.150 25.579 -30.210 1.00 0.00 H new ATOM 0 HG SER A 40 -10.054 25.293 -32.335 1.00 0.00 H new ATOM 565 N SER A 41 -12.346 23.230 -29.382 1.00 0.00 N ATOM 566 CA SER A 41 -13.542 22.428 -29.659 1.00 0.00 C ATOM 567 C SER A 41 -13.746 22.240 -31.164 1.00 0.00 C ATOM 568 O SER A 41 -14.259 21.212 -31.613 1.00 0.00 O ATOM 569 CB SER A 41 -14.770 23.104 -29.055 1.00 0.00 C ATOM 570 OG SER A 41 -14.526 23.422 -27.695 1.00 0.00 O ATOM 0 H SER A 41 -12.527 24.110 -28.898 1.00 0.00 H new ATOM 0 HA SER A 41 -13.404 21.446 -29.207 1.00 0.00 H new ATOM 0 HB2 SER A 41 -15.008 24.010 -29.612 1.00 0.00 H new ATOM 0 HB3 SER A 41 -15.634 22.445 -29.134 1.00 0.00 H new ATOM 0 HG SER A 41 -15.317 23.857 -27.314 1.00 0.00 H new ATOM 576 N ALA A 42 -13.294 23.217 -31.941 1.00 0.00 N ATOM 577 CA ALA A 42 -13.385 23.163 -33.394 1.00 0.00 C ATOM 578 C ALA A 42 -12.537 22.011 -33.943 1.00 0.00 C ATOM 579 O ALA A 42 -12.902 21.375 -34.926 1.00 0.00 O ATOM 580 CB ALA A 42 -12.919 24.500 -33.987 1.00 0.00 C ATOM 0 H ALA A 42 -12.856 24.066 -31.583 1.00 0.00 H new ATOM 0 HA ALA A 42 -14.422 22.987 -33.679 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -12.987 24.459 -35.074 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -13.553 25.304 -33.614 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -11.886 24.687 -33.695 1.00 0.00 H new ATOM 586 N LEU A 43 -11.412 21.745 -33.298 1.00 0.00 N ATOM 587 CA LEU A 43 -10.551 20.629 -33.683 1.00 0.00 C ATOM 588 C LEU A 43 -11.038 19.326 -33.049 1.00 0.00 C ATOM 589 O LEU A 43 -10.950 18.269 -33.650 1.00 0.00 O ATOM 590 CB LEU A 43 -9.101 20.905 -33.264 1.00 0.00 C ATOM 591 CG LEU A 43 -8.364 22.000 -34.058 1.00 0.00 C ATOM 592 CD1 LEU A 43 -7.005 22.254 -33.432 1.00 0.00 C ATOM 593 CD2 LEU A 43 -8.184 21.607 -35.528 1.00 0.00 C ATOM 0 H LEU A 43 -11.070 22.286 -32.504 1.00 0.00 H new ATOM 0 HA LEU A 43 -10.593 20.525 -34.767 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -9.095 21.183 -32.210 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -8.536 19.977 -33.353 1.00 0.00 H new ATOM 0 HG LEU A 43 -8.969 22.906 -34.022 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -6.484 23.029 -33.995 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -7.135 22.580 -32.400 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -6.418 21.336 -33.451 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -7.660 22.404 -36.056 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -7.602 20.687 -35.590 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -9.161 21.450 -35.985 1.00 0.00 H new ATOM 605 N ALA A 44 -11.577 19.414 -31.842 1.00 0.00 N ATOM 606 CA ALA A 44 -12.046 18.241 -31.110 1.00 0.00 C ATOM 607 C ALA A 44 -13.133 17.479 -31.877 1.00 0.00 C ATOM 608 O ALA A 44 -13.174 16.262 -31.859 1.00 0.00 O ATOM 609 CB ALA A 44 -12.566 18.661 -29.733 1.00 0.00 C ATOM 0 H ALA A 44 -11.702 20.294 -31.342 1.00 0.00 H new ATOM 0 HA ALA A 44 -11.199 17.565 -30.991 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -12.914 17.781 -29.192 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -11.763 19.138 -29.171 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -13.391 19.363 -29.854 1.00 0.00 H new ATOM 615 N MET A 45 -14.007 18.183 -32.572 1.00 0.00 N ATOM 616 CA MET A 45 -15.052 17.512 -33.348 1.00 0.00 C ATOM 617 C MET A 45 -14.482 16.772 -34.554 1.00 0.00 C ATOM 618 O MET A 45 -15.032 15.772 -34.998 1.00 0.00 O ATOM 619 CB MET A 45 -16.111 18.519 -33.774 1.00 0.00 C ATOM 620 CG MET A 45 -15.665 19.518 -34.821 1.00 0.00 C ATOM 621 SD MET A 45 -16.948 20.737 -35.147 1.00 0.00 S ATOM 622 CE MET A 45 -16.129 21.799 -36.333 1.00 0.00 C ATOM 0 H MET A 45 -14.022 19.202 -32.620 1.00 0.00 H new ATOM 0 HA MET A 45 -15.515 16.761 -32.708 1.00 0.00 H new ATOM 0 HB2 MET A 45 -16.974 17.975 -34.158 1.00 0.00 H new ATOM 0 HB3 MET A 45 -16.446 19.066 -32.892 1.00 0.00 H new ATOM 0 HG2 MET A 45 -14.759 20.021 -34.484 1.00 0.00 H new ATOM 0 HG3 MET A 45 -15.415 18.994 -35.744 1.00 0.00 H new ATOM 0 HE1 MET A 45 -16.803 22.603 -36.628 1.00 0.00 H new ATOM 0 HE2 MET A 45 -15.232 22.224 -35.882 1.00 0.00 H new ATOM 0 HE3 MET A 45 -15.852 21.217 -37.212 1.00 0.00 H new ATOM 632 N ARG A 46 -13.351 17.242 -35.063 1.00 0.00 N ATOM 633 CA ARG A 46 -12.692 16.573 -36.185 1.00 0.00 C ATOM 634 C ARG A 46 -12.000 15.326 -35.649 1.00 0.00 C ATOM 635 O ARG A 46 -11.879 14.330 -36.339 1.00 0.00 O ATOM 636 CB ARG A 46 -11.654 17.482 -36.853 1.00 0.00 C ATOM 637 CG ARG A 46 -12.191 18.846 -37.291 1.00 0.00 C ATOM 638 CD ARG A 46 -13.365 18.716 -38.250 1.00 0.00 C ATOM 639 NE ARG A 46 -13.685 20.011 -38.841 1.00 0.00 N ATOM 640 CZ ARG A 46 -14.709 20.232 -39.668 1.00 0.00 C ATOM 641 NH1 ARG A 46 -15.570 19.285 -39.990 1.00 0.00 N ATOM 642 NH2 ARG A 46 -14.880 21.424 -40.177 1.00 0.00 N ATOM 0 H ARG A 46 -12.872 18.076 -34.723 1.00 0.00 H new ATOM 0 HA ARG A 46 -13.440 16.318 -36.936 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -10.827 17.637 -36.160 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -11.248 16.969 -37.725 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -12.501 19.412 -36.413 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -11.393 19.413 -37.770 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -13.123 18.000 -39.036 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -14.234 18.326 -37.720 1.00 0.00 H new ATOM 0 HE ARG A 46 -13.085 20.802 -38.606 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -15.465 18.347 -39.603 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -16.341 19.491 -40.626 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -14.233 22.177 -39.941 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -15.660 21.601 -40.810 1.00 0.00 H new ATOM 656 N LEU A 47 -11.559 15.417 -34.413 1.00 0.00 N ATOM 657 CA LEU A 47 -10.871 14.301 -33.756 1.00 0.00 C ATOM 658 C LEU A 47 -11.874 13.181 -33.551 1.00 0.00 C ATOM 659 O LEU A 47 -11.622 12.035 -33.872 1.00 0.00 O ATOM 660 CB LEU A 47 -10.291 14.736 -32.407 1.00 0.00 C ATOM 661 CG LEU A 47 -9.564 13.674 -31.606 1.00 0.00 C ATOM 662 CD1 LEU A 47 -8.247 13.250 -32.242 1.00 0.00 C ATOM 663 CD2 LEU A 47 -9.307 14.213 -30.198 1.00 0.00 C ATOM 0 H LEU A 47 -11.660 16.250 -33.833 1.00 0.00 H new ATOM 0 HA LEU A 47 -10.044 13.963 -34.381 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -9.601 15.561 -32.583 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -11.105 15.126 -31.796 1.00 0.00 H new ATOM 0 HG LEU A 47 -10.197 12.787 -31.577 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -7.773 12.488 -31.623 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -8.437 12.844 -33.236 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -7.587 14.114 -32.323 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -8.784 13.459 -29.610 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -8.696 15.114 -30.259 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -10.257 14.451 -29.720 1.00 0.00 H new ATOM 675 N ILE A 48 -13.047 13.556 -33.050 1.00 0.00 N ATOM 676 CA ILE A 48 -14.127 12.592 -32.816 1.00 0.00 C ATOM 677 C ILE A 48 -14.498 11.933 -34.137 1.00 0.00 C ATOM 678 O ILE A 48 -14.696 10.722 -34.192 1.00 0.00 O ATOM 679 CB ILE A 48 -15.340 13.289 -32.176 1.00 0.00 C ATOM 680 CG1 ILE A 48 -14.975 13.762 -30.745 1.00 0.00 C ATOM 681 CG2 ILE A 48 -16.579 12.340 -32.126 1.00 0.00 C ATOM 682 CD1 ILE A 48 -15.887 14.820 -30.189 1.00 0.00 C ATOM 0 H ILE A 48 -13.278 14.517 -32.797 1.00 0.00 H new ATOM 0 HA ILE A 48 -13.791 11.822 -32.121 1.00 0.00 H new ATOM 0 HB ILE A 48 -15.603 14.150 -32.790 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -14.987 12.901 -30.077 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -13.955 14.146 -30.751 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -17.419 12.862 -31.668 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -16.847 12.038 -33.138 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -16.337 11.456 -31.536 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -15.559 15.092 -29.186 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -15.858 15.700 -30.832 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -16.906 14.436 -30.146 1.00 0.00 H new ATOM 694 N ALA A 49 -14.565 12.709 -35.209 1.00 0.00 N ATOM 695 CA ALA A 49 -14.897 12.139 -36.513 1.00 0.00 C ATOM 696 C ALA A 49 -13.872 11.086 -36.936 1.00 0.00 C ATOM 697 O ALA A 49 -14.224 10.010 -37.352 1.00 0.00 O ATOM 698 CB ALA A 49 -15.010 13.255 -37.566 1.00 0.00 C ATOM 0 H ALA A 49 -14.398 13.715 -35.208 1.00 0.00 H new ATOM 0 HA ALA A 49 -15.862 11.639 -36.433 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -15.258 12.819 -38.534 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -15.793 13.954 -37.272 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -14.060 13.784 -37.639 1.00 0.00 H new ATOM 704 N ARG A 50 -12.589 11.377 -36.777 1.00 0.00 N ATOM 705 CA ARG A 50 -11.525 10.438 -37.147 1.00 0.00 C ATOM 706 C ARG A 50 -11.573 9.187 -36.309 1.00 0.00 C ATOM 707 O ARG A 50 -11.268 8.106 -36.767 1.00 0.00 O ATOM 708 CB ARG A 50 -10.154 11.088 -36.926 1.00 0.00 C ATOM 709 CG ARG A 50 -9.556 11.737 -38.128 1.00 0.00 C ATOM 710 CD ARG A 50 -9.209 10.735 -39.227 1.00 0.00 C ATOM 711 NE ARG A 50 -8.292 11.290 -40.250 1.00 0.00 N ATOM 712 CZ ARG A 50 -6.971 11.116 -40.273 1.00 0.00 C ATOM 713 NH1 ARG A 50 -6.331 10.398 -39.390 1.00 0.00 N ATOM 714 NH2 ARG A 50 -6.274 11.689 -41.208 1.00 0.00 N ATOM 0 H ARG A 50 -12.252 12.260 -36.392 1.00 0.00 H new ATOM 0 HA ARG A 50 -11.676 10.181 -38.195 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -10.247 11.836 -36.138 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -9.463 10.327 -36.563 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -10.254 12.475 -38.522 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -8.655 12.275 -37.835 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -8.751 9.854 -38.776 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -10.127 10.404 -39.712 1.00 0.00 H new ATOM 0 HE ARG A 50 -8.705 11.850 -40.996 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -6.844 9.939 -38.638 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -5.318 10.296 -39.453 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -6.739 12.263 -41.912 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -5.262 11.565 -41.238 1.00 0.00 H new ATOM 728 N ILE A 51 -11.950 9.340 -35.052 1.00 0.00 N ATOM 729 CA ILE A 51 -12.007 8.225 -34.137 1.00 0.00 C ATOM 730 C ILE A 51 -13.025 7.172 -34.615 1.00 0.00 C ATOM 731 O ILE A 51 -12.806 5.981 -34.498 1.00 0.00 O ATOM 732 CB ILE A 51 -12.316 8.681 -32.690 1.00 0.00 C ATOM 733 CG1 ILE A 51 -11.048 9.305 -32.079 1.00 0.00 C ATOM 734 CG2 ILE A 51 -12.800 7.485 -31.825 1.00 0.00 C ATOM 735 CD1 ILE A 51 -11.282 10.087 -30.802 1.00 0.00 C ATOM 0 H ILE A 51 -12.222 10.234 -34.644 1.00 0.00 H new ATOM 0 HA ILE A 51 -11.020 7.764 -34.126 1.00 0.00 H new ATOM 0 HB ILE A 51 -13.115 9.422 -32.711 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -10.329 8.511 -31.877 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -10.593 9.966 -32.816 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -13.011 7.830 -30.813 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -13.706 7.064 -32.261 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -12.023 6.721 -31.794 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -10.335 10.490 -30.443 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -11.974 10.906 -30.999 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -11.706 9.428 -30.044 1.00 0.00 H new ATOM 747 N ARG A 52 -14.090 7.640 -35.273 1.00 0.00 N ATOM 748 CA ARG A 52 -15.092 6.703 -35.786 1.00 0.00 C ATOM 749 C ARG A 52 -14.569 5.865 -36.919 1.00 0.00 C ATOM 750 O ARG A 52 -14.994 4.745 -37.110 1.00 0.00 O ATOM 751 CB ARG A 52 -16.266 7.437 -36.314 1.00 0.00 C ATOM 752 CG ARG A 52 -16.954 8.324 -35.302 1.00 0.00 C ATOM 753 CD ARG A 52 -18.115 9.013 -35.996 1.00 0.00 C ATOM 754 NE ARG A 52 -19.218 8.080 -36.118 1.00 0.00 N ATOM 755 CZ ARG A 52 -20.114 8.116 -37.113 1.00 0.00 C ATOM 756 NH1 ARG A 52 -20.050 8.989 -38.116 1.00 0.00 N ATOM 757 NH2 ARG A 52 -21.081 7.245 -37.117 1.00 0.00 N ATOM 0 H ARG A 52 -14.277 8.625 -35.458 1.00 0.00 H new ATOM 0 HA ARG A 52 -15.358 6.063 -34.944 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -15.947 8.049 -37.158 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -16.988 6.716 -36.697 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -17.310 7.734 -34.458 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -16.256 9.061 -34.904 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -18.426 9.890 -35.428 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -17.809 9.364 -36.982 1.00 0.00 H new ATOM 0 HE ARG A 52 -19.317 7.356 -35.407 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -19.293 9.672 -38.150 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -20.758 8.975 -38.850 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -21.146 6.552 -36.371 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -21.774 7.255 -37.866 1.00 0.00 H new ATOM 771 N GLU A 53 -13.642 6.426 -37.684 1.00 0.00 N ATOM 772 CA GLU A 53 -13.110 5.788 -38.908 1.00 0.00 C ATOM 773 C GLU A 53 -12.167 4.703 -38.385 1.00 0.00 C ATOM 774 O GLU A 53 -12.026 3.620 -38.972 1.00 0.00 O ATOM 775 CB GLU A 53 -12.336 6.754 -39.724 1.00 0.00 C ATOM 776 CG GLU A 53 -13.073 8.087 -40.050 1.00 0.00 C ATOM 777 CD GLU A 53 -14.265 7.931 -40.951 1.00 0.00 C ATOM 778 OE1 GLU A 53 -14.351 6.917 -41.683 1.00 0.00 O ATOM 779 OE2 GLU A 53 -15.103 8.854 -40.985 1.00 0.00 O ATOM 0 H GLU A 53 -13.229 7.337 -37.484 1.00 0.00 H new ATOM 0 HA GLU A 53 -13.909 5.405 -39.543 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -11.410 6.988 -39.199 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -12.058 6.272 -40.662 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -13.396 8.548 -39.116 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -12.367 8.774 -40.517 1.00 0.00 H new ATOM 786 N GLU A 54 -11.426 5.042 -37.315 1.00 0.00 N ATOM 787 CA GLU A 54 -10.323 4.205 -36.852 1.00 0.00 C ATOM 788 C GLU A 54 -10.763 3.156 -35.821 1.00 0.00 C ATOM 789 O GLU A 54 -10.349 2.004 -35.905 1.00 0.00 O ATOM 790 CB GLU A 54 -9.257 5.100 -36.248 1.00 0.00 C ATOM 791 CG GLU A 54 -8.393 5.802 -37.300 1.00 0.00 C ATOM 792 CD GLU A 54 -6.927 5.398 -37.184 1.00 0.00 C ATOM 793 OE1 GLU A 54 -6.603 4.212 -37.415 1.00 0.00 O ATOM 794 OE2 GLU A 54 -6.103 6.270 -36.850 1.00 0.00 O ATOM 0 H GLU A 54 -11.576 5.886 -36.763 1.00 0.00 H new ATOM 0 HA GLU A 54 -9.935 3.657 -37.711 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -9.735 5.851 -35.620 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -8.616 4.504 -35.599 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -8.761 5.556 -38.296 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -8.484 6.882 -37.184 1.00 0.00 H new ATOM 801 N LEU A 55 -11.551 3.566 -34.832 1.00 0.00 N ATOM 802 CA LEU A 55 -11.919 2.664 -33.757 1.00 0.00 C ATOM 803 C LEU A 55 -13.332 2.110 -33.972 1.00 0.00 C ATOM 804 O LEU A 55 -13.793 1.257 -33.233 1.00 0.00 O ATOM 805 CB LEU A 55 -11.875 3.355 -32.399 1.00 0.00 C ATOM 806 CG LEU A 55 -10.566 4.059 -31.969 1.00 0.00 C ATOM 807 CD1 LEU A 55 -10.757 4.579 -30.522 1.00 0.00 C ATOM 808 CD2 LEU A 55 -9.336 3.157 -32.009 1.00 0.00 C ATOM 0 H LEU A 55 -11.941 4.506 -34.756 1.00 0.00 H new ATOM 0 HA LEU A 55 -11.192 1.852 -33.768 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -12.672 4.098 -32.380 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -12.115 2.610 -31.640 1.00 0.00 H new ATOM 0 HG LEU A 55 -10.381 4.863 -32.682 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -9.847 5.081 -30.193 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -11.589 5.282 -30.495 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -10.969 3.740 -29.859 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -8.459 3.723 -31.694 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -9.483 2.312 -31.337 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -9.186 2.791 -33.025 1.00 0.00 H new ATOM 820 N GLY A 56 -14.011 2.654 -34.975 1.00 0.00 N ATOM 821 CA GLY A 56 -15.364 2.196 -35.302 1.00 0.00 C ATOM 822 C GLY A 56 -16.442 2.625 -34.326 1.00 0.00 C ATOM 823 O GLY A 56 -17.519 2.034 -34.311 1.00 0.00 O ATOM 0 H GLY A 56 -13.657 3.402 -35.571 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -15.626 2.565 -36.294 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -15.359 1.107 -35.358 1.00 0.00 H new ATOM 827 N VAL A 57 -16.168 3.620 -33.490 1.00 0.00 N ATOM 828 CA VAL A 57 -17.123 4.057 -32.466 1.00 0.00 C ATOM 829 C VAL A 57 -17.153 5.571 -32.356 1.00 0.00 C ATOM 830 O VAL A 57 -16.191 6.246 -32.707 1.00 0.00 O ATOM 831 CB VAL A 57 -16.769 3.475 -31.041 1.00 0.00 C ATOM 832 CG1 VAL A 57 -16.895 1.940 -31.036 1.00 0.00 C ATOM 833 CG2 VAL A 57 -15.346 3.880 -30.597 1.00 0.00 C ATOM 0 H VAL A 57 -15.292 4.143 -33.498 1.00 0.00 H new ATOM 0 HA VAL A 57 -18.096 3.681 -32.781 1.00 0.00 H new ATOM 0 HB VAL A 57 -17.481 3.899 -30.333 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -16.647 1.558 -30.046 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -17.917 1.658 -31.288 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -16.210 1.516 -31.770 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -15.139 3.461 -29.612 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -14.619 3.499 -31.314 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -15.275 4.967 -30.551 1.00 0.00 H new ATOM 843 N ASP A 58 -18.260 6.103 -31.862 1.00 0.00 N ATOM 844 CA ASP A 58 -18.386 7.541 -31.641 1.00 0.00 C ATOM 845 C ASP A 58 -17.778 7.895 -30.290 1.00 0.00 C ATOM 846 O ASP A 58 -18.159 7.333 -29.262 1.00 0.00 O ATOM 847 CB ASP A 58 -19.854 7.956 -31.651 1.00 0.00 C ATOM 848 CG ASP A 58 -20.024 9.457 -31.580 1.00 0.00 C ATOM 849 OD1 ASP A 58 -19.352 10.160 -32.365 1.00 0.00 O ATOM 850 OD2 ASP A 58 -20.824 9.936 -30.750 1.00 0.00 O ATOM 0 H ASP A 58 -19.086 5.563 -31.605 1.00 0.00 H new ATOM 0 HA ASP A 58 -17.864 8.067 -32.440 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -20.330 7.581 -32.557 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -20.366 7.494 -30.807 1.00 0.00 H new ATOM 855 N LEU A 59 -16.804 8.793 -30.291 1.00 0.00 N ATOM 856 CA LEU A 59 -16.138 9.189 -29.052 1.00 0.00 C ATOM 857 C LEU A 59 -17.085 10.088 -28.229 1.00 0.00 C ATOM 858 O LEU A 59 -17.473 11.169 -28.683 1.00 0.00 O ATOM 859 CB LEU A 59 -14.836 9.932 -29.374 1.00 0.00 C ATOM 860 CG LEU A 59 -13.801 10.237 -28.264 1.00 0.00 C ATOM 861 CD1 LEU A 59 -14.296 11.164 -27.173 1.00 0.00 C ATOM 862 CD2 LEU A 59 -13.266 8.952 -27.638 1.00 0.00 C ATOM 0 H LEU A 59 -16.457 9.261 -31.128 1.00 0.00 H new ATOM 0 HA LEU A 59 -15.893 8.302 -28.468 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -14.321 9.356 -30.143 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -15.114 10.886 -29.823 1.00 0.00 H new ATOM 0 HG LEU A 59 -12.999 10.768 -28.778 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -13.504 11.320 -26.441 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -14.580 12.121 -27.610 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -15.161 10.719 -26.682 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -12.541 9.199 -26.862 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -14.091 8.391 -27.199 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -12.783 8.347 -28.405 1.00 0.00 H new ATOM 874 N PRO A 60 -17.426 9.684 -26.990 1.00 0.00 N ATOM 875 CA PRO A 60 -18.289 10.547 -26.168 1.00 0.00 C ATOM 876 C PRO A 60 -17.594 11.841 -25.734 1.00 0.00 C ATOM 877 O PRO A 60 -16.726 11.843 -24.858 1.00 0.00 O ATOM 878 CB PRO A 60 -18.626 9.650 -24.973 1.00 0.00 C ATOM 879 CG PRO A 60 -17.449 8.729 -24.861 1.00 0.00 C ATOM 880 CD PRO A 60 -17.052 8.449 -26.274 1.00 0.00 C ATOM 0 HA PRO A 60 -19.168 10.898 -26.709 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -18.763 10.234 -24.063 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -19.550 9.097 -25.139 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -16.634 9.193 -24.305 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -17.712 7.812 -24.334 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -15.985 8.245 -26.358 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -17.575 7.580 -26.673 1.00 0.00 H new ATOM 888 N ILE A 61 -17.985 12.954 -26.342 1.00 0.00 N ATOM 889 CA ILE A 61 -17.340 14.259 -26.103 1.00 0.00 C ATOM 890 C ILE A 61 -17.305 14.716 -24.632 1.00 0.00 C ATOM 891 O ILE A 61 -16.404 15.424 -24.222 1.00 0.00 O ATOM 892 CB ILE A 61 -18.001 15.352 -27.001 1.00 0.00 C ATOM 893 CG1 ILE A 61 -17.058 16.569 -27.121 1.00 0.00 C ATOM 894 CG2 ILE A 61 -19.404 15.759 -26.483 1.00 0.00 C ATOM 895 CD1 ILE A 61 -17.447 17.575 -28.215 1.00 0.00 C ATOM 0 H ILE A 61 -18.753 12.988 -27.013 1.00 0.00 H new ATOM 0 HA ILE A 61 -16.294 14.119 -26.375 1.00 0.00 H new ATOM 0 HB ILE A 61 -18.155 14.933 -27.995 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -17.031 17.087 -26.162 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -16.048 16.211 -27.318 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -19.827 16.521 -27.138 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -20.056 14.886 -26.475 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -19.317 16.157 -25.472 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -16.730 18.396 -28.226 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -17.444 17.077 -29.185 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -18.443 17.967 -28.011 1.00 0.00 H new ATOM 907 N ARG A 62 -18.240 14.265 -23.808 1.00 0.00 N ATOM 908 CA ARG A 62 -18.204 14.591 -22.378 1.00 0.00 C ATOM 909 C ARG A 62 -16.957 13.994 -21.725 1.00 0.00 C ATOM 910 O ARG A 62 -16.361 14.613 -20.858 1.00 0.00 O ATOM 911 CB ARG A 62 -19.455 14.085 -21.649 1.00 0.00 C ATOM 912 CG ARG A 62 -20.691 14.976 -21.816 1.00 0.00 C ATOM 913 CD ARG A 62 -20.588 16.302 -21.017 1.00 0.00 C ATOM 914 NE ARG A 62 -20.651 16.097 -19.557 1.00 0.00 N ATOM 915 CZ ARG A 62 -21.745 16.180 -18.804 1.00 0.00 C ATOM 916 NH1 ARG A 62 -22.930 16.454 -19.298 1.00 0.00 N ATOM 917 NH2 ARG A 62 -21.643 15.987 -17.524 1.00 0.00 N ATOM 0 H ARG A 62 -19.025 13.680 -24.093 1.00 0.00 H new ATOM 0 HA ARG A 62 -18.176 15.677 -22.295 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -19.692 13.085 -22.012 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -19.229 13.994 -20.587 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -20.829 15.204 -22.873 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -21.575 14.428 -21.490 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -19.652 16.801 -21.269 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -21.396 16.968 -21.321 1.00 0.00 H new ATOM 0 HE ARG A 62 -19.777 15.871 -19.082 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -23.041 16.614 -20.299 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -23.740 16.507 -18.681 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -20.735 15.776 -17.111 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -22.471 16.047 -16.932 1.00 0.00 H new ATOM 931 N GLN A 63 -16.533 12.824 -22.185 1.00 0.00 N ATOM 932 CA GLN A 63 -15.343 12.178 -21.642 1.00 0.00 C ATOM 933 C GLN A 63 -14.107 12.891 -22.172 1.00 0.00 C ATOM 934 O GLN A 63 -13.111 13.002 -21.485 1.00 0.00 O ATOM 935 CB GLN A 63 -15.312 10.698 -21.999 1.00 0.00 C ATOM 936 CG GLN A 63 -16.535 9.947 -21.501 1.00 0.00 C ATOM 937 CD GLN A 63 -16.723 10.014 -20.008 1.00 0.00 C ATOM 938 OE1 GLN A 63 -16.122 9.284 -19.268 1.00 0.00 O ATOM 939 NE2 GLN A 63 -17.565 10.916 -19.570 1.00 0.00 N ATOM 0 H GLN A 63 -16.994 12.303 -22.931 1.00 0.00 H new ATOM 0 HA GLN A 63 -15.362 12.247 -20.554 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -15.242 10.591 -23.081 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -14.416 10.245 -21.575 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -17.422 10.352 -21.988 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -16.456 8.902 -21.801 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -18.057 11.518 -20.230 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -17.729 11.017 -18.568 1.00 0.00 H new ATOM 948 N LEU A 64 -14.198 13.417 -23.390 1.00 0.00 N ATOM 949 CA LEU A 64 -13.090 14.170 -23.993 1.00 0.00 C ATOM 950 C LEU A 64 -12.840 15.450 -23.211 1.00 0.00 C ATOM 951 O LEU A 64 -11.704 15.813 -22.959 1.00 0.00 O ATOM 952 CB LEU A 64 -13.397 14.499 -25.445 1.00 0.00 C ATOM 953 CG LEU A 64 -12.237 15.091 -26.256 1.00 0.00 C ATOM 954 CD1 LEU A 64 -11.023 14.143 -26.316 1.00 0.00 C ATOM 955 CD2 LEU A 64 -12.733 15.394 -27.670 1.00 0.00 C ATOM 0 H LEU A 64 -15.025 13.339 -23.983 1.00 0.00 H new ATOM 0 HA LEU A 64 -12.193 13.552 -23.958 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -13.734 13.589 -25.940 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -14.229 15.203 -25.470 1.00 0.00 H new ATOM 0 HG LEU A 64 -11.904 16.003 -25.761 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -10.228 14.606 -26.901 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -10.664 13.948 -25.306 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -11.318 13.204 -26.784 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -11.918 15.816 -28.259 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -13.081 14.473 -28.139 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -13.554 16.109 -27.622 1.00 0.00 H new ATOM 967 N PHE A 65 -13.904 16.131 -22.811 1.00 0.00 N ATOM 968 CA PHE A 65 -13.759 17.351 -22.021 1.00 0.00 C ATOM 969 C PHE A 65 -13.281 17.036 -20.606 1.00 0.00 C ATOM 970 O PHE A 65 -12.494 17.778 -20.034 1.00 0.00 O ATOM 971 CB PHE A 65 -15.084 18.113 -21.949 1.00 0.00 C ATOM 972 CG PHE A 65 -15.549 18.687 -23.272 1.00 0.00 C ATOM 973 CD1 PHE A 65 -14.630 19.123 -24.262 1.00 0.00 C ATOM 974 CD2 PHE A 65 -16.931 18.828 -23.522 1.00 0.00 C ATOM 975 CE1 PHE A 65 -15.096 19.698 -25.478 1.00 0.00 C ATOM 976 CE2 PHE A 65 -17.396 19.400 -24.734 1.00 0.00 C ATOM 977 CZ PHE A 65 -16.477 19.834 -25.707 1.00 0.00 C ATOM 0 H PHE A 65 -14.867 15.866 -23.016 1.00 0.00 H new ATOM 0 HA PHE A 65 -13.013 17.973 -22.516 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -15.854 17.443 -21.567 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -14.983 18.926 -21.230 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -13.569 19.018 -24.091 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -17.643 18.496 -22.781 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -14.389 20.030 -26.224 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -18.457 19.502 -24.910 1.00 0.00 H new ATOM 0 HZ PHE A 65 -16.832 20.271 -26.629 1.00 0.00 H new ATOM 987 N SER A 66 -13.776 15.945 -20.036 1.00 0.00 N ATOM 988 CA SER A 66 -13.415 15.566 -18.669 1.00 0.00 C ATOM 989 C SER A 66 -11.973 15.059 -18.590 1.00 0.00 C ATOM 990 O SER A 66 -11.329 15.149 -17.547 1.00 0.00 O ATOM 991 CB SER A 66 -14.354 14.473 -18.163 1.00 0.00 C ATOM 992 OG SER A 66 -14.137 14.210 -16.794 1.00 0.00 O ATOM 0 H SER A 66 -14.426 15.307 -20.494 1.00 0.00 H new ATOM 0 HA SER A 66 -13.506 16.456 -18.047 1.00 0.00 H new ATOM 0 HB2 SER A 66 -15.389 14.778 -18.318 1.00 0.00 H new ATOM 0 HB3 SER A 66 -14.200 13.561 -18.740 1.00 0.00 H new ATOM 0 HG SER A 66 -14.752 13.508 -16.494 1.00 0.00 H new ATOM 998 N SER A 67 -11.478 14.498 -19.685 1.00 0.00 N ATOM 999 CA SER A 67 -10.124 13.959 -19.745 1.00 0.00 C ATOM 1000 C SER A 67 -9.523 14.252 -21.122 1.00 0.00 C ATOM 1001 O SER A 67 -9.556 13.410 -22.009 1.00 0.00 O ATOM 1002 CB SER A 67 -10.172 12.447 -19.498 1.00 0.00 C ATOM 1003 OG SER A 67 -10.782 12.175 -18.249 1.00 0.00 O ATOM 0 H SER A 67 -12.001 14.403 -20.555 1.00 0.00 H new ATOM 0 HA SER A 67 -9.502 14.425 -18.981 1.00 0.00 H new ATOM 0 HB2 SER A 67 -10.729 11.958 -20.297 1.00 0.00 H new ATOM 0 HB3 SER A 67 -9.163 12.036 -19.515 1.00 0.00 H new ATOM 0 HG SER A 67 -10.533 11.275 -17.953 1.00 0.00 H new ATOM 1009 N PRO A 68 -8.959 15.458 -21.310 1.00 0.00 N ATOM 1010 CA PRO A 68 -8.427 15.875 -22.627 1.00 0.00 C ATOM 1011 C PRO A 68 -7.044 15.300 -22.966 1.00 0.00 C ATOM 1012 O PRO A 68 -6.265 15.965 -23.637 1.00 0.00 O ATOM 1013 CB PRO A 68 -8.374 17.401 -22.477 1.00 0.00 C ATOM 1014 CG PRO A 68 -8.026 17.594 -21.066 1.00 0.00 C ATOM 1015 CD PRO A 68 -8.842 16.558 -20.323 1.00 0.00 C ATOM 0 HA PRO A 68 -9.044 15.512 -23.449 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -7.629 17.844 -23.138 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -9.331 17.862 -22.721 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -6.958 17.452 -20.899 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -8.269 18.603 -20.733 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -8.344 16.230 -19.410 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -9.818 16.945 -20.032 1.00 0.00 H new ATOM 1023 N THR A 69 -6.748 14.096 -22.508 1.00 0.00 N ATOM 1024 CA THR A 69 -5.485 13.431 -22.829 1.00 0.00 C ATOM 1025 C THR A 69 -5.809 12.130 -23.529 1.00 0.00 C ATOM 1026 O THR A 69 -6.900 11.574 -23.335 1.00 0.00 O ATOM 1027 CB THR A 69 -4.630 13.132 -21.573 1.00 0.00 C ATOM 1028 OG1 THR A 69 -5.340 12.263 -20.696 1.00 0.00 O ATOM 1029 CG2 THR A 69 -4.331 14.371 -20.825 1.00 0.00 C ATOM 0 H THR A 69 -7.367 13.551 -21.908 1.00 0.00 H new ATOM 0 HA THR A 69 -4.900 14.098 -23.462 1.00 0.00 H new ATOM 0 HB THR A 69 -3.702 12.671 -21.913 1.00 0.00 H new ATOM 0 HG1 THR A 69 -4.792 12.077 -19.905 1.00 0.00 H new ATOM 0 HG21 THR A 69 -3.730 14.131 -19.948 1.00 0.00 H new ATOM 0 HG22 THR A 69 -3.779 15.059 -21.466 1.00 0.00 H new ATOM 0 HG23 THR A 69 -5.263 14.839 -20.508 1.00 0.00 H new ATOM 1037 N PRO A 70 -4.893 11.619 -24.373 1.00 0.00 N ATOM 1038 CA PRO A 70 -5.318 10.441 -25.129 1.00 0.00 C ATOM 1039 C PRO A 70 -5.474 9.168 -24.285 1.00 0.00 C ATOM 1040 O PRO A 70 -6.370 8.362 -24.555 1.00 0.00 O ATOM 1041 CB PRO A 70 -4.205 10.310 -26.190 1.00 0.00 C ATOM 1042 CG PRO A 70 -3.045 10.863 -25.557 1.00 0.00 C ATOM 1043 CD PRO A 70 -3.539 12.044 -24.775 1.00 0.00 C ATOM 0 HA PRO A 70 -6.318 10.560 -25.546 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -4.046 9.269 -26.473 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -4.458 10.853 -27.101 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -2.568 10.132 -24.904 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -2.301 11.164 -26.295 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -2.906 12.252 -23.912 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -3.561 12.950 -25.380 1.00 0.00 H new ATOM 1051 N ALA A 71 -4.686 8.996 -23.235 1.00 0.00 N ATOM 1052 CA ALA A 71 -4.878 7.846 -22.364 1.00 0.00 C ATOM 1053 C ALA A 71 -6.013 8.122 -21.391 1.00 0.00 C ATOM 1054 O ALA A 71 -6.692 7.201 -20.940 1.00 0.00 O ATOM 1055 CB ALA A 71 -3.595 7.520 -21.595 1.00 0.00 C ATOM 0 H ALA A 71 -3.925 9.621 -22.969 1.00 0.00 H new ATOM 0 HA ALA A 71 -5.132 6.984 -22.982 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -3.766 6.657 -20.952 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -2.795 7.294 -22.300 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -3.309 8.377 -20.985 1.00 0.00 H new ATOM 1061 N GLY A 72 -6.210 9.386 -21.055 1.00 0.00 N ATOM 1062 CA GLY A 72 -7.233 9.732 -20.092 1.00 0.00 C ATOM 1063 C GLY A 72 -8.598 9.439 -20.641 1.00 0.00 C ATOM 1064 O GLY A 72 -9.397 8.783 -19.991 1.00 0.00 O ATOM 0 H GLY A 72 -5.683 10.175 -21.429 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -7.078 9.170 -19.171 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -7.157 10.789 -19.837 1.00 0.00 H new ATOM 1068 N VAL A 73 -8.853 9.910 -21.846 1.00 0.00 N ATOM 1069 CA VAL A 73 -10.151 9.748 -22.447 1.00 0.00 C ATOM 1070 C VAL A 73 -10.470 8.249 -22.642 1.00 0.00 C ATOM 1071 O VAL A 73 -11.577 7.842 -22.399 1.00 0.00 O ATOM 1072 CB VAL A 73 -10.271 10.566 -23.785 1.00 0.00 C ATOM 1073 CG1 VAL A 73 -9.450 9.963 -24.939 1.00 0.00 C ATOM 1074 CG2 VAL A 73 -11.735 10.722 -24.191 1.00 0.00 C ATOM 0 H VAL A 73 -8.175 10.407 -22.424 1.00 0.00 H new ATOM 0 HA VAL A 73 -10.901 10.157 -21.769 1.00 0.00 H new ATOM 0 HB VAL A 73 -9.847 11.550 -23.585 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -9.576 10.574 -25.833 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -8.396 9.938 -24.662 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -9.796 8.949 -25.141 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -11.797 11.291 -25.119 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -12.179 9.737 -24.339 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -12.276 11.250 -23.406 1.00 0.00 H new ATOM 1084 N ALA A 74 -9.453 7.467 -22.987 1.00 0.00 N ATOM 1085 CA ALA A 74 -9.631 6.027 -23.200 1.00 0.00 C ATOM 1086 C ALA A 74 -10.105 5.318 -21.921 1.00 0.00 C ATOM 1087 O ALA A 74 -10.990 4.486 -21.965 1.00 0.00 O ATOM 1088 CB ALA A 74 -8.281 5.427 -23.670 1.00 0.00 C ATOM 0 H ALA A 74 -8.499 7.800 -23.126 1.00 0.00 H new ATOM 0 HA ALA A 74 -10.400 5.877 -23.958 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -8.396 4.355 -23.833 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -7.975 5.905 -24.601 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -7.521 5.598 -22.907 1.00 0.00 H new ATOM 1094 N ARG A 75 -9.494 5.662 -20.806 1.00 0.00 N ATOM 1095 CA ARG A 75 -9.836 5.069 -19.537 1.00 0.00 C ATOM 1096 C ARG A 75 -11.126 5.658 -18.976 1.00 0.00 C ATOM 1097 O ARG A 75 -11.871 4.970 -18.298 1.00 0.00 O ATOM 1098 CB ARG A 75 -8.678 5.226 -18.530 1.00 0.00 C ATOM 1099 CG ARG A 75 -7.408 4.548 -19.054 1.00 0.00 C ATOM 1100 CD ARG A 75 -6.308 4.493 -17.983 1.00 0.00 C ATOM 1101 NE ARG A 75 -4.976 4.328 -18.581 1.00 0.00 N ATOM 1102 CZ ARG A 75 -4.487 3.212 -19.121 1.00 0.00 C ATOM 1103 NH1 ARG A 75 -5.177 2.102 -19.223 1.00 0.00 N ATOM 1104 NH2 ARG A 75 -3.265 3.195 -19.559 1.00 0.00 N ATOM 0 H ARG A 75 -8.750 6.358 -20.757 1.00 0.00 H new ATOM 0 HA ARG A 75 -10.004 4.005 -19.703 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -8.485 6.284 -18.353 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -8.961 4.789 -17.572 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -7.645 3.537 -19.384 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -7.040 5.089 -19.926 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -6.330 5.408 -17.391 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -6.506 3.667 -17.300 1.00 0.00 H new ATOM 0 HE ARG A 75 -4.367 5.146 -18.583 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -6.137 2.065 -18.880 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -4.754 1.276 -19.645 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -2.686 4.032 -19.489 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -2.884 2.345 -19.974 1.00 0.00 H new ATOM 1118 N ALA A 76 -11.396 6.920 -19.261 1.00 0.00 N ATOM 1119 CA ALA A 76 -12.623 7.580 -18.790 1.00 0.00 C ATOM 1120 C ALA A 76 -13.881 6.979 -19.425 1.00 0.00 C ATOM 1121 O ALA A 76 -14.819 6.604 -18.734 1.00 0.00 O ATOM 1122 CB ALA A 76 -12.544 9.080 -19.097 1.00 0.00 C ATOM 0 H ALA A 76 -10.786 7.518 -19.818 1.00 0.00 H new ATOM 0 HA ALA A 76 -12.697 7.422 -17.714 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -13.453 9.571 -18.749 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -11.681 9.510 -18.589 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -12.442 9.226 -20.172 1.00 0.00 H new ATOM 1128 N LEU A 77 -13.879 6.835 -20.746 1.00 0.00 N ATOM 1129 CA LEU A 77 -15.019 6.225 -21.427 1.00 0.00 C ATOM 1130 C LEU A 77 -15.154 4.774 -21.022 1.00 0.00 C ATOM 1131 O LEU A 77 -16.249 4.250 -20.925 1.00 0.00 O ATOM 1132 CB LEU A 77 -14.879 6.361 -22.956 1.00 0.00 C ATOM 1133 CG LEU A 77 -13.662 5.699 -23.629 1.00 0.00 C ATOM 1134 CD1 LEU A 77 -13.812 4.269 -24.084 1.00 0.00 C ATOM 1135 CD2 LEU A 77 -13.272 6.593 -24.796 1.00 0.00 C ATOM 0 H LEU A 77 -13.117 7.126 -21.358 1.00 0.00 H new ATOM 0 HA LEU A 77 -15.925 6.751 -21.128 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -15.779 5.949 -23.412 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -14.858 7.424 -23.197 1.00 0.00 H new ATOM 0 HG LEU A 77 -12.893 5.615 -22.861 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -12.880 3.932 -24.539 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -14.047 3.637 -23.227 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -14.617 4.202 -24.815 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -12.410 6.166 -25.309 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -14.108 6.668 -25.492 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -13.018 7.586 -24.425 1.00 0.00 H new