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= 0.337 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 CYS SG : rot 75:sc= 0.278 USER MOD Single : A 19 TYR OH : rot -159:sc= 0.205 USER MOD Single : A 35 HIS : no HD1:sc= -0.137 X(o=-0.14,f=-0.24) USER MOD Single : A 40 SER OG : rot 180:sc= 0.02 USER MOD Single : A 41 SER OG : rot 180:sc= 0.0145 USER MOD Single : A 45 MET CE :methyl -169:sc= 0 (180deg=-0.129) USER MOD Single : A 63 GLN : amide:sc= -0.228 X(o=-0.23,f=-0.54) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= -0.0216 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.0426 USER MOD ----------------------------------------------------------------- ATOM 127 N THR A 11 -6.117 2.297 -26.015 1.00 5.13 N ATOM 128 CA THR A 11 -6.834 3.570 -26.107 1.00 71.14 C ATOM 129 C THR A 11 -5.908 4.765 -26.293 1.00 3.53 C ATOM 130 O THR A 11 -6.139 5.597 -27.165 1.00 53.23 O ATOM 131 CB THR A 11 -7.685 3.780 -24.839 1.00 0.50 C ATOM 132 OG1 THR A 11 -8.371 2.560 -24.537 1.00 23.21 O ATOM 133 CG2 THR A 11 -8.699 4.889 -25.033 1.00 11.10 C ATOM 0 HA THR A 11 -7.467 3.511 -26.992 1.00 71.14 H new ATOM 0 HB THR A 11 -7.025 4.064 -24.020 1.00 0.50 H new ATOM 0 HG1 THR A 11 -7.818 1.798 -24.808 1.00 23.21 H new ATOM 0 HG21 THR A 11 -9.283 5.012 -24.121 1.00 11.10 H new ATOM 0 HG22 THR A 11 -8.180 5.820 -25.260 1.00 11.10 H new ATOM 0 HG23 THR A 11 -9.364 4.634 -25.858 1.00 11.10 H new ATOM 141 N GLU A 12 -4.848 4.825 -25.506 1.00 42.15 N ATOM 142 CA GLU A 12 -3.881 5.919 -25.571 1.00 22.45 C ATOM 143 C GLU A 12 -3.283 6.023 -26.973 1.00 61.13 C ATOM 144 O GLU A 12 -3.046 7.101 -27.481 1.00 62.13 O ATOM 145 CB GLU A 12 -2.746 5.666 -24.562 1.00 21.14 C ATOM 146 CG GLU A 12 -3.157 5.840 -23.092 1.00 14.45 C ATOM 147 CD GLU A 12 -3.746 4.571 -22.443 1.00 72.01 C ATOM 148 OE1 GLU A 12 -4.842 4.111 -22.863 1.00 4.13 O ATOM 149 OE2 GLU A 12 -3.132 4.071 -21.487 1.00 43.43 O ATOM 0 H GLU A 12 -4.629 4.120 -24.803 1.00 42.15 H new ATOM 0 HA GLU A 12 -4.395 6.850 -25.331 1.00 22.45 H new ATOM 0 HB2 GLU A 12 -2.368 4.653 -24.704 1.00 21.14 H new ATOM 0 HB3 GLU A 12 -1.923 6.347 -24.780 1.00 21.14 H new ATOM 0 HG2 GLU A 12 -2.286 6.156 -22.518 1.00 14.45 H new ATOM 0 HG3 GLU A 12 -3.891 6.643 -23.025 1.00 14.45 H new ATOM 156 N LYS A 13 -3.034 4.880 -27.590 1.00 54.44 N ATOM 157 CA LYS A 13 -2.371 4.819 -28.895 1.00 44.32 C ATOM 158 C LYS A 13 -3.303 5.255 -30.003 1.00 54.21 C ATOM 159 O LYS A 13 -2.871 5.911 -30.962 1.00 45.43 O ATOM 160 CB LYS A 13 -1.884 3.385 -29.137 1.00 4.43 C ATOM 161 CG LYS A 13 -0.969 2.923 -28.002 1.00 23.34 C ATOM 162 CD LYS A 13 -0.550 1.495 -28.112 1.00 61.11 C ATOM 163 CE LYS A 13 0.197 1.125 -26.858 1.00 15.33 C ATOM 164 NZ LYS A 13 0.655 -0.271 -26.889 1.00 13.13 N ATOM 0 H LYS A 13 -3.282 3.968 -27.207 1.00 54.44 H new ATOM 0 HA LYS A 13 -1.522 5.503 -28.895 1.00 44.32 H new ATOM 0 HB2 LYS A 13 -2.739 2.714 -29.216 1.00 4.43 H new ATOM 0 HB3 LYS A 13 -1.349 3.333 -30.085 1.00 4.43 H new ATOM 0 HG2 LYS A 13 -0.080 3.553 -27.985 1.00 23.34 H new ATOM 0 HG3 LYS A 13 -1.482 3.070 -27.051 1.00 23.34 H new ATOM 0 HD2 LYS A 13 -1.421 0.852 -28.239 1.00 61.11 H new ATOM 0 HD3 LYS A 13 0.083 1.351 -28.988 1.00 61.11 H new ATOM 0 HE2 LYS A 13 1.055 1.787 -26.737 1.00 15.33 H new ATOM 0 HE3 LYS A 13 -0.448 1.277 -25.992 1.00 15.33 H new ATOM 0 HZ1 LYS A 13 1.165 -0.489 -26.009 1.00 13.13 H new ATOM 0 HZ2 LYS A 13 -0.166 -0.904 -26.979 1.00 13.13 H new ATOM 0 HZ3 LYS A 13 1.290 -0.410 -27.701 1.00 13.13 H new ATOM 178 N VAL A 14 -4.583 4.942 -29.857 1.00 3.11 N ATOM 179 CA VAL A 14 -5.587 5.366 -30.834 1.00 61.03 C ATOM 180 C VAL A 14 -5.687 6.874 -30.748 1.00 43.13 C ATOM 181 O VAL A 14 -5.683 7.558 -31.771 1.00 31.23 O ATOM 182 CB VAL A 14 -6.975 4.733 -30.528 1.00 33.54 C ATOM 183 CG1 VAL A 14 -8.062 5.264 -31.443 1.00 15.12 C ATOM 184 CG2 VAL A 14 -6.911 3.204 -30.689 1.00 3.43 C ATOM 0 H VAL A 14 -4.954 4.399 -29.077 1.00 3.11 H new ATOM 0 HA VAL A 14 -5.292 5.041 -31.832 1.00 61.03 H new ATOM 0 HB VAL A 14 -7.221 5.002 -29.501 1.00 33.54 H new ATOM 0 HG11 VAL A 14 -9.012 4.793 -31.191 1.00 15.12 H new ATOM 0 HG12 VAL A 14 -8.148 6.343 -31.318 1.00 15.12 H new ATOM 0 HG13 VAL A 14 -7.808 5.038 -32.479 1.00 15.12 H new ATOM 0 HG21 VAL A 14 -7.889 2.774 -30.472 1.00 3.43 H new ATOM 0 HG22 VAL A 14 -6.625 2.957 -31.712 1.00 3.43 H new ATOM 0 HG23 VAL A 14 -6.174 2.796 -29.998 1.00 3.43 H new ATOM 194 N LEU A 15 -5.747 7.392 -29.532 1.00 14.32 N ATOM 195 CA LEU A 15 -5.887 8.824 -29.314 1.00 23.40 C ATOM 196 C LEU A 15 -4.656 9.587 -29.782 1.00 35.53 C ATOM 197 O LEU A 15 -4.781 10.652 -30.366 1.00 40.31 O ATOM 198 CB LEU A 15 -6.110 9.086 -27.837 1.00 31.31 C ATOM 199 CG LEU A 15 -7.452 8.601 -27.271 1.00 71.22 C ATOM 200 CD1 LEU A 15 -7.316 8.529 -25.773 1.00 21.32 C ATOM 201 CD2 LEU A 15 -8.614 9.528 -27.672 1.00 71.43 C ATOM 0 H LEU A 15 -5.701 6.839 -28.676 1.00 14.32 H new ATOM 0 HA LEU A 15 -6.740 9.173 -29.896 1.00 23.40 H new ATOM 0 HB2 LEU A 15 -5.306 8.609 -27.277 1.00 31.31 H new ATOM 0 HB3 LEU A 15 -6.028 10.159 -27.660 1.00 31.31 H new ATOM 0 HG LEU A 15 -7.688 7.620 -27.683 1.00 71.22 H new ATOM 0 HD11 LEU A 15 -8.255 8.187 -25.338 1.00 21.32 H new ATOM 0 HD12 LEU A 15 -6.520 7.831 -25.513 1.00 21.32 H new ATOM 0 HD13 LEU A 15 -7.074 9.517 -25.382 1.00 21.32 H new ATOM 0 HD21 LEU A 15 -9.545 9.148 -27.251 1.00 71.43 H new ATOM 0 HD22 LEU A 15 -8.427 10.532 -27.291 1.00 71.43 H new ATOM 0 HD23 LEU A 15 -8.695 9.561 -28.759 1.00 71.43 H new ATOM 213 N CYS A 16 -3.476 9.034 -29.549 1.00 13.14 N ATOM 214 CA CYS A 16 -2.247 9.646 -30.047 1.00 54.21 C ATOM 215 C CYS A 16 -2.303 9.791 -31.559 1.00 72.31 C ATOM 216 O CYS A 16 -1.985 10.848 -32.079 1.00 14.35 O ATOM 217 CB CYS A 16 -1.022 8.802 -29.671 1.00 31.02 C ATOM 218 SG CYS A 16 -0.507 8.959 -27.942 1.00 21.51 S ATOM 0 H CYS A 16 -3.340 8.170 -29.023 1.00 13.14 H new ATOM 0 HA CYS A 16 -2.157 10.630 -29.587 1.00 54.21 H new ATOM 0 HB2 CYS A 16 -1.240 7.754 -29.879 1.00 31.02 H new ATOM 0 HB3 CYS A 16 -0.189 9.087 -30.313 1.00 31.02 H new ATOM 0 HG CYS A 16 -1.336 8.308 -27.181 1.00 21.51 H new ATOM 224 N ALA A 17 -2.726 8.756 -32.280 1.00 13.13 N ATOM 225 CA ALA A 17 -2.823 8.858 -33.730 1.00 44.11 C ATOM 226 C ALA A 17 -3.935 9.830 -34.153 1.00 2.52 C ATOM 227 O ALA A 17 -3.775 10.628 -35.063 1.00 31.34 O ATOM 228 CB ALA A 17 -3.037 7.471 -34.357 1.00 53.35 C ATOM 0 H ALA A 17 -3.002 7.854 -31.892 1.00 13.13 H new ATOM 0 HA ALA A 17 -1.880 9.260 -34.100 1.00 44.11 H new ATOM 0 HB1 ALA A 17 -3.107 7.568 -35.440 1.00 53.35 H new ATOM 0 HB2 ALA A 17 -2.197 6.824 -34.104 1.00 53.35 H new ATOM 0 HB3 ALA A 17 -3.959 7.036 -33.972 1.00 53.35 H new ATOM 234 N LEU A 18 -5.047 9.804 -33.448 1.00 20.52 N ATOM 235 CA LEU A 18 -6.167 10.704 -33.737 1.00 51.03 C ATOM 236 C LEU A 18 -5.795 12.165 -33.569 1.00 62.22 C ATOM 237 O LEU A 18 -6.260 13.012 -34.329 1.00 24.14 O ATOM 238 CB LEU A 18 -7.338 10.368 -32.830 1.00 75.13 C ATOM 239 CG LEU A 18 -8.613 9.963 -33.568 1.00 75.14 C ATOM 240 CD1 LEU A 18 -8.393 8.783 -34.529 1.00 12.33 C ATOM 241 CD2 LEU A 18 -9.659 9.586 -32.517 1.00 23.12 C ATOM 0 H LEU A 18 -5.209 9.170 -32.666 1.00 20.52 H new ATOM 0 HA LEU A 18 -6.442 10.557 -34.781 1.00 51.03 H new ATOM 0 HB2 LEU A 18 -7.045 9.556 -32.164 1.00 75.13 H new ATOM 0 HB3 LEU A 18 -7.555 11.232 -32.202 1.00 75.13 H new ATOM 0 HG LEU A 18 -8.943 10.803 -34.179 1.00 75.14 H new ATOM 0 HD11 LEU A 18 -9.332 8.538 -35.026 1.00 12.33 H new ATOM 0 HD12 LEU A 18 -7.648 9.056 -35.276 1.00 12.33 H new ATOM 0 HD13 LEU A 18 -8.043 7.917 -33.967 1.00 12.33 H new ATOM 0 HD21 LEU A 18 -10.584 9.291 -33.013 1.00 23.12 H new ATOM 0 HD22 LEU A 18 -9.289 8.755 -31.917 1.00 23.12 H new ATOM 0 HD23 LEU A 18 -9.851 10.443 -31.871 1.00 23.12 H new ATOM 253 N TYR A 19 -4.918 12.482 -32.629 1.00 63.23 N ATOM 254 CA TYR A 19 -4.450 13.847 -32.468 1.00 35.13 C ATOM 255 C TYR A 19 -3.738 14.242 -33.757 1.00 43.25 C ATOM 256 O TYR A 19 -3.983 15.330 -34.268 1.00 53.11 O ATOM 257 CB TYR A 19 -3.451 13.955 -31.316 1.00 21.33 C ATOM 258 CG TYR A 19 -4.015 14.294 -29.954 1.00 10.44 C ATOM 259 CD1 TYR A 19 -5.220 13.713 -29.477 1.00 42.24 C ATOM 260 CD2 TYR A 19 -3.306 15.155 -29.083 1.00 44.54 C ATOM 261 CE1 TYR A 19 -5.718 14.025 -28.182 1.00 64.05 C ATOM 262 CE2 TYR A 19 -3.817 15.457 -27.801 1.00 2.21 C ATOM 263 CZ TYR A 19 -5.014 14.903 -27.367 1.00 1.31 C ATOM 264 OH TYR A 19 -5.490 15.234 -26.119 1.00 70.41 O ATOM 0 H TYR A 19 -4.518 11.815 -31.969 1.00 63.23 H new ATOM 0 HA TYR A 19 -5.299 14.496 -32.252 1.00 35.13 H new ATOM 0 HB2 TYR A 19 -2.919 13.007 -31.237 1.00 21.33 H new ATOM 0 HB3 TYR A 19 -2.713 14.713 -31.576 1.00 21.33 H new ATOM 0 HD1 TYR A 19 -5.765 13.025 -30.106 1.00 42.24 H new ATOM 0 HD2 TYR A 19 -2.367 15.584 -29.401 1.00 44.54 H new ATOM 0 HE1 TYR A 19 -6.639 13.582 -27.834 1.00 64.05 H new ATOM 0 HE2 TYR A 19 -3.271 16.126 -27.152 1.00 2.21 H new ATOM 0 HH TYR A 19 -5.085 16.077 -25.827 1.00 70.41 H new ATOM 274 N ALA A 20 -2.887 13.362 -34.289 1.00 33.31 N ATOM 275 CA ALA A 20 -2.172 13.689 -35.498 1.00 20.25 C ATOM 276 C ALA A 20 -3.103 13.923 -36.691 1.00 30.25 C ATOM 277 O ALA A 20 -2.894 14.825 -37.487 1.00 54.23 O ATOM 278 CB ALA A 20 -1.178 12.536 -35.839 1.00 44.51 C ATOM 0 H ALA A 20 -2.687 12.439 -33.903 1.00 33.31 H new ATOM 0 HA ALA A 20 -1.637 14.621 -35.315 1.00 20.25 H new ATOM 0 HB1 ALA A 20 -0.636 12.781 -36.753 1.00 44.51 H new ATOM 0 HB2 ALA A 20 -0.470 12.412 -35.020 1.00 44.51 H new ATOM 0 HB3 ALA A 20 -1.732 11.609 -35.983 1.00 44.51 H new ATOM 284 N GLU A 21 -4.135 13.100 -36.809 1.00 65.41 N ATOM 285 CA GLU A 21 -5.071 13.202 -37.935 1.00 41.15 C ATOM 286 C GLU A 21 -5.831 14.525 -37.926 1.00 52.01 C ATOM 287 O GLU A 21 -6.226 15.044 -38.968 1.00 42.40 O ATOM 288 CB GLU A 21 -6.090 12.041 -37.863 1.00 15.44 C ATOM 289 CG GLU A 21 -5.477 10.650 -38.087 1.00 65.40 C ATOM 290 CD GLU A 21 -5.009 10.397 -39.526 1.00 75.31 C ATOM 291 OE1 GLU A 21 -5.851 10.489 -40.448 1.00 40.13 O ATOM 292 OE2 GLU A 21 -3.820 10.058 -39.725 1.00 20.41 O ATOM 0 H GLU A 21 -4.350 12.356 -36.146 1.00 65.41 H new ATOM 0 HA GLU A 21 -4.488 13.149 -38.855 1.00 41.15 H new ATOM 0 HB2 GLU A 21 -6.576 12.059 -36.887 1.00 15.44 H new ATOM 0 HB3 GLU A 21 -6.867 12.208 -38.609 1.00 15.44 H new ATOM 0 HG2 GLU A 21 -4.629 10.525 -37.413 1.00 65.40 H new ATOM 0 HG3 GLU A 21 -6.213 9.893 -37.817 1.00 65.40 H new ATOM 299 N ILE A 22 -6.077 15.033 -36.728 1.00 0.11 N ATOM 300 CA ILE A 22 -6.861 16.226 -36.534 1.00 24.30 C ATOM 301 C ILE A 22 -6.054 17.518 -36.515 1.00 43.20 C ATOM 302 O ILE A 22 -6.457 18.539 -37.076 1.00 73.12 O ATOM 303 CB ILE A 22 -7.664 16.055 -35.210 1.00 21.52 C ATOM 304 CG1 ILE A 22 -8.691 14.926 -35.303 1.00 21.41 C ATOM 305 CG2 ILE A 22 -8.433 17.387 -34.863 1.00 65.02 C ATOM 306 CD1 ILE A 22 -9.827 15.107 -36.298 1.00 12.54 C ATOM 0 H ILE A 22 -5.732 14.620 -35.862 1.00 0.11 H new ATOM 0 HA ILE A 22 -7.521 16.332 -37.395 1.00 24.30 H new ATOM 0 HB ILE A 22 -6.939 15.812 -34.433 1.00 21.52 H new ATOM 0 HG12 ILE A 22 -8.162 14.007 -35.556 1.00 21.41 H new ATOM 0 HG13 ILE A 22 -9.126 14.782 -34.314 1.00 21.41 H new ATOM 0 HG21 ILE A 22 -8.990 17.254 -33.936 1.00 65.02 H new ATOM 0 HG22 ILE A 22 -7.717 18.200 -34.743 1.00 65.02 H new ATOM 0 HG23 ILE A 22 -9.124 17.629 -35.670 1.00 65.02 H new ATOM 0 HD11 ILE A 22 -10.483 14.237 -36.264 1.00 12.54 H new ATOM 0 HD12 ILE A 22 -10.396 16.000 -36.042 1.00 12.54 H new ATOM 0 HD13 ILE A 22 -9.417 15.214 -37.302 1.00 12.54 H new ATOM 318 N LEU A 23 -4.873 17.449 -35.920 1.00 42.34 N ATOM 319 CA LEU A 23 -3.998 18.619 -35.804 1.00 15.10 C ATOM 320 C LEU A 23 -3.053 18.769 -37.003 1.00 33.34 C ATOM 321 O LEU A 23 -2.555 19.860 -37.276 1.00 40.31 O ATOM 322 CB LEU A 23 -3.165 18.522 -34.521 1.00 65.15 C ATOM 323 CG LEU A 23 -3.977 18.542 -33.211 1.00 32.45 C ATOM 324 CD1 LEU A 23 -3.214 17.840 -32.109 1.00 52.34 C ATOM 325 CD2 LEU A 23 -4.273 19.975 -32.797 1.00 44.31 C ATOM 0 H LEU A 23 -4.493 16.597 -35.508 1.00 42.34 H new ATOM 0 HA LEU A 23 -4.644 19.496 -35.777 1.00 15.10 H new ATOM 0 HB2 LEU A 23 -2.581 17.602 -34.554 1.00 65.15 H new ATOM 0 HB3 LEU A 23 -2.456 19.350 -34.503 1.00 65.15 H new ATOM 0 HG LEU A 23 -4.918 18.018 -33.380 1.00 32.45 H new ATOM 0 HD11 LEU A 23 -3.800 17.862 -31.190 1.00 52.34 H new ATOM 0 HD12 LEU A 23 -3.029 16.805 -32.397 1.00 52.34 H new ATOM 0 HD13 LEU A 23 -2.263 18.347 -31.945 1.00 52.34 H new ATOM 0 HD21 LEU A 23 -4.847 19.975 -31.870 1.00 44.31 H new ATOM 0 HD22 LEU A 23 -3.336 20.510 -32.643 1.00 44.31 H new ATOM 0 HD23 LEU A 23 -4.849 20.468 -33.580 1.00 44.31 H new ATOM 337 N GLY A 24 -2.820 17.679 -37.727 1.00 73.12 N ATOM 338 CA GLY A 24 -1.931 17.744 -38.881 1.00 31.23 C ATOM 339 C GLY A 24 -0.456 17.768 -38.511 1.00 12.44 C ATOM 340 O GLY A 24 0.368 18.315 -39.248 1.00 35.11 O ATOM 0 H GLY A 24 -3.223 16.761 -37.542 1.00 73.12 H new ATOM 0 HA2 GLY A 24 -2.122 16.886 -39.525 1.00 31.23 H new ATOM 0 HA3 GLY A 24 -2.166 18.636 -39.461 1.00 31.23 H new ATOM 344 N VAL A 25 -0.106 17.202 -37.364 1.00 61.41 N ATOM 345 CA VAL A 25 1.282 17.199 -36.889 1.00 71.12 C ATOM 346 C VAL A 25 1.951 15.837 -37.121 1.00 2.31 C ATOM 347 O VAL A 25 1.288 14.806 -37.195 1.00 61.13 O ATOM 348 CB VAL A 25 1.371 17.602 -35.378 1.00 73.24 C ATOM 349 CG1 VAL A 25 0.883 19.059 -35.187 1.00 4.43 C ATOM 350 CG2 VAL A 25 0.575 16.642 -34.501 1.00 14.20 C ATOM 0 H VAL A 25 -0.763 16.736 -36.739 1.00 61.41 H new ATOM 0 HA VAL A 25 1.821 17.946 -37.472 1.00 71.12 H new ATOM 0 HB VAL A 25 2.414 17.539 -35.068 1.00 73.24 H new ATOM 0 HG11 VAL A 25 0.949 19.330 -34.133 1.00 4.43 H new ATOM 0 HG12 VAL A 25 1.508 19.732 -35.774 1.00 4.43 H new ATOM 0 HG13 VAL A 25 -0.152 19.143 -35.519 1.00 4.43 H new ATOM 0 HG21 VAL A 25 0.657 16.949 -33.458 1.00 14.20 H new ATOM 0 HG22 VAL A 25 -0.472 16.657 -34.803 1.00 14.20 H new ATOM 0 HG23 VAL A 25 0.971 15.633 -34.614 1.00 14.20 H new ATOM 360 N GLU A 26 3.269 15.854 -37.293 1.00 73.10 N ATOM 361 CA GLU A 26 4.043 14.652 -37.637 1.00 13.34 C ATOM 362 C GLU A 26 4.091 13.637 -36.505 1.00 65.02 C ATOM 363 O GLU A 26 4.265 12.425 -36.737 1.00 11.45 O ATOM 364 CB GLU A 26 5.492 15.048 -37.907 1.00 13.43 C ATOM 365 CG GLU A 26 5.694 15.907 -39.124 1.00 1.20 C ATOM 366 CD GLU A 26 7.160 16.180 -39.402 1.00 12.33 C ATOM 367 OE1 GLU A 26 7.805 16.860 -38.566 1.00 42.15 O ATOM 368 OE2 GLU A 26 7.681 15.667 -40.403 1.00 11.24 O ATOM 0 H GLU A 26 3.836 16.697 -37.199 1.00 73.10 H new ATOM 0 HA GLU A 26 3.552 14.209 -38.503 1.00 13.34 H new ATOM 0 HB2 GLU A 26 5.877 15.579 -37.037 1.00 13.43 H new ATOM 0 HB3 GLU A 26 6.087 14.142 -38.016 1.00 13.43 H new ATOM 0 HG2 GLU A 26 5.248 15.417 -39.989 1.00 1.20 H new ATOM 0 HG3 GLU A 26 5.170 16.853 -38.989 1.00 1.20 H new ATOM 375 N ARG A 27 4.026 14.101 -35.263 1.00 53.13 N ATOM 376 CA ARG A 27 4.240 13.202 -34.118 1.00 73.42 C ATOM 377 C ARG A 27 3.392 13.648 -32.958 1.00 24.32 C ATOM 378 O ARG A 27 3.143 14.840 -32.823 1.00 63.23 O ATOM 379 CB ARG A 27 5.714 13.243 -33.726 1.00 71.50 C ATOM 380 CG ARG A 27 6.116 12.249 -32.635 1.00 41.54 C ATOM 381 CD ARG A 27 7.570 12.394 -32.293 1.00 4.00 C ATOM 382 NE ARG A 27 7.955 11.442 -31.252 1.00 23.12 N ATOM 383 CZ ARG A 27 9.164 11.359 -30.709 1.00 1.43 C ATOM 384 NH1 ARG A 27 10.155 12.141 -31.069 1.00 51.33 N ATOM 385 NH2 ARG A 27 9.377 10.464 -29.790 1.00 51.54 N ATOM 0 H ARG A 27 3.832 15.072 -35.018 1.00 53.13 H new ATOM 0 HA ARG A 27 3.960 12.184 -34.390 1.00 73.42 H new ATOM 0 HB2 ARG A 27 6.317 13.050 -34.613 1.00 71.50 H new ATOM 0 HB3 ARG A 27 5.958 14.250 -33.388 1.00 71.50 H new ATOM 0 HG2 ARG A 27 5.510 12.415 -31.744 1.00 41.54 H new ATOM 0 HG3 ARG A 27 5.916 11.232 -32.972 1.00 41.54 H new ATOM 0 HD2 ARG A 27 8.176 12.230 -33.184 1.00 4.00 H new ATOM 0 HD3 ARG A 27 7.769 13.411 -31.954 1.00 4.00 H new ATOM 0 HE ARG A 27 7.242 10.794 -30.918 1.00 23.12 H new ATOM 0 HH11 ARG A 27 10.012 12.846 -31.792 1.00 51.33 H new ATOM 0 HH12 ARG A 27 11.068 12.044 -30.626 1.00 51.33 H new ATOM 0 HH21 ARG A 27 8.623 9.842 -29.499 1.00 51.54 H new ATOM 0 HH22 ARG A 27 10.299 10.384 -29.360 1.00 51.54 H new ATOM 399 N VAL A 28 2.974 12.705 -32.125 1.00 70.24 N ATOM 400 CA VAL A 28 2.219 12.992 -30.903 1.00 44.14 C ATOM 401 C VAL A 28 2.777 12.077 -29.826 1.00 55.42 C ATOM 402 O VAL A 28 2.989 10.887 -30.010 1.00 44.43 O ATOM 403 CB VAL A 28 0.706 12.652 -31.086 1.00 45.24 C ATOM 404 CG1 VAL A 28 -0.106 13.146 -29.905 1.00 54.34 C ATOM 405 CG2 VAL A 28 0.170 13.266 -32.386 1.00 0.10 C ATOM 0 H VAL A 28 3.148 11.711 -32.275 1.00 70.24 H new ATOM 0 HA VAL A 28 2.309 14.049 -30.651 1.00 44.14 H new ATOM 0 HB VAL A 28 0.610 11.568 -31.142 1.00 45.24 H new ATOM 0 HG11 VAL A 28 -1.156 12.897 -30.056 1.00 54.34 H new ATOM 0 HG12 VAL A 28 0.252 12.669 -28.992 1.00 54.34 H new ATOM 0 HG13 VAL A 28 0.002 14.227 -29.816 1.00 54.34 H new ATOM 0 HG21 VAL A 28 -0.886 13.019 -32.497 1.00 0.10 H new ATOM 0 HG22 VAL A 28 0.287 14.349 -32.352 1.00 0.10 H new ATOM 0 HG23 VAL A 28 0.727 12.867 -33.234 1.00 0.10 H new ATOM 415 N GLY A 29 3.083 12.672 -28.668 1.00 34.53 N ATOM 416 CA GLY A 29 3.532 11.923 -27.496 1.00 10.30 C ATOM 417 C GLY A 29 2.340 11.613 -26.583 1.00 3.13 C ATOM 418 O GLY A 29 1.235 12.056 -26.848 1.00 43.01 O ATOM 0 H GLY A 29 3.026 13.680 -28.520 1.00 34.53 H new ATOM 0 HA2 GLY A 29 4.012 10.996 -27.809 1.00 10.30 H new ATOM 0 HA3 GLY A 29 4.279 12.500 -26.950 1.00 10.30 H new ATOM 422 N VAL A 30 2.539 10.796 -25.567 1.00 74.15 N ATOM 423 CA VAL A 30 1.409 10.421 -24.684 1.00 41.00 C ATOM 424 C VAL A 30 0.946 11.562 -23.783 1.00 21.11 C ATOM 425 O VAL A 30 -0.198 11.607 -23.344 1.00 35.45 O ATOM 426 CB VAL A 30 1.747 9.162 -23.816 1.00 4.20 C ATOM 427 CG1 VAL A 30 1.619 7.880 -24.658 1.00 23.15 C ATOM 428 CG2 VAL A 30 3.157 9.251 -23.212 1.00 0.43 C ATOM 0 H VAL A 30 3.438 10.380 -25.322 1.00 74.15 H new ATOM 0 HA VAL A 30 0.584 10.180 -25.355 1.00 41.00 H new ATOM 0 HB VAL A 30 1.030 9.129 -22.996 1.00 4.20 H new ATOM 0 HG11 VAL A 30 1.857 7.014 -24.041 1.00 23.15 H new ATOM 0 HG12 VAL A 30 0.599 7.790 -25.031 1.00 23.15 H new ATOM 0 HG13 VAL A 30 2.310 7.927 -25.499 1.00 23.15 H new ATOM 0 HG21 VAL A 30 3.355 8.360 -22.617 1.00 0.43 H new ATOM 0 HG22 VAL A 30 3.892 9.323 -24.013 1.00 0.43 H new ATOM 0 HG23 VAL A 30 3.226 10.134 -22.577 1.00 0.43 H new ATOM 438 N ASP A 31 1.842 12.490 -23.582 1.00 11.11 N ATOM 439 CA ASP A 31 1.621 13.638 -22.723 1.00 63.11 C ATOM 440 C ASP A 31 1.556 14.907 -23.548 1.00 75.32 C ATOM 441 O ASP A 31 1.698 16.005 -23.026 1.00 11.22 O ATOM 442 CB ASP A 31 2.738 13.714 -21.679 1.00 64.31 C ATOM 443 CG ASP A 31 2.641 12.623 -20.652 1.00 54.11 C ATOM 444 OD1 ASP A 31 1.574 12.500 -20.006 1.00 43.44 O ATOM 445 OD2 ASP A 31 3.632 11.874 -20.487 1.00 73.12 O ATOM 0 H ASP A 31 2.765 12.476 -24.015 1.00 11.11 H new ATOM 0 HA ASP A 31 0.667 13.529 -22.206 1.00 63.11 H new ATOM 0 HB2 ASP A 31 3.704 13.652 -22.180 1.00 64.31 H new ATOM 0 HB3 ASP A 31 2.699 14.682 -21.180 1.00 64.31 H new ATOM 450 N ASP A 32 1.337 14.769 -24.842 1.00 70.21 N ATOM 451 CA ASP A 32 1.335 15.934 -25.718 1.00 10.20 C ATOM 452 C ASP A 32 0.067 16.747 -25.533 1.00 65.12 C ATOM 453 O ASP A 32 -1.050 16.226 -25.644 1.00 52.41 O ATOM 454 CB ASP A 32 1.456 15.527 -27.184 1.00 11.10 C ATOM 455 CG ASP A 32 2.651 16.157 -27.853 1.00 74.11 C ATOM 456 OD1 ASP A 32 2.982 17.313 -27.537 1.00 23.13 O ATOM 457 OD2 ASP A 32 3.299 15.454 -28.647 1.00 71.42 O ATOM 0 H ASP A 32 1.160 13.879 -25.308 1.00 70.21 H new ATOM 0 HA ASP A 32 2.199 16.541 -25.446 1.00 10.20 H new ATOM 0 HB2 ASP A 32 1.533 14.442 -27.253 1.00 11.10 H new ATOM 0 HB3 ASP A 32 0.550 15.816 -27.716 1.00 11.10 H new ATOM 462 N ALA A 33 0.216 18.013 -25.186 1.00 54.12 N ATOM 463 CA ALA A 33 -0.940 18.860 -24.944 1.00 25.50 C ATOM 464 C ALA A 33 -1.558 19.241 -26.293 1.00 44.31 C ATOM 465 O ALA A 33 -0.893 19.762 -27.161 1.00 10.43 O ATOM 466 CB ALA A 33 -0.519 20.101 -24.155 1.00 4.32 C ATOM 0 H ALA A 33 1.117 18.475 -25.066 1.00 54.12 H new ATOM 0 HA ALA A 33 -1.684 18.328 -24.351 1.00 25.50 H new ATOM 0 HB1 ALA A 33 -1.390 20.732 -23.977 1.00 4.32 H new ATOM 0 HB2 ALA A 33 -0.090 19.797 -23.200 1.00 4.32 H new ATOM 0 HB3 ALA A 33 0.223 20.660 -24.725 1.00 4.32 H new ATOM 472 N PHE A 34 -2.855 19.002 -26.431 1.00 11.12 N ATOM 473 CA PHE A 34 -3.574 19.272 -27.671 1.00 40.01 C ATOM 474 C PHE A 34 -3.409 20.745 -28.093 1.00 5.23 C ATOM 475 O PHE A 34 -3.302 21.044 -29.262 1.00 21.31 O ATOM 476 CB PHE A 34 -5.058 18.950 -27.471 1.00 74.01 C ATOM 477 CG PHE A 34 -5.898 19.038 -28.714 1.00 23.33 C ATOM 478 CD1 PHE A 34 -6.007 17.959 -29.591 1.00 43.35 C ATOM 479 CD2 PHE A 34 -6.610 20.229 -28.995 1.00 45.21 C ATOM 480 CE1 PHE A 34 -6.808 18.049 -30.750 1.00 20.03 C ATOM 481 CE2 PHE A 34 -7.426 20.323 -30.155 1.00 12.43 C ATOM 482 CZ PHE A 34 -7.509 19.217 -31.033 1.00 35.53 C ATOM 0 H PHE A 34 -3.439 18.616 -25.689 1.00 11.12 H new ATOM 0 HA PHE A 34 -3.161 18.645 -28.462 1.00 40.01 H new ATOM 0 HB2 PHE A 34 -5.144 17.943 -27.062 1.00 74.01 H new ATOM 0 HB3 PHE A 34 -5.466 19.633 -26.726 1.00 74.01 H new ATOM 0 HD1 PHE A 34 -5.473 17.044 -29.381 1.00 43.35 H new ATOM 0 HD2 PHE A 34 -6.533 21.071 -28.324 1.00 45.21 H new ATOM 0 HE1 PHE A 34 -6.877 17.206 -31.421 1.00 20.03 H new ATOM 0 HE2 PHE A 34 -7.976 21.229 -30.364 1.00 12.43 H new ATOM 0 HZ PHE A 34 -8.117 19.279 -31.924 1.00 35.53 H new ATOM 492 N HIS A 35 -3.362 21.675 -27.133 1.00 32.21 N ATOM 493 CA HIS A 35 -3.193 23.092 -27.460 1.00 3.31 C ATOM 494 C HIS A 35 -1.746 23.503 -27.764 1.00 74.21 C ATOM 495 O HIS A 35 -1.538 24.511 -28.418 1.00 11.45 O ATOM 496 CB HIS A 35 -3.749 23.958 -26.336 1.00 42.21 C ATOM 497 CG HIS A 35 -3.248 23.585 -24.977 1.00 12.34 C ATOM 498 ND1 HIS A 35 -4.009 22.964 -24.021 1.00 41.33 N ATOM 499 CD2 HIS A 35 -2.032 23.785 -24.386 1.00 71.33 C ATOM 500 CE1 HIS A 35 -3.252 22.793 -22.934 1.00 24.03 C ATOM 501 NE2 HIS A 35 -2.039 23.276 -23.100 1.00 74.41 N ATOM 0 H HIS A 35 -3.438 21.474 -26.136 1.00 32.21 H new ATOM 0 HA HIS A 35 -3.752 23.251 -28.382 1.00 3.31 H new ATOM 0 HB2 HIS A 35 -3.494 24.999 -26.533 1.00 42.21 H new ATOM 0 HB3 HIS A 35 -4.837 23.890 -26.343 1.00 42.21 H new ATOM 0 HD2 HIS A 35 -1.189 24.270 -24.855 1.00 71.33 H new ATOM 0 HE1 HIS A 35 -3.594 22.316 -22.028 1.00 24.03 H new ATOM 0 HE2 HIS A 35 -1.272 23.275 -22.428 1.00 74.41 H new ATOM 509 N ASP A 36 -0.771 22.726 -27.312 1.00 43.13 N ATOM 510 CA ASP A 36 0.646 23.039 -27.573 1.00 43.42 C ATOM 511 C ASP A 36 0.944 22.716 -29.033 1.00 23.14 C ATOM 512 O ASP A 36 1.680 23.409 -29.726 1.00 1.32 O ATOM 513 CB ASP A 36 1.553 22.213 -26.664 1.00 53.05 C ATOM 514 CG ASP A 36 2.973 22.700 -26.659 1.00 71.43 C ATOM 515 OD1 ASP A 36 3.175 23.924 -26.553 1.00 25.30 O ATOM 516 OD2 ASP A 36 3.888 21.857 -26.651 1.00 5.51 O ATOM 0 H ASP A 36 -0.923 21.878 -26.766 1.00 43.13 H new ATOM 0 HA ASP A 36 0.833 24.094 -27.371 1.00 43.42 H new ATOM 0 HB2 ASP A 36 1.161 22.239 -25.647 1.00 53.05 H new ATOM 0 HB3 ASP A 36 1.532 21.172 -26.987 1.00 53.05 H new ATOM 521 N LEU A 37 0.267 21.680 -29.512 1.00 53.40 N ATOM 522 CA LEU A 37 0.350 21.230 -30.895 1.00 51.51 C ATOM 523 C LEU A 37 -0.516 22.079 -31.853 1.00 1.11 C ATOM 524 O LEU A 37 -0.919 21.614 -32.909 1.00 71.21 O ATOM 525 CB LEU A 37 -0.105 19.766 -30.973 1.00 33.14 C ATOM 526 CG LEU A 37 0.641 18.690 -30.155 1.00 42.21 C ATOM 527 CD1 LEU A 37 -0.097 17.390 -30.168 1.00 0.00 C ATOM 528 CD2 LEU A 37 2.057 18.481 -30.728 1.00 43.03 C ATOM 0 H LEU A 37 -0.366 21.120 -28.941 1.00 53.40 H new ATOM 0 HA LEU A 37 1.387 21.338 -31.211 1.00 51.51 H new ATOM 0 HB2 LEU A 37 -1.153 19.734 -30.675 1.00 33.14 H new ATOM 0 HB3 LEU A 37 -0.063 19.467 -32.020 1.00 33.14 H new ATOM 0 HG LEU A 37 0.707 19.039 -29.124 1.00 42.21 H new ATOM 0 HD11 LEU A 37 0.454 16.653 -29.583 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.088 17.530 -29.735 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.196 17.038 -31.195 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.577 17.720 -30.145 1.00 43.03 H new ATOM 0 HD22 LEU A 37 1.985 18.157 -31.766 1.00 43.03 H new ATOM 0 HD23 LEU A 37 2.612 19.418 -30.678 1.00 43.03 H new ATOM 540 N GLY A 38 -0.831 23.299 -31.454 1.00 52.53 N ATOM 541 CA GLY A 38 -1.638 24.187 -32.293 1.00 73.20 C ATOM 542 C GLY A 38 -3.133 23.918 -32.246 1.00 24.34 C ATOM 543 O GLY A 38 -3.860 24.186 -33.200 1.00 22.23 O ATOM 0 H GLY A 38 -0.546 23.701 -30.561 1.00 52.53 H new ATOM 0 HA2 GLY A 38 -1.458 25.217 -31.986 1.00 73.20 H new ATOM 0 HA3 GLY A 38 -1.299 24.098 -33.325 1.00 73.20 H new ATOM 547 N GLY A 39 -3.602 23.380 -31.129 1.00 42.40 N ATOM 548 CA GLY A 39 -5.014 23.047 -30.977 1.00 72.41 C ATOM 549 C GLY A 39 -5.970 24.232 -30.938 1.00 10.34 C ATOM 550 O GLY A 39 -5.619 25.352 -30.569 1.00 25.31 O ATOM 0 H GLY A 39 -3.027 23.164 -30.314 1.00 42.40 H new ATOM 0 HA2 GLY A 39 -5.306 22.395 -31.800 1.00 72.41 H new ATOM 0 HA3 GLY A 39 -5.137 22.474 -30.058 1.00 72.41 H new ATOM 554 N SER A 40 -7.214 23.959 -31.284 1.00 64.13 N ATOM 555 CA SER A 40 -8.252 24.972 -31.300 1.00 13.13 C ATOM 556 C SER A 40 -9.545 24.328 -30.826 1.00 25.30 C ATOM 557 O SER A 40 -9.718 23.107 -30.945 1.00 14.45 O ATOM 558 CB SER A 40 -8.408 25.506 -32.728 1.00 4.32 C ATOM 559 OG SER A 40 -9.505 26.426 -32.820 1.00 64.14 O ATOM 0 H SER A 40 -7.533 23.031 -31.561 1.00 64.13 H new ATOM 0 HA SER A 40 -7.997 25.805 -30.644 1.00 13.13 H new ATOM 0 HB2 SER A 40 -7.487 26.001 -33.037 1.00 4.32 H new ATOM 0 HB3 SER A 40 -8.568 24.675 -33.415 1.00 4.32 H new ATOM 0 HG SER A 40 -9.581 26.753 -33.741 1.00 64.14 H new ATOM 565 N SER A 41 -10.480 25.136 -30.347 1.00 62.50 N ATOM 566 CA SER A 41 -11.792 24.645 -29.939 1.00 12.11 C ATOM 567 C SER A 41 -12.503 24.081 -31.166 1.00 75.11 C ATOM 568 O SER A 41 -13.259 23.114 -31.078 1.00 42.14 O ATOM 569 CB SER A 41 -12.601 25.803 -29.367 1.00 11.53 C ATOM 570 OG SER A 41 -12.475 26.949 -30.206 1.00 22.20 O ATOM 0 H SER A 41 -10.354 26.141 -30.230 1.00 62.50 H new ATOM 0 HA SER A 41 -11.688 23.868 -29.182 1.00 12.11 H new ATOM 0 HB2 SER A 41 -13.650 25.518 -29.283 1.00 11.53 H new ATOM 0 HB3 SER A 41 -12.253 26.039 -28.361 1.00 11.53 H new ATOM 0 HG SER A 41 -12.999 27.688 -29.832 1.00 22.20 H new ATOM 576 N ALA A 42 -12.216 24.684 -32.310 1.00 63.32 N ATOM 577 CA ALA A 42 -12.785 24.248 -33.590 1.00 52.33 C ATOM 578 C ALA A 42 -12.293 22.847 -33.954 1.00 63.43 C ATOM 579 O ALA A 42 -12.985 22.094 -34.635 1.00 14.00 O ATOM 580 CB ALA A 42 -12.385 25.250 -34.703 1.00 52.33 C ATOM 0 H ALA A 42 -11.588 25.484 -32.384 1.00 63.32 H new ATOM 0 HA ALA A 42 -13.871 24.217 -33.496 1.00 52.33 H new ATOM 0 HB1 ALA A 42 -12.808 24.926 -35.654 1.00 52.33 H new ATOM 0 HB2 ALA A 42 -12.767 26.240 -34.455 1.00 52.33 H new ATOM 0 HB3 ALA A 42 -11.299 25.289 -34.784 1.00 52.33 H new ATOM 586 N LEU A 43 -11.088 22.498 -33.507 1.00 51.41 N ATOM 587 CA LEU A 43 -10.510 21.176 -33.778 1.00 31.34 C ATOM 588 C LEU A 43 -10.909 20.178 -32.706 1.00 0.43 C ATOM 589 O LEU A 43 -11.053 18.994 -32.990 1.00 70.22 O ATOM 590 CB LEU A 43 -8.981 21.254 -33.845 1.00 1.23 C ATOM 591 CG LEU A 43 -8.384 22.077 -34.994 1.00 71.15 C ATOM 592 CD1 LEU A 43 -6.876 22.174 -34.800 1.00 40.00 C ATOM 593 CD2 LEU A 43 -8.706 21.428 -36.353 1.00 33.53 C ATOM 0 H LEU A 43 -10.489 23.111 -32.954 1.00 51.41 H new ATOM 0 HA LEU A 43 -10.898 20.842 -34.740 1.00 31.34 H new ATOM 0 HB2 LEU A 43 -8.620 21.670 -32.905 1.00 1.23 H new ATOM 0 HB3 LEU A 43 -8.591 20.239 -33.915 1.00 1.23 H new ATOM 0 HG LEU A 43 -8.821 23.075 -34.987 1.00 71.15 H new ATOM 0 HD11 LEU A 43 -6.441 22.757 -35.612 1.00 40.00 H new ATOM 0 HD12 LEU A 43 -6.662 22.661 -33.848 1.00 40.00 H new ATOM 0 HD13 LEU A 43 -6.444 21.173 -34.801 1.00 40.00 H new ATOM 0 HD21 LEU A 43 -8.274 22.027 -37.154 1.00 33.53 H new ATOM 0 HD22 LEU A 43 -8.286 20.423 -36.385 1.00 33.53 H new ATOM 0 HD23 LEU A 43 -9.787 21.374 -36.483 1.00 33.53 H new ATOM 605 N ALA A 44 -11.142 20.653 -31.491 1.00 2.34 N ATOM 606 CA ALA A 44 -11.541 19.790 -30.387 1.00 63.41 C ATOM 607 C ALA A 44 -12.833 19.043 -30.733 1.00 4.11 C ATOM 608 O ALA A 44 -12.948 17.842 -30.489 1.00 63.42 O ATOM 609 CB ALA A 44 -11.715 20.620 -29.114 1.00 42.33 C ATOM 0 H ALA A 44 -11.061 21.639 -31.243 1.00 2.34 H new ATOM 0 HA ALA A 44 -10.760 19.050 -30.214 1.00 63.41 H new ATOM 0 HB1 ALA A 44 -12.013 19.968 -28.293 1.00 42.33 H new ATOM 0 HB2 ALA A 44 -10.772 21.108 -28.866 1.00 42.33 H new ATOM 0 HB3 ALA A 44 -12.484 21.376 -29.275 1.00 42.33 H new ATOM 615 N MET A 45 -13.785 19.746 -31.323 1.00 34.03 N ATOM 616 CA MET A 45 -15.060 19.115 -31.687 1.00 33.15 C ATOM 617 C MET A 45 -14.892 18.118 -32.840 1.00 33.51 C ATOM 618 O MET A 45 -15.636 17.142 -32.938 1.00 24.01 O ATOM 619 CB MET A 45 -16.092 20.172 -32.043 1.00 12.35 C ATOM 620 CG MET A 45 -15.873 20.904 -33.371 1.00 63.51 C ATOM 621 SD MET A 45 -17.107 22.243 -33.629 1.00 50.02 S ATOM 622 CE MET A 45 -18.616 21.275 -33.916 1.00 71.03 C ATOM 0 H MET A 45 -13.711 20.735 -31.560 1.00 34.03 H new ATOM 0 HA MET A 45 -15.411 18.557 -30.819 1.00 33.15 H new ATOM 0 HB2 MET A 45 -17.074 19.699 -32.069 1.00 12.35 H new ATOM 0 HB3 MET A 45 -16.116 20.912 -31.243 1.00 12.35 H new ATOM 0 HG2 MET A 45 -14.869 21.327 -33.391 1.00 63.51 H new ATOM 0 HG3 MET A 45 -15.934 20.191 -34.193 1.00 63.51 H new ATOM 0 HE1 MET A 45 -19.406 21.932 -34.279 1.00 71.03 H new ATOM 0 HE2 MET A 45 -18.417 20.502 -34.659 1.00 71.03 H new ATOM 0 HE3 MET A 45 -18.932 20.809 -32.983 1.00 71.03 H new ATOM 632 N ARG A 46 -13.892 18.331 -33.682 1.00 10.41 N ATOM 633 CA ARG A 46 -13.601 17.394 -34.780 1.00 24.33 C ATOM 634 C ARG A 46 -12.945 16.153 -34.229 1.00 31.43 C ATOM 635 O ARG A 46 -13.121 15.063 -34.745 1.00 1.15 O ATOM 636 CB ARG A 46 -12.713 18.015 -35.822 1.00 45.14 C ATOM 637 CG ARG A 46 -13.360 19.163 -36.530 1.00 41.15 C ATOM 638 CD ARG A 46 -12.362 19.750 -37.441 1.00 5.34 C ATOM 639 NE ARG A 46 -12.689 21.140 -37.785 1.00 20.25 N ATOM 640 CZ ARG A 46 -12.003 21.904 -38.631 1.00 75.34 C ATOM 641 NH1 ARG A 46 -10.942 21.471 -39.265 1.00 34.20 N ATOM 642 NH2 ARG A 46 -12.399 23.133 -38.824 1.00 5.22 N ATOM 0 H ARG A 46 -13.267 19.136 -33.635 1.00 10.41 H new ATOM 0 HA ARG A 46 -14.546 17.135 -35.257 1.00 24.33 H new ATOM 0 HB2 ARG A 46 -11.793 18.358 -35.350 1.00 45.14 H new ATOM 0 HB3 ARG A 46 -12.433 17.256 -36.552 1.00 45.14 H new ATOM 0 HG2 ARG A 46 -14.234 18.825 -37.087 1.00 41.15 H new ATOM 0 HG3 ARG A 46 -13.707 19.907 -35.813 1.00 41.15 H new ATOM 0 HD2 ARG A 46 -11.378 19.713 -36.974 1.00 5.34 H new ATOM 0 HD3 ARG A 46 -12.306 19.154 -38.352 1.00 5.34 H new ATOM 0 HE ARG A 46 -13.508 21.553 -37.339 1.00 20.25 H new ATOM 0 HH11 ARG A 46 -10.614 20.516 -39.118 1.00 34.20 H new ATOM 0 HH12 ARG A 46 -10.443 22.088 -39.906 1.00 34.20 H new ATOM 0 HH21 ARG A 46 -13.218 23.488 -38.331 1.00 5.22 H new ATOM 0 HH22 ARG A 46 -11.889 23.738 -39.468 1.00 5.22 H new ATOM 656 N LEU A 47 -12.195 16.334 -33.158 1.00 61.10 N ATOM 657 CA LEU A 47 -11.501 15.211 -32.519 1.00 34.00 C ATOM 658 C LEU A 47 -12.552 14.292 -31.901 1.00 34.23 C ATOM 659 O LEU A 47 -12.537 13.096 -32.098 1.00 51.11 O ATOM 660 CB LEU A 47 -10.533 15.699 -31.449 1.00 61.15 C ATOM 661 CG LEU A 47 -9.747 14.627 -30.698 1.00 0.10 C ATOM 662 CD1 LEU A 47 -8.721 13.921 -31.607 1.00 33.33 C ATOM 663 CD2 LEU A 47 -9.036 15.271 -29.489 1.00 31.11 C ATOM 0 H LEU A 47 -12.046 17.237 -32.708 1.00 61.10 H new ATOM 0 HA LEU A 47 -10.916 14.673 -33.265 1.00 34.00 H new ATOM 0 HB2 LEU A 47 -9.821 16.378 -31.918 1.00 61.15 H new ATOM 0 HB3 LEU A 47 -11.096 16.282 -30.720 1.00 61.15 H new ATOM 0 HG LEU A 47 -10.449 13.867 -30.356 1.00 0.10 H new ATOM 0 HD11 LEU A 47 -8.184 13.166 -31.032 1.00 33.33 H new ATOM 0 HD12 LEU A 47 -9.239 13.443 -32.438 1.00 33.33 H new ATOM 0 HD13 LEU A 47 -8.013 14.654 -31.994 1.00 33.33 H new ATOM 0 HD21 LEU A 47 -8.473 14.509 -28.950 1.00 31.11 H new ATOM 0 HD22 LEU A 47 -8.354 16.046 -29.838 1.00 31.11 H new ATOM 0 HD23 LEU A 47 -9.778 15.713 -28.824 1.00 31.11 H new ATOM 675 N ILE A 48 -13.503 14.883 -31.190 1.00 22.01 N ATOM 676 CA ILE A 48 -14.595 14.134 -30.549 1.00 55.31 C ATOM 677 C ILE A 48 -15.422 13.400 -31.602 1.00 11.23 C ATOM 678 O ILE A 48 -15.820 12.254 -31.389 1.00 30.53 O ATOM 679 CB ILE A 48 -15.491 15.093 -29.705 1.00 42.43 C ATOM 680 CG1 ILE A 48 -14.668 15.639 -28.522 1.00 64.12 C ATOM 681 CG2 ILE A 48 -16.766 14.365 -29.205 1.00 13.10 C ATOM 682 CD1 ILE A 48 -15.182 16.945 -27.953 1.00 63.31 C ATOM 0 H ILE A 48 -13.547 15.891 -31.037 1.00 22.01 H new ATOM 0 HA ILE A 48 -14.164 13.393 -29.875 1.00 55.31 H new ATOM 0 HB ILE A 48 -15.817 15.924 -30.330 1.00 42.43 H new ATOM 0 HG12 ILE A 48 -14.654 14.891 -27.729 1.00 64.12 H new ATOM 0 HG13 ILE A 48 -13.637 15.779 -28.846 1.00 64.12 H new ATOM 0 HG21 ILE A 48 -17.373 15.055 -28.619 1.00 13.10 H new ATOM 0 HG22 ILE A 48 -17.342 14.011 -30.060 1.00 13.10 H new ATOM 0 HG23 ILE A 48 -16.480 13.516 -28.584 1.00 13.10 H new ATOM 0 HD11 ILE A 48 -14.545 17.257 -27.125 1.00 63.31 H new ATOM 0 HD12 ILE A 48 -15.169 17.710 -28.729 1.00 63.31 H new ATOM 0 HD13 ILE A 48 -16.202 16.809 -27.594 1.00 63.31 H new ATOM 694 N ALA A 49 -15.628 14.031 -32.746 1.00 11.02 N ATOM 695 CA ALA A 49 -16.355 13.388 -33.836 1.00 42.24 C ATOM 696 C ALA A 49 -15.596 12.143 -34.304 1.00 45.10 C ATOM 697 O ALA A 49 -16.181 11.081 -34.508 1.00 12.35 O ATOM 698 CB ALA A 49 -16.546 14.384 -35.002 1.00 31.24 C ATOM 0 H ALA A 49 -15.307 14.978 -32.946 1.00 11.02 H new ATOM 0 HA ALA A 49 -17.339 13.080 -33.482 1.00 42.24 H new ATOM 0 HB1 ALA A 49 -17.089 13.897 -35.812 1.00 31.24 H new ATOM 0 HB2 ALA A 49 -17.112 15.248 -34.654 1.00 31.24 H new ATOM 0 HB3 ALA A 49 -15.571 14.711 -35.364 1.00 31.24 H new ATOM 704 N ARG A 50 -14.276 12.264 -34.412 1.00 52.23 N ATOM 705 CA ARG A 50 -13.441 11.112 -34.802 1.00 61.45 C ATOM 706 C ARG A 50 -13.382 10.016 -33.744 1.00 40.33 C ATOM 707 O ARG A 50 -13.383 8.834 -34.088 1.00 54.44 O ATOM 708 CB ARG A 50 -12.037 11.626 -35.155 1.00 31.52 C ATOM 709 CG ARG A 50 -11.285 10.705 -36.081 1.00 41.31 C ATOM 710 CD ARG A 50 -11.690 10.919 -37.495 1.00 3.33 C ATOM 711 NE ARG A 50 -10.971 10.030 -38.404 1.00 42.41 N ATOM 712 CZ ARG A 50 -10.941 10.162 -39.729 1.00 30.22 C ATOM 713 NH1 ARG A 50 -11.578 11.132 -40.357 1.00 4.04 N ATOM 714 NH2 ARG A 50 -10.266 9.298 -40.425 1.00 21.54 N ATOM 0 H ARG A 50 -13.761 13.127 -34.240 1.00 52.23 H new ATOM 0 HA ARG A 50 -13.901 10.640 -35.670 1.00 61.45 H new ATOM 0 HB2 ARG A 50 -12.123 12.608 -35.620 1.00 31.52 H new ATOM 0 HB3 ARG A 50 -11.463 11.757 -34.237 1.00 31.52 H new ATOM 0 HG2 ARG A 50 -10.213 10.875 -35.977 1.00 41.31 H new ATOM 0 HG3 ARG A 50 -11.472 9.669 -35.799 1.00 41.31 H new ATOM 0 HD2 ARG A 50 -12.762 10.752 -37.595 1.00 3.33 H new ATOM 0 HD3 ARG A 50 -11.501 11.955 -37.775 1.00 3.33 H new ATOM 0 HE ARG A 50 -10.454 9.252 -37.994 1.00 42.41 H new ATOM 0 HH11 ARG A 50 -12.118 11.815 -39.826 1.00 4.04 H new ATOM 0 HH12 ARG A 50 -11.530 11.199 -41.374 1.00 4.04 H new ATOM 0 HH21 ARG A 50 -9.773 8.538 -39.956 1.00 21.54 H new ATOM 0 HH22 ARG A 50 -10.229 9.379 -41.441 1.00 21.54 H new ATOM 728 N ILE A 51 -13.441 10.404 -32.464 1.00 74.23 N ATOM 729 CA ILE A 51 -13.476 9.444 -31.383 1.00 21.11 C ATOM 730 C ILE A 51 -14.696 8.502 -31.497 1.00 64.53 C ATOM 731 O ILE A 51 -14.654 7.319 -31.175 1.00 52.24 O ATOM 732 CB ILE A 51 -13.484 10.125 -29.968 1.00 55.52 C ATOM 733 CG1 ILE A 51 -12.123 10.824 -29.696 1.00 1.10 C ATOM 734 CG2 ILE A 51 -13.756 9.084 -28.835 1.00 11.23 C ATOM 735 CD1 ILE A 51 -12.089 11.729 -28.412 1.00 22.43 C ATOM 0 H ILE A 51 -13.465 11.379 -32.164 1.00 74.23 H new ATOM 0 HA ILE A 51 -12.559 8.863 -31.478 1.00 21.11 H new ATOM 0 HB ILE A 51 -14.286 10.863 -29.967 1.00 55.52 H new ATOM 0 HG12 ILE A 51 -11.351 10.060 -29.605 1.00 1.10 H new ATOM 0 HG13 ILE A 51 -11.866 11.436 -30.561 1.00 1.10 H new ATOM 0 HG21 ILE A 51 -13.755 9.589 -27.869 1.00 11.23 H new ATOM 0 HG22 ILE A 51 -14.726 8.614 -28.998 1.00 11.23 H new ATOM 0 HG23 ILE A 51 -12.977 8.322 -28.847 1.00 11.23 H new ATOM 0 HD11 ILE A 51 -11.099 12.173 -28.306 1.00 22.43 H new ATOM 0 HD12 ILE A 51 -12.834 12.520 -28.504 1.00 22.43 H new ATOM 0 HD13 ILE A 51 -12.310 11.123 -27.534 1.00 22.43 H new ATOM 747 N ARG A 52 -15.832 9.041 -31.980 1.00 14.35 N ATOM 748 CA ARG A 52 -17.020 8.209 -32.131 1.00 53.15 C ATOM 749 C ARG A 52 -16.825 7.050 -33.081 1.00 73.40 C ATOM 750 O ARG A 52 -17.487 6.024 -32.926 1.00 42.30 O ATOM 751 CB ARG A 52 -18.197 9.011 -32.653 1.00 4.10 C ATOM 752 CG ARG A 52 -18.700 10.115 -31.728 1.00 30.21 C ATOM 753 CD ARG A 52 -20.013 10.595 -32.277 1.00 24.34 C ATOM 754 NE ARG A 52 -20.612 11.655 -31.452 1.00 55.14 N ATOM 755 CZ ARG A 52 -21.792 12.224 -31.676 1.00 24.54 C ATOM 756 NH1 ARG A 52 -22.554 11.872 -32.679 1.00 73.21 N ATOM 757 NH2 ARG A 52 -22.214 13.149 -30.866 1.00 22.30 N ATOM 0 H ARG A 52 -15.943 10.015 -32.261 1.00 14.35 H new ATOM 0 HA ARG A 52 -17.213 7.826 -31.129 1.00 53.15 H new ATOM 0 HB2 ARG A 52 -17.915 9.459 -33.606 1.00 4.10 H new ATOM 0 HB3 ARG A 52 -19.021 8.326 -32.854 1.00 4.10 H new ATOM 0 HG2 ARG A 52 -18.823 9.739 -30.712 1.00 30.21 H new ATOM 0 HG3 ARG A 52 -17.981 10.933 -31.680 1.00 30.21 H new ATOM 0 HD2 ARG A 52 -19.865 10.967 -33.291 1.00 24.34 H new ATOM 0 HD3 ARG A 52 -20.705 9.755 -32.343 1.00 24.34 H new ATOM 0 HE ARG A 52 -20.080 11.979 -30.644 1.00 55.14 H new ATOM 0 HH11 ARG A 52 -22.248 11.139 -33.319 1.00 73.21 H new ATOM 0 HH12 ARG A 52 -23.454 12.330 -32.821 1.00 73.21 H new ATOM 0 HH21 ARG A 52 -21.641 13.430 -30.070 1.00 22.30 H new ATOM 0 HH22 ARG A 52 -23.118 13.594 -31.026 1.00 22.30 H new ATOM 771 N GLU A 53 -15.939 7.205 -34.062 1.00 34.04 N ATOM 772 CA GLU A 53 -15.754 6.168 -35.089 1.00 1.41 C ATOM 773 C GLU A 53 -14.833 5.090 -34.476 1.00 24.34 C ATOM 774 O GLU A 53 -15.038 3.876 -34.636 1.00 41.44 O ATOM 775 CB GLU A 53 -15.049 6.741 -36.324 1.00 1.31 C ATOM 776 CG GLU A 53 -15.731 7.990 -36.944 1.00 14.20 C ATOM 777 CD GLU A 53 -17.155 7.734 -37.366 1.00 74.41 C ATOM 778 OE1 GLU A 53 -17.381 6.794 -38.165 1.00 2.32 O ATOM 779 OE2 GLU A 53 -18.057 8.478 -36.935 1.00 34.31 O ATOM 0 H GLU A 53 -15.342 8.025 -34.172 1.00 34.04 H new ATOM 0 HA GLU A 53 -16.723 5.771 -35.391 1.00 1.41 H new ATOM 0 HB2 GLU A 53 -14.026 7.001 -36.053 1.00 1.31 H new ATOM 0 HB3 GLU A 53 -14.989 5.962 -37.084 1.00 1.31 H new ATOM 0 HG2 GLU A 53 -15.713 8.804 -36.220 1.00 14.20 H new ATOM 0 HG3 GLU A 53 -15.155 8.320 -37.809 1.00 14.20 H new ATOM 786 N GLU A 54 -13.824 5.560 -33.738 1.00 10.52 N ATOM 787 CA GLU A 54 -12.736 4.708 -33.248 1.00 41.41 C ATOM 788 C GLU A 54 -13.109 3.963 -31.973 1.00 43.20 C ATOM 789 O GLU A 54 -12.939 2.750 -31.871 1.00 32.30 O ATOM 790 CB GLU A 54 -11.533 5.575 -32.939 1.00 72.21 C ATOM 791 CG GLU A 54 -10.794 6.071 -34.176 1.00 61.00 C ATOM 792 CD GLU A 54 -10.262 4.939 -35.043 1.00 35.11 C ATOM 793 OE1 GLU A 54 -9.632 4.002 -34.491 1.00 43.42 O ATOM 794 OE2 GLU A 54 -10.421 5.017 -36.275 1.00 43.24 O ATOM 0 H GLU A 54 -13.738 6.539 -33.464 1.00 10.52 H new ATOM 0 HA GLU A 54 -12.524 3.976 -34.027 1.00 41.41 H new ATOM 0 HB2 GLU A 54 -11.858 6.435 -32.353 1.00 72.21 H new ATOM 0 HB3 GLU A 54 -10.840 5.009 -32.317 1.00 72.21 H new ATOM 0 HG2 GLU A 54 -11.465 6.691 -34.770 1.00 61.00 H new ATOM 0 HG3 GLU A 54 -9.964 6.706 -33.867 1.00 61.00 H new ATOM 801 N LEU A 55 -13.578 4.713 -30.983 1.00 15.12 N ATOM 802 CA LEU A 55 -13.877 4.150 -29.681 1.00 44.54 C ATOM 803 C LEU A 55 -15.366 3.816 -29.569 1.00 1.02 C ATOM 804 O LEU A 55 -15.807 3.176 -28.600 1.00 71.20 O ATOM 805 CB LEU A 55 -13.442 5.085 -28.572 1.00 45.22 C ATOM 806 CG LEU A 55 -11.960 5.561 -28.573 1.00 62.41 C ATOM 807 CD1 LEU A 55 -11.706 6.349 -27.288 1.00 33.41 C ATOM 808 CD2 LEU A 55 -10.920 4.400 -28.657 1.00 43.22 C ATOM 0 H LEU A 55 -13.758 5.714 -31.062 1.00 15.12 H new ATOM 0 HA LEU A 55 -13.313 3.224 -29.572 1.00 44.54 H new ATOM 0 HB2 LEU A 55 -14.079 5.969 -28.608 1.00 45.22 H new ATOM 0 HB3 LEU A 55 -13.636 4.591 -27.620 1.00 45.22 H new ATOM 0 HG LEU A 55 -11.824 6.168 -29.468 1.00 62.41 H new ATOM 0 HD11 LEU A 55 -10.671 6.692 -27.270 1.00 33.41 H new ATOM 0 HD12 LEU A 55 -12.374 7.210 -27.251 1.00 33.41 H new ATOM 0 HD13 LEU A 55 -11.891 5.708 -26.426 1.00 33.41 H new ATOM 0 HD21 LEU A 55 -9.912 4.814 -28.653 1.00 43.22 H new ATOM 0 HD22 LEU A 55 -11.044 3.738 -27.800 1.00 43.22 H new ATOM 0 HD23 LEU A 55 -11.077 3.837 -29.577 1.00 43.22 H new ATOM 820 N GLY A 56 -16.140 4.266 -30.564 1.00 23.03 N ATOM 821 CA GLY A 56 -17.566 3.966 -30.577 1.00 34.10 C ATOM 822 C GLY A 56 -18.409 4.725 -29.580 1.00 13.33 C ATOM 823 O GLY A 56 -19.516 4.292 -29.252 1.00 10.13 O ATOM 0 H GLY A 56 -15.808 4.825 -31.350 1.00 23.03 H new ATOM 0 HA2 GLY A 56 -17.951 4.167 -31.577 1.00 34.10 H new ATOM 0 HA3 GLY A 56 -17.695 2.899 -30.395 1.00 34.10 H new ATOM 827 N VAL A 57 -17.888 5.838 -29.068 1.00 4.53 N ATOM 828 CA VAL A 57 -18.569 6.598 -28.017 1.00 71.42 C ATOM 829 C VAL A 57 -18.465 8.101 -28.252 1.00 64.43 C ATOM 830 O VAL A 57 -17.495 8.593 -28.819 1.00 51.33 O ATOM 831 CB VAL A 57 -17.983 6.284 -26.589 1.00 14.14 C ATOM 832 CG1 VAL A 57 -18.257 4.822 -26.197 1.00 21.34 C ATOM 833 CG2 VAL A 57 -16.480 6.567 -26.498 1.00 4.34 C ATOM 0 H VAL A 57 -16.996 6.235 -29.363 1.00 4.53 H new ATOM 0 HA VAL A 57 -19.614 6.289 -28.057 1.00 71.42 H new ATOM 0 HB VAL A 57 -18.490 6.951 -25.892 1.00 14.14 H new ATOM 0 HG11 VAL A 57 -17.844 4.627 -25.207 1.00 21.34 H new ATOM 0 HG12 VAL A 57 -19.332 4.645 -26.183 1.00 21.34 H new ATOM 0 HG13 VAL A 57 -17.789 4.157 -26.923 1.00 21.34 H new ATOM 0 HG21 VAL A 57 -16.126 6.334 -25.494 1.00 4.34 H new ATOM 0 HG22 VAL A 57 -15.949 5.949 -27.222 1.00 4.34 H new ATOM 0 HG23 VAL A 57 -16.294 7.619 -26.713 1.00 4.34 H new ATOM 843 N ASP A 58 -19.453 8.833 -27.761 1.00 61.31 N ATOM 844 CA ASP A 58 -19.438 10.297 -27.834 1.00 74.21 C ATOM 845 C ASP A 58 -18.634 10.816 -26.659 1.00 54.44 C ATOM 846 O ASP A 58 -19.127 10.887 -25.534 1.00 74.21 O ATOM 847 CB ASP A 58 -20.864 10.856 -27.788 1.00 15.52 C ATOM 848 CG ASP A 58 -20.908 12.329 -28.105 1.00 42.32 C ATOM 849 OD1 ASP A 58 -20.026 12.790 -28.867 1.00 0.11 O ATOM 850 OD2 ASP A 58 -21.883 13.010 -27.720 1.00 20.13 O ATOM 0 H ASP A 58 -20.278 8.443 -27.306 1.00 61.31 H new ATOM 0 HA ASP A 58 -18.987 10.617 -28.773 1.00 74.21 H new ATOM 0 HB2 ASP A 58 -21.488 10.314 -28.499 1.00 15.52 H new ATOM 0 HB3 ASP A 58 -21.287 10.686 -26.798 1.00 15.52 H new ATOM 855 N LEU A 59 -17.375 11.137 -26.905 1.00 64.12 N ATOM 856 CA LEU A 59 -16.487 11.537 -25.816 1.00 54.34 C ATOM 857 C LEU A 59 -16.860 12.924 -25.278 1.00 74.31 C ATOM 858 O LEU A 59 -16.877 13.908 -26.008 1.00 74.25 O ATOM 859 CB LEU A 59 -15.033 11.497 -26.278 1.00 34.34 C ATOM 860 CG LEU A 59 -13.881 11.374 -25.239 1.00 3.33 C ATOM 861 CD1 LEU A 59 -13.635 12.662 -24.462 1.00 52.23 C ATOM 862 CD2 LEU A 59 -14.082 10.213 -24.272 1.00 21.25 C ATOM 0 H LEU A 59 -16.946 11.131 -27.830 1.00 64.12 H new ATOM 0 HA LEU A 59 -16.606 10.827 -24.997 1.00 54.34 H new ATOM 0 HB2 LEU A 59 -14.937 10.658 -26.967 1.00 34.34 H new ATOM 0 HB3 LEU A 59 -14.852 12.405 -26.854 1.00 34.34 H new ATOM 0 HG LEU A 59 -12.992 11.171 -25.835 1.00 3.33 H new ATOM 0 HD11 LEU A 59 -12.820 12.510 -23.754 1.00 52.23 H new ATOM 0 HD12 LEU A 59 -13.370 13.460 -25.155 1.00 52.23 H new ATOM 0 HD13 LEU A 59 -14.539 12.938 -23.920 1.00 52.23 H new ATOM 0 HD21 LEU A 59 -13.249 10.175 -23.570 1.00 21.25 H new ATOM 0 HD22 LEU A 59 -15.013 10.354 -23.723 1.00 21.25 H new ATOM 0 HD23 LEU A 59 -14.128 9.278 -24.831 1.00 21.25 H new ATOM 874 N PRO A 60 -17.186 13.018 -23.976 1.00 71.13 N ATOM 875 CA PRO A 60 -17.565 14.327 -23.419 1.00 65.44 C ATOM 876 C PRO A 60 -16.429 15.327 -23.528 1.00 44.51 C ATOM 877 O PRO A 60 -15.316 15.047 -23.108 1.00 41.01 O ATOM 878 CB PRO A 60 -17.836 14.005 -21.937 1.00 73.24 C ATOM 879 CG PRO A 60 -18.131 12.564 -21.927 1.00 65.21 C ATOM 880 CD PRO A 60 -17.229 11.967 -22.949 1.00 51.13 C ATOM 0 HA PRO A 60 -18.411 14.775 -23.941 1.00 65.44 H new ATOM 0 HB2 PRO A 60 -16.972 14.239 -21.315 1.00 73.24 H new ATOM 0 HB3 PRO A 60 -18.674 14.585 -21.550 1.00 73.24 H new ATOM 0 HG2 PRO A 60 -17.949 12.133 -20.943 1.00 65.21 H new ATOM 0 HG3 PRO A 60 -19.177 12.376 -22.169 1.00 65.21 H new ATOM 0 HD2 PRO A 60 -16.240 11.753 -22.544 1.00 51.13 H new ATOM 0 HD3 PRO A 60 -17.623 11.030 -23.342 1.00 51.13 H new ATOM 888 N ILE A 61 -16.713 16.532 -24.001 1.00 73.14 N ATOM 889 CA ILE A 61 -15.687 17.574 -24.093 1.00 62.23 C ATOM 890 C ILE A 61 -15.121 17.932 -22.703 1.00 71.55 C ATOM 891 O ILE A 61 -13.984 18.365 -22.577 1.00 21.22 O ATOM 892 CB ILE A 61 -16.222 18.823 -24.866 1.00 1.23 C ATOM 893 CG1 ILE A 61 -15.043 19.702 -25.345 1.00 51.31 C ATOM 894 CG2 ILE A 61 -17.233 19.649 -24.016 1.00 43.12 C ATOM 895 CD1 ILE A 61 -15.411 20.687 -26.490 1.00 31.31 C ATOM 0 H ILE A 61 -17.637 16.816 -24.326 1.00 73.14 H new ATOM 0 HA ILE A 61 -14.853 17.179 -24.672 1.00 62.23 H new ATOM 0 HB ILE A 61 -16.767 18.465 -25.739 1.00 1.23 H new ATOM 0 HG12 ILE A 61 -14.661 20.272 -24.498 1.00 51.31 H new ATOM 0 HG13 ILE A 61 -14.234 19.054 -25.683 1.00 51.31 H new ATOM 0 HG21 ILE A 61 -17.578 20.507 -24.593 1.00 43.12 H new ATOM 0 HG22 ILE A 61 -18.085 19.022 -23.753 1.00 43.12 H new ATOM 0 HG23 ILE A 61 -16.744 19.997 -23.106 1.00 43.12 H new ATOM 0 HD11 ILE A 61 -14.531 21.266 -26.769 1.00 31.31 H new ATOM 0 HD12 ILE A 61 -15.764 20.125 -27.354 1.00 31.31 H new ATOM 0 HD13 ILE A 61 -16.197 21.362 -26.151 1.00 31.31 H new ATOM 907 N ARG A 62 -15.894 17.657 -21.647 1.00 34.23 N ATOM 908 CA ARG A 62 -15.425 17.860 -20.275 1.00 3.51 C ATOM 909 C ARG A 62 -14.252 16.920 -19.946 1.00 1.44 C ATOM 910 O ARG A 62 -13.380 17.281 -19.194 1.00 51.20 O ATOM 911 CB ARG A 62 -16.578 17.635 -19.284 1.00 75.24 C ATOM 912 CG ARG A 62 -16.231 18.067 -17.846 1.00 61.12 C ATOM 913 CD ARG A 62 -17.380 17.819 -16.874 1.00 24.11 C ATOM 914 NE ARG A 62 -18.526 18.721 -17.110 1.00 70.14 N ATOM 915 CZ ARG A 62 -19.654 18.739 -16.400 1.00 64.42 C ATOM 916 NH1 ARG A 62 -19.848 17.944 -15.371 1.00 24.50 N ATOM 917 NH2 ARG A 62 -20.601 19.570 -16.737 1.00 4.00 N ATOM 0 H ARG A 62 -16.845 17.294 -21.717 1.00 34.23 H new ATOM 0 HA ARG A 62 -15.072 18.887 -20.185 1.00 3.51 H new ATOM 0 HB2 ARG A 62 -17.454 18.189 -19.622 1.00 75.24 H new ATOM 0 HB3 ARG A 62 -16.849 16.579 -19.285 1.00 75.24 H new ATOM 0 HG2 ARG A 62 -15.349 17.523 -17.509 1.00 61.12 H new ATOM 0 HG3 ARG A 62 -15.974 19.126 -17.839 1.00 61.12 H new ATOM 0 HD2 ARG A 62 -17.711 16.785 -16.965 1.00 24.11 H new ATOM 0 HD3 ARG A 62 -17.022 17.951 -15.853 1.00 24.11 H new ATOM 0 HE ARG A 62 -18.448 19.385 -17.880 1.00 70.14 H new ATOM 0 HH11 ARG A 62 -19.122 17.285 -15.092 1.00 24.50 H new ATOM 0 HH12 ARG A 62 -20.725 17.987 -14.852 1.00 24.50 H new ATOM 0 HH21 ARG A 62 -20.472 20.194 -17.534 1.00 4.00 H new ATOM 0 HH22 ARG A 62 -21.470 19.596 -16.204 1.00 4.00 H new ATOM 931 N GLN A 63 -14.242 15.718 -20.511 1.00 44.04 N ATOM 932 CA GLN A 63 -13.139 14.777 -20.294 1.00 33.32 C ATOM 933 C GLN A 63 -11.898 15.315 -21.000 1.00 32.31 C ATOM 934 O GLN A 63 -10.804 15.252 -20.463 1.00 12.14 O ATOM 935 CB GLN A 63 -13.499 13.381 -20.824 1.00 41.02 C ATOM 936 CG GLN A 63 -13.794 12.365 -19.735 1.00 33.01 C ATOM 937 CD GLN A 63 -15.143 12.553 -19.055 1.00 43.33 C ATOM 938 OE1 GLN A 63 -16.096 11.837 -19.328 1.00 50.30 O ATOM 939 NE2 GLN A 63 -15.222 13.490 -18.157 1.00 73.13 N ATOM 0 H GLN A 63 -14.981 15.369 -21.122 1.00 44.04 H new ATOM 0 HA GLN A 63 -12.945 14.681 -19.226 1.00 33.32 H new ATOM 0 HB2 GLN A 63 -14.369 13.464 -21.475 1.00 41.02 H new ATOM 0 HB3 GLN A 63 -12.676 13.013 -21.437 1.00 41.02 H new ATOM 0 HG2 GLN A 63 -13.753 11.365 -20.166 1.00 33.01 H new ATOM 0 HG3 GLN A 63 -13.009 12.419 -18.981 1.00 33.01 H new ATOM 0 HE21 GLN A 63 -14.408 14.070 -17.952 1.00 73.13 H new ATOM 0 HE22 GLN A 63 -16.097 13.645 -17.657 1.00 73.13 H new ATOM 948 N LEU A 64 -12.082 15.854 -22.194 1.00 12.13 N ATOM 949 CA LEU A 64 -10.965 16.407 -22.972 1.00 13.24 C ATOM 950 C LEU A 64 -10.357 17.627 -22.290 1.00 71.44 C ATOM 951 O LEU A 64 -9.155 17.728 -22.164 1.00 13.32 O ATOM 952 CB LEU A 64 -11.466 16.786 -24.359 1.00 53.22 C ATOM 953 CG LEU A 64 -10.424 17.319 -25.365 1.00 11.32 C ATOM 954 CD1 LEU A 64 -9.371 16.280 -25.731 1.00 42.54 C ATOM 955 CD2 LEU A 64 -11.145 17.756 -26.627 1.00 3.35 C ATOM 0 H LEU A 64 -12.990 15.924 -22.653 1.00 12.13 H new ATOM 0 HA LEU A 64 -10.186 15.648 -23.046 1.00 13.24 H new ATOM 0 HB2 LEU A 64 -11.941 15.909 -24.798 1.00 53.22 H new ATOM 0 HB3 LEU A 64 -12.241 17.543 -24.243 1.00 53.22 H new ATOM 0 HG LEU A 64 -9.906 18.153 -24.891 1.00 11.32 H new ATOM 0 HD11 LEU A 64 -8.666 16.711 -26.441 1.00 42.54 H new ATOM 0 HD12 LEU A 64 -8.838 15.970 -24.832 1.00 42.54 H new ATOM 0 HD13 LEU A 64 -9.856 15.414 -26.182 1.00 42.54 H new ATOM 0 HD21 LEU A 64 -10.420 18.135 -27.347 1.00 3.35 H new ATOM 0 HD22 LEU A 64 -11.673 16.905 -27.057 1.00 3.35 H new ATOM 0 HD23 LEU A 64 -11.860 18.542 -26.384 1.00 3.35 H new ATOM 967 N PHE A 65 -11.191 18.541 -21.830 1.00 50.22 N ATOM 968 CA PHE A 65 -10.679 19.748 -21.174 1.00 4.44 C ATOM 969 C PHE A 65 -10.091 19.464 -19.792 1.00 65.12 C ATOM 970 O PHE A 65 -9.239 20.208 -19.304 1.00 43.20 O ATOM 971 CB PHE A 65 -11.788 20.789 -21.013 1.00 43.52 C ATOM 972 CG PHE A 65 -12.268 21.414 -22.316 1.00 62.23 C ATOM 973 CD1 PHE A 65 -11.605 21.194 -23.554 1.00 11.31 C ATOM 974 CD2 PHE A 65 -13.385 22.267 -22.297 1.00 41.22 C ATOM 975 CE1 PHE A 65 -12.061 21.818 -24.738 1.00 11.33 C ATOM 976 CE2 PHE A 65 -13.850 22.894 -23.473 1.00 70.33 C ATOM 977 CZ PHE A 65 -13.185 22.672 -24.700 1.00 23.23 C ATOM 0 H PHE A 65 -12.207 18.482 -21.892 1.00 50.22 H new ATOM 0 HA PHE A 65 -9.886 20.126 -21.820 1.00 4.44 H new ATOM 0 HB2 PHE A 65 -12.638 20.321 -20.516 1.00 43.52 H new ATOM 0 HB3 PHE A 65 -11.431 21.582 -20.356 1.00 43.52 H new ATOM 0 HD1 PHE A 65 -10.744 20.543 -23.591 1.00 11.31 H new ATOM 0 HD2 PHE A 65 -13.898 22.446 -21.364 1.00 41.22 H new ATOM 0 HE1 PHE A 65 -11.549 21.641 -25.672 1.00 11.33 H new ATOM 0 HE2 PHE A 65 -14.713 23.542 -23.435 1.00 70.33 H new ATOM 0 HZ PHE A 65 -13.534 23.152 -25.602 1.00 23.23 H new ATOM 987 N SER A 66 -10.549 18.396 -19.157 1.00 13.32 N ATOM 988 CA SER A 66 -10.023 18.017 -17.848 1.00 43.34 C ATOM 989 C SER A 66 -8.602 17.524 -17.966 1.00 72.12 C ATOM 990 O SER A 66 -7.827 17.654 -17.020 1.00 10.14 O ATOM 991 CB SER A 66 -10.874 16.906 -17.235 1.00 54.02 C ATOM 992 OG SER A 66 -10.426 16.598 -15.933 1.00 51.12 O ATOM 0 H SER A 66 -11.276 17.780 -19.519 1.00 13.32 H new ATOM 0 HA SER A 66 -10.051 18.901 -17.211 1.00 43.34 H new ATOM 0 HB2 SER A 66 -11.918 17.217 -17.202 1.00 54.02 H new ATOM 0 HB3 SER A 66 -10.826 16.016 -17.862 1.00 54.02 H new ATOM 0 HG SER A 66 -10.983 15.886 -15.555 1.00 51.12 H new ATOM 998 N SER A 67 -8.275 16.921 -19.099 1.00 54.44 N ATOM 999 CA SER A 67 -6.936 16.391 -19.333 1.00 45.32 C ATOM 1000 C SER A 67 -6.646 16.424 -20.840 1.00 52.23 C ATOM 1001 O SER A 67 -6.958 15.472 -21.546 1.00 64.32 O ATOM 1002 CB SER A 67 -6.875 14.957 -18.829 1.00 22.14 C ATOM 1003 OG SER A 67 -7.157 14.883 -17.442 1.00 34.13 O ATOM 0 H SER A 67 -8.921 16.785 -19.876 1.00 54.44 H new ATOM 0 HA SER A 67 -6.195 16.991 -18.806 1.00 45.32 H new ATOM 0 HB2 SER A 67 -7.590 14.346 -19.380 1.00 22.14 H new ATOM 0 HB3 SER A 67 -5.885 14.544 -19.023 1.00 22.14 H new ATOM 0 HG SER A 67 -7.112 13.949 -17.148 1.00 34.13 H new ATOM 1009 N PRO A 68 -6.070 17.534 -21.359 1.00 31.32 N ATOM 1010 CA PRO A 68 -5.892 17.704 -22.811 1.00 65.44 C ATOM 1011 C PRO A 68 -4.708 16.962 -23.441 1.00 64.14 C ATOM 1012 O PRO A 68 -4.181 17.399 -24.458 1.00 32.33 O ATOM 1013 CB PRO A 68 -5.717 19.224 -22.940 1.00 53.33 C ATOM 1014 CG PRO A 68 -4.983 19.585 -21.716 1.00 12.03 C ATOM 1015 CD PRO A 68 -5.627 18.739 -20.632 1.00 1.11 C ATOM 0 HA PRO A 68 -6.735 17.274 -23.352 1.00 65.44 H new ATOM 0 HB2 PRO A 68 -5.158 19.490 -23.837 1.00 53.33 H new ATOM 0 HB3 PRO A 68 -6.677 19.736 -22.999 1.00 53.33 H new ATOM 0 HG2 PRO A 68 -3.919 19.368 -21.811 1.00 12.03 H new ATOM 0 HG3 PRO A 68 -5.073 20.649 -21.497 1.00 12.03 H new ATOM 0 HD2 PRO A 68 -4.919 18.493 -19.840 1.00 1.11 H new ATOM 0 HD3 PRO A 68 -6.464 19.256 -20.163 1.00 1.11 H new ATOM 1023 N THR A 69 -4.302 15.849 -22.849 1.00 72.50 N ATOM 1024 CA THR A 69 -3.200 15.042 -23.380 1.00 13.23 C ATOM 1025 C THR A 69 -3.794 13.699 -23.749 1.00 50.34 C ATOM 1026 O THR A 69 -4.795 13.311 -23.155 1.00 43.12 O ATOM 1027 CB THR A 69 -2.080 14.842 -22.340 1.00 21.24 C ATOM 1028 OG1 THR A 69 -2.630 14.293 -21.144 1.00 10.34 O ATOM 1029 CG2 THR A 69 -1.409 16.141 -21.967 1.00 63.43 C ATOM 0 H THR A 69 -4.718 15.478 -21.995 1.00 72.50 H new ATOM 0 HA THR A 69 -2.749 15.545 -24.236 1.00 13.23 H new ATOM 0 HB THR A 69 -1.346 14.176 -22.792 1.00 21.24 H new ATOM 0 HG1 THR A 69 -1.916 14.165 -20.485 1.00 10.34 H new ATOM 0 HG21 THR A 69 -0.627 15.949 -21.232 1.00 63.43 H new ATOM 0 HG22 THR A 69 -0.968 16.591 -22.856 1.00 63.43 H new ATOM 0 HG23 THR A 69 -2.146 16.823 -21.543 1.00 63.43 H new ATOM 1037 N PRO A 70 -3.215 12.982 -24.731 1.00 22.34 N ATOM 1038 CA PRO A 70 -3.966 11.778 -25.099 1.00 1.52 C ATOM 1039 C PRO A 70 -4.024 10.705 -24.001 1.00 22.43 C ATOM 1040 O PRO A 70 -5.055 10.054 -23.814 1.00 74.02 O ATOM 1041 CB PRO A 70 -3.232 11.306 -26.360 1.00 10.33 C ATOM 1042 CG PRO A 70 -1.879 11.778 -26.199 1.00 71.35 C ATOM 1043 CD PRO A 70 -2.030 13.151 -25.591 1.00 64.13 C ATOM 0 HA PRO A 70 -5.025 11.983 -25.258 1.00 1.52 H new ATOM 0 HB2 PRO A 70 -3.264 10.220 -26.453 1.00 10.33 H new ATOM 0 HB3 PRO A 70 -3.689 11.716 -27.260 1.00 10.33 H new ATOM 0 HG2 PRO A 70 -1.302 11.118 -25.551 1.00 71.35 H new ATOM 0 HG3 PRO A 70 -1.357 11.822 -27.155 1.00 71.35 H new ATOM 0 HD2 PRO A 70 -1.149 13.442 -25.018 1.00 64.13 H new ATOM 0 HD3 PRO A 70 -2.184 13.918 -26.350 1.00 64.13 H new ATOM 1051 N ALA A 71 -2.976 10.579 -23.184 1.00 72.21 N ATOM 1052 CA ALA A 71 -3.018 9.641 -22.057 1.00 4.44 C ATOM 1053 C ALA A 71 -3.910 10.200 -20.961 1.00 13.42 C ATOM 1054 O ALA A 71 -4.574 9.457 -20.232 1.00 12.50 O ATOM 1055 CB ALA A 71 -1.614 9.394 -21.522 1.00 55.22 C ATOM 0 H ALA A 71 -2.105 11.102 -23.276 1.00 72.21 H new ATOM 0 HA ALA A 71 -3.427 8.690 -22.399 1.00 4.44 H new ATOM 0 HB1 ALA A 71 -1.661 8.696 -20.686 1.00 55.22 H new ATOM 0 HB2 ALA A 71 -0.992 8.973 -22.312 1.00 55.22 H new ATOM 0 HB3 ALA A 71 -1.182 10.336 -21.184 1.00 55.22 H new ATOM 1061 N GLY A 72 -3.942 11.516 -20.852 1.00 61.34 N ATOM 1062 CA GLY A 72 -4.793 12.153 -19.868 1.00 65.12 C ATOM 1063 C GLY A 72 -6.262 11.906 -20.151 1.00 2.41 C ATOM 1064 O GLY A 72 -7.012 11.587 -19.240 1.00 2.02 O ATOM 0 H GLY A 72 -3.395 12.157 -21.426 1.00 61.34 H new ATOM 0 HA2 GLY A 72 -4.546 11.777 -18.875 1.00 65.12 H new ATOM 0 HA3 GLY A 72 -4.600 13.226 -19.860 1.00 65.12 H new ATOM 1068 N VAL A 73 -6.664 12.040 -21.409 1.00 44.20 N ATOM 1069 CA VAL A 73 -8.053 11.797 -21.811 1.00 24.42 C ATOM 1070 C VAL A 73 -8.432 10.371 -21.421 1.00 40.34 C ATOM 1071 O VAL A 73 -9.513 10.130 -20.873 1.00 14.24 O ATOM 1072 CB VAL A 73 -8.259 12.019 -23.364 1.00 0.14 C ATOM 1073 CG1 VAL A 73 -9.667 11.643 -23.776 1.00 31.24 C ATOM 1074 CG2 VAL A 73 -8.050 13.478 -23.741 1.00 53.11 C ATOM 0 H VAL A 73 -6.049 12.316 -22.174 1.00 44.20 H new ATOM 0 HA VAL A 73 -8.699 12.510 -21.298 1.00 24.42 H new ATOM 0 HB VAL A 73 -7.529 11.390 -23.873 1.00 0.14 H new ATOM 0 HG11 VAL A 73 -9.788 11.803 -24.847 1.00 31.24 H new ATOM 0 HG12 VAL A 73 -9.846 10.593 -23.544 1.00 31.24 H new ATOM 0 HG13 VAL A 73 -10.382 12.262 -23.234 1.00 31.24 H new ATOM 0 HG21 VAL A 73 -8.198 13.601 -24.814 1.00 53.11 H new ATOM 0 HG22 VAL A 73 -8.766 14.099 -23.202 1.00 53.11 H new ATOM 0 HG23 VAL A 73 -7.037 13.780 -23.477 1.00 53.11 H new ATOM 1084 N ALA A 74 -7.520 9.428 -21.637 1.00 13.20 N ATOM 1085 CA ALA A 74 -7.767 8.027 -21.312 1.00 13.44 C ATOM 1086 C ALA A 74 -8.018 7.841 -19.798 1.00 70.13 C ATOM 1087 O ALA A 74 -8.948 7.152 -19.390 1.00 74.05 O ATOM 1088 CB ALA A 74 -6.568 7.166 -21.771 1.00 60.23 C ATOM 0 H ALA A 74 -6.600 9.610 -22.037 1.00 13.20 H new ATOM 0 HA ALA A 74 -8.664 7.703 -21.839 1.00 13.44 H new ATOM 0 HB1 ALA A 74 -6.756 6.121 -21.527 1.00 60.23 H new ATOM 0 HB2 ALA A 74 -6.437 7.269 -22.848 1.00 60.23 H new ATOM 0 HB3 ALA A 74 -5.664 7.501 -21.262 1.00 60.23 H new ATOM 1094 N ARG A 75 -7.248 8.499 -18.970 1.00 51.34 N ATOM 1095 CA ARG A 75 -7.432 8.411 -17.509 1.00 2.44 C ATOM 1096 C ARG A 75 -8.748 9.089 -17.094 1.00 61.41 C ATOM 1097 O ARG A 75 -9.465 8.607 -16.213 1.00 32.34 O ATOM 1098 CB ARG A 75 -6.269 9.073 -16.760 1.00 14.53 C ATOM 1099 CG ARG A 75 -4.943 8.349 -16.963 1.00 75.15 C ATOM 1100 CD ARG A 75 -3.945 8.767 -15.897 1.00 31.55 C ATOM 1101 NE ARG A 75 -3.640 10.211 -15.935 1.00 10.42 N ATOM 1102 CZ ARG A 75 -2.855 10.848 -15.065 1.00 41.00 C ATOM 1103 NH1 ARG A 75 -2.248 10.238 -14.078 1.00 4.41 N ATOM 1104 NH2 ARG A 75 -2.671 12.136 -15.203 1.00 63.21 N ATOM 0 H ARG A 75 -6.483 9.106 -19.263 1.00 51.34 H new ATOM 0 HA ARG A 75 -7.463 7.354 -17.246 1.00 2.44 H new ATOM 0 HB2 ARG A 75 -6.168 10.105 -17.095 1.00 14.53 H new ATOM 0 HB3 ARG A 75 -6.500 9.105 -15.695 1.00 14.53 H new ATOM 0 HG2 ARG A 75 -5.099 7.271 -16.922 1.00 75.15 H new ATOM 0 HG3 ARG A 75 -4.545 8.575 -17.952 1.00 75.15 H new ATOM 0 HD2 ARG A 75 -4.340 8.509 -14.914 1.00 31.55 H new ATOM 0 HD3 ARG A 75 -3.022 8.202 -16.028 1.00 31.55 H new ATOM 0 HE ARG A 75 -4.061 10.763 -16.682 1.00 10.42 H new ATOM 0 HH11 ARG A 75 -2.366 9.233 -13.950 1.00 4.41 H new ATOM 0 HH12 ARG A 75 -1.657 10.768 -13.437 1.00 4.41 H new ATOM 0 HH21 ARG A 75 -3.125 12.637 -15.967 1.00 63.21 H new ATOM 0 HH22 ARG A 75 -2.074 12.639 -14.547 1.00 63.21 H new ATOM 1118 N ALA A 76 -9.038 10.217 -17.714 1.00 24.34 N ATOM 1119 CA ALA A 76 -10.225 11.006 -17.380 1.00 74.23 C ATOM 1120 C ALA A 76 -11.519 10.262 -17.716 1.00 54.34 C ATOM 1121 O ALA A 76 -12.508 10.370 -16.988 1.00 61.12 O ATOM 1122 CB ALA A 76 -10.169 12.356 -18.109 1.00 3.25 C ATOM 0 H ALA A 76 -8.467 10.616 -18.459 1.00 24.34 H new ATOM 0 HA ALA A 76 -10.227 11.176 -16.303 1.00 74.23 H new ATOM 0 HB1 ALA A 76 -11.054 12.942 -17.859 1.00 3.25 H new ATOM 0 HB2 ALA A 76 -9.275 12.899 -17.801 1.00 3.25 H new ATOM 0 HB3 ALA A 76 -10.138 12.187 -19.185 1.00 3.25 H new ATOM 1128 N LEU A 77 -11.528 9.519 -18.805 1.00 25.41 N ATOM 1129 CA LEU A 77 -12.715 8.771 -19.187 1.00 0.12 C ATOM 1130 C LEU A 77 -12.834 7.465 -18.398 1.00 51.33 C ATOM 1131 O LEU A 77 -13.938 7.070 -18.027 1.00 44.35 O ATOM 1132 CB LEU A 77 -12.753 8.546 -20.702 1.00 72.33 C ATOM 1133 CG LEU A 77 -11.763 7.544 -21.331 1.00 31.23 C ATOM 1134 CD1 LEU A 77 -12.299 6.112 -21.386 1.00 33.11 C ATOM 1135 CD2 LEU A 77 -11.411 7.979 -22.744 1.00 32.32 C ATOM 0 H LEU A 77 -10.735 9.416 -19.438 1.00 25.41 H new ATOM 0 HA LEU A 77 -13.590 9.367 -18.929 1.00 0.12 H new ATOM 0 HB2 LEU A 77 -13.761 8.221 -20.962 1.00 72.33 H new ATOM 0 HB3 LEU A 77 -12.595 9.511 -21.183 1.00 72.33 H new ATOM 0 HG LEU A 77 -10.884 7.544 -20.686 1.00 31.23 H new ATOM 0 HD11 LEU A 77 -11.552 5.461 -21.840 1.00 33.11 H new ATOM 0 HD12 LEU A 77 -12.516 5.766 -20.376 1.00 33.11 H new ATOM 0 HD13 LEU A 77 -13.211 6.088 -21.982 1.00 33.11 H new ATOM 0 HD21 LEU A 77 -10.712 7.266 -23.181 1.00 32.32 H new ATOM 0 HD22 LEU A 77 -12.317 8.016 -23.349 1.00 32.32 H new ATOM 0 HD23 LEU A 77 -10.952 8.967 -22.717 1.00 32.32 H new