USER MOD reduce.3.24.130724 H: found=0, std=0, add=519, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 519 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 11 THR OG1 : rot 25:sc= 0.824 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 CYS SG : rot 180:sc= -0.0317 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HD1:sc= -0.161 X(o=-0.16,f=-0.17) USER MOD Single : A 40 SER OG : rot 180:sc= 0.146 USER MOD Single : A 41 SER OG : rot 180:sc= 0.0308 USER MOD Single : A 45 MET CE :methyl 177:sc= 0 (180deg=-0.00964) USER MOD Single : A 63 GLN :FLIP amide:sc= -0.402 F(o=-1.7!,f=-0.4) USER MOD Single : A 66 SER OG : rot 96:sc= 1.2 USER MOD Single : A 67 SER OG : rot 180:sc= -0.0173 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.035 USER MOD ----------------------------------------------------------------- ATOM 127 N THR A 11 -8.495 2.241 -24.247 1.00 14.11 N ATOM 128 CA THR A 11 -8.923 3.614 -24.482 1.00 35.00 C ATOM 129 C THR A 11 -7.758 4.558 -24.716 1.00 62.31 C ATOM 130 O THR A 11 -7.804 5.397 -25.602 1.00 63.23 O ATOM 131 CB THR A 11 -9.699 4.135 -23.248 1.00 54.33 C ATOM 132 OG1 THR A 11 -10.101 3.012 -22.459 1.00 43.14 O ATOM 133 CG2 THR A 11 -10.956 4.869 -23.665 1.00 4.24 C ATOM 0 HA THR A 11 -9.546 3.596 -25.376 1.00 35.00 H new ATOM 0 HB THR A 11 -9.050 4.813 -22.694 1.00 54.33 H new ATOM 0 HG1 THR A 11 -9.496 2.260 -22.629 1.00 43.14 H new ATOM 0 HG21 THR A 11 -11.481 5.224 -22.778 1.00 4.24 H new ATOM 0 HG22 THR A 11 -10.690 5.719 -24.293 1.00 4.24 H new ATOM 0 HG23 THR A 11 -11.603 4.193 -24.224 1.00 4.24 H new ATOM 141 N GLU A 12 -6.688 4.415 -23.941 1.00 32.32 N ATOM 142 CA GLU A 12 -5.523 5.291 -24.076 1.00 45.10 C ATOM 143 C GLU A 12 -4.893 5.115 -25.443 1.00 25.03 C ATOM 144 O GLU A 12 -4.429 6.074 -26.046 1.00 54.30 O ATOM 145 CB GLU A 12 -4.474 4.966 -23.013 1.00 73.13 C ATOM 146 CG GLU A 12 -4.930 5.360 -21.620 1.00 15.44 C ATOM 147 CD GLU A 12 -4.019 4.816 -20.535 1.00 23.22 C ATOM 148 OE1 GLU A 12 -3.730 3.600 -20.549 1.00 33.03 O ATOM 149 OE2 GLU A 12 -3.700 5.568 -19.588 1.00 71.20 O ATOM 0 H GLU A 12 -6.600 3.704 -23.215 1.00 32.32 H new ATOM 0 HA GLU A 12 -5.862 6.319 -23.949 1.00 45.10 H new ATOM 0 HB2 GLU A 12 -4.256 3.898 -23.034 1.00 73.13 H new ATOM 0 HB3 GLU A 12 -3.545 5.485 -23.250 1.00 73.13 H new ATOM 0 HG2 GLU A 12 -4.967 6.447 -21.547 1.00 15.44 H new ATOM 0 HG3 GLU A 12 -5.944 4.994 -21.456 1.00 15.44 H new ATOM 156 N LYS A 13 -4.896 3.886 -25.929 1.00 74.11 N ATOM 157 CA LYS A 13 -4.297 3.568 -27.230 1.00 33.30 C ATOM 158 C LYS A 13 -5.074 4.228 -28.369 1.00 1.22 C ATOM 159 O LYS A 13 -4.483 4.747 -29.304 1.00 13.50 O ATOM 160 CB LYS A 13 -4.265 2.061 -27.443 1.00 11.32 C ATOM 161 CG LYS A 13 -3.528 1.334 -26.340 1.00 42.34 C ATOM 162 CD LYS A 13 -3.502 -0.168 -26.564 1.00 22.52 C ATOM 163 CE LYS A 13 -2.440 -0.568 -27.580 1.00 25.23 C ATOM 164 NZ LYS A 13 -2.317 -2.070 -27.648 1.00 54.11 N ATOM 0 H LYS A 13 -5.305 3.085 -25.448 1.00 74.11 H new ATOM 0 HA LYS A 13 -3.279 3.956 -27.232 1.00 33.30 H new ATOM 0 HB2 LYS A 13 -5.286 1.684 -27.502 1.00 11.32 H new ATOM 0 HB3 LYS A 13 -3.789 1.843 -28.399 1.00 11.32 H new ATOM 0 HG2 LYS A 13 -2.506 1.709 -26.279 1.00 42.34 H new ATOM 0 HG3 LYS A 13 -4.004 1.549 -25.383 1.00 42.34 H new ATOM 0 HD2 LYS A 13 -3.309 -0.674 -25.618 1.00 22.52 H new ATOM 0 HD3 LYS A 13 -4.480 -0.501 -26.910 1.00 22.52 H new ATOM 0 HE2 LYS A 13 -2.700 -0.173 -28.562 1.00 25.23 H new ATOM 0 HE3 LYS A 13 -1.481 -0.130 -27.304 1.00 25.23 H new ATOM 0 HZ1 LYS A 13 -1.589 -2.328 -28.345 1.00 54.11 H new ATOM 0 HZ2 LYS A 13 -2.048 -2.439 -26.714 1.00 54.11 H new ATOM 0 HZ3 LYS A 13 -3.229 -2.480 -27.932 1.00 54.11 H new ATOM 178 N VAL A 14 -6.398 4.230 -28.259 1.00 52.34 N ATOM 179 CA VAL A 14 -7.255 4.855 -29.265 1.00 31.42 C ATOM 180 C VAL A 14 -6.976 6.341 -29.226 1.00 63.14 C ATOM 181 O VAL A 14 -6.635 6.955 -30.247 1.00 23.24 O ATOM 182 CB VAL A 14 -8.775 4.588 -28.976 1.00 54.31 C ATOM 183 CG1 VAL A 14 -9.669 5.446 -29.896 1.00 50.14 C ATOM 184 CG2 VAL A 14 -9.085 3.087 -29.139 1.00 42.32 C ATOM 0 H VAL A 14 -6.904 3.805 -27.482 1.00 52.34 H new ATOM 0 HA VAL A 14 -7.039 4.434 -30.247 1.00 31.42 H new ATOM 0 HB VAL A 14 -8.993 4.876 -27.947 1.00 54.31 H new ATOM 0 HG11 VAL A 14 -10.717 5.243 -29.677 1.00 50.14 H new ATOM 0 HG12 VAL A 14 -9.460 6.502 -29.725 1.00 50.14 H new ATOM 0 HG13 VAL A 14 -9.462 5.200 -30.937 1.00 50.14 H new ATOM 0 HG21 VAL A 14 -10.141 2.910 -28.937 1.00 42.32 H new ATOM 0 HG22 VAL A 14 -8.853 2.776 -30.158 1.00 42.32 H new ATOM 0 HG23 VAL A 14 -8.480 2.512 -28.438 1.00 42.32 H new ATOM 194 N LEU A 15 -7.067 6.920 -28.039 1.00 1.31 N ATOM 195 CA LEU A 15 -6.861 8.356 -27.866 1.00 73.54 C ATOM 196 C LEU A 15 -5.479 8.815 -28.343 1.00 20.04 C ATOM 197 O LEU A 15 -5.369 9.818 -29.031 1.00 61.13 O ATOM 198 CB LEU A 15 -7.068 8.698 -26.391 1.00 22.24 C ATOM 199 CG LEU A 15 -8.515 8.533 -25.920 1.00 22.21 C ATOM 200 CD1 LEU A 15 -8.510 8.470 -24.408 1.00 65.31 C ATOM 201 CD2 LEU A 15 -9.401 9.684 -26.399 1.00 14.14 C ATOM 0 H LEU A 15 -7.283 6.419 -27.177 1.00 1.31 H new ATOM 0 HA LEU A 15 -7.584 8.887 -28.485 1.00 73.54 H new ATOM 0 HB2 LEU A 15 -6.423 8.062 -25.785 1.00 22.24 H new ATOM 0 HB3 LEU A 15 -6.754 9.727 -26.218 1.00 22.24 H new ATOM 0 HG LEU A 15 -8.928 7.617 -26.343 1.00 22.21 H new ATOM 0 HD11 LEU A 15 -9.531 8.352 -24.045 1.00 65.31 H new ATOM 0 HD12 LEU A 15 -7.909 7.622 -24.081 1.00 65.31 H new ATOM 0 HD13 LEU A 15 -8.086 9.391 -24.007 1.00 65.31 H new ATOM 0 HD21 LEU A 15 -10.420 9.530 -26.044 1.00 14.14 H new ATOM 0 HD22 LEU A 15 -9.018 10.626 -26.006 1.00 14.14 H new ATOM 0 HD23 LEU A 15 -9.397 9.717 -27.488 1.00 14.14 H new ATOM 213 N CYS A 16 -4.440 8.052 -28.044 1.00 42.54 N ATOM 214 CA CYS A 16 -3.089 8.374 -28.553 1.00 22.14 C ATOM 215 C CYS A 16 -3.039 8.420 -30.093 1.00 22.25 C ATOM 216 O CYS A 16 -2.444 9.320 -30.653 1.00 43.33 O ATOM 217 CB CYS A 16 -2.074 7.341 -28.063 1.00 72.55 C ATOM 218 SG CYS A 16 -1.278 7.755 -26.493 1.00 72.53 S ATOM 0 H CYS A 16 -4.489 7.216 -27.462 1.00 42.54 H new ATOM 0 HA CYS A 16 -2.840 9.364 -28.170 1.00 22.14 H new ATOM 0 HB2 CYS A 16 -2.576 6.379 -27.958 1.00 72.55 H new ATOM 0 HB3 CYS A 16 -1.304 7.218 -28.825 1.00 72.55 H new ATOM 0 HG CYS A 16 -0.441 6.815 -26.170 1.00 72.53 H new ATOM 224 N ALA A 17 -3.652 7.457 -30.763 1.00 42.14 N ATOM 225 CA ALA A 17 -3.638 7.445 -32.219 1.00 21.04 C ATOM 226 C ALA A 17 -4.474 8.586 -32.792 1.00 65.55 C ATOM 227 O ALA A 17 -4.067 9.228 -33.753 1.00 21.34 O ATOM 228 CB ALA A 17 -4.135 6.103 -32.738 1.00 63.30 C ATOM 0 H ALA A 17 -4.158 6.684 -30.331 1.00 42.14 H new ATOM 0 HA ALA A 17 -2.609 7.591 -32.549 1.00 21.04 H new ATOM 0 HB1 ALA A 17 -4.120 6.106 -33.828 1.00 63.30 H new ATOM 0 HB2 ALA A 17 -3.488 5.308 -32.369 1.00 63.30 H new ATOM 0 HB3 ALA A 17 -5.154 5.933 -32.390 1.00 63.30 H new ATOM 234 N LEU A 18 -5.627 8.853 -32.195 1.00 11.05 N ATOM 235 CA LEU A 18 -6.499 9.916 -32.708 1.00 2.53 C ATOM 236 C LEU A 18 -5.867 11.285 -32.530 1.00 4.32 C ATOM 237 O LEU A 18 -6.039 12.156 -33.365 1.00 54.04 O ATOM 238 CB LEU A 18 -7.863 9.915 -32.034 1.00 55.52 C ATOM 239 CG LEU A 18 -8.719 8.644 -32.247 1.00 10.33 C ATOM 240 CD1 LEU A 18 -10.135 8.892 -31.705 1.00 41.45 C ATOM 241 CD2 LEU A 18 -8.757 8.195 -33.705 1.00 23.13 C ATOM 0 H LEU A 18 -5.981 8.364 -31.373 1.00 11.05 H new ATOM 0 HA LEU A 18 -6.632 9.710 -33.770 1.00 2.53 H new ATOM 0 HB2 LEU A 18 -7.718 10.057 -30.963 1.00 55.52 H new ATOM 0 HB3 LEU A 18 -8.427 10.775 -32.396 1.00 55.52 H new ATOM 0 HG LEU A 18 -8.253 7.827 -31.696 1.00 10.33 H new ATOM 0 HD11 LEU A 18 -10.743 7.999 -31.853 1.00 41.45 H new ATOM 0 HD12 LEU A 18 -10.082 9.123 -30.641 1.00 41.45 H new ATOM 0 HD13 LEU A 18 -10.586 9.730 -32.236 1.00 41.45 H new ATOM 0 HD21 LEU A 18 -9.372 7.299 -33.794 1.00 23.13 H new ATOM 0 HD22 LEU A 18 -9.181 8.989 -34.319 1.00 23.13 H new ATOM 0 HD23 LEU A 18 -7.745 7.975 -34.045 1.00 23.13 H new ATOM 253 N TYR A 19 -5.062 11.459 -31.484 1.00 13.21 N ATOM 254 CA TYR A 19 -4.306 12.699 -31.316 1.00 35.53 C ATOM 255 C TYR A 19 -3.434 12.896 -32.559 1.00 23.15 C ATOM 256 O TYR A 19 -3.397 13.994 -33.123 1.00 12.24 O ATOM 257 CB TYR A 19 -3.424 12.620 -30.061 1.00 73.42 C ATOM 258 CG TYR A 19 -4.027 13.208 -28.792 1.00 53.53 C ATOM 259 CD1 TYR A 19 -5.350 12.889 -28.388 1.00 13.21 C ATOM 260 CD2 TYR A 19 -3.265 14.068 -27.963 1.00 41.42 C ATOM 261 CE1 TYR A 19 -5.887 13.422 -27.191 1.00 33.15 C ATOM 262 CE2 TYR A 19 -3.821 14.597 -26.752 1.00 34.22 C ATOM 263 CZ TYR A 19 -5.113 14.272 -26.389 1.00 53.40 C ATOM 264 OH TYR A 19 -5.633 14.792 -25.219 1.00 64.42 O ATOM 0 H TYR A 19 -4.917 10.767 -30.749 1.00 13.21 H new ATOM 0 HA TYR A 19 -4.989 13.540 -31.196 1.00 35.53 H new ATOM 0 HB2 TYR A 19 -3.181 11.574 -29.875 1.00 73.42 H new ATOM 0 HB3 TYR A 19 -2.485 13.133 -30.267 1.00 73.42 H new ATOM 0 HD1 TYR A 19 -5.953 12.234 -28.999 1.00 13.21 H new ATOM 0 HD2 TYR A 19 -2.256 14.328 -28.246 1.00 41.42 H new ATOM 0 HE1 TYR A 19 -6.895 13.173 -26.895 1.00 33.15 H new ATOM 0 HE2 TYR A 19 -3.230 15.248 -26.125 1.00 34.22 H new ATOM 0 HH TYR A 19 -4.961 15.360 -24.787 1.00 64.42 H new ATOM 274 N ALA A 20 -2.756 11.831 -32.999 1.00 34.22 N ATOM 275 CA ALA A 20 -1.852 11.921 -34.131 1.00 14.53 C ATOM 276 C ALA A 20 -2.567 12.316 -35.422 1.00 5.11 C ATOM 277 O ALA A 20 -2.035 13.061 -36.226 1.00 43.33 O ATOM 278 CB ALA A 20 -1.126 10.555 -34.346 1.00 41.30 C ATOM 0 H ALA A 20 -2.822 10.902 -32.584 1.00 34.22 H new ATOM 0 HA ALA A 20 -1.130 12.703 -33.897 1.00 14.53 H new ATOM 0 HB1 ALA A 20 -0.450 10.632 -35.197 1.00 41.30 H new ATOM 0 HB2 ALA A 20 -0.556 10.301 -33.452 1.00 41.30 H new ATOM 0 HB3 ALA A 20 -1.865 9.777 -34.539 1.00 41.30 H new ATOM 284 N GLU A 21 -3.747 11.776 -35.612 1.00 41.20 N ATOM 285 CA GLU A 21 -4.533 12.068 -36.819 1.00 13.25 C ATOM 286 C GLU A 21 -4.960 13.529 -36.896 1.00 14.32 C ATOM 287 O GLU A 21 -5.044 14.125 -37.972 1.00 3.31 O ATOM 288 CB GLU A 21 -5.801 11.194 -36.888 1.00 54.54 C ATOM 289 CG GLU A 21 -5.579 9.692 -36.956 1.00 63.24 C ATOM 290 CD GLU A 21 -6.908 8.949 -37.038 1.00 51.13 C ATOM 291 OE1 GLU A 21 -7.911 9.576 -37.430 1.00 44.44 O ATOM 292 OE2 GLU A 21 -6.942 7.739 -36.765 1.00 14.50 O ATOM 0 H GLU A 21 -4.195 11.133 -34.959 1.00 41.20 H new ATOM 0 HA GLU A 21 -3.876 11.845 -37.659 1.00 13.25 H new ATOM 0 HB2 GLU A 21 -6.414 11.410 -36.013 1.00 54.54 H new ATOM 0 HB3 GLU A 21 -6.377 11.495 -37.763 1.00 54.54 H new ATOM 0 HG2 GLU A 21 -4.968 9.450 -37.825 1.00 63.24 H new ATOM 0 HG3 GLU A 21 -5.027 9.362 -36.076 1.00 63.24 H new ATOM 299 N ILE A 22 -5.275 14.087 -35.746 1.00 65.44 N ATOM 300 CA ILE A 22 -5.824 15.424 -35.650 1.00 61.35 C ATOM 301 C ILE A 22 -4.756 16.510 -35.597 1.00 70.33 C ATOM 302 O ILE A 22 -4.902 17.565 -36.199 1.00 74.50 O ATOM 303 CB ILE A 22 -6.714 15.470 -34.378 1.00 64.15 C ATOM 304 CG1 ILE A 22 -7.907 14.513 -34.517 1.00 3.12 C ATOM 305 CG2 ILE A 22 -7.216 16.956 -34.082 1.00 31.23 C ATOM 306 CD1 ILE A 22 -8.945 14.878 -35.575 1.00 43.22 C ATOM 0 H ILE A 22 -5.157 13.623 -34.845 1.00 65.44 H new ATOM 0 HA ILE A 22 -6.403 15.631 -36.550 1.00 61.35 H new ATOM 0 HB ILE A 22 -6.108 15.145 -33.532 1.00 64.15 H new ATOM 0 HG12 ILE A 22 -7.523 13.518 -34.743 1.00 3.12 H new ATOM 0 HG13 ILE A 22 -8.409 14.450 -33.552 1.00 3.12 H new ATOM 0 HG21 ILE A 22 -7.837 16.959 -33.186 1.00 31.23 H new ATOM 0 HG22 ILE A 22 -6.355 17.607 -33.929 1.00 31.23 H new ATOM 0 HG23 ILE A 22 -7.799 17.318 -34.929 1.00 31.23 H new ATOM 0 HD11 ILE A 22 -9.738 14.130 -35.580 1.00 43.22 H new ATOM 0 HD12 ILE A 22 -9.370 15.856 -35.346 1.00 43.22 H new ATOM 0 HD13 ILE A 22 -8.470 14.909 -36.555 1.00 43.22 H new ATOM 318 N LEU A 23 -3.661 16.223 -34.900 1.00 45.53 N ATOM 319 CA LEU A 23 -2.561 17.167 -34.749 1.00 41.03 C ATOM 320 C LEU A 23 -1.553 17.048 -35.887 1.00 53.21 C ATOM 321 O LEU A 23 -0.813 17.984 -36.154 1.00 54.44 O ATOM 322 CB LEU A 23 -1.847 16.908 -33.423 1.00 0.41 C ATOM 323 CG LEU A 23 -2.694 17.224 -32.169 1.00 4.54 C ATOM 324 CD1 LEU A 23 -2.238 16.354 -31.020 1.00 43.13 C ATOM 325 CD2 LEU A 23 -2.582 18.686 -31.787 1.00 33.43 C ATOM 0 H LEU A 23 -3.512 15.332 -34.426 1.00 45.53 H new ATOM 0 HA LEU A 23 -2.981 18.173 -34.769 1.00 41.03 H new ATOM 0 HB2 LEU A 23 -1.542 15.862 -33.387 1.00 0.41 H new ATOM 0 HB3 LEU A 23 -0.936 17.506 -33.392 1.00 0.41 H new ATOM 0 HG LEU A 23 -3.739 17.015 -32.397 1.00 4.54 H new ATOM 0 HD11 LEU A 23 -2.835 16.577 -30.136 1.00 43.13 H new ATOM 0 HD12 LEU A 23 -2.362 15.304 -31.287 1.00 43.13 H new ATOM 0 HD13 LEU A 23 -1.187 16.553 -30.808 1.00 43.13 H new ATOM 0 HD21 LEU A 23 -3.188 18.878 -30.902 1.00 33.43 H new ATOM 0 HD22 LEU A 23 -1.541 18.927 -31.573 1.00 33.43 H new ATOM 0 HD23 LEU A 23 -2.936 19.306 -32.611 1.00 33.43 H new ATOM 337 N GLY A 24 -1.544 15.899 -36.554 1.00 60.32 N ATOM 338 CA GLY A 24 -0.627 15.681 -37.669 1.00 71.21 C ATOM 339 C GLY A 24 0.796 15.440 -37.204 1.00 42.44 C ATOM 340 O GLY A 24 1.747 15.804 -37.906 1.00 44.51 O ATOM 0 H GLY A 24 -2.155 15.110 -36.345 1.00 60.32 H new ATOM 0 HA2 GLY A 24 -0.966 14.826 -38.253 1.00 71.21 H new ATOM 0 HA3 GLY A 24 -0.649 16.548 -38.330 1.00 71.21 H new ATOM 344 N VAL A 25 0.963 14.850 -36.022 1.00 43.23 N ATOM 345 CA VAL A 25 2.305 14.610 -35.473 1.00 11.42 C ATOM 346 C VAL A 25 2.690 13.134 -35.605 1.00 24.41 C ATOM 347 O VAL A 25 1.834 12.235 -35.650 1.00 5.34 O ATOM 348 CB VAL A 25 2.412 15.084 -33.975 1.00 15.20 C ATOM 349 CG1 VAL A 25 2.213 16.592 -33.897 1.00 43.24 C ATOM 350 CG2 VAL A 25 1.382 14.385 -33.084 1.00 45.12 C ATOM 0 H VAL A 25 0.198 14.531 -35.428 1.00 43.23 H new ATOM 0 HA VAL A 25 3.010 15.203 -36.056 1.00 11.42 H new ATOM 0 HB VAL A 25 3.405 14.819 -33.613 1.00 15.20 H new ATOM 0 HG11 VAL A 25 2.288 16.916 -32.859 1.00 43.24 H new ATOM 0 HG12 VAL A 25 2.980 17.091 -34.489 1.00 43.24 H new ATOM 0 HG13 VAL A 25 1.228 16.850 -34.287 1.00 43.24 H new ATOM 0 HG21 VAL A 25 1.488 14.739 -32.059 1.00 45.12 H new ATOM 0 HG22 VAL A 25 0.378 14.610 -33.443 1.00 45.12 H new ATOM 0 HG23 VAL A 25 1.546 13.308 -33.115 1.00 45.12 H new ATOM 360 N GLU A 26 3.990 12.906 -35.716 1.00 14.22 N ATOM 361 CA GLU A 26 4.527 11.568 -35.995 1.00 23.43 C ATOM 362 C GLU A 26 4.252 10.498 -34.924 1.00 44.31 C ATOM 363 O GLU A 26 4.156 9.298 -35.230 1.00 50.13 O ATOM 364 CB GLU A 26 6.051 11.670 -36.151 1.00 2.22 C ATOM 365 CG GLU A 26 6.544 12.715 -37.148 1.00 70.30 C ATOM 366 CD GLU A 26 6.038 12.444 -38.554 1.00 44.33 C ATOM 367 OE1 GLU A 26 6.190 11.302 -39.033 1.00 65.15 O ATOM 368 OE2 GLU A 26 5.526 13.387 -39.195 1.00 22.12 O ATOM 0 H GLU A 26 4.702 13.630 -35.618 1.00 14.22 H new ATOM 0 HA GLU A 26 4.011 11.243 -36.898 1.00 23.43 H new ATOM 0 HB2 GLU A 26 6.484 11.892 -35.176 1.00 2.22 H new ATOM 0 HB3 GLU A 26 6.433 10.695 -36.455 1.00 2.22 H new ATOM 0 HG2 GLU A 26 6.215 13.704 -36.829 1.00 70.30 H new ATOM 0 HG3 GLU A 26 7.634 12.727 -37.151 1.00 70.30 H new ATOM 375 N ARG A 27 4.159 10.942 -33.676 1.00 52.31 N ATOM 376 CA ARG A 27 3.906 10.046 -32.557 1.00 64.01 C ATOM 377 C ARG A 27 3.253 10.850 -31.456 1.00 4.10 C ATOM 378 O ARG A 27 3.352 12.084 -31.435 1.00 63.41 O ATOM 379 CB ARG A 27 5.215 9.461 -32.062 1.00 32.54 C ATOM 380 CG ARG A 27 5.135 7.997 -31.742 1.00 50.42 C ATOM 381 CD ARG A 27 6.513 7.477 -31.352 1.00 12.04 C ATOM 382 NE ARG A 27 6.438 6.040 -31.023 1.00 72.50 N ATOM 383 CZ ARG A 27 6.260 5.526 -29.810 1.00 74.53 C ATOM 384 NH1 ARG A 27 6.131 6.283 -28.759 1.00 24.25 N ATOM 385 NH2 ARG A 27 6.202 4.232 -29.668 1.00 20.32 N ATOM 0 H ARG A 27 4.256 11.923 -33.414 1.00 52.31 H new ATOM 0 HA ARG A 27 3.256 9.227 -32.864 1.00 64.01 H new ATOM 0 HB2 ARG A 27 5.983 9.617 -32.820 1.00 32.54 H new ATOM 0 HB3 ARG A 27 5.532 10.003 -31.171 1.00 32.54 H new ATOM 0 HG2 ARG A 27 4.430 7.832 -30.927 1.00 50.42 H new ATOM 0 HG3 ARG A 27 4.760 7.447 -32.605 1.00 50.42 H new ATOM 0 HD2 ARG A 27 7.215 7.634 -32.171 1.00 12.04 H new ATOM 0 HD3 ARG A 27 6.892 8.035 -30.496 1.00 12.04 H new ATOM 0 HE ARG A 27 6.531 5.382 -31.797 1.00 72.50 H new ATOM 0 HH11 ARG A 27 6.165 7.298 -28.854 1.00 24.25 H new ATOM 0 HH12 ARG A 27 5.995 5.861 -27.840 1.00 24.25 H new ATOM 0 HH21 ARG A 27 6.293 3.625 -30.483 1.00 20.32 H new ATOM 0 HH22 ARG A 27 6.066 3.826 -28.742 1.00 20.32 H new ATOM 399 N VAL A 28 2.636 10.129 -30.529 1.00 15.42 N ATOM 400 CA VAL A 28 2.026 10.754 -29.385 1.00 64.14 C ATOM 401 C VAL A 28 2.376 9.916 -28.148 1.00 62.11 C ATOM 402 O VAL A 28 2.319 8.688 -28.182 1.00 2.42 O ATOM 403 CB VAL A 28 0.469 10.750 -29.520 1.00 64.23 C ATOM 404 CG1 VAL A 28 -0.204 11.502 -28.406 1.00 64.15 C ATOM 405 CG2 VAL A 28 0.058 11.356 -30.875 1.00 44.23 C ATOM 0 H VAL A 28 2.550 9.113 -30.555 1.00 15.42 H new ATOM 0 HA VAL A 28 2.385 11.780 -29.307 1.00 64.14 H new ATOM 0 HB VAL A 28 0.143 9.712 -29.459 1.00 64.23 H new ATOM 0 HG11 VAL A 28 -1.284 11.470 -28.546 1.00 64.15 H new ATOM 0 HG12 VAL A 28 0.052 11.044 -27.451 1.00 64.15 H new ATOM 0 HG13 VAL A 28 0.132 12.539 -28.412 1.00 64.15 H new ATOM 0 HG21 VAL A 28 -1.029 11.350 -30.962 1.00 44.23 H new ATOM 0 HG22 VAL A 28 0.421 12.382 -30.940 1.00 44.23 H new ATOM 0 HG23 VAL A 28 0.490 10.766 -31.683 1.00 44.23 H new ATOM 415 N GLY A 29 2.784 10.563 -27.053 1.00 72.43 N ATOM 416 CA GLY A 29 3.016 9.876 -25.780 1.00 74.11 C ATOM 417 C GLY A 29 1.706 9.836 -25.004 1.00 55.25 C ATOM 418 O GLY A 29 0.775 10.598 -25.287 1.00 25.22 O ATOM 0 H GLY A 29 2.961 11.567 -27.023 1.00 72.43 H new ATOM 0 HA2 GLY A 29 3.382 8.865 -25.957 1.00 74.11 H new ATOM 0 HA3 GLY A 29 3.781 10.396 -25.204 1.00 74.11 H new ATOM 422 N VAL A 30 1.602 8.994 -23.983 1.00 45.12 N ATOM 423 CA VAL A 30 0.352 8.940 -23.190 1.00 44.45 C ATOM 424 C VAL A 30 0.178 10.216 -22.360 1.00 72.42 C ATOM 425 O VAL A 30 -0.925 10.570 -21.953 1.00 20.33 O ATOM 426 CB VAL A 30 0.263 7.701 -22.250 1.00 22.33 C ATOM 427 CG1 VAL A 30 -0.157 6.474 -23.033 1.00 33.25 C ATOM 428 CG2 VAL A 30 1.611 7.461 -21.512 1.00 12.45 C ATOM 0 H VAL A 30 2.335 8.353 -23.681 1.00 45.12 H new ATOM 0 HA VAL A 30 -0.453 8.852 -23.919 1.00 44.45 H new ATOM 0 HB VAL A 30 -0.495 7.899 -21.493 1.00 22.33 H new ATOM 0 HG11 VAL A 30 -0.215 5.617 -22.362 1.00 33.25 H new ATOM 0 HG12 VAL A 30 -1.134 6.648 -23.485 1.00 33.25 H new ATOM 0 HG13 VAL A 30 0.575 6.274 -23.816 1.00 33.25 H new ATOM 0 HG21 VAL A 30 1.520 6.590 -20.863 1.00 12.45 H new ATOM 0 HG22 VAL A 30 2.400 7.288 -22.243 1.00 12.45 H new ATOM 0 HG23 VAL A 30 1.858 8.337 -20.912 1.00 12.45 H new ATOM 438 N ASP A 31 1.282 10.920 -22.116 1.00 21.44 N ATOM 439 CA ASP A 31 1.273 12.105 -21.295 1.00 72.25 C ATOM 440 C ASP A 31 1.504 13.349 -22.164 1.00 12.32 C ATOM 441 O ASP A 31 1.895 14.406 -21.672 1.00 20.23 O ATOM 442 CB ASP A 31 2.374 11.989 -20.232 1.00 12.54 C ATOM 443 CG ASP A 31 2.190 10.782 -19.313 1.00 4.14 C ATOM 444 OD1 ASP A 31 1.145 10.677 -18.636 1.00 55.34 O ATOM 445 OD2 ASP A 31 3.071 9.882 -19.327 1.00 63.05 O ATOM 0 H ASP A 31 2.201 10.676 -22.486 1.00 21.44 H new ATOM 0 HA ASP A 31 0.305 12.202 -20.804 1.00 72.25 H new ATOM 0 HB2 ASP A 31 3.343 11.918 -20.726 1.00 12.54 H new ATOM 0 HB3 ASP A 31 2.388 12.898 -19.631 1.00 12.54 H new ATOM 450 N ASP A 32 1.314 13.198 -23.466 1.00 44.44 N ATOM 451 CA ASP A 32 1.642 14.265 -24.410 1.00 14.01 C ATOM 452 C ASP A 32 0.493 15.266 -24.445 1.00 21.30 C ATOM 453 O ASP A 32 -0.662 14.877 -24.627 1.00 12.33 O ATOM 454 CB ASP A 32 1.841 13.676 -25.806 1.00 1.13 C ATOM 455 CG ASP A 32 3.101 14.152 -26.464 1.00 44.34 C ATOM 456 OD1 ASP A 32 3.474 15.318 -26.279 1.00 65.14 O ATOM 457 OD2 ASP A 32 3.755 13.307 -27.121 1.00 15.13 O ATOM 0 H ASP A 32 0.937 12.353 -23.895 1.00 44.44 H new ATOM 0 HA ASP A 32 2.560 14.761 -24.095 1.00 14.01 H new ATOM 0 HB2 ASP A 32 1.861 12.588 -25.737 1.00 1.13 H new ATOM 0 HB3 ASP A 32 0.988 13.940 -26.431 1.00 1.13 H new ATOM 462 N ALA A 33 0.779 16.532 -24.208 1.00 43.41 N ATOM 463 CA ALA A 33 -0.284 17.525 -24.114 1.00 60.32 C ATOM 464 C ALA A 33 -0.775 17.946 -25.496 1.00 0.34 C ATOM 465 O ALA A 33 -0.015 18.348 -26.358 1.00 40.21 O ATOM 466 CB ALA A 33 0.182 18.734 -23.319 1.00 44.35 C ATOM 0 H ALA A 33 1.722 16.897 -24.078 1.00 43.41 H new ATOM 0 HA ALA A 33 -1.122 17.067 -23.589 1.00 60.32 H new ATOM 0 HB1 ALA A 33 -0.625 19.464 -23.260 1.00 44.35 H new ATOM 0 HB2 ALA A 33 0.463 18.422 -22.313 1.00 44.35 H new ATOM 0 HB3 ALA A 33 1.043 19.184 -23.813 1.00 44.35 H new ATOM 472 N PHE A 34 -2.089 17.927 -25.655 1.00 43.03 N ATOM 473 CA PHE A 34 -2.724 18.300 -26.932 1.00 14.13 C ATOM 474 C PHE A 34 -2.280 19.691 -27.402 1.00 55.03 C ATOM 475 O PHE A 34 -2.044 19.898 -28.581 1.00 11.13 O ATOM 476 CB PHE A 34 -4.248 18.242 -26.775 1.00 30.04 C ATOM 477 CG PHE A 34 -5.002 18.458 -28.073 1.00 64.52 C ATOM 478 CD1 PHE A 34 -5.121 17.410 -29.006 1.00 60.11 C ATOM 479 CD2 PHE A 34 -5.600 19.701 -28.373 1.00 21.22 C ATOM 480 CE1 PHE A 34 -5.843 17.594 -30.230 1.00 73.12 C ATOM 481 CE2 PHE A 34 -6.339 19.881 -29.598 1.00 50.22 C ATOM 482 CZ PHE A 34 -6.452 18.817 -30.513 1.00 74.32 C ATOM 0 H PHE A 34 -2.746 17.659 -24.922 1.00 43.03 H new ATOM 0 HA PHE A 34 -2.408 17.590 -27.696 1.00 14.13 H new ATOM 0 HB2 PHE A 34 -4.525 17.273 -26.361 1.00 30.04 H new ATOM 0 HB3 PHE A 34 -4.559 18.998 -26.054 1.00 30.04 H new ATOM 0 HD1 PHE A 34 -4.662 16.455 -28.796 1.00 60.11 H new ATOM 0 HD2 PHE A 34 -5.503 20.523 -27.680 1.00 21.22 H new ATOM 0 HE1 PHE A 34 -5.916 16.781 -30.938 1.00 73.12 H new ATOM 0 HE2 PHE A 34 -6.805 20.831 -29.813 1.00 50.22 H new ATOM 0 HZ PHE A 34 -7.008 18.947 -31.430 1.00 74.32 H new ATOM 492 N HIS A 35 -2.161 20.649 -26.493 1.00 72.32 N ATOM 493 CA HIS A 35 -1.779 22.013 -26.869 1.00 60.42 C ATOM 494 C HIS A 35 -0.271 22.174 -27.104 1.00 14.40 C ATOM 495 O HIS A 35 0.155 23.114 -27.766 1.00 24.43 O ATOM 496 CB HIS A 35 -2.245 23.010 -25.808 1.00 61.03 C ATOM 497 CG HIS A 35 -1.807 22.658 -24.424 1.00 23.14 C ATOM 498 ND1 HIS A 35 -2.637 22.134 -23.459 1.00 51.42 N ATOM 499 CD2 HIS A 35 -0.589 22.770 -23.819 1.00 43.25 C ATOM 500 CE1 HIS A 35 -1.910 21.972 -22.345 1.00 3.44 C ATOM 501 NE2 HIS A 35 -0.658 22.340 -22.519 1.00 1.00 N ATOM 0 H HIS A 35 -2.321 20.514 -25.495 1.00 72.32 H new ATOM 0 HA HIS A 35 -2.275 22.219 -27.817 1.00 60.42 H new ATOM 0 HB2 HIS A 35 -1.865 24.000 -26.060 1.00 61.03 H new ATOM 0 HB3 HIS A 35 -3.333 23.071 -25.831 1.00 61.03 H new ATOM 0 HD2 HIS A 35 0.304 23.145 -24.297 1.00 43.25 H new ATOM 0 HE1 HIS A 35 -2.304 21.586 -21.416 1.00 3.44 H new ATOM 0 HE2 HIS A 35 0.098 22.311 -21.834 1.00 1.00 H new ATOM 509 N ASP A 36 0.536 21.265 -26.569 1.00 52.32 N ATOM 510 CA ASP A 36 1.998 21.341 -26.722 1.00 24.12 C ATOM 511 C ASP A 36 2.323 20.887 -28.139 1.00 32.14 C ATOM 512 O ASP A 36 3.174 21.433 -28.822 1.00 53.33 O ATOM 513 CB ASP A 36 2.684 20.423 -25.714 1.00 23.42 C ATOM 514 CG ASP A 36 4.196 20.640 -25.635 1.00 23.12 C ATOM 515 OD1 ASP A 36 4.604 21.800 -25.413 1.00 11.32 O ATOM 516 OD2 ASP A 36 4.961 19.649 -25.685 1.00 74.40 O ATOM 0 H ASP A 36 0.211 20.466 -26.025 1.00 52.32 H new ATOM 0 HA ASP A 36 2.351 22.357 -26.545 1.00 24.12 H new ATOM 0 HB2 ASP A 36 2.248 20.586 -24.728 1.00 23.42 H new ATOM 0 HB3 ASP A 36 2.486 19.386 -25.983 1.00 23.42 H new ATOM 521 N LEU A 37 1.534 19.922 -28.590 1.00 62.51 N ATOM 522 CA LEU A 37 1.623 19.381 -29.940 1.00 72.41 C ATOM 523 C LEU A 37 0.946 20.296 -30.977 1.00 44.23 C ATOM 524 O LEU A 37 0.670 19.877 -32.094 1.00 53.20 O ATOM 525 CB LEU A 37 0.960 17.998 -29.945 1.00 3.52 C ATOM 526 CG LEU A 37 1.603 16.932 -29.052 1.00 62.30 C ATOM 527 CD1 LEU A 37 0.658 15.746 -28.899 1.00 15.42 C ATOM 528 CD2 LEU A 37 2.923 16.430 -29.588 1.00 22.14 C ATOM 0 H LEU A 37 0.806 19.488 -28.023 1.00 62.51 H new ATOM 0 HA LEU A 37 2.674 19.309 -30.221 1.00 72.41 H new ATOM 0 HB2 LEU A 37 -0.080 18.116 -29.641 1.00 3.52 H new ATOM 0 HB3 LEU A 37 0.952 17.626 -30.970 1.00 3.52 H new ATOM 0 HG LEU A 37 1.793 17.408 -28.090 1.00 62.30 H new ATOM 0 HD11 LEU A 37 1.121 14.992 -28.263 1.00 15.42 H new ATOM 0 HD12 LEU A 37 -0.275 16.080 -28.445 1.00 15.42 H new ATOM 0 HD13 LEU A 37 0.451 15.317 -29.879 1.00 15.42 H new ATOM 0 HD21 LEU A 37 3.328 15.677 -28.911 1.00 22.14 H new ATOM 0 HD22 LEU A 37 2.771 15.988 -30.573 1.00 22.14 H new ATOM 0 HD23 LEU A 37 3.623 17.261 -29.667 1.00 22.14 H new ATOM 540 N GLY A 38 0.672 21.541 -30.609 1.00 13.33 N ATOM 541 CA GLY A 38 0.113 22.502 -31.544 1.00 24.55 C ATOM 542 C GLY A 38 -1.404 22.575 -31.585 1.00 72.32 C ATOM 543 O GLY A 38 -1.994 23.177 -32.489 1.00 12.33 O ATOM 0 H GLY A 38 0.829 21.906 -29.670 1.00 13.33 H new ATOM 0 HA2 GLY A 38 0.499 23.490 -31.295 1.00 24.55 H new ATOM 0 HA3 GLY A 38 0.474 22.261 -32.544 1.00 24.55 H new ATOM 547 N GLY A 39 -2.058 21.967 -30.614 1.00 13.11 N ATOM 548 CA GLY A 39 -3.509 21.949 -30.579 1.00 41.14 C ATOM 549 C GLY A 39 -4.146 23.248 -30.145 1.00 65.21 C ATOM 550 O GLY A 39 -3.512 24.132 -29.570 1.00 72.30 O ATOM 0 H GLY A 39 -1.609 21.479 -29.839 1.00 13.11 H new ATOM 0 HA2 GLY A 39 -3.880 21.692 -31.571 1.00 41.14 H new ATOM 0 HA3 GLY A 39 -3.833 21.158 -29.903 1.00 41.14 H new ATOM 554 N SER A 40 -5.447 23.355 -30.391 1.00 4.45 N ATOM 555 CA SER A 40 -6.233 24.532 -30.018 1.00 21.52 C ATOM 556 C SER A 40 -7.673 24.091 -29.738 1.00 31.32 C ATOM 557 O SER A 40 -8.066 22.993 -30.118 1.00 50.31 O ATOM 558 CB SER A 40 -6.248 25.542 -31.169 1.00 35.52 C ATOM 559 OG SER A 40 -6.844 24.977 -32.322 1.00 10.53 O ATOM 0 H SER A 40 -5.990 22.628 -30.856 1.00 4.45 H new ATOM 0 HA SER A 40 -5.791 24.995 -29.136 1.00 21.52 H new ATOM 0 HB2 SER A 40 -6.798 26.434 -30.869 1.00 35.52 H new ATOM 0 HB3 SER A 40 -5.230 25.857 -31.397 1.00 35.52 H new ATOM 0 HG SER A 40 -6.846 25.637 -33.046 1.00 10.53 H new ATOM 565 N SER A 41 -8.470 24.953 -29.112 1.00 11.00 N ATOM 566 CA SER A 41 -9.878 24.654 -28.824 1.00 30.21 C ATOM 567 C SER A 41 -10.645 24.354 -30.103 1.00 4.25 C ATOM 568 O SER A 41 -11.524 23.509 -30.138 1.00 63.43 O ATOM 569 CB SER A 41 -10.514 25.864 -28.128 1.00 73.23 C ATOM 570 OG SER A 41 -9.624 26.400 -27.161 1.00 32.32 O ATOM 0 H SER A 41 -8.166 25.872 -28.791 1.00 11.00 H new ATOM 0 HA SER A 41 -9.923 23.776 -28.180 1.00 30.21 H new ATOM 0 HB2 SER A 41 -10.763 26.627 -28.866 1.00 73.23 H new ATOM 0 HB3 SER A 41 -11.447 25.568 -27.649 1.00 73.23 H new ATOM 0 HG SER A 41 -10.041 27.172 -26.725 1.00 32.32 H new ATOM 576 N ALA A 42 -10.277 25.035 -31.180 1.00 53.02 N ATOM 577 CA ALA A 42 -10.907 24.822 -32.479 1.00 53.51 C ATOM 578 C ALA A 42 -10.568 23.448 -33.041 1.00 4.41 C ATOM 579 O ALA A 42 -11.423 22.739 -33.578 1.00 22.11 O ATOM 580 CB ALA A 42 -10.456 25.917 -33.452 1.00 34.32 C ATOM 0 H ALA A 42 -9.542 25.743 -31.181 1.00 53.02 H new ATOM 0 HA ALA A 42 -11.988 24.870 -32.349 1.00 53.51 H new ATOM 0 HB1 ALA A 42 -10.927 25.758 -34.422 1.00 34.32 H new ATOM 0 HB2 ALA A 42 -10.748 26.892 -33.063 1.00 34.32 H new ATOM 0 HB3 ALA A 42 -9.372 25.880 -33.564 1.00 34.32 H new ATOM 586 N LEU A 43 -9.304 23.082 -32.934 1.00 3.32 N ATOM 587 CA LEU A 43 -8.833 21.798 -33.445 1.00 32.54 C ATOM 588 C LEU A 43 -9.466 20.662 -32.639 1.00 3.00 C ATOM 589 O LEU A 43 -9.834 19.617 -33.190 1.00 41.01 O ATOM 590 CB LEU A 43 -7.322 21.744 -33.339 1.00 4.32 C ATOM 591 CG LEU A 43 -6.642 20.598 -34.083 1.00 51.02 C ATOM 592 CD1 LEU A 43 -6.723 20.796 -35.593 1.00 70.13 C ATOM 593 CD2 LEU A 43 -5.200 20.466 -33.683 1.00 11.21 C ATOM 0 H LEU A 43 -8.580 23.653 -32.498 1.00 3.32 H new ATOM 0 HA LEU A 43 -9.121 21.686 -34.490 1.00 32.54 H new ATOM 0 HB2 LEU A 43 -6.917 22.685 -33.712 1.00 4.32 H new ATOM 0 HB3 LEU A 43 -7.053 21.677 -32.285 1.00 4.32 H new ATOM 0 HG LEU A 43 -7.173 19.686 -33.811 1.00 51.02 H new ATOM 0 HD11 LEU A 43 -6.230 19.964 -36.096 1.00 70.13 H new ATOM 0 HD12 LEU A 43 -7.768 20.837 -35.899 1.00 70.13 H new ATOM 0 HD13 LEU A 43 -6.228 21.729 -35.865 1.00 70.13 H new ATOM 0 HD21 LEU A 43 -4.745 19.641 -34.231 1.00 11.21 H new ATOM 0 HD22 LEU A 43 -4.672 21.391 -33.915 1.00 11.21 H new ATOM 0 HD23 LEU A 43 -5.136 20.270 -32.613 1.00 11.21 H new ATOM 605 N ALA A 44 -9.623 20.898 -31.345 1.00 4.33 N ATOM 606 CA ALA A 44 -10.217 19.918 -30.438 1.00 61.24 C ATOM 607 C ALA A 44 -11.631 19.493 -30.874 1.00 30.34 C ATOM 608 O ALA A 44 -12.043 18.373 -30.651 1.00 52.35 O ATOM 609 CB ALA A 44 -10.252 20.483 -29.010 1.00 20.41 C ATOM 0 H ALA A 44 -9.345 21.769 -30.892 1.00 4.33 H new ATOM 0 HA ALA A 44 -9.591 19.026 -30.468 1.00 61.24 H new ATOM 0 HB1 ALA A 44 -10.696 19.748 -28.339 1.00 20.41 H new ATOM 0 HB2 ALA A 44 -9.237 20.707 -28.682 1.00 20.41 H new ATOM 0 HB3 ALA A 44 -10.848 21.395 -28.994 1.00 20.41 H new ATOM 615 N MET A 45 -12.348 20.382 -31.542 1.00 74.14 N ATOM 616 CA MET A 45 -13.686 20.061 -32.017 1.00 75.44 C ATOM 617 C MET A 45 -13.652 18.855 -32.973 1.00 4.54 C ATOM 618 O MET A 45 -14.572 18.033 -32.982 1.00 11.13 O ATOM 619 CB MET A 45 -14.331 21.224 -32.735 1.00 62.13 C ATOM 620 CG MET A 45 -14.520 22.461 -31.859 1.00 52.25 C ATOM 621 SD MET A 45 -15.347 23.766 -32.790 1.00 32.52 S ATOM 622 CE MET A 45 -17.094 23.226 -32.854 1.00 24.23 C ATOM 0 H MET A 45 -12.030 21.325 -31.767 1.00 74.14 H new ATOM 0 HA MET A 45 -14.277 19.824 -31.133 1.00 75.44 H new ATOM 0 HB2 MET A 45 -13.720 21.491 -33.597 1.00 62.13 H new ATOM 0 HB3 MET A 45 -15.302 20.909 -33.118 1.00 62.13 H new ATOM 0 HG2 MET A 45 -15.108 22.205 -30.978 1.00 52.25 H new ATOM 0 HG3 MET A 45 -13.552 22.815 -31.504 1.00 52.25 H new ATOM 0 HE1 MET A 45 -17.691 23.986 -33.358 1.00 24.23 H new ATOM 0 HE2 MET A 45 -17.165 22.286 -33.402 1.00 24.23 H new ATOM 0 HE3 MET A 45 -17.468 23.084 -31.840 1.00 24.23 H new ATOM 632 N ARG A 46 -12.598 18.745 -33.766 1.00 42.42 N ATOM 633 CA ARG A 46 -12.476 17.616 -34.717 1.00 14.25 C ATOM 634 C ARG A 46 -12.115 16.350 -33.976 1.00 73.45 C ATOM 635 O ARG A 46 -12.541 15.261 -34.336 1.00 41.33 O ATOM 636 CB ARG A 46 -11.430 17.908 -35.783 1.00 41.03 C ATOM 637 CG ARG A 46 -11.794 19.101 -36.652 1.00 23.33 C ATOM 638 CD ARG A 46 -10.754 20.164 -36.499 1.00 15.45 C ATOM 639 NE ARG A 46 -9.611 19.953 -37.416 1.00 22.22 N ATOM 640 CZ ARG A 46 -9.424 20.545 -38.602 1.00 13.23 C ATOM 641 NH1 ARG A 46 -10.301 21.418 -39.060 1.00 64.54 N ATOM 642 NH2 ARG A 46 -8.333 20.273 -39.334 1.00 4.15 N ATOM 0 H ARG A 46 -11.819 19.404 -33.782 1.00 42.42 H new ATOM 0 HA ARG A 46 -13.439 17.484 -35.210 1.00 14.25 H new ATOM 0 HB2 ARG A 46 -10.470 18.094 -35.302 1.00 41.03 H new ATOM 0 HB3 ARG A 46 -11.306 17.028 -36.415 1.00 41.03 H new ATOM 0 HG2 ARG A 46 -11.867 18.796 -37.696 1.00 23.33 H new ATOM 0 HG3 ARG A 46 -12.771 19.489 -36.365 1.00 23.33 H new ATOM 0 HD2 ARG A 46 -11.200 21.139 -36.693 1.00 15.45 H new ATOM 0 HD3 ARG A 46 -10.396 20.177 -35.469 1.00 15.45 H new ATOM 0 HE ARG A 46 -8.896 19.291 -37.114 1.00 22.22 H new ATOM 0 HH11 ARG A 46 -11.129 21.646 -38.509 1.00 64.54 H new ATOM 0 HH12 ARG A 46 -10.151 21.865 -39.965 1.00 64.54 H new ATOM 0 HH21 ARG A 46 -7.639 19.611 -38.988 1.00 4.15 H new ATOM 0 HH22 ARG A 46 -8.198 20.728 -40.237 1.00 4.15 H new ATOM 656 N LEU A 47 -11.323 16.488 -32.927 1.00 12.51 N ATOM 657 CA LEU A 47 -10.898 15.340 -32.123 1.00 53.14 C ATOM 658 C LEU A 47 -12.148 14.739 -31.475 1.00 52.31 C ATOM 659 O LEU A 47 -12.334 13.541 -31.476 1.00 74.11 O ATOM 660 CB LEU A 47 -9.885 15.741 -31.068 1.00 44.55 C ATOM 661 CG LEU A 47 -9.424 14.660 -30.082 1.00 42.14 C ATOM 662 CD1 LEU A 47 -8.704 13.527 -30.760 1.00 14.32 C ATOM 663 CD2 LEU A 47 -8.514 15.285 -29.065 1.00 4.14 C ATOM 0 H LEU A 47 -10.957 17.384 -32.606 1.00 12.51 H new ATOM 0 HA LEU A 47 -10.407 14.606 -32.761 1.00 53.14 H new ATOM 0 HB2 LEU A 47 -9.003 16.129 -31.578 1.00 44.55 H new ATOM 0 HB3 LEU A 47 -10.307 16.564 -30.492 1.00 44.55 H new ATOM 0 HG LEU A 47 -10.314 14.243 -29.610 1.00 42.14 H new ATOM 0 HD11 LEU A 47 -8.400 12.791 -30.015 1.00 14.32 H new ATOM 0 HD12 LEU A 47 -9.368 13.056 -31.485 1.00 14.32 H new ATOM 0 HD13 LEU A 47 -7.821 13.911 -31.271 1.00 14.32 H new ATOM 0 HD21 LEU A 47 -8.181 14.524 -28.359 1.00 4.14 H new ATOM 0 HD22 LEU A 47 -7.649 15.718 -29.568 1.00 4.14 H new ATOM 0 HD23 LEU A 47 -9.051 16.068 -28.529 1.00 4.14 H new ATOM 675 N ILE A 48 -13.002 15.588 -30.919 1.00 71.42 N ATOM 676 CA ILE A 48 -14.232 15.128 -30.275 1.00 50.23 C ATOM 677 C ILE A 48 -15.106 14.416 -31.296 1.00 43.15 C ATOM 678 O ILE A 48 -15.702 13.381 -30.999 1.00 23.12 O ATOM 679 CB ILE A 48 -15.004 16.332 -29.660 1.00 23.53 C ATOM 680 CG1 ILE A 48 -14.199 16.928 -28.488 1.00 13.23 C ATOM 681 CG2 ILE A 48 -16.401 15.902 -29.127 1.00 45.52 C ATOM 682 CD1 ILE A 48 -14.601 18.365 -28.129 1.00 75.12 C ATOM 0 H ILE A 48 -12.869 16.599 -30.899 1.00 71.42 H new ATOM 0 HA ILE A 48 -13.975 14.435 -29.474 1.00 50.23 H new ATOM 0 HB ILE A 48 -15.138 17.072 -30.449 1.00 23.53 H new ATOM 0 HG12 ILE A 48 -14.329 16.294 -27.611 1.00 13.23 H new ATOM 0 HG13 ILE A 48 -13.139 16.909 -28.741 1.00 13.23 H new ATOM 0 HG21 ILE A 48 -16.912 16.768 -28.705 1.00 45.52 H new ATOM 0 HG22 ILE A 48 -16.994 15.495 -29.946 1.00 45.52 H new ATOM 0 HG23 ILE A 48 -16.278 15.142 -28.356 1.00 45.52 H new ATOM 0 HD11 ILE A 48 -13.992 18.716 -27.296 1.00 75.12 H new ATOM 0 HD12 ILE A 48 -14.445 19.013 -28.992 1.00 75.12 H new ATOM 0 HD13 ILE A 48 -15.653 18.388 -27.844 1.00 75.12 H new ATOM 694 N ALA A 49 -15.177 14.963 -32.498 1.00 43.14 N ATOM 695 CA ALA A 49 -15.946 14.345 -33.562 1.00 42.11 C ATOM 696 C ALA A 49 -15.367 12.975 -33.913 1.00 42.44 C ATOM 697 O ALA A 49 -16.100 12.013 -34.062 1.00 2.12 O ATOM 698 CB ALA A 49 -15.959 15.254 -34.803 1.00 32.54 C ATOM 0 H ALA A 49 -14.712 15.832 -32.760 1.00 43.14 H new ATOM 0 HA ALA A 49 -16.971 14.208 -33.217 1.00 42.11 H new ATOM 0 HB1 ALA A 49 -16.539 14.780 -35.595 1.00 32.54 H new ATOM 0 HB2 ALA A 49 -16.410 16.213 -34.547 1.00 32.54 H new ATOM 0 HB3 ALA A 49 -14.937 15.414 -35.147 1.00 32.54 H new ATOM 704 N ARG A 50 -14.049 12.886 -33.986 1.00 1.31 N ATOM 705 CA ARG A 50 -13.383 11.611 -34.308 1.00 55.52 C ATOM 706 C ARG A 50 -13.660 10.574 -33.232 1.00 44.11 C ATOM 707 O ARG A 50 -13.791 9.424 -33.487 1.00 74.12 O ATOM 708 CB ARG A 50 -11.864 11.872 -34.412 1.00 25.22 C ATOM 709 CG ARG A 50 -11.106 10.794 -35.178 1.00 44.13 C ATOM 710 CD ARG A 50 -11.447 10.836 -36.682 1.00 43.35 C ATOM 711 NE ARG A 50 -10.616 9.877 -37.406 1.00 30.45 N ATOM 712 CZ ARG A 50 -11.040 8.873 -38.163 1.00 72.24 C ATOM 713 NH1 ARG A 50 -12.303 8.658 -38.439 1.00 21.40 N ATOM 714 NH2 ARG A 50 -10.146 8.061 -38.646 1.00 13.22 N ATOM 0 H ARG A 50 -13.414 13.668 -33.830 1.00 1.31 H new ATOM 0 HA ARG A 50 -13.767 11.225 -35.252 1.00 55.52 H new ATOM 0 HB2 ARG A 50 -11.702 12.833 -34.900 1.00 25.22 H new ATOM 0 HB3 ARG A 50 -11.449 11.951 -33.407 1.00 25.22 H new ATOM 0 HG2 ARG A 50 -10.034 10.933 -35.041 1.00 44.13 H new ATOM 0 HG3 ARG A 50 -11.355 9.813 -34.773 1.00 44.13 H new ATOM 0 HD2 ARG A 50 -12.501 10.603 -36.832 1.00 43.35 H new ATOM 0 HD3 ARG A 50 -11.284 11.840 -37.073 1.00 43.35 H new ATOM 0 HE ARG A 50 -9.606 9.991 -37.321 1.00 30.45 H new ATOM 0 HH11 ARG A 50 -13.020 9.280 -38.065 1.00 21.40 H new ATOM 0 HH12 ARG A 50 -12.569 7.869 -39.028 1.00 21.40 H new ATOM 0 HH21 ARG A 50 -9.158 8.208 -38.438 1.00 13.22 H new ATOM 0 HH22 ARG A 50 -10.433 7.277 -39.232 1.00 13.22 H new ATOM 728 N ILE A 51 -13.688 11.024 -31.981 1.00 64.30 N ATOM 729 CA ILE A 51 -13.849 10.190 -30.884 1.00 63.34 C ATOM 730 C ILE A 51 -15.233 9.445 -30.960 1.00 31.40 C ATOM 731 O ILE A 51 -15.388 8.312 -30.579 1.00 41.03 O ATOM 732 CB ILE A 51 -13.719 10.908 -29.512 1.00 61.21 C ATOM 733 CG1 ILE A 51 -12.194 11.161 -29.202 1.00 24.33 C ATOM 734 CG2 ILE A 51 -14.303 10.086 -28.347 1.00 11.21 C ATOM 735 CD1 ILE A 51 -11.911 12.121 -28.014 1.00 71.32 C ATOM 0 H ILE A 51 -13.594 12.010 -31.738 1.00 64.30 H new ATOM 0 HA ILE A 51 -13.027 9.477 -30.937 1.00 63.34 H new ATOM 0 HB ILE A 51 -14.281 11.839 -29.590 1.00 61.21 H new ATOM 0 HG12 ILE A 51 -11.718 10.203 -28.995 1.00 24.33 H new ATOM 0 HG13 ILE A 51 -11.720 11.566 -30.096 1.00 24.33 H new ATOM 0 HG21 ILE A 51 -14.183 10.639 -27.415 1.00 11.21 H new ATOM 0 HG22 ILE A 51 -15.362 9.903 -28.526 1.00 11.21 H new ATOM 0 HG23 ILE A 51 -13.777 9.134 -28.274 1.00 11.21 H new ATOM 0 HD11 ILE A 51 -10.834 12.229 -27.882 1.00 71.32 H new ATOM 0 HD12 ILE A 51 -12.351 13.096 -28.222 1.00 71.32 H new ATOM 0 HD13 ILE A 51 -12.349 11.712 -27.103 1.00 71.32 H new ATOM 747 N ARG A 52 -16.224 10.130 -31.576 1.00 45.30 N ATOM 748 CA ARG A 52 -17.560 9.530 -31.708 1.00 30.24 C ATOM 749 C ARG A 52 -17.577 8.310 -32.594 1.00 23.33 C ATOM 750 O ARG A 52 -18.381 7.415 -32.432 1.00 5.42 O ATOM 751 CB ARG A 52 -18.569 10.519 -32.237 1.00 23.20 C ATOM 752 CG ARG A 52 -18.791 11.699 -31.335 1.00 34.12 C ATOM 753 CD ARG A 52 -19.381 12.858 -32.135 1.00 60.31 C ATOM 754 NE ARG A 52 -19.498 14.088 -31.320 1.00 11.13 N ATOM 755 CZ ARG A 52 -19.781 15.296 -31.782 1.00 25.43 C ATOM 756 NH1 ARG A 52 -19.940 15.542 -33.060 1.00 44.31 N ATOM 757 NH2 ARG A 52 -19.906 16.271 -30.934 1.00 35.55 N ATOM 0 H ARG A 52 -16.126 11.064 -31.974 1.00 45.30 H new ATOM 0 HA ARG A 52 -17.832 9.227 -30.697 1.00 30.24 H new ATOM 0 HB2 ARG A 52 -18.237 10.876 -33.212 1.00 23.20 H new ATOM 0 HB3 ARG A 52 -19.519 10.007 -32.391 1.00 23.20 H new ATOM 0 HG2 ARG A 52 -19.465 11.426 -30.523 1.00 34.12 H new ATOM 0 HG3 ARG A 52 -17.848 12.002 -30.879 1.00 34.12 H new ATOM 0 HD2 ARG A 52 -18.753 13.056 -33.004 1.00 60.31 H new ATOM 0 HD3 ARG A 52 -20.365 12.576 -32.511 1.00 60.31 H new ATOM 0 HE ARG A 52 -19.348 13.997 -30.315 1.00 11.13 H new ATOM 0 HH11 ARG A 52 -19.846 14.788 -33.740 1.00 44.31 H new ATOM 0 HH12 ARG A 52 -20.158 16.488 -33.374 1.00 44.31 H new ATOM 0 HH21 ARG A 52 -19.786 16.097 -29.936 1.00 35.55 H new ATOM 0 HH22 ARG A 52 -20.124 17.211 -31.266 1.00 35.55 H new ATOM 771 N GLU A 53 -16.674 8.271 -33.556 1.00 1.14 N ATOM 772 CA GLU A 53 -16.623 7.144 -34.504 1.00 20.43 C ATOM 773 C GLU A 53 -15.967 5.968 -33.819 1.00 40.22 C ATOM 774 O GLU A 53 -16.392 4.826 -33.967 1.00 53.34 O ATOM 775 CB GLU A 53 -15.718 7.477 -35.670 1.00 64.55 C ATOM 776 CG GLU A 53 -16.049 8.846 -36.328 1.00 75.33 C ATOM 777 CD GLU A 53 -17.406 8.821 -37.034 1.00 70.33 C ATOM 778 OE1 GLU A 53 -17.650 7.908 -37.856 1.00 4.41 O ATOM 779 OE2 GLU A 53 -18.151 9.815 -36.894 1.00 54.13 O ATOM 0 H GLU A 53 -15.969 8.991 -33.711 1.00 1.14 H new ATOM 0 HA GLU A 53 -17.640 6.934 -34.836 1.00 20.43 H new ATOM 0 HB2 GLU A 53 -14.683 7.486 -35.328 1.00 64.55 H new ATOM 0 HB3 GLU A 53 -15.799 6.691 -36.421 1.00 64.55 H new ATOM 0 HG2 GLU A 53 -16.050 9.625 -35.566 1.00 75.33 H new ATOM 0 HG3 GLU A 53 -15.270 9.103 -37.046 1.00 75.33 H new ATOM 786 N GLU A 54 -14.951 6.275 -33.009 1.00 2.03 N ATOM 787 CA GLU A 54 -14.086 5.230 -32.418 1.00 74.32 C ATOM 788 C GLU A 54 -14.536 4.714 -31.044 1.00 42.23 C ATOM 789 O GLU A 54 -14.441 3.506 -30.777 1.00 62.33 O ATOM 790 CB GLU A 54 -12.711 5.810 -32.262 1.00 33.11 C ATOM 791 CG GLU A 54 -11.991 5.958 -33.605 1.00 13.33 C ATOM 792 CD GLU A 54 -11.172 4.726 -33.948 1.00 12.15 C ATOM 793 OE1 GLU A 54 -10.208 4.419 -33.205 1.00 23.21 O ATOM 794 OE2 GLU A 54 -11.456 4.108 -34.992 1.00 51.31 O ATOM 0 H GLU A 54 -14.702 7.228 -32.744 1.00 2.03 H new ATOM 0 HA GLU A 54 -14.130 4.376 -33.094 1.00 74.32 H new ATOM 0 HB2 GLU A 54 -12.782 6.785 -31.780 1.00 33.11 H new ATOM 0 HB3 GLU A 54 -12.122 5.172 -31.604 1.00 33.11 H new ATOM 0 HG2 GLU A 54 -12.724 6.137 -34.392 1.00 13.33 H new ATOM 0 HG3 GLU A 54 -11.338 6.830 -33.573 1.00 13.33 H new ATOM 801 N LEU A 55 -14.990 5.592 -30.135 1.00 34.30 N ATOM 802 CA LEU A 55 -15.441 5.148 -28.792 1.00 72.33 C ATOM 803 C LEU A 55 -16.971 5.143 -28.743 1.00 22.43 C ATOM 804 O LEU A 55 -17.569 4.751 -27.750 1.00 40.11 O ATOM 805 CB LEU A 55 -14.871 6.074 -27.716 1.00 51.24 C ATOM 806 CG LEU A 55 -13.337 6.221 -27.633 1.00 24.35 C ATOM 807 CD1 LEU A 55 -12.977 7.124 -26.432 1.00 73.44 C ATOM 808 CD2 LEU A 55 -12.579 4.915 -27.473 1.00 4.52 C ATOM 0 H LEU A 55 -15.057 6.597 -30.294 1.00 34.30 H new ATOM 0 HA LEU A 55 -15.079 4.138 -28.602 1.00 72.33 H new ATOM 0 HB2 LEU A 55 -15.295 7.066 -27.869 1.00 51.24 H new ATOM 0 HB3 LEU A 55 -15.227 5.721 -26.748 1.00 51.24 H new ATOM 0 HG LEU A 55 -13.035 6.649 -28.589 1.00 24.35 H new ATOM 0 HD11 LEU A 55 -11.894 7.231 -26.369 1.00 73.44 H new ATOM 0 HD12 LEU A 55 -13.431 8.106 -26.566 1.00 73.44 H new ATOM 0 HD13 LEU A 55 -13.351 6.673 -25.513 1.00 73.44 H new ATOM 0 HD21 LEU A 55 -11.509 5.119 -27.424 1.00 4.52 H new ATOM 0 HD22 LEU A 55 -12.897 4.420 -26.555 1.00 4.52 H new ATOM 0 HD23 LEU A 55 -12.786 4.267 -28.325 1.00 4.52 H new ATOM 820 N GLY A 56 -17.577 5.578 -29.850 1.00 11.32 N ATOM 821 CA GLY A 56 -19.026 5.571 -29.958 1.00 22.12 C ATOM 822 C GLY A 56 -19.779 6.541 -29.073 1.00 55.44 C ATOM 823 O GLY A 56 -20.986 6.382 -28.855 1.00 21.51 O ATOM 0 H GLY A 56 -17.089 5.934 -30.672 1.00 11.32 H new ATOM 0 HA2 GLY A 56 -19.291 5.780 -30.994 1.00 22.12 H new ATOM 0 HA3 GLY A 56 -19.379 4.564 -29.736 1.00 22.12 H new ATOM 827 N VAL A 57 -19.084 7.537 -28.541 1.00 40.21 N ATOM 828 CA VAL A 57 -19.675 8.464 -27.576 1.00 74.33 C ATOM 829 C VAL A 57 -19.215 9.888 -27.838 1.00 62.10 C ATOM 830 O VAL A 57 -18.151 10.121 -28.424 1.00 35.43 O ATOM 831 CB VAL A 57 -19.292 8.094 -26.093 1.00 14.30 C ATOM 832 CG1 VAL A 57 -19.938 6.765 -25.680 1.00 35.13 C ATOM 833 CG2 VAL A 57 -17.763 8.017 -25.904 1.00 54.31 C ATOM 0 H VAL A 57 -18.106 7.727 -28.760 1.00 40.21 H new ATOM 0 HA VAL A 57 -20.755 8.386 -27.700 1.00 74.33 H new ATOM 0 HB VAL A 57 -19.674 8.889 -25.452 1.00 14.30 H new ATOM 0 HG11 VAL A 57 -19.660 6.529 -24.653 1.00 35.13 H new ATOM 0 HG12 VAL A 57 -21.022 6.850 -25.752 1.00 35.13 H new ATOM 0 HG13 VAL A 57 -19.591 5.971 -26.341 1.00 35.13 H new ATOM 0 HG21 VAL A 57 -17.537 7.760 -24.869 1.00 54.31 H new ATOM 0 HG22 VAL A 57 -17.353 7.254 -26.566 1.00 54.31 H new ATOM 0 HG23 VAL A 57 -17.318 8.983 -26.143 1.00 54.31 H new ATOM 843 N ASP A 58 -20.004 10.841 -27.387 1.00 32.41 N ATOM 844 CA ASP A 58 -19.649 12.245 -27.535 1.00 22.35 C ATOM 845 C ASP A 58 -18.771 12.673 -26.364 1.00 54.02 C ATOM 846 O ASP A 58 -19.232 12.754 -25.240 1.00 42.21 O ATOM 847 CB ASP A 58 -20.894 13.119 -27.608 1.00 3.14 C ATOM 848 CG ASP A 58 -20.571 14.534 -28.016 1.00 62.03 C ATOM 849 OD1 ASP A 58 -19.464 14.744 -28.545 1.00 13.34 O ATOM 850 OD2 ASP A 58 -21.427 15.419 -27.874 1.00 23.23 O ATOM 0 H ASP A 58 -20.893 10.674 -26.916 1.00 32.41 H new ATOM 0 HA ASP A 58 -19.098 12.370 -28.467 1.00 22.35 H new ATOM 0 HB2 ASP A 58 -21.597 12.688 -28.321 1.00 3.14 H new ATOM 0 HB3 ASP A 58 -21.389 13.126 -26.637 1.00 3.14 H new ATOM 855 N LEU A 59 -17.498 12.933 -26.638 1.00 44.45 N ATOM 856 CA LEU A 59 -16.537 13.266 -25.588 1.00 33.33 C ATOM 857 C LEU A 59 -16.880 14.612 -24.915 1.00 65.21 C ATOM 858 O LEU A 59 -16.916 15.666 -25.568 1.00 41.22 O ATOM 859 CB LEU A 59 -15.111 13.290 -26.139 1.00 15.33 C ATOM 860 CG LEU A 59 -13.921 13.120 -25.161 1.00 71.40 C ATOM 861 CD1 LEU A 59 -13.758 14.237 -24.133 1.00 11.33 C ATOM 862 CD2 LEU A 59 -14.014 11.778 -24.445 1.00 52.21 C ATOM 0 H LEU A 59 -17.105 12.920 -27.579 1.00 44.45 H new ATOM 0 HA LEU A 59 -16.600 12.486 -24.829 1.00 33.33 H new ATOM 0 HB2 LEU A 59 -15.035 12.502 -26.888 1.00 15.33 H new ATOM 0 HB3 LEU A 59 -14.976 14.238 -26.659 1.00 15.33 H new ATOM 0 HG LEU A 59 -13.033 13.168 -25.791 1.00 71.40 H new ATOM 0 HD11 LEU A 59 -12.899 14.024 -23.497 1.00 11.33 H new ATOM 0 HD12 LEU A 59 -13.603 15.185 -24.648 1.00 11.33 H new ATOM 0 HD13 LEU A 59 -14.656 14.300 -23.519 1.00 11.33 H new ATOM 0 HD21 LEU A 59 -13.172 11.671 -23.761 1.00 52.21 H new ATOM 0 HD22 LEU A 59 -14.947 11.729 -23.883 1.00 52.21 H new ATOM 0 HD23 LEU A 59 -13.990 10.972 -25.178 1.00 52.21 H new ATOM 874 N PRO A 60 -17.128 14.599 -23.592 1.00 32.22 N ATOM 875 CA PRO A 60 -17.403 15.862 -22.898 1.00 23.41 C ATOM 876 C PRO A 60 -16.221 16.831 -22.943 1.00 23.42 C ATOM 877 O PRO A 60 -15.171 16.562 -22.368 1.00 2.43 O ATOM 878 CB PRO A 60 -17.677 15.417 -21.439 1.00 71.55 C ATOM 879 CG PRO A 60 -17.968 13.964 -21.529 1.00 0.53 C ATOM 880 CD PRO A 60 -17.141 13.462 -22.665 1.00 20.34 C ATOM 0 HA PRO A 60 -18.228 16.404 -23.360 1.00 23.41 H new ATOM 0 HB2 PRO A 60 -16.815 15.608 -20.800 1.00 71.55 H new ATOM 0 HB3 PRO A 60 -18.518 15.962 -21.011 1.00 71.55 H new ATOM 0 HG2 PRO A 60 -17.711 13.454 -20.601 1.00 0.53 H new ATOM 0 HG3 PRO A 60 -19.029 13.786 -21.707 1.00 0.53 H new ATOM 0 HD2 PRO A 60 -16.135 13.192 -22.343 1.00 20.34 H new ATOM 0 HD3 PRO A 60 -17.579 12.574 -23.121 1.00 20.34 H new ATOM 888 N ILE A 61 -16.399 17.975 -23.581 1.00 43.04 N ATOM 889 CA ILE A 61 -15.314 18.960 -23.753 1.00 41.03 C ATOM 890 C ILE A 61 -14.691 19.408 -22.404 1.00 50.35 C ATOM 891 O ILE A 61 -13.505 19.709 -22.316 1.00 12.05 O ATOM 892 CB ILE A 61 -15.792 20.156 -24.620 1.00 11.30 C ATOM 893 CG1 ILE A 61 -14.571 20.900 -25.198 1.00 51.15 C ATOM 894 CG2 ILE A 61 -16.714 21.104 -23.803 1.00 71.34 C ATOM 895 CD1 ILE A 61 -14.894 21.885 -26.326 1.00 23.03 C ATOM 0 H ILE A 61 -17.287 18.257 -23.996 1.00 43.04 H new ATOM 0 HA ILE A 61 -14.505 18.467 -24.292 1.00 41.03 H new ATOM 0 HB ILE A 61 -16.386 19.778 -25.452 1.00 11.30 H new ATOM 0 HG12 ILE A 61 -14.078 21.442 -24.391 1.00 51.15 H new ATOM 0 HG13 ILE A 61 -13.858 20.165 -25.570 1.00 51.15 H new ATOM 0 HG21 ILE A 61 -17.034 21.933 -24.434 1.00 71.34 H new ATOM 0 HG22 ILE A 61 -17.588 20.552 -23.457 1.00 71.34 H new ATOM 0 HG23 ILE A 61 -16.167 21.492 -22.944 1.00 71.34 H new ATOM 0 HD11 ILE A 61 -13.975 22.360 -26.669 1.00 23.03 H new ATOM 0 HD12 ILE A 61 -15.357 21.350 -27.155 1.00 23.03 H new ATOM 0 HD13 ILE A 61 -15.581 22.647 -25.958 1.00 23.03 H new ATOM 907 N ARG A 62 -15.480 19.318 -21.339 1.00 1.30 N ATOM 908 CA ARG A 62 -14.979 19.558 -19.987 1.00 40.32 C ATOM 909 C ARG A 62 -13.875 18.595 -19.582 1.00 4.31 C ATOM 910 O ARG A 62 -12.879 18.999 -18.980 1.00 2.51 O ATOM 911 CB ARG A 62 -16.106 19.492 -18.960 1.00 30.14 C ATOM 912 CG ARG A 62 -17.081 20.627 -19.097 1.00 42.32 C ATOM 913 CD ARG A 62 -18.008 20.687 -17.882 1.00 74.43 C ATOM 914 NE ARG A 62 -19.041 21.739 -18.008 1.00 61.21 N ATOM 915 CZ ARG A 62 -19.985 22.003 -17.120 1.00 12.34 C ATOM 916 NH1 ARG A 62 -20.100 21.331 -16.014 1.00 3.55 N ATOM 917 NH2 ARG A 62 -20.811 22.981 -17.334 1.00 0.43 N ATOM 0 H ARG A 62 -16.471 19.080 -21.384 1.00 1.30 H new ATOM 0 HA ARG A 62 -14.555 20.562 -20.004 1.00 40.32 H new ATOM 0 HB2 ARG A 62 -16.637 18.547 -19.070 1.00 30.14 H new ATOM 0 HB3 ARG A 62 -15.679 19.504 -17.957 1.00 30.14 H new ATOM 0 HG2 ARG A 62 -16.541 21.568 -19.196 1.00 42.32 H new ATOM 0 HG3 ARG A 62 -17.670 20.500 -20.005 1.00 42.32 H new ATOM 0 HD2 ARG A 62 -18.493 19.720 -17.751 1.00 74.43 H new ATOM 0 HD3 ARG A 62 -17.415 20.870 -16.986 1.00 74.43 H new ATOM 0 HE ARG A 62 -19.024 22.310 -18.853 1.00 61.21 H new ATOM 0 HH11 ARG A 62 -19.450 20.572 -15.808 1.00 3.55 H new ATOM 0 HH12 ARG A 62 -20.840 21.562 -15.352 1.00 3.55 H new ATOM 0 HH21 ARG A 62 -20.730 23.541 -18.183 1.00 0.43 H new ATOM 0 HH22 ARG A 62 -21.541 23.190 -16.653 1.00 0.43 H new ATOM 931 N GLN A 63 -14.040 17.323 -19.907 1.00 13.25 N ATOM 932 CA GLN A 63 -13.070 16.296 -19.538 1.00 21.03 C ATOM 933 C GLN A 63 -11.799 16.522 -20.332 1.00 22.33 C ATOM 934 O GLN A 63 -10.708 16.388 -19.801 1.00 2.02 O ATOM 935 CB GLN A 63 -13.630 14.890 -19.810 1.00 33.35 C ATOM 936 CG GLN A 63 -14.573 14.322 -18.721 1.00 60.30 C ATOM 937 CD GLN A 63 -15.240 15.383 -17.837 1.00 71.13 C ATOM 938 OE1 GLN A 63 -16.435 15.809 -18.212 1.00 13.22 O flip ATOM 939 NE2 GLN A 63 -14.699 15.787 -16.800 1.00 72.45 N flip ATOM 0 H GLN A 63 -14.842 16.972 -20.430 1.00 13.25 H new ATOM 0 HA GLN A 63 -12.858 16.365 -18.471 1.00 21.03 H new ATOM 0 HB2 GLN A 63 -14.169 14.910 -20.757 1.00 33.35 H new ATOM 0 HB3 GLN A 63 -12.793 14.203 -19.934 1.00 33.35 H new ATOM 0 HG2 GLN A 63 -15.350 13.730 -19.205 1.00 60.30 H new ATOM 0 HG3 GLN A 63 -14.005 13.643 -18.085 1.00 60.30 H new ATOM 0 HE21 GLN A 63 -13.777 15.440 -16.537 1.00 72.45 H new ATOM 0 HE22 GLN A 63 -15.175 16.467 -16.208 1.00 72.45 H new ATOM 948 N LEU A 64 -11.954 16.897 -21.594 1.00 4.34 N ATOM 949 CA LEU A 64 -10.798 17.150 -22.456 1.00 61.43 C ATOM 950 C LEU A 64 -9.966 18.327 -21.935 1.00 20.44 C ATOM 951 O LEU A 64 -8.757 18.254 -21.875 1.00 42.41 O ATOM 952 CB LEU A 64 -11.279 17.428 -23.881 1.00 22.15 C ATOM 953 CG LEU A 64 -10.635 16.562 -24.980 1.00 33.45 C ATOM 954 CD1 LEU A 64 -11.370 16.809 -26.305 1.00 24.40 C ATOM 955 CD2 LEU A 64 -9.136 16.872 -25.168 1.00 11.44 C ATOM 0 H LEU A 64 -12.859 17.033 -22.045 1.00 4.34 H new ATOM 0 HA LEU A 64 -10.160 16.266 -22.453 1.00 61.43 H new ATOM 0 HB2 LEU A 64 -12.359 17.284 -23.916 1.00 22.15 H new ATOM 0 HB3 LEU A 64 -11.090 18.476 -24.112 1.00 22.15 H new ATOM 0 HG LEU A 64 -10.720 15.519 -24.674 1.00 33.45 H new ATOM 0 HD11 LEU A 64 -10.921 16.200 -27.089 1.00 24.40 H new ATOM 0 HD12 LEU A 64 -12.421 16.540 -26.194 1.00 24.40 H new ATOM 0 HD13 LEU A 64 -11.291 17.862 -26.574 1.00 24.40 H new ATOM 0 HD21 LEU A 64 -8.729 16.236 -25.954 1.00 11.44 H new ATOM 0 HD22 LEU A 64 -9.013 17.918 -25.448 1.00 11.44 H new ATOM 0 HD23 LEU A 64 -8.605 16.682 -24.235 1.00 11.44 H new ATOM 967 N PHE A 65 -10.605 19.422 -21.544 1.00 0.23 N ATOM 968 CA PHE A 65 -9.868 20.591 -21.052 1.00 4.03 C ATOM 969 C PHE A 65 -9.326 20.399 -19.633 1.00 63.52 C ATOM 970 O PHE A 65 -8.368 21.062 -19.251 1.00 63.40 O ATOM 971 CB PHE A 65 -10.733 21.856 -21.055 1.00 11.23 C ATOM 972 CG PHE A 65 -11.111 22.355 -22.439 1.00 64.14 C ATOM 973 CD1 PHE A 65 -10.322 22.077 -23.581 1.00 72.33 C ATOM 974 CD2 PHE A 65 -12.269 23.143 -22.595 1.00 35.42 C ATOM 975 CE1 PHE A 65 -10.699 22.592 -24.856 1.00 31.31 C ATOM 976 CE2 PHE A 65 -12.635 23.671 -23.853 1.00 71.25 C ATOM 977 CZ PHE A 65 -11.855 23.397 -24.984 1.00 24.14 C ATOM 0 H PHE A 65 -11.619 19.531 -21.555 1.00 0.23 H new ATOM 0 HA PHE A 65 -9.033 20.705 -21.743 1.00 4.03 H new ATOM 0 HB2 PHE A 65 -11.645 21.659 -20.492 1.00 11.23 H new ATOM 0 HB3 PHE A 65 -10.199 22.648 -20.530 1.00 11.23 H new ATOM 0 HD1 PHE A 65 -9.432 21.473 -23.486 1.00 72.33 H new ATOM 0 HD2 PHE A 65 -12.889 23.347 -21.735 1.00 35.42 H new ATOM 0 HE1 PHE A 65 -10.100 22.367 -25.726 1.00 31.31 H new ATOM 0 HE2 PHE A 65 -13.518 24.287 -23.943 1.00 71.25 H new ATOM 0 HZ PHE A 65 -12.134 23.798 -25.947 1.00 24.14 H new ATOM 987 N SER A 66 -9.951 19.533 -18.844 1.00 62.34 N ATOM 988 CA SER A 66 -9.517 19.312 -17.454 1.00 71.10 C ATOM 989 C SER A 66 -8.253 18.478 -17.415 1.00 72.14 C ATOM 990 O SER A 66 -7.479 18.518 -16.460 1.00 52.41 O ATOM 991 CB SER A 66 -10.620 18.616 -16.635 1.00 20.44 C ATOM 992 OG SER A 66 -11.786 19.430 -16.603 1.00 52.12 O ATOM 0 H SER A 66 -10.754 18.973 -19.132 1.00 62.34 H new ATOM 0 HA SER A 66 -9.315 20.288 -17.012 1.00 71.10 H new ATOM 0 HB2 SER A 66 -10.855 17.647 -17.075 1.00 20.44 H new ATOM 0 HB3 SER A 66 -10.268 18.429 -15.620 1.00 20.44 H new ATOM 0 HG SER A 66 -12.408 19.138 -17.301 1.00 52.12 H new ATOM 998 N SER A 67 -8.070 17.673 -18.458 1.00 32.01 N ATOM 999 CA SER A 67 -6.899 16.806 -18.576 1.00 52.31 C ATOM 1000 C SER A 67 -6.507 16.654 -20.050 1.00 1.25 C ATOM 1001 O SER A 67 -6.861 15.667 -20.688 1.00 52.31 O ATOM 1002 CB SER A 67 -7.203 15.436 -17.963 1.00 74.11 C ATOM 1003 OG SER A 67 -7.653 15.585 -16.622 1.00 33.33 O ATOM 0 H SER A 67 -8.722 17.602 -19.239 1.00 32.01 H new ATOM 0 HA SER A 67 -6.065 17.255 -18.037 1.00 52.31 H new ATOM 0 HB2 SER A 67 -7.963 14.926 -18.554 1.00 74.11 H new ATOM 0 HB3 SER A 67 -6.309 14.813 -17.987 1.00 74.11 H new ATOM 0 HG SER A 67 -7.846 14.703 -16.242 1.00 33.33 H new ATOM 1009 N PRO A 68 -5.799 17.656 -20.622 1.00 23.24 N ATOM 1010 CA PRO A 68 -5.488 17.681 -22.064 1.00 63.14 C ATOM 1011 C PRO A 68 -4.347 16.769 -22.547 1.00 30.51 C ATOM 1012 O PRO A 68 -3.571 17.153 -23.415 1.00 3.01 O ATOM 1013 CB PRO A 68 -5.153 19.165 -22.295 1.00 62.02 C ATOM 1014 CG PRO A 68 -4.511 19.581 -21.036 1.00 22.32 C ATOM 1015 CD PRO A 68 -5.309 18.890 -19.957 1.00 60.51 C ATOM 0 HA PRO A 68 -6.325 17.284 -22.638 1.00 63.14 H new ATOM 0 HB2 PRO A 68 -4.486 19.296 -23.147 1.00 62.02 H new ATOM 0 HB3 PRO A 68 -6.050 19.750 -22.499 1.00 62.02 H new ATOM 0 HG2 PRO A 68 -3.463 19.282 -21.007 1.00 22.32 H new ATOM 0 HG3 PRO A 68 -4.537 20.664 -20.916 1.00 22.32 H new ATOM 0 HD2 PRO A 68 -4.693 18.660 -19.088 1.00 60.51 H new ATOM 0 HD3 PRO A 68 -6.133 19.512 -19.608 1.00 60.51 H new ATOM 1023 N THR A 69 -4.273 15.554 -22.024 1.00 31.54 N ATOM 1024 CA THR A 69 -3.290 14.544 -22.461 1.00 14.41 C ATOM 1025 C THR A 69 -4.120 13.345 -22.835 1.00 70.22 C ATOM 1026 O THR A 69 -5.243 13.237 -22.356 1.00 44.42 O ATOM 1027 CB THR A 69 -2.289 14.168 -21.340 1.00 21.40 C ATOM 1028 OG1 THR A 69 -2.997 13.920 -20.138 1.00 12.43 O ATOM 1029 CG2 THR A 69 -1.333 15.306 -21.077 1.00 63.41 C ATOM 0 H THR A 69 -4.891 15.229 -21.281 1.00 31.54 H new ATOM 0 HA THR A 69 -2.681 14.922 -23.283 1.00 14.41 H new ATOM 0 HB THR A 69 -1.738 13.284 -21.662 1.00 21.40 H new ATOM 0 HG1 THR A 69 -2.364 13.680 -19.429 1.00 12.43 H new ATOM 0 HG21 THR A 69 -0.638 15.022 -20.287 1.00 63.41 H new ATOM 0 HG22 THR A 69 -0.776 15.531 -21.986 1.00 63.41 H new ATOM 0 HG23 THR A 69 -1.894 16.188 -20.768 1.00 63.41 H new ATOM 1037 N PRO A 70 -3.611 12.427 -23.687 1.00 54.40 N ATOM 1038 CA PRO A 70 -4.536 11.348 -24.050 1.00 52.42 C ATOM 1039 C PRO A 70 -4.876 10.409 -22.876 1.00 72.44 C ATOM 1040 O PRO A 70 -6.022 9.984 -22.737 1.00 5.11 O ATOM 1041 CB PRO A 70 -3.796 10.651 -25.194 1.00 5.53 C ATOM 1042 CG PRO A 70 -2.414 10.871 -24.922 1.00 60.33 C ATOM 1043 CD PRO A 70 -2.330 12.279 -24.402 1.00 62.43 C ATOM 0 HA PRO A 70 -5.522 11.711 -24.339 1.00 52.42 H new ATOM 0 HB2 PRO A 70 -4.028 9.587 -25.225 1.00 5.53 H new ATOM 0 HB3 PRO A 70 -4.080 11.067 -26.160 1.00 5.53 H new ATOM 0 HG2 PRO A 70 -2.039 10.158 -24.188 1.00 60.33 H new ATOM 0 HG3 PRO A 70 -1.812 10.748 -25.822 1.00 60.33 H new ATOM 0 HD2 PRO A 70 -1.476 12.417 -23.739 1.00 62.43 H new ATOM 0 HD3 PRO A 70 -2.228 13.005 -25.209 1.00 62.43 H new ATOM 1051 N ALA A 71 -3.939 10.156 -21.962 1.00 71.31 N ATOM 1052 CA ALA A 71 -4.246 9.361 -20.764 1.00 44.02 C ATOM 1053 C ALA A 71 -5.114 10.163 -19.809 1.00 44.41 C ATOM 1054 O ALA A 71 -6.002 9.622 -19.179 1.00 54.42 O ATOM 1055 CB ALA A 71 -2.945 8.938 -20.078 1.00 43.30 C ATOM 0 H ALA A 71 -2.974 10.482 -22.022 1.00 71.31 H new ATOM 0 HA ALA A 71 -4.796 8.468 -21.059 1.00 44.02 H new ATOM 0 HB1 ALA A 71 -3.176 8.349 -19.191 1.00 43.30 H new ATOM 0 HB2 ALA A 71 -2.349 8.338 -20.766 1.00 43.30 H new ATOM 0 HB3 ALA A 71 -2.382 9.825 -19.788 1.00 43.30 H new ATOM 1061 N GLY A 72 -4.872 11.465 -19.745 1.00 53.53 N ATOM 1062 CA GLY A 72 -5.631 12.327 -18.869 1.00 31.32 C ATOM 1063 C GLY A 72 -7.103 12.278 -19.245 1.00 63.43 C ATOM 1064 O GLY A 72 -7.958 12.074 -18.381 1.00 73.03 O ATOM 0 H GLY A 72 -4.155 11.941 -20.292 1.00 53.53 H new ATOM 0 HA2 GLY A 72 -5.500 12.014 -17.833 1.00 31.32 H new ATOM 0 HA3 GLY A 72 -5.262 13.350 -18.941 1.00 31.32 H new ATOM 1068 N VAL A 73 -7.417 12.385 -20.529 1.00 13.23 N ATOM 1069 CA VAL A 73 -8.796 12.366 -20.978 1.00 22.10 C ATOM 1070 C VAL A 73 -9.443 11.036 -20.587 1.00 74.32 C ATOM 1071 O VAL A 73 -10.617 11.029 -20.096 1.00 35.12 O ATOM 1072 CB VAL A 73 -8.851 12.506 -22.574 1.00 50.22 C ATOM 1073 CG1 VAL A 73 -10.266 12.281 -23.106 1.00 23.32 C ATOM 1074 CG2 VAL A 73 -8.410 13.922 -22.976 1.00 34.33 C ATOM 0 H VAL A 73 -6.731 12.486 -21.277 1.00 13.23 H new ATOM 0 HA VAL A 73 -9.329 13.196 -20.513 1.00 22.10 H new ATOM 0 HB VAL A 73 -8.188 11.752 -22.998 1.00 50.22 H new ATOM 0 HG11 VAL A 73 -10.267 12.383 -24.191 1.00 23.32 H new ATOM 0 HG12 VAL A 73 -10.602 11.280 -22.835 1.00 23.32 H new ATOM 0 HG13 VAL A 73 -10.940 13.019 -22.671 1.00 23.32 H new ATOM 0 HG21 VAL A 73 -8.446 14.020 -24.061 1.00 34.33 H new ATOM 0 HG22 VAL A 73 -9.079 14.654 -22.523 1.00 34.33 H new ATOM 0 HG23 VAL A 73 -7.392 14.098 -22.630 1.00 34.33 H new ATOM 1084 N ALA A 74 -8.699 9.962 -20.728 1.00 75.34 N ATOM 1085 CA ALA A 74 -9.213 8.634 -20.341 1.00 65.24 C ATOM 1086 C ALA A 74 -9.557 8.511 -18.874 1.00 2.10 C ATOM 1087 O ALA A 74 -10.600 7.994 -18.535 1.00 55.24 O ATOM 1088 CB ALA A 74 -8.154 7.556 -20.731 1.00 24.13 C ATOM 0 H ALA A 74 -7.749 9.963 -21.100 1.00 75.34 H new ATOM 0 HA ALA A 74 -10.150 8.484 -20.878 1.00 65.24 H new ATOM 0 HB1 ALA A 74 -8.520 6.568 -20.451 1.00 24.13 H new ATOM 0 HB2 ALA A 74 -7.982 7.588 -21.807 1.00 24.13 H new ATOM 0 HB3 ALA A 74 -7.219 7.758 -20.208 1.00 24.13 H new ATOM 1094 N ARG A 75 -8.736 9.029 -18.038 1.00 52.33 N ATOM 1095 CA ARG A 75 -8.996 8.990 -16.617 1.00 1.01 C ATOM 1096 C ARG A 75 -10.052 9.927 -16.145 1.00 24.44 C ATOM 1097 O ARG A 75 -10.824 9.597 -15.265 1.00 21.53 O ATOM 1098 CB ARG A 75 -7.718 9.305 -15.864 1.00 1.41 C ATOM 1099 CG ARG A 75 -6.601 8.358 -16.228 1.00 34.23 C ATOM 1100 CD ARG A 75 -6.872 6.880 -15.891 1.00 41.23 C ATOM 1101 NE ARG A 75 -7.419 6.670 -14.564 1.00 35.40 N ATOM 1102 CZ ARG A 75 -8.094 5.591 -14.143 1.00 21.33 C ATOM 1103 NH1 ARG A 75 -8.333 4.569 -14.917 1.00 60.22 N ATOM 1104 NH2 ARG A 75 -8.544 5.524 -12.908 1.00 43.22 N ATOM 0 H ARG A 75 -7.866 9.493 -18.300 1.00 52.33 H new ATOM 0 HA ARG A 75 -9.361 7.982 -16.419 1.00 1.01 H new ATOM 0 HB2 ARG A 75 -7.412 10.328 -16.082 1.00 1.41 H new ATOM 0 HB3 ARG A 75 -7.906 9.250 -14.792 1.00 1.41 H new ATOM 0 HG2 ARG A 75 -6.406 8.442 -17.297 1.00 34.23 H new ATOM 0 HG3 ARG A 75 -5.694 8.673 -15.712 1.00 34.23 H new ATOM 0 HD2 ARG A 75 -7.564 6.471 -16.627 1.00 41.23 H new ATOM 0 HD3 ARG A 75 -5.941 6.320 -15.982 1.00 41.23 H new ATOM 0 HE ARG A 75 -7.276 7.417 -13.884 1.00 35.40 H new ATOM 0 HH11 ARG A 75 -8.002 4.572 -15.882 1.00 60.22 H new ATOM 0 HH12 ARG A 75 -8.851 3.767 -14.557 1.00 60.22 H new ATOM 0 HH21 ARG A 75 -8.380 6.297 -12.263 1.00 43.22 H new ATOM 0 HH22 ARG A 75 -9.057 4.699 -12.596 1.00 43.22 H new ATOM 1118 N ALA A 76 -10.136 11.129 -16.767 1.00 15.34 N ATOM 1119 CA ALA A 76 -11.130 12.127 -16.404 1.00 63.41 C ATOM 1120 C ALA A 76 -12.534 11.585 -16.671 1.00 72.40 C ATOM 1121 O ALA A 76 -13.417 11.730 -15.845 1.00 22.22 O ATOM 1122 CB ALA A 76 -10.857 13.383 -17.218 1.00 65.24 C ATOM 0 H ALA A 76 -9.516 11.416 -17.524 1.00 15.34 H new ATOM 0 HA ALA A 76 -11.068 12.365 -15.342 1.00 63.41 H new ATOM 0 HB1 ALA A 76 -11.590 14.148 -16.964 1.00 65.24 H new ATOM 0 HB2 ALA A 76 -9.856 13.751 -16.994 1.00 65.24 H new ATOM 0 HB3 ALA A 76 -10.929 13.151 -18.281 1.00 65.24 H new ATOM 1128 N LEU A 77 -12.740 10.974 -17.829 1.00 12.10 N ATOM 1129 CA LEU A 77 -14.064 10.443 -18.179 1.00 70.21 C ATOM 1130 C LEU A 77 -14.348 9.144 -17.403 1.00 64.23 C ATOM 1131 O LEU A 77 -15.494 8.851 -17.082 1.00 71.12 O ATOM 1132 CB LEU A 77 -14.179 10.250 -19.699 1.00 65.20 C ATOM 1133 CG LEU A 77 -13.325 9.157 -20.376 1.00 0.22 C ATOM 1134 CD1 LEU A 77 -14.011 7.749 -20.384 1.00 3.31 C ATOM 1135 CD2 LEU A 77 -13.042 9.549 -21.783 1.00 5.40 C ATOM 0 H LEU A 77 -12.022 10.831 -18.539 1.00 12.10 H new ATOM 0 HA LEU A 77 -14.826 11.165 -17.886 1.00 70.21 H new ATOM 0 HB2 LEU A 77 -15.224 10.041 -19.927 1.00 65.20 H new ATOM 0 HB3 LEU A 77 -13.934 11.201 -20.172 1.00 65.20 H new ATOM 0 HG LEU A 77 -12.409 9.074 -19.791 1.00 0.22 H new ATOM 0 HD11 LEU A 77 -13.357 7.028 -20.875 1.00 3.31 H new ATOM 0 HD12 LEU A 77 -14.199 7.430 -19.359 1.00 3.31 H new ATOM 0 HD13 LEU A 77 -14.956 7.808 -20.924 1.00 3.31 H new ATOM 0 HD21 LEU A 77 -12.439 8.777 -22.261 1.00 5.40 H new ATOM 0 HD22 LEU A 77 -13.981 9.664 -22.325 1.00 5.40 H new ATOM 0 HD23 LEU A 77 -12.499 10.494 -21.795 1.00 5.40 H new