USER MOD reduce.3.24.130724 H: found=0, std=0, add=416, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 417 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 Set 1.1: A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 51 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 37 SER OG : rot 150:sc= 0 USER MOD Set 2.2: A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 CYS SG : rot 70:sc= -2.48 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= -0.579 USER MOD Single : A 35 HIS : no HD1:sc= -0.245 X(o=-0.25,f=-0.23) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -0.375 K(o=-0.38,f=-3.2!) USER MOD Single : A 57 SER OG : rot -36:sc= 0.258 USER MOD Single : A 58 ASN : amide:sc= -0.122 K(o=-0.12,f=-0.91) USER MOD Single : A 60 LYS NZ :NH3+ -147:sc= -4.3! (180deg=-5.38!) USER MOD ----------------------------------------------------------------- ATOM 88 N VAL A 9 -4.174 16.483 -1.523 1.00 0.00 N ATOM 89 CA VAL A 9 -4.606 16.681 -2.901 1.00 0.00 C ATOM 90 C VAL A 9 -5.121 15.381 -3.509 1.00 0.00 C ATOM 91 O VAL A 9 -4.508 14.325 -3.350 1.00 0.00 O ATOM 92 CB VAL A 9 -3.461 17.225 -3.776 1.00 0.00 C ATOM 93 CG1 VAL A 9 -3.925 17.404 -5.213 1.00 0.00 C ATOM 94 CG2 VAL A 9 -2.936 18.536 -3.210 1.00 0.00 C ATOM 0 HA VAL A 9 -5.414 17.412 -2.876 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.647 16.500 -3.770 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.102 17.789 -5.816 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -4.249 16.443 -5.613 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.756 18.108 -5.242 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -2.127 18.907 -3.840 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -3.742 19.270 -3.184 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.562 18.372 -2.199 1.00 0.00 H new ATOM 104 N TRP A 10 -6.249 15.466 -4.204 1.00 0.00 N ATOM 105 CA TRP A 10 -6.846 14.295 -4.837 1.00 0.00 C ATOM 106 C TRP A 10 -6.349 14.136 -6.269 1.00 0.00 C ATOM 107 O TRP A 10 -5.576 14.957 -6.763 1.00 0.00 O ATOM 108 CB TRP A 10 -8.372 14.405 -4.823 1.00 0.00 C ATOM 109 CG TRP A 10 -8.967 14.238 -3.457 1.00 0.00 C ATOM 110 CD1 TRP A 10 -9.551 15.208 -2.694 1.00 0.00 C ATOM 111 CD2 TRP A 10 -9.034 13.029 -2.694 1.00 0.00 C ATOM 112 NE1 TRP A 10 -9.978 14.675 -1.502 1.00 0.00 N ATOM 113 CE2 TRP A 10 -9.673 13.339 -1.477 1.00 0.00 C ATOM 114 CE3 TRP A 10 -8.618 11.714 -2.920 1.00 0.00 C ATOM 115 CZ2 TRP A 10 -9.903 12.383 -0.492 1.00 0.00 C ATOM 116 CZ3 TRP A 10 -8.847 10.766 -1.941 1.00 0.00 C ATOM 117 CH2 TRP A 10 -9.485 11.103 -0.740 1.00 0.00 C ATOM 0 H TRP A 10 -6.769 16.332 -4.344 1.00 0.00 H new ATOM 0 HA TRP A 10 -6.546 13.414 -4.269 1.00 0.00 H new ATOM 0 HB2 TRP A 10 -8.663 15.377 -5.222 1.00 0.00 H new ATOM 0 HB3 TRP A 10 -8.790 13.649 -5.488 1.00 0.00 H new ATOM 0 HD1 TRP A 10 -9.661 16.242 -2.985 1.00 0.00 H new ATOM 0 HE1 TRP A 10 -10.446 15.190 -0.756 1.00 0.00 H new ATOM 0 HE3 TRP A 10 -8.127 11.444 -3.843 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 -10.394 12.642 0.435 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 -8.528 9.747 -2.105 1.00 0.00 H new ATOM 0 HH2 TRP A 10 -9.650 10.338 0.005 1.00 0.00 H new ATOM 128 N LYS A 11 -6.796 13.075 -6.932 1.00 0.00 N ATOM 129 CA LYS A 11 -6.398 12.809 -8.309 1.00 0.00 C ATOM 130 C LYS A 11 -7.299 11.755 -8.942 1.00 0.00 C ATOM 131 O LYS A 11 -7.858 10.892 -8.264 1.00 0.00 O ATOM 132 CB LYS A 11 -4.940 12.346 -8.360 1.00 0.00 C ATOM 133 CG LYS A 11 -4.653 11.144 -7.477 1.00 0.00 C ATOM 134 CD LYS A 11 -3.246 10.613 -7.698 1.00 0.00 C ATOM 135 CE LYS A 11 -2.690 9.968 -6.437 1.00 0.00 C ATOM 136 NZ LYS A 11 -2.106 10.976 -5.510 1.00 0.00 N ATOM 0 H LYS A 11 -7.435 12.385 -6.537 1.00 0.00 H new ATOM 0 HA LYS A 11 -6.499 13.735 -8.875 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -4.681 12.100 -9.390 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -4.295 13.171 -8.058 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -4.778 11.422 -6.430 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -5.377 10.357 -7.686 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -3.254 9.884 -8.508 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -2.593 11.428 -8.010 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -3.485 9.423 -5.927 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -1.927 9.239 -6.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -1.738 10.497 -4.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -1.331 11.479 -5.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -2.840 11.657 -5.231 1.00 0.00 H new ATOM 150 N PRO A 12 -7.445 11.822 -10.274 1.00 0.00 N ATOM 151 CA PRO A 12 -8.277 10.879 -11.028 1.00 0.00 C ATOM 152 C PRO A 12 -7.675 9.478 -11.066 1.00 0.00 C ATOM 153 O PRO A 12 -6.765 9.203 -11.847 1.00 0.00 O ATOM 154 CB PRO A 12 -8.313 11.483 -12.434 1.00 0.00 C ATOM 155 CG PRO A 12 -7.067 12.293 -12.530 1.00 0.00 C ATOM 156 CD PRO A 12 -6.809 12.823 -11.147 1.00 0.00 C ATOM 0 HA PRO A 12 -9.262 10.754 -10.578 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -8.340 10.706 -13.198 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -9.199 12.101 -12.577 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -6.232 11.684 -12.877 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -7.186 13.108 -13.244 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -5.742 12.913 -10.944 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -7.245 13.812 -11.008 1.00 0.00 H new ATOM 164 N GLY A 13 -8.191 8.594 -10.217 1.00 0.00 N ATOM 165 CA GLY A 13 -7.692 7.232 -10.170 1.00 0.00 C ATOM 166 C GLY A 13 -7.363 6.783 -8.760 1.00 0.00 C ATOM 167 O GLY A 13 -6.498 5.930 -8.559 1.00 0.00 O ATOM 0 H GLY A 13 -8.945 8.797 -9.561 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -8.437 6.561 -10.597 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -6.799 7.154 -10.790 1.00 0.00 H new ATOM 171 N ASP A 14 -8.053 7.358 -7.782 1.00 0.00 N ATOM 172 CA ASP A 14 -7.830 7.013 -6.383 1.00 0.00 C ATOM 173 C ASP A 14 -9.150 6.713 -5.679 1.00 0.00 C ATOM 174 O ASP A 14 -9.997 7.592 -5.529 1.00 0.00 O ATOM 175 CB ASP A 14 -7.101 8.150 -5.665 1.00 0.00 C ATOM 176 CG ASP A 14 -5.602 8.108 -5.886 1.00 0.00 C ATOM 177 OD1 ASP A 14 -5.169 8.269 -7.046 1.00 0.00 O ATOM 178 OD2 ASP A 14 -4.862 7.913 -4.899 1.00 0.00 O ATOM 0 H ASP A 14 -8.772 8.066 -7.932 1.00 0.00 H new ATOM 0 HA ASP A 14 -7.210 6.117 -6.350 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -7.490 9.106 -6.016 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -7.309 8.094 -4.597 1.00 0.00 H new ATOM 183 N GLU A 15 -9.316 5.465 -5.251 1.00 0.00 N ATOM 184 CA GLU A 15 -10.534 5.050 -4.565 1.00 0.00 C ATOM 185 C GLU A 15 -10.692 5.791 -3.240 1.00 0.00 C ATOM 186 O GLU A 15 -9.757 5.861 -2.441 1.00 0.00 O ATOM 187 CB GLU A 15 -10.518 3.540 -4.319 1.00 0.00 C ATOM 188 CG GLU A 15 -9.267 3.053 -3.608 1.00 0.00 C ATOM 189 CD GLU A 15 -8.895 1.633 -3.988 1.00 0.00 C ATOM 190 OE1 GLU A 15 -9.700 0.716 -3.720 1.00 0.00 O ATOM 191 OE2 GLU A 15 -7.799 1.439 -4.554 1.00 0.00 O ATOM 0 H GLU A 15 -8.623 4.725 -5.367 1.00 0.00 H new ATOM 0 HA GLU A 15 -11.382 5.298 -5.203 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -11.392 3.267 -3.727 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -10.607 3.024 -5.275 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -8.437 3.718 -3.845 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -9.421 3.108 -2.530 1.00 0.00 H new ATOM 198 N CYS A 16 -11.879 6.341 -3.015 1.00 0.00 N ATOM 199 CA CYS A 16 -12.160 7.078 -1.788 1.00 0.00 C ATOM 200 C CYS A 16 -13.641 6.996 -1.431 1.00 0.00 C ATOM 201 O CYS A 16 -14.460 6.550 -2.235 1.00 0.00 O ATOM 202 CB CYS A 16 -11.740 8.541 -1.939 1.00 0.00 C ATOM 203 SG CYS A 16 -12.466 9.374 -3.370 1.00 0.00 S ATOM 0 H CYS A 16 -12.663 6.291 -3.666 1.00 0.00 H new ATOM 0 HA CYS A 16 -11.585 6.624 -0.981 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -12.020 9.083 -1.036 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -10.654 8.590 -2.016 1.00 0.00 H new ATOM 0 HG CYS A 16 -13.740 9.543 -3.173 1.00 0.00 H new ATOM 209 N PHE A 17 -13.977 7.429 -0.221 1.00 0.00 N ATOM 210 CA PHE A 17 -15.359 7.402 0.244 1.00 0.00 C ATOM 211 C PHE A 17 -16.039 8.748 0.007 1.00 0.00 C ATOM 212 O PHE A 17 -15.642 9.764 0.576 1.00 0.00 O ATOM 213 CB PHE A 17 -15.413 7.046 1.731 1.00 0.00 C ATOM 214 CG PHE A 17 -15.413 5.567 1.993 1.00 0.00 C ATOM 215 CD1 PHE A 17 -14.225 4.853 2.010 1.00 0.00 C ATOM 216 CD2 PHE A 17 -16.600 4.890 2.223 1.00 0.00 C ATOM 217 CE1 PHE A 17 -14.222 3.492 2.251 1.00 0.00 C ATOM 218 CE2 PHE A 17 -16.603 3.529 2.464 1.00 0.00 C ATOM 219 CZ PHE A 17 -15.412 2.830 2.479 1.00 0.00 C ATOM 0 H PHE A 17 -13.312 7.803 0.456 1.00 0.00 H new ATOM 0 HA PHE A 17 -15.892 6.640 -0.324 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -14.558 7.496 2.236 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -16.309 7.485 2.169 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -13.291 5.366 1.833 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -17.534 5.432 2.214 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -13.290 2.947 2.261 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -17.535 3.013 2.640 1.00 0.00 H new ATOM 0 HZ PHE A 17 -15.411 1.767 2.669 1.00 0.00 H new ATOM 229 N ALA A 18 -17.065 8.745 -0.837 1.00 0.00 N ATOM 230 CA ALA A 18 -17.801 9.964 -1.148 1.00 0.00 C ATOM 231 C ALA A 18 -19.217 9.909 -0.586 1.00 0.00 C ATOM 232 O ALA A 18 -19.857 8.857 -0.588 1.00 0.00 O ATOM 233 CB ALA A 18 -17.837 10.189 -2.653 1.00 0.00 C ATOM 0 H ALA A 18 -17.405 7.912 -1.318 1.00 0.00 H new ATOM 0 HA ALA A 18 -17.284 10.801 -0.678 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -18.390 11.103 -2.871 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -16.819 10.282 -3.032 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -18.328 9.344 -3.136 1.00 0.00 H new ATOM 239 N LEU A 19 -19.702 11.049 -0.105 1.00 0.00 N ATOM 240 CA LEU A 19 -21.044 11.130 0.462 1.00 0.00 C ATOM 241 C LEU A 19 -22.094 11.241 -0.638 1.00 0.00 C ATOM 242 O LEU A 19 -21.896 11.942 -1.631 1.00 0.00 O ATOM 243 CB LEU A 19 -21.148 12.330 1.405 1.00 0.00 C ATOM 244 CG LEU A 19 -22.105 12.173 2.588 1.00 0.00 C ATOM 245 CD1 LEU A 19 -21.555 11.170 3.589 1.00 0.00 C ATOM 246 CD2 LEU A 19 -22.351 13.517 3.257 1.00 0.00 C ATOM 0 H LEU A 19 -19.186 11.929 -0.096 1.00 0.00 H new ATOM 0 HA LEU A 19 -21.230 10.215 1.025 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -20.154 12.548 1.794 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -21.460 13.198 0.824 1.00 0.00 H new ATOM 0 HG LEU A 19 -23.057 11.797 2.213 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -22.249 11.071 4.424 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -21.431 10.202 3.104 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -20.590 11.517 3.959 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -23.034 13.386 4.096 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -21.406 13.922 3.618 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -22.790 14.207 2.536 1.00 0.00 H new ATOM 258 N TYR A 20 -23.212 10.547 -0.455 1.00 0.00 N ATOM 259 CA TYR A 20 -24.294 10.567 -1.432 1.00 0.00 C ATOM 260 C TYR A 20 -25.065 11.882 -1.364 1.00 0.00 C ATOM 261 O TYR A 20 -25.012 12.594 -0.361 1.00 0.00 O ATOM 262 CB TYR A 20 -25.245 9.393 -1.196 1.00 0.00 C ATOM 263 CG TYR A 20 -25.918 8.896 -2.455 1.00 0.00 C ATOM 264 CD1 TYR A 20 -25.187 8.672 -3.615 1.00 0.00 C ATOM 265 CD2 TYR A 20 -27.285 8.650 -2.484 1.00 0.00 C ATOM 266 CE1 TYR A 20 -25.798 8.219 -4.768 1.00 0.00 C ATOM 267 CE2 TYR A 20 -27.905 8.196 -3.632 1.00 0.00 C ATOM 268 CZ TYR A 20 -27.157 7.982 -4.772 1.00 0.00 C ATOM 269 OH TYR A 20 -27.770 7.529 -5.918 1.00 0.00 O ATOM 0 H TYR A 20 -23.393 9.963 0.362 1.00 0.00 H new ATOM 0 HA TYR A 20 -23.854 10.475 -2.425 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -24.690 8.572 -0.743 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -26.010 9.694 -0.480 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -24.123 8.855 -3.615 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -27.873 8.817 -1.594 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -25.215 8.051 -5.662 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -28.969 8.010 -3.637 1.00 0.00 H new ATOM 0 HH TYR A 20 -28.729 7.412 -5.752 1.00 0.00 H new ATOM 279 N TRP A 21 -25.781 12.196 -2.437 1.00 0.00 N ATOM 280 CA TRP A 21 -26.564 13.425 -2.500 1.00 0.00 C ATOM 281 C TRP A 21 -28.032 13.151 -2.191 1.00 0.00 C ATOM 282 O TRP A 21 -28.857 14.064 -2.199 1.00 0.00 O ATOM 283 CB TRP A 21 -26.433 14.067 -3.882 1.00 0.00 C ATOM 284 CG TRP A 21 -27.008 13.230 -4.984 1.00 0.00 C ATOM 285 CD1 TRP A 21 -26.345 12.308 -5.744 1.00 0.00 C ATOM 286 CD2 TRP A 21 -28.361 13.239 -5.450 1.00 0.00 C ATOM 287 NE1 TRP A 21 -27.206 11.744 -6.654 1.00 0.00 N ATOM 288 CE2 TRP A 21 -28.449 12.297 -6.494 1.00 0.00 C ATOM 289 CE3 TRP A 21 -29.508 13.949 -5.086 1.00 0.00 C ATOM 290 CZ2 TRP A 21 -29.637 12.050 -7.176 1.00 0.00 C ATOM 291 CZ3 TRP A 21 -30.687 13.703 -5.764 1.00 0.00 C ATOM 292 CH2 TRP A 21 -30.745 12.760 -6.799 1.00 0.00 C ATOM 0 H TRP A 21 -25.836 11.617 -3.275 1.00 0.00 H new ATOM 0 HA TRP A 21 -26.176 14.113 -1.749 1.00 0.00 H new ATOM 0 HB2 TRP A 21 -26.932 15.036 -3.873 1.00 0.00 H new ATOM 0 HB3 TRP A 21 -25.379 14.253 -4.089 1.00 0.00 H new ATOM 0 HD1 TRP A 21 -25.299 12.059 -5.644 1.00 0.00 H new ATOM 0 HE1 TRP A 21 -26.959 11.029 -7.338 1.00 0.00 H new ATOM 0 HE3 TRP A 21 -29.474 14.677 -4.289 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 -29.683 11.324 -7.974 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 -31.579 14.247 -5.491 1.00 0.00 H new ATOM 0 HH2 TRP A 21 -31.682 12.590 -7.309 1.00 0.00 H new ATOM 303 N GLU A 22 -28.350 11.890 -1.918 1.00 0.00 N ATOM 304 CA GLU A 22 -29.719 11.498 -1.607 1.00 0.00 C ATOM 305 C GLU A 22 -29.798 10.843 -0.231 1.00 0.00 C ATOM 306 O GLU A 22 -30.870 10.765 0.370 1.00 0.00 O ATOM 307 CB GLU A 22 -30.253 10.537 -2.672 1.00 0.00 C ATOM 308 CG GLU A 22 -30.384 11.167 -4.049 1.00 0.00 C ATOM 309 CD GLU A 22 -31.184 10.309 -5.009 1.00 0.00 C ATOM 310 OE1 GLU A 22 -32.430 10.323 -4.919 1.00 0.00 O ATOM 311 OE2 GLU A 22 -30.566 9.623 -5.850 1.00 0.00 O ATOM 0 H GLU A 22 -27.678 11.123 -1.906 1.00 0.00 H new ATOM 0 HA GLU A 22 -30.334 12.398 -1.599 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -29.589 9.675 -2.738 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -31.228 10.165 -2.358 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -30.862 12.142 -3.954 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -29.390 11.338 -4.462 1.00 0.00 H new ATOM 318 N ASP A 23 -28.657 10.375 0.261 1.00 0.00 N ATOM 319 CA ASP A 23 -28.595 9.728 1.567 1.00 0.00 C ATOM 320 C ASP A 23 -27.616 10.451 2.486 1.00 0.00 C ATOM 321 O ASP A 23 -27.737 10.388 3.709 1.00 0.00 O ATOM 322 CB ASP A 23 -28.184 8.262 1.414 1.00 0.00 C ATOM 323 CG ASP A 23 -29.305 7.401 0.867 1.00 0.00 C ATOM 324 OD1 ASP A 23 -29.861 7.755 -0.193 1.00 0.00 O ATOM 325 OD2 ASP A 23 -29.626 6.372 1.498 1.00 0.00 O ATOM 0 H ASP A 23 -27.762 10.431 -0.224 1.00 0.00 H new ATOM 0 HA ASP A 23 -29.587 9.774 2.016 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -27.322 8.197 0.750 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -27.870 7.873 2.382 1.00 0.00 H new ATOM 330 N ASN A 24 -26.646 11.135 1.889 1.00 0.00 N ATOM 331 CA ASN A 24 -25.645 11.869 2.654 1.00 0.00 C ATOM 332 C ASN A 24 -24.812 10.920 3.511 1.00 0.00 C ATOM 333 O ASN A 24 -24.357 11.282 4.596 1.00 0.00 O ATOM 334 CB ASN A 24 -26.319 12.917 3.542 1.00 0.00 C ATOM 335 CG ASN A 24 -26.581 14.216 2.806 1.00 0.00 C ATOM 336 OD1 ASN A 24 -25.721 15.096 2.750 1.00 0.00 O ATOM 337 ND2 ASN A 24 -27.774 14.343 2.237 1.00 0.00 N ATOM 0 H ASN A 24 -26.532 11.196 0.877 1.00 0.00 H new ATOM 0 HA ASN A 24 -24.982 12.371 1.950 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -27.262 12.519 3.918 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -25.688 13.115 4.409 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -28.008 15.195 1.728 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -28.456 13.588 2.309 1.00 0.00 H new ATOM 344 N LYS A 25 -24.616 9.703 3.015 1.00 0.00 N ATOM 345 CA LYS A 25 -23.836 8.701 3.732 1.00 0.00 C ATOM 346 C LYS A 25 -22.530 8.403 3.003 1.00 0.00 C ATOM 347 O LYS A 25 -22.440 8.552 1.784 1.00 0.00 O ATOM 348 CB LYS A 25 -24.648 7.413 3.894 1.00 0.00 C ATOM 349 CG LYS A 25 -25.676 7.479 5.009 1.00 0.00 C ATOM 350 CD LYS A 25 -25.029 7.317 6.375 1.00 0.00 C ATOM 351 CE LYS A 25 -25.803 8.064 7.450 1.00 0.00 C ATOM 352 NZ LYS A 25 -27.044 7.341 7.844 1.00 0.00 N ATOM 0 H LYS A 25 -24.987 9.387 2.119 1.00 0.00 H new ATOM 0 HA LYS A 25 -23.598 9.100 4.718 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -25.156 7.193 2.955 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -23.966 6.585 4.089 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -26.201 8.433 4.965 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -26.422 6.698 4.864 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -24.977 6.259 6.631 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -24.004 7.687 6.340 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -25.169 8.200 8.326 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -26.062 9.058 7.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -27.543 7.883 8.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -27.661 7.233 7.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -26.796 6.402 8.215 1.00 0.00 H new ATOM 366 N PHE A 26 -21.520 7.980 3.756 1.00 0.00 N ATOM 367 CA PHE A 26 -20.219 7.660 3.181 1.00 0.00 C ATOM 368 C PHE A 26 -20.267 6.333 2.430 1.00 0.00 C ATOM 369 O PHE A 26 -20.619 5.298 2.998 1.00 0.00 O ATOM 370 CB PHE A 26 -19.154 7.601 4.277 1.00 0.00 C ATOM 371 CG PHE A 26 -18.779 8.949 4.823 1.00 0.00 C ATOM 372 CD1 PHE A 26 -18.241 9.922 3.996 1.00 0.00 C ATOM 373 CD2 PHE A 26 -18.966 9.245 6.164 1.00 0.00 C ATOM 374 CE1 PHE A 26 -17.896 11.163 4.496 1.00 0.00 C ATOM 375 CE2 PHE A 26 -18.623 10.484 6.670 1.00 0.00 C ATOM 376 CZ PHE A 26 -18.088 11.445 5.834 1.00 0.00 C ATOM 0 H PHE A 26 -21.578 7.851 4.766 1.00 0.00 H new ATOM 0 HA PHE A 26 -19.959 8.448 2.474 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -19.518 6.976 5.093 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -18.261 7.118 3.879 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -18.090 9.708 2.948 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -19.385 8.498 6.822 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -17.476 11.912 3.841 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -18.773 10.701 7.717 1.00 0.00 H new ATOM 0 HZ PHE A 26 -17.820 12.415 6.226 1.00 0.00 H new ATOM 386 N TYR A 27 -19.913 6.370 1.151 1.00 0.00 N ATOM 387 CA TYR A 27 -19.918 5.171 0.321 1.00 0.00 C ATOM 388 C TYR A 27 -18.666 5.105 -0.549 1.00 0.00 C ATOM 389 O TYR A 27 -18.204 6.121 -1.069 1.00 0.00 O ATOM 390 CB TYR A 27 -21.168 5.142 -0.561 1.00 0.00 C ATOM 391 CG TYR A 27 -22.461 5.161 0.221 1.00 0.00 C ATOM 392 CD1 TYR A 27 -22.656 4.310 1.302 1.00 0.00 C ATOM 393 CD2 TYR A 27 -23.490 6.031 -0.120 1.00 0.00 C ATOM 394 CE1 TYR A 27 -23.836 4.323 2.019 1.00 0.00 C ATOM 395 CE2 TYR A 27 -24.673 6.052 0.592 1.00 0.00 C ATOM 396 CZ TYR A 27 -24.842 5.196 1.660 1.00 0.00 C ATOM 397 OH TYR A 27 -26.019 5.214 2.372 1.00 0.00 O ATOM 0 H TYR A 27 -19.619 7.217 0.666 1.00 0.00 H new ATOM 0 HA TYR A 27 -19.926 4.303 0.980 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -21.148 5.999 -1.234 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -21.143 4.247 -1.183 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -21.870 3.626 1.587 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -23.362 6.702 -0.956 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -23.971 3.654 2.856 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -25.462 6.735 0.314 1.00 0.00 H new ATOM 0 HH TYR A 27 -26.622 5.886 1.991 1.00 0.00 H new ATOM 407 N ARG A 28 -18.123 3.902 -0.702 1.00 0.00 N ATOM 408 CA ARG A 28 -16.925 3.702 -1.508 1.00 0.00 C ATOM 409 C ARG A 28 -17.084 4.336 -2.887 1.00 0.00 C ATOM 410 O ARG A 28 -18.147 4.250 -3.501 1.00 0.00 O ATOM 411 CB ARG A 28 -16.626 2.208 -1.654 1.00 0.00 C ATOM 412 CG ARG A 28 -15.146 1.894 -1.792 1.00 0.00 C ATOM 413 CD ARG A 28 -14.498 1.655 -0.437 1.00 0.00 C ATOM 414 NE ARG A 28 -14.862 0.356 0.122 1.00 0.00 N ATOM 415 CZ ARG A 28 -14.390 -0.799 -0.334 1.00 0.00 C ATOM 416 NH1 ARG A 28 -13.539 -0.816 -1.351 1.00 0.00 N ATOM 417 NH2 ARG A 28 -14.769 -1.940 0.227 1.00 0.00 N ATOM 0 H ARG A 28 -18.494 3.051 -0.279 1.00 0.00 H new ATOM 0 HA ARG A 28 -16.091 4.185 -0.999 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -17.021 1.680 -0.786 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -17.153 1.824 -2.527 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -15.017 1.012 -2.419 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -14.643 2.719 -2.296 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -13.414 1.716 -0.538 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -14.799 2.444 0.253 1.00 0.00 H new ATOM 0 HE ARG A 28 -15.515 0.334 0.906 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -13.245 0.059 -1.785 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -13.178 -1.704 -1.699 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -15.423 -1.931 1.009 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -14.406 -2.826 -0.124 1.00 0.00 H new ATOM 431 N ALA A 29 -16.021 4.974 -3.365 1.00 0.00 N ATOM 432 CA ALA A 29 -16.043 5.622 -4.671 1.00 0.00 C ATOM 433 C ALA A 29 -14.638 5.727 -5.255 1.00 0.00 C ATOM 434 O ALA A 29 -13.677 5.218 -4.678 1.00 0.00 O ATOM 435 CB ALA A 29 -16.677 7.000 -4.566 1.00 0.00 C ATOM 0 H ALA A 29 -15.134 5.056 -2.868 1.00 0.00 H new ATOM 0 HA ALA A 29 -16.643 5.009 -5.343 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -16.687 7.472 -5.548 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -17.699 6.903 -4.200 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -16.100 7.614 -3.874 1.00 0.00 H new ATOM 441 N GLU A 30 -14.527 6.390 -6.402 1.00 0.00 N ATOM 442 CA GLU A 30 -13.238 6.560 -7.063 1.00 0.00 C ATOM 443 C GLU A 30 -13.176 7.895 -7.799 1.00 0.00 C ATOM 444 O GLU A 30 -14.003 8.177 -8.666 1.00 0.00 O ATOM 445 CB GLU A 30 -12.988 5.412 -8.044 1.00 0.00 C ATOM 446 CG GLU A 30 -11.561 5.355 -8.563 1.00 0.00 C ATOM 447 CD GLU A 30 -11.424 4.484 -9.796 1.00 0.00 C ATOM 448 OE1 GLU A 30 -12.199 4.684 -10.755 1.00 0.00 O ATOM 449 OE2 GLU A 30 -10.540 3.601 -9.803 1.00 0.00 O ATOM 0 H GLU A 30 -15.313 6.818 -6.892 1.00 0.00 H new ATOM 0 HA GLU A 30 -12.462 6.550 -6.298 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -13.225 4.468 -7.554 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -13.669 5.512 -8.889 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -11.222 6.364 -8.796 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -10.908 4.973 -7.778 1.00 0.00 H new ATOM 456 N VAL A 31 -12.190 8.713 -7.447 1.00 0.00 N ATOM 457 CA VAL A 31 -12.019 10.018 -8.073 1.00 0.00 C ATOM 458 C VAL A 31 -11.981 9.898 -9.592 1.00 0.00 C ATOM 459 O VAL A 31 -11.043 9.337 -10.157 1.00 0.00 O ATOM 460 CB VAL A 31 -10.728 10.707 -7.591 1.00 0.00 C ATOM 461 CG1 VAL A 31 -10.600 12.092 -8.208 1.00 0.00 C ATOM 462 CG2 VAL A 31 -10.702 10.787 -6.072 1.00 0.00 C ATOM 0 H VAL A 31 -11.497 8.495 -6.731 1.00 0.00 H new ATOM 0 HA VAL A 31 -12.876 10.624 -7.781 1.00 0.00 H new ATOM 0 HB VAL A 31 -9.875 10.110 -7.915 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -9.682 12.564 -7.856 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -10.570 12.005 -9.294 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -11.456 12.701 -7.916 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -9.783 11.276 -5.749 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -11.561 11.361 -5.723 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -10.744 9.781 -5.654 1.00 0.00 H new ATOM 472 N GLU A 32 -13.008 10.430 -10.249 1.00 0.00 N ATOM 473 CA GLU A 32 -13.091 10.381 -11.704 1.00 0.00 C ATOM 474 C GLU A 32 -12.340 11.551 -12.331 1.00 0.00 C ATOM 475 O GLU A 32 -11.410 11.358 -13.113 1.00 0.00 O ATOM 476 CB GLU A 32 -14.554 10.399 -12.154 1.00 0.00 C ATOM 477 CG GLU A 32 -14.798 9.663 -13.460 1.00 0.00 C ATOM 478 CD GLU A 32 -14.224 10.395 -14.658 1.00 0.00 C ATOM 479 OE1 GLU A 32 -14.623 11.555 -14.892 1.00 0.00 O ATOM 480 OE2 GLU A 32 -13.376 9.807 -15.361 1.00 0.00 O ATOM 0 H GLU A 32 -13.793 10.899 -9.797 1.00 0.00 H new ATOM 0 HA GLU A 32 -12.627 9.453 -12.038 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -15.171 9.952 -11.374 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -14.879 11.434 -12.264 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -14.356 8.669 -13.400 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -15.870 9.527 -13.601 1.00 0.00 H new ATOM 487 N ALA A 33 -12.751 12.766 -11.982 1.00 0.00 N ATOM 488 CA ALA A 33 -12.117 13.968 -12.510 1.00 0.00 C ATOM 489 C ALA A 33 -12.298 15.146 -11.559 1.00 0.00 C ATOM 490 O ALA A 33 -13.392 15.377 -11.041 1.00 0.00 O ATOM 491 CB ALA A 33 -12.681 14.303 -13.882 1.00 0.00 C ATOM 0 H ALA A 33 -13.520 12.944 -11.336 1.00 0.00 H new ATOM 0 HA ALA A 33 -11.049 13.773 -12.607 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -12.199 15.203 -14.264 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -12.495 13.474 -14.564 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -13.755 14.473 -13.802 1.00 0.00 H new ATOM 497 N LEU A 34 -11.220 15.889 -11.333 1.00 0.00 N ATOM 498 CA LEU A 34 -11.260 17.044 -10.443 1.00 0.00 C ATOM 499 C LEU A 34 -11.427 18.337 -11.236 1.00 0.00 C ATOM 500 O LEU A 34 -11.186 18.372 -12.443 1.00 0.00 O ATOM 501 CB LEU A 34 -9.984 17.109 -9.601 1.00 0.00 C ATOM 502 CG LEU A 34 -9.537 15.796 -8.959 1.00 0.00 C ATOM 503 CD1 LEU A 34 -8.043 15.823 -8.674 1.00 0.00 C ATOM 504 CD2 LEU A 34 -10.320 15.534 -7.681 1.00 0.00 C ATOM 0 H LEU A 34 -10.308 15.712 -11.754 1.00 0.00 H new ATOM 0 HA LEU A 34 -12.119 16.932 -9.781 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -9.174 17.476 -10.232 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -10.131 17.845 -8.811 1.00 0.00 H new ATOM 0 HG LEU A 34 -9.739 14.985 -9.658 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -7.743 14.880 -8.217 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -7.497 15.964 -9.607 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -7.817 16.644 -7.994 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -9.989 14.595 -7.237 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -10.150 16.348 -6.977 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -11.383 15.471 -7.912 1.00 0.00 H new ATOM 516 N HIS A 35 -11.838 19.398 -10.549 1.00 0.00 N ATOM 517 CA HIS A 35 -12.034 20.694 -11.188 1.00 0.00 C ATOM 518 C HIS A 35 -10.794 21.570 -11.032 1.00 0.00 C ATOM 519 O HIS A 35 -9.915 21.278 -10.221 1.00 0.00 O ATOM 520 CB HIS A 35 -13.251 21.402 -10.593 1.00 0.00 C ATOM 521 CG HIS A 35 -13.824 22.460 -11.484 1.00 0.00 C ATOM 522 ND1 HIS A 35 -14.038 23.758 -11.070 1.00 0.00 N ATOM 523 CD2 HIS A 35 -14.226 22.408 -12.776 1.00 0.00 C ATOM 524 CE1 HIS A 35 -14.549 24.458 -12.067 1.00 0.00 C ATOM 525 NE2 HIS A 35 -14.672 23.662 -13.114 1.00 0.00 N ATOM 0 H HIS A 35 -12.042 19.386 -9.550 1.00 0.00 H new ATOM 0 HA HIS A 35 -12.206 20.524 -12.251 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -14.022 20.662 -10.379 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -12.969 21.853 -9.642 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -14.201 21.542 -13.420 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -14.820 25.503 -12.032 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -15.039 23.935 -14.026 1.00 0.00 H new ATOM 534 N SER A 36 -10.731 22.643 -11.813 1.00 0.00 N ATOM 535 CA SER A 36 -9.598 23.559 -11.764 1.00 0.00 C ATOM 536 C SER A 36 -9.567 24.316 -10.440 1.00 0.00 C ATOM 537 O SER A 36 -8.547 24.345 -9.752 1.00 0.00 O ATOM 538 CB SER A 36 -9.664 24.549 -12.929 1.00 0.00 C ATOM 539 OG SER A 36 -9.690 23.871 -14.173 1.00 0.00 O ATOM 0 H SER A 36 -11.452 22.900 -12.488 1.00 0.00 H new ATOM 0 HA SER A 36 -8.684 22.971 -11.847 1.00 0.00 H new ATOM 0 HB2 SER A 36 -10.554 25.171 -12.832 1.00 0.00 H new ATOM 0 HB3 SER A 36 -8.803 25.216 -12.893 1.00 0.00 H new ATOM 0 HG SER A 36 -9.734 24.525 -14.901 1.00 0.00 H new ATOM 545 N SER A 37 -10.694 24.928 -10.090 1.00 0.00 N ATOM 546 CA SER A 37 -10.797 25.689 -8.850 1.00 0.00 C ATOM 547 C SER A 37 -10.294 24.869 -7.666 1.00 0.00 C ATOM 548 O SER A 37 -9.227 25.142 -7.116 1.00 0.00 O ATOM 549 CB SER A 37 -12.246 26.118 -8.609 1.00 0.00 C ATOM 550 OG SER A 37 -12.328 27.069 -7.562 1.00 0.00 O ATOM 0 H SER A 37 -11.548 24.912 -10.647 1.00 0.00 H new ATOM 0 HA SER A 37 -10.173 26.578 -8.945 1.00 0.00 H new ATOM 0 HB2 SER A 37 -12.660 26.543 -9.524 1.00 0.00 H new ATOM 0 HB3 SER A 37 -12.850 25.246 -8.361 1.00 0.00 H new ATOM 0 HG SER A 37 -13.090 27.665 -7.720 1.00 0.00 H new ATOM 556 N GLY A 38 -11.071 23.862 -7.278 1.00 0.00 N ATOM 557 CA GLY A 38 -10.689 23.018 -6.162 1.00 0.00 C ATOM 558 C GLY A 38 -11.736 22.995 -5.066 1.00 0.00 C ATOM 559 O GLY A 38 -11.410 23.099 -3.884 1.00 0.00 O ATOM 0 H GLY A 38 -11.958 23.616 -7.717 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -10.520 22.002 -6.520 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -9.744 23.372 -5.750 1.00 0.00 H new ATOM 563 N MET A 39 -12.999 22.861 -5.460 1.00 0.00 N ATOM 564 CA MET A 39 -14.098 22.826 -4.502 1.00 0.00 C ATOM 565 C MET A 39 -14.820 21.484 -4.552 1.00 0.00 C ATOM 566 O MET A 39 -15.055 20.853 -3.520 1.00 0.00 O ATOM 567 CB MET A 39 -15.084 23.961 -4.783 1.00 0.00 C ATOM 568 CG MET A 39 -14.628 25.309 -4.251 1.00 0.00 C ATOM 569 SD MET A 39 -15.895 26.582 -4.406 1.00 0.00 S ATOM 570 CE MET A 39 -14.957 27.903 -5.170 1.00 0.00 C ATOM 0 H MET A 39 -13.286 22.775 -6.435 1.00 0.00 H new ATOM 0 HA MET A 39 -13.681 22.956 -3.503 1.00 0.00 H new ATOM 0 HB2 MET A 39 -15.239 24.038 -5.859 1.00 0.00 H new ATOM 0 HB3 MET A 39 -16.048 23.712 -4.339 1.00 0.00 H new ATOM 0 HG2 MET A 39 -14.349 25.206 -3.202 1.00 0.00 H new ATOM 0 HG3 MET A 39 -13.734 25.624 -4.789 1.00 0.00 H new ATOM 0 HE1 MET A 39 -15.606 28.764 -5.331 1.00 0.00 H new ATOM 0 HE2 MET A 39 -14.131 28.187 -4.518 1.00 0.00 H new ATOM 0 HE3 MET A 39 -14.562 27.562 -6.127 1.00 0.00 H new ATOM 580 N THR A 40 -15.172 21.051 -5.759 1.00 0.00 N ATOM 581 CA THR A 40 -15.869 19.784 -5.944 1.00 0.00 C ATOM 582 C THR A 40 -15.133 18.891 -6.935 1.00 0.00 C ATOM 583 O THR A 40 -14.192 19.327 -7.598 1.00 0.00 O ATOM 584 CB THR A 40 -17.311 20.004 -6.439 1.00 0.00 C ATOM 585 OG1 THR A 40 -17.311 20.873 -7.577 1.00 0.00 O ATOM 586 CG2 THR A 40 -18.177 20.600 -5.340 1.00 0.00 C ATOM 0 H THR A 40 -14.986 21.560 -6.623 1.00 0.00 H new ATOM 0 HA THR A 40 -15.898 19.294 -4.971 1.00 0.00 H new ATOM 0 HB THR A 40 -17.726 19.036 -6.721 1.00 0.00 H new ATOM 0 HG1 THR A 40 -18.231 21.006 -7.887 1.00 0.00 H new ATOM 0 HG21 THR A 40 -19.190 20.746 -5.714 1.00 0.00 H new ATOM 0 HG22 THR A 40 -18.199 19.922 -4.487 1.00 0.00 H new ATOM 0 HG23 THR A 40 -17.763 21.560 -5.031 1.00 0.00 H new ATOM 594 N ALA A 41 -15.568 17.639 -7.033 1.00 0.00 N ATOM 595 CA ALA A 41 -14.952 16.685 -7.947 1.00 0.00 C ATOM 596 C ALA A 41 -15.944 15.605 -8.364 1.00 0.00 C ATOM 597 O ALA A 41 -16.930 15.352 -7.672 1.00 0.00 O ATOM 598 CB ALA A 41 -13.724 16.057 -7.304 1.00 0.00 C ATOM 0 H ALA A 41 -16.345 17.262 -6.490 1.00 0.00 H new ATOM 0 HA ALA A 41 -14.644 17.224 -8.843 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -13.274 15.347 -7.997 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -13.001 16.836 -7.062 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -14.017 15.538 -6.391 1.00 0.00 H new ATOM 604 N VAL A 42 -15.678 14.971 -9.502 1.00 0.00 N ATOM 605 CA VAL A 42 -16.547 13.917 -10.011 1.00 0.00 C ATOM 606 C VAL A 42 -16.008 12.537 -9.651 1.00 0.00 C ATOM 607 O VAL A 42 -14.983 12.102 -10.176 1.00 0.00 O ATOM 608 CB VAL A 42 -16.705 14.011 -11.541 1.00 0.00 C ATOM 609 CG1 VAL A 42 -17.625 12.912 -12.051 1.00 0.00 C ATOM 610 CG2 VAL A 42 -17.229 15.382 -11.938 1.00 0.00 C ATOM 0 H VAL A 42 -14.867 15.169 -10.089 1.00 0.00 H new ATOM 0 HA VAL A 42 -17.521 14.056 -9.542 1.00 0.00 H new ATOM 0 HB VAL A 42 -15.726 13.874 -12.000 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -17.725 12.994 -13.133 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -17.204 11.939 -11.798 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -18.606 13.015 -11.587 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -17.335 15.431 -13.022 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -18.199 15.550 -11.471 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -16.529 16.149 -11.606 1.00 0.00 H new ATOM 620 N VAL A 43 -16.706 11.852 -8.751 1.00 0.00 N ATOM 621 CA VAL A 43 -16.299 10.520 -8.320 1.00 0.00 C ATOM 622 C VAL A 43 -17.326 9.471 -8.732 1.00 0.00 C ATOM 623 O VAL A 43 -18.507 9.776 -8.905 1.00 0.00 O ATOM 624 CB VAL A 43 -16.104 10.459 -6.794 1.00 0.00 C ATOM 625 CG1 VAL A 43 -14.966 11.372 -6.364 1.00 0.00 C ATOM 626 CG2 VAL A 43 -17.394 10.826 -6.076 1.00 0.00 C ATOM 0 H VAL A 43 -17.556 12.198 -8.306 1.00 0.00 H new ATOM 0 HA VAL A 43 -15.349 10.306 -8.809 1.00 0.00 H new ATOM 0 HB VAL A 43 -15.841 9.437 -6.520 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -14.843 11.316 -5.282 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -14.043 11.057 -6.851 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -15.195 12.399 -6.650 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -17.237 10.777 -4.998 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -17.690 11.837 -6.354 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -18.180 10.127 -6.360 1.00 0.00 H new ATOM 636 N LYS A 44 -16.870 8.233 -8.889 1.00 0.00 N ATOM 637 CA LYS A 44 -17.748 7.137 -9.279 1.00 0.00 C ATOM 638 C LYS A 44 -17.971 6.177 -8.115 1.00 0.00 C ATOM 639 O LYS A 44 -17.018 5.714 -7.488 1.00 0.00 O ATOM 640 CB LYS A 44 -17.156 6.381 -10.471 1.00 0.00 C ATOM 641 CG LYS A 44 -17.965 5.163 -10.881 1.00 0.00 C ATOM 642 CD LYS A 44 -17.601 4.698 -12.281 1.00 0.00 C ATOM 643 CE LYS A 44 -18.186 3.327 -12.583 1.00 0.00 C ATOM 644 NZ LYS A 44 -17.916 2.904 -13.985 1.00 0.00 N ATOM 0 H LYS A 44 -15.896 7.964 -8.752 1.00 0.00 H new ATOM 0 HA LYS A 44 -18.710 7.561 -9.567 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -17.081 7.060 -11.320 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -16.142 6.067 -10.224 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -17.792 4.354 -10.171 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -19.028 5.400 -10.840 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -17.966 5.420 -13.012 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -16.516 4.662 -12.383 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -17.765 2.593 -11.895 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -19.262 3.346 -12.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -18.331 1.965 -14.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -18.339 3.590 -14.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -16.889 2.861 -14.143 1.00 0.00 H new ATOM 658 N PHE A 45 -19.235 5.882 -7.831 1.00 0.00 N ATOM 659 CA PHE A 45 -19.583 4.976 -6.742 1.00 0.00 C ATOM 660 C PHE A 45 -19.434 3.521 -7.176 1.00 0.00 C ATOM 661 O PHE A 45 -19.968 3.110 -8.207 1.00 0.00 O ATOM 662 CB PHE A 45 -21.016 5.236 -6.273 1.00 0.00 C ATOM 663 CG PHE A 45 -21.147 6.442 -5.387 1.00 0.00 C ATOM 664 CD1 PHE A 45 -20.532 6.477 -4.146 1.00 0.00 C ATOM 665 CD2 PHE A 45 -21.887 7.540 -5.795 1.00 0.00 C ATOM 666 CE1 PHE A 45 -20.651 7.585 -3.328 1.00 0.00 C ATOM 667 CE2 PHE A 45 -22.009 8.651 -4.982 1.00 0.00 C ATOM 668 CZ PHE A 45 -21.391 8.673 -3.746 1.00 0.00 C ATOM 0 H PHE A 45 -20.036 6.257 -8.340 1.00 0.00 H new ATOM 0 HA PHE A 45 -18.898 5.162 -5.915 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -21.658 5.364 -7.145 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -21.379 4.359 -5.736 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -19.953 5.628 -3.814 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -22.374 7.528 -6.759 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -20.166 7.600 -2.363 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -22.587 9.501 -5.312 1.00 0.00 H new ATOM 0 HZ PHE A 45 -21.487 9.539 -3.108 1.00 0.00 H new ATOM 678 N THR A 46 -18.703 2.745 -6.382 1.00 0.00 N ATOM 679 CA THR A 46 -18.481 1.336 -6.683 1.00 0.00 C ATOM 680 C THR A 46 -19.766 0.531 -6.523 1.00 0.00 C ATOM 681 O THR A 46 -20.015 -0.413 -7.273 1.00 0.00 O ATOM 682 CB THR A 46 -17.393 0.732 -5.775 1.00 0.00 C ATOM 683 OG1 THR A 46 -16.801 -0.406 -6.411 1.00 0.00 O ATOM 684 CG2 THR A 46 -17.977 0.322 -4.431 1.00 0.00 C ATOM 0 H THR A 46 -18.254 3.069 -5.525 1.00 0.00 H new ATOM 0 HA THR A 46 -18.149 1.283 -7.720 1.00 0.00 H new ATOM 0 HB THR A 46 -16.629 1.491 -5.605 1.00 0.00 H new ATOM 0 HG1 THR A 46 -16.109 -0.783 -5.828 1.00 0.00 H new ATOM 0 HG21 THR A 46 -17.190 -0.102 -3.807 1.00 0.00 H new ATOM 0 HG22 THR A 46 -18.401 1.196 -3.937 1.00 0.00 H new ATOM 0 HG23 THR A 46 -18.758 -0.422 -4.586 1.00 0.00 H new ATOM 692 N ASP A 47 -20.578 0.910 -5.542 1.00 0.00 N ATOM 693 CA ASP A 47 -21.838 0.223 -5.285 1.00 0.00 C ATOM 694 C ASP A 47 -22.473 -0.253 -6.588 1.00 0.00 C ATOM 695 O ASP A 47 -22.748 -1.441 -6.759 1.00 0.00 O ATOM 696 CB ASP A 47 -22.804 1.146 -4.540 1.00 0.00 C ATOM 697 CG ASP A 47 -23.753 0.384 -3.637 1.00 0.00 C ATOM 698 OD1 ASP A 47 -23.374 0.103 -2.481 1.00 0.00 O ATOM 699 OD2 ASP A 47 -24.875 0.067 -4.087 1.00 0.00 O ATOM 0 H ASP A 47 -20.386 1.689 -4.912 1.00 0.00 H new ATOM 0 HA ASP A 47 -21.628 -0.648 -4.664 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -22.234 1.859 -3.944 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -23.380 1.724 -5.263 1.00 0.00 H new ATOM 704 N TYR A 48 -22.705 0.682 -7.503 1.00 0.00 N ATOM 705 CA TYR A 48 -23.312 0.358 -8.789 1.00 0.00 C ATOM 706 C TYR A 48 -22.415 0.801 -9.941 1.00 0.00 C ATOM 707 O TYR A 48 -22.263 0.090 -10.933 1.00 0.00 O ATOM 708 CB TYR A 48 -24.684 1.024 -8.911 1.00 0.00 C ATOM 709 CG TYR A 48 -25.529 0.902 -7.664 1.00 0.00 C ATOM 710 CD1 TYR A 48 -25.444 1.846 -6.648 1.00 0.00 C ATOM 711 CD2 TYR A 48 -26.414 -0.157 -7.502 1.00 0.00 C ATOM 712 CE1 TYR A 48 -26.214 1.738 -5.506 1.00 0.00 C ATOM 713 CE2 TYR A 48 -27.190 -0.272 -6.364 1.00 0.00 C ATOM 714 CZ TYR A 48 -27.086 0.678 -5.369 1.00 0.00 C ATOM 715 OH TYR A 48 -27.856 0.568 -4.234 1.00 0.00 O ATOM 0 H TYR A 48 -22.482 1.670 -7.378 1.00 0.00 H new ATOM 0 HA TYR A 48 -23.435 -0.724 -8.843 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -24.547 2.080 -9.145 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -25.221 0.579 -9.749 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -24.764 2.679 -6.753 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -26.497 -0.903 -8.279 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -26.134 2.479 -4.725 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -27.874 -1.101 -6.254 1.00 0.00 H new ATOM 0 HH TYR A 48 -28.417 -0.233 -4.295 1.00 0.00 H new ATOM 725 N GLY A 49 -21.820 1.982 -9.799 1.00 0.00 N ATOM 726 CA GLY A 49 -20.945 2.501 -10.834 1.00 0.00 C ATOM 727 C GLY A 49 -21.475 3.777 -11.457 1.00 0.00 C ATOM 728 O GLY A 49 -21.381 3.970 -12.668 1.00 0.00 O ATOM 0 H GLY A 49 -21.928 2.588 -8.986 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -19.959 2.690 -10.410 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -20.819 1.747 -11.611 1.00 0.00 H new ATOM 732 N ASN A 50 -22.036 4.650 -10.626 1.00 0.00 N ATOM 733 CA ASN A 50 -22.586 5.914 -11.103 1.00 0.00 C ATOM 734 C ASN A 50 -21.747 7.091 -10.616 1.00 0.00 C ATOM 735 O ASN A 50 -21.238 7.082 -9.494 1.00 0.00 O ATOM 736 CB ASN A 50 -24.033 6.075 -10.631 1.00 0.00 C ATOM 737 CG ASN A 50 -24.227 5.622 -9.197 1.00 0.00 C ATOM 738 OD1 ASN A 50 -24.123 4.434 -8.890 1.00 0.00 O ATOM 739 ND2 ASN A 50 -24.511 6.569 -8.311 1.00 0.00 N ATOM 0 H ASN A 50 -22.122 4.505 -9.620 1.00 0.00 H new ATOM 0 HA ASN A 50 -22.565 5.902 -12.193 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -24.328 7.120 -10.722 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -24.691 5.500 -11.283 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -24.653 6.325 -7.331 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -24.588 7.541 -8.610 1.00 0.00 H new ATOM 746 N TYR A 51 -21.606 8.102 -11.465 1.00 0.00 N ATOM 747 CA TYR A 51 -20.827 9.286 -11.123 1.00 0.00 C ATOM 748 C TYR A 51 -21.671 10.285 -10.337 1.00 0.00 C ATOM 749 O TYR A 51 -22.835 10.521 -10.662 1.00 0.00 O ATOM 750 CB TYR A 51 -20.281 9.947 -12.389 1.00 0.00 C ATOM 751 CG TYR A 51 -19.502 9.003 -13.277 1.00 0.00 C ATOM 752 CD1 TYR A 51 -18.174 8.700 -13.007 1.00 0.00 C ATOM 753 CD2 TYR A 51 -20.096 8.413 -14.387 1.00 0.00 C ATOM 754 CE1 TYR A 51 -17.458 7.839 -13.816 1.00 0.00 C ATOM 755 CE2 TYR A 51 -19.388 7.550 -15.201 1.00 0.00 C ATOM 756 CZ TYR A 51 -18.070 7.266 -14.911 1.00 0.00 C ATOM 757 OH TYR A 51 -17.361 6.407 -15.719 1.00 0.00 O ATOM 0 H TYR A 51 -22.021 8.126 -12.396 1.00 0.00 H new ATOM 0 HA TYR A 51 -19.992 8.972 -10.497 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -21.112 10.365 -12.958 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -19.638 10.780 -12.105 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -17.692 9.145 -12.149 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -21.128 8.633 -14.617 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -16.425 7.616 -13.592 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -19.864 7.100 -16.060 1.00 0.00 H new ATOM 0 HH TYR A 51 -17.938 6.090 -16.445 1.00 0.00 H new ATOM 767 N GLU A 52 -21.076 10.869 -9.302 1.00 0.00 N ATOM 768 CA GLU A 52 -21.772 11.843 -8.470 1.00 0.00 C ATOM 769 C GLU A 52 -20.814 12.925 -7.981 1.00 0.00 C ATOM 770 O GLU A 52 -19.756 12.628 -7.430 1.00 0.00 O ATOM 771 CB GLU A 52 -22.428 11.148 -7.274 1.00 0.00 C ATOM 772 CG GLU A 52 -23.790 10.554 -7.587 1.00 0.00 C ATOM 773 CD GLU A 52 -24.794 11.599 -8.034 1.00 0.00 C ATOM 774 OE1 GLU A 52 -24.573 12.794 -7.746 1.00 0.00 O ATOM 775 OE2 GLU A 52 -25.800 11.222 -8.670 1.00 0.00 O ATOM 0 H GLU A 52 -20.113 10.684 -9.020 1.00 0.00 H new ATOM 0 HA GLU A 52 -22.545 12.315 -9.077 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -21.769 10.356 -6.918 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -22.532 11.865 -6.460 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -23.683 9.801 -8.368 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -24.172 10.044 -6.703 1.00 0.00 H new ATOM 782 N GLU A 53 -21.195 14.182 -8.189 1.00 0.00 N ATOM 783 CA GLU A 53 -20.369 15.309 -7.771 1.00 0.00 C ATOM 784 C GLU A 53 -20.439 15.503 -6.260 1.00 0.00 C ATOM 785 O GLU A 53 -21.508 15.759 -5.704 1.00 0.00 O ATOM 786 CB GLU A 53 -20.815 16.588 -8.483 1.00 0.00 C ATOM 787 CG GLU A 53 -19.723 17.640 -8.584 1.00 0.00 C ATOM 788 CD GLU A 53 -18.898 17.505 -9.849 1.00 0.00 C ATOM 789 OE1 GLU A 53 -19.493 17.289 -10.926 1.00 0.00 O ATOM 790 OE2 GLU A 53 -17.657 17.617 -9.762 1.00 0.00 O ATOM 0 H GLU A 53 -22.069 14.445 -8.644 1.00 0.00 H new ATOM 0 HA GLU A 53 -19.336 15.092 -8.044 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -21.158 16.335 -9.486 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -21.668 17.011 -7.952 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -20.175 18.631 -8.554 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -19.067 17.562 -7.717 1.00 0.00 H new ATOM 797 N VAL A 54 -19.292 15.380 -5.599 1.00 0.00 N ATOM 798 CA VAL A 54 -19.222 15.542 -4.152 1.00 0.00 C ATOM 799 C VAL A 54 -18.082 16.474 -3.758 1.00 0.00 C ATOM 800 O VAL A 54 -17.002 16.436 -4.348 1.00 0.00 O ATOM 801 CB VAL A 54 -19.032 14.188 -3.443 1.00 0.00 C ATOM 802 CG1 VAL A 54 -19.584 14.244 -2.027 1.00 0.00 C ATOM 803 CG2 VAL A 54 -19.695 13.073 -4.239 1.00 0.00 C ATOM 0 H VAL A 54 -18.398 15.169 -6.043 1.00 0.00 H new ATOM 0 HA VAL A 54 -20.170 15.978 -3.837 1.00 0.00 H new ATOM 0 HB VAL A 54 -17.965 13.976 -3.382 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -19.441 13.278 -1.542 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -19.060 15.015 -1.462 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -20.648 14.479 -2.060 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -19.551 12.123 -3.724 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -20.762 13.277 -4.332 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -19.248 13.019 -5.232 1.00 0.00 H new ATOM 813 N LEU A 55 -18.329 17.312 -2.756 1.00 0.00 N ATOM 814 CA LEU A 55 -17.322 18.255 -2.282 1.00 0.00 C ATOM 815 C LEU A 55 -16.106 17.520 -1.727 1.00 0.00 C ATOM 816 O LEU A 55 -16.238 16.487 -1.069 1.00 0.00 O ATOM 817 CB LEU A 55 -17.915 19.166 -1.207 1.00 0.00 C ATOM 818 CG LEU A 55 -18.582 20.448 -1.707 1.00 0.00 C ATOM 819 CD1 LEU A 55 -19.663 20.900 -0.737 1.00 0.00 C ATOM 820 CD2 LEU A 55 -17.547 21.546 -1.904 1.00 0.00 C ATOM 0 H LEU A 55 -19.217 17.357 -2.257 1.00 0.00 H new ATOM 0 HA LEU A 55 -17.001 18.862 -3.128 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -18.650 18.595 -0.640 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -17.121 19.440 -0.513 1.00 0.00 H new ATOM 0 HG LEU A 55 -19.049 20.240 -2.669 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -20.127 21.814 -1.109 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -20.419 20.120 -0.646 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -19.219 21.090 0.240 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -18.040 22.451 -2.260 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -17.050 21.752 -0.956 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -16.808 21.222 -2.637 1.00 0.00 H new ATOM 832 N LEU A 56 -14.922 18.059 -1.995 1.00 0.00 N ATOM 833 CA LEU A 56 -13.681 17.456 -1.521 1.00 0.00 C ATOM 834 C LEU A 56 -13.707 17.276 -0.006 1.00 0.00 C ATOM 835 O LEU A 56 -13.135 16.325 0.526 1.00 0.00 O ATOM 836 CB LEU A 56 -12.485 18.321 -1.922 1.00 0.00 C ATOM 837 CG LEU A 56 -12.348 18.626 -3.414 1.00 0.00 C ATOM 838 CD1 LEU A 56 -11.155 19.534 -3.666 1.00 0.00 C ATOM 839 CD2 LEU A 56 -12.218 17.338 -4.213 1.00 0.00 C ATOM 0 H LEU A 56 -14.795 18.913 -2.538 1.00 0.00 H new ATOM 0 HA LEU A 56 -13.583 16.474 -1.984 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -12.548 19.266 -1.383 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -11.574 17.824 -1.588 1.00 0.00 H new ATOM 0 HG LEU A 56 -13.249 19.144 -3.743 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -11.074 19.740 -4.733 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -11.290 20.471 -3.125 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -10.245 19.043 -3.321 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -12.122 17.575 -5.272 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -11.335 16.792 -3.882 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -13.104 16.723 -4.058 1.00 0.00 H new ATOM 851 N SER A 57 -14.377 18.195 0.682 1.00 0.00 N ATOM 852 CA SER A 57 -14.476 18.139 2.136 1.00 0.00 C ATOM 853 C SER A 57 -15.348 16.967 2.576 1.00 0.00 C ATOM 854 O SER A 57 -15.493 16.699 3.768 1.00 0.00 O ATOM 855 CB SER A 57 -15.051 19.448 2.680 1.00 0.00 C ATOM 856 OG SER A 57 -14.952 19.501 4.093 1.00 0.00 O ATOM 0 H SER A 57 -14.859 18.987 0.256 1.00 0.00 H new ATOM 0 HA SER A 57 -13.473 17.995 2.538 1.00 0.00 H new ATOM 0 HB2 SER A 57 -14.518 20.292 2.243 1.00 0.00 H new ATOM 0 HB3 SER A 57 -16.095 19.542 2.382 1.00 0.00 H new ATOM 0 HG SER A 57 -15.096 18.606 4.465 1.00 0.00 H new ATOM 862 N ASN A 58 -15.928 16.271 1.603 1.00 0.00 N ATOM 863 CA ASN A 58 -16.786 15.127 1.888 1.00 0.00 C ATOM 864 C ASN A 58 -16.187 13.842 1.324 1.00 0.00 C ATOM 865 O ASN A 58 -16.911 12.915 0.959 1.00 0.00 O ATOM 866 CB ASN A 58 -18.182 15.352 1.302 1.00 0.00 C ATOM 867 CG ASN A 58 -18.894 16.529 1.940 1.00 0.00 C ATOM 868 OD1 ASN A 58 -18.630 16.879 3.090 1.00 0.00 O ATOM 869 ND2 ASN A 58 -19.802 17.147 1.193 1.00 0.00 N ATOM 0 H ASN A 58 -15.819 16.480 0.610 1.00 0.00 H new ATOM 0 HA ASN A 58 -16.865 15.025 2.970 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -18.100 15.519 0.228 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -18.780 14.451 1.439 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -20.313 17.946 1.568 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -19.988 16.822 0.244 1.00 0.00 H new ATOM 876 N ILE A 59 -14.861 13.795 1.256 1.00 0.00 N ATOM 877 CA ILE A 59 -14.164 12.624 0.738 1.00 0.00 C ATOM 878 C ILE A 59 -13.061 12.175 1.690 1.00 0.00 C ATOM 879 O ILE A 59 -12.320 12.996 2.231 1.00 0.00 O ATOM 880 CB ILE A 59 -13.550 12.901 -0.647 1.00 0.00 C ATOM 881 CG1 ILE A 59 -14.405 13.911 -1.415 1.00 0.00 C ATOM 882 CG2 ILE A 59 -13.415 11.606 -1.435 1.00 0.00 C ATOM 883 CD1 ILE A 59 -13.887 14.208 -2.805 1.00 0.00 C ATOM 0 H ILE A 59 -14.248 14.554 1.553 1.00 0.00 H new ATOM 0 HA ILE A 59 -14.906 11.831 0.645 1.00 0.00 H new ATOM 0 HB ILE A 59 -12.555 13.325 -0.509 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -15.424 13.530 -1.489 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -14.453 14.840 -0.848 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -12.980 11.818 -2.412 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -12.770 10.915 -0.892 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -14.399 11.156 -1.566 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -14.542 14.931 -3.291 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -12.880 14.619 -2.738 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -13.866 13.288 -3.390 1.00 0.00 H new ATOM 895 N LYS A 60 -12.955 10.866 1.890 1.00 0.00 N ATOM 896 CA LYS A 60 -11.941 10.305 2.774 1.00 0.00 C ATOM 897 C LYS A 60 -11.144 9.214 2.065 1.00 0.00 C ATOM 898 O LYS A 60 -11.689 8.397 1.323 1.00 0.00 O ATOM 899 CB LYS A 60 -12.592 9.736 4.036 1.00 0.00 C ATOM 900 CG LYS A 60 -13.878 10.444 4.428 1.00 0.00 C ATOM 901 CD LYS A 60 -13.598 11.774 5.107 1.00 0.00 C ATOM 902 CE LYS A 60 -14.846 12.641 5.169 1.00 0.00 C ATOM 903 NZ LYS A 60 -14.974 13.515 3.969 1.00 0.00 N ATOM 0 H LYS A 60 -13.560 10.173 1.451 1.00 0.00 H new ATOM 0 HA LYS A 60 -11.257 11.106 3.055 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -12.802 8.678 3.881 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -11.884 9.803 4.862 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -14.489 10.609 3.540 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -14.455 9.807 5.098 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -13.226 11.597 6.116 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -12.813 12.302 4.566 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -15.727 12.004 5.250 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -14.815 13.259 6.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -15.424 14.412 4.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -14.030 13.706 3.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -15.557 13.037 3.252 1.00 0.00 H new ATOM 917 N PRO A 61 -9.823 9.199 2.298 1.00 0.00 N ATOM 918 CA PRO A 61 -8.924 8.212 1.693 1.00 0.00 C ATOM 919 C PRO A 61 -9.139 6.811 2.254 1.00 0.00 C ATOM 920 O PRO A 61 -9.047 6.594 3.462 1.00 0.00 O ATOM 921 CB PRO A 61 -7.531 8.728 2.061 1.00 0.00 C ATOM 922 CG PRO A 61 -7.739 9.529 3.300 1.00 0.00 C ATOM 923 CD PRO A 61 -9.106 10.143 3.171 1.00 0.00 C ATOM 0 HA PRO A 61 -9.088 8.116 0.620 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -6.837 7.905 2.233 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -7.111 9.338 1.261 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -7.676 8.899 4.187 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -6.973 10.298 3.401 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -9.594 10.244 4.140 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -9.059 11.140 2.732 1.00 0.00 H new ATOM 931 N VAL A 62 -9.425 5.861 1.369 1.00 0.00 N ATOM 932 CA VAL A 62 -9.651 4.479 1.776 1.00 0.00 C ATOM 933 C VAL A 62 -8.387 3.643 1.610 1.00 0.00 C ATOM 934 O VAL A 62 -7.608 3.857 0.681 1.00 0.00 O ATOM 935 CB VAL A 62 -10.790 3.834 0.965 1.00 0.00 C ATOM 936 CG1 VAL A 62 -10.473 3.870 -0.522 1.00 0.00 C ATOM 937 CG2 VAL A 62 -11.035 2.408 1.433 1.00 0.00 C ATOM 0 H VAL A 62 -9.506 6.023 0.365 1.00 0.00 H new ATOM 0 HA VAL A 62 -9.932 4.502 2.829 1.00 0.00 H new ATOM 0 HB VAL A 62 -11.702 4.408 1.131 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -11.289 3.410 -1.079 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -10.352 4.905 -0.843 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -9.550 3.321 -0.711 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -11.843 1.967 0.849 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -10.127 1.820 1.298 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -11.310 2.413 2.488 1.00 0.00 H new