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 Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 CYS SG : rot 80:sc= -2.86! USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= -1.22 X(o=-1.2,f=-0.93) USER MOD Single : A 25 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0497) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HD1:sc= -0.992 K(o=-0.99,f=-1.9) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=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= -1.21 K(o=-1.2,f=-2.5!) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 88 N VAL A 9 -4.109 15.717 -1.068 1.00 0.00 N ATOM 89 CA VAL A 9 -4.760 16.130 -2.305 1.00 0.00 C ATOM 90 C VAL A 9 -5.319 14.928 -3.059 1.00 0.00 C ATOM 91 O VAL A 9 -4.752 13.837 -3.016 1.00 0.00 O ATOM 92 CB VAL A 9 -3.787 16.891 -3.225 1.00 0.00 C ATOM 93 CG1 VAL A 9 -2.596 16.016 -3.585 1.00 0.00 C ATOM 94 CG2 VAL A 9 -4.504 17.372 -4.477 1.00 0.00 C ATOM 0 HA VAL A 9 -5.578 16.794 -2.026 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.416 17.764 -2.689 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -1.920 16.571 -4.235 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.069 15.727 -2.676 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -2.944 15.122 -4.102 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -3.801 17.908 -5.116 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -4.906 16.515 -5.018 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -5.319 18.038 -4.196 1.00 0.00 H new ATOM 104 N TRP A 10 -6.434 15.137 -3.749 1.00 0.00 N ATOM 105 CA TRP A 10 -7.071 14.071 -4.514 1.00 0.00 C ATOM 106 C TRP A 10 -6.568 14.058 -5.954 1.00 0.00 C ATOM 107 O TRP A 10 -5.979 15.032 -6.425 1.00 0.00 O ATOM 108 CB TRP A 10 -8.591 14.237 -4.493 1.00 0.00 C ATOM 109 CG TRP A 10 -9.183 14.118 -3.121 1.00 0.00 C ATOM 110 CD1 TRP A 10 -9.770 15.113 -2.393 1.00 0.00 C ATOM 111 CD2 TRP A 10 -9.241 12.938 -2.313 1.00 0.00 C ATOM 112 NE1 TRP A 10 -10.191 14.622 -1.181 1.00 0.00 N ATOM 113 CE2 TRP A 10 -9.879 13.291 -1.107 1.00 0.00 C ATOM 114 CE3 TRP A 10 -8.819 11.618 -2.490 1.00 0.00 C ATOM 115 CZ2 TRP A 10 -10.103 12.370 -0.087 1.00 0.00 C ATOM 116 CZ3 TRP A 10 -9.041 10.706 -1.476 1.00 0.00 C ATOM 117 CH2 TRP A 10 -9.679 11.084 -0.288 1.00 0.00 C ATOM 0 H TRP A 10 -6.916 16.035 -3.795 1.00 0.00 H new ATOM 0 HA TRP A 10 -6.811 13.120 -4.050 1.00 0.00 H new ATOM 0 HB2 TRP A 10 -8.849 15.211 -4.909 1.00 0.00 H new ATOM 0 HB3 TRP A 10 -9.040 13.485 -5.141 1.00 0.00 H new ATOM 0 HD1 TRP A 10 -9.886 16.135 -2.722 1.00 0.00 H new ATOM 0 HE1 TRP A 10 -10.660 15.162 -0.454 1.00 0.00 H new ATOM 0 HE3 TRP A 10 -8.328 11.316 -3.403 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 -10.594 12.660 0.830 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 -8.717 9.684 -1.602 1.00 0.00 H new ATOM 0 HH2 TRP A 10 -9.840 10.347 0.485 1.00 0.00 H new ATOM 128 N LYS A 11 -6.804 12.951 -6.649 1.00 0.00 N ATOM 129 CA LYS A 11 -6.376 12.812 -8.036 1.00 0.00 C ATOM 130 C LYS A 11 -7.251 11.805 -8.776 1.00 0.00 C ATOM 131 O LYS A 11 -7.846 10.907 -8.180 1.00 0.00 O ATOM 132 CB LYS A 11 -4.911 12.374 -8.098 1.00 0.00 C ATOM 133 CG LYS A 11 -4.080 12.862 -6.924 1.00 0.00 C ATOM 134 CD LYS A 11 -2.627 12.437 -7.055 1.00 0.00 C ATOM 135 CE LYS A 11 -1.692 13.436 -6.392 1.00 0.00 C ATOM 136 NZ LYS A 11 -1.281 14.518 -7.330 1.00 0.00 N ATOM 0 H LYS A 11 -7.290 12.136 -6.274 1.00 0.00 H new ATOM 0 HA LYS A 11 -6.479 13.783 -8.521 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -4.867 11.286 -8.136 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -4.469 12.743 -9.024 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -4.138 13.949 -6.863 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -4.493 12.468 -5.996 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -2.492 11.455 -6.602 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -2.369 12.340 -8.110 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -2.185 13.875 -5.525 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -0.806 12.917 -6.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -0.644 15.179 -6.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -0.788 14.102 -8.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -2.124 15.030 -7.660 1.00 0.00 H new ATOM 150 N PRO A 12 -7.331 11.955 -10.107 1.00 0.00 N ATOM 151 CA PRO A 12 -8.128 11.066 -10.957 1.00 0.00 C ATOM 152 C PRO A 12 -7.533 9.666 -11.052 1.00 0.00 C ATOM 153 O PRO A 12 -6.586 9.433 -11.802 1.00 0.00 O ATOM 154 CB PRO A 12 -8.093 11.756 -12.323 1.00 0.00 C ATOM 155 CG PRO A 12 -6.839 12.561 -12.308 1.00 0.00 C ATOM 156 CD PRO A 12 -6.647 13.003 -10.884 1.00 0.00 C ATOM 0 HA PRO A 12 -9.134 10.920 -10.563 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -8.087 11.028 -13.134 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -8.968 12.389 -12.470 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -5.991 11.968 -12.650 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -6.918 13.419 -12.976 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -5.591 13.072 -10.623 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -7.084 13.985 -10.706 1.00 0.00 H new ATOM 164 N GLY A 13 -8.094 8.736 -10.285 1.00 0.00 N ATOM 165 CA GLY A 13 -7.605 7.369 -10.298 1.00 0.00 C ATOM 166 C GLY A 13 -7.259 6.864 -8.912 1.00 0.00 C ATOM 167 O GLY A 13 -6.299 6.113 -8.739 1.00 0.00 O ATOM 0 H GLY A 13 -8.878 8.905 -9.655 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -8.361 6.720 -10.739 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -6.722 7.308 -10.934 1.00 0.00 H new ATOM 171 N ASP A 14 -8.042 7.277 -7.921 1.00 0.00 N ATOM 172 CA ASP A 14 -7.813 6.862 -6.542 1.00 0.00 C ATOM 173 C ASP A 14 -9.127 6.490 -5.862 1.00 0.00 C ATOM 174 O ASP A 14 -10.150 7.141 -6.070 1.00 0.00 O ATOM 175 CB ASP A 14 -7.118 7.977 -5.760 1.00 0.00 C ATOM 176 CG ASP A 14 -5.639 8.074 -6.081 1.00 0.00 C ATOM 177 OD1 ASP A 14 -5.010 7.019 -6.305 1.00 0.00 O ATOM 178 OD2 ASP A 14 -5.111 9.206 -6.108 1.00 0.00 O ATOM 0 H ASP A 14 -8.841 7.899 -8.047 1.00 0.00 H new ATOM 0 HA ASP A 14 -7.169 5.983 -6.555 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -7.599 8.929 -5.985 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -7.244 7.801 -4.692 1.00 0.00 H new ATOM 183 N GLU A 15 -9.089 5.438 -5.049 1.00 0.00 N ATOM 184 CA GLU A 15 -10.278 4.979 -4.341 1.00 0.00 C ATOM 185 C GLU A 15 -10.508 5.800 -3.075 1.00 0.00 C ATOM 186 O GLU A 15 -9.612 5.938 -2.241 1.00 0.00 O ATOM 187 CB GLU A 15 -10.145 3.497 -3.983 1.00 0.00 C ATOM 188 CG GLU A 15 -9.914 2.599 -5.187 1.00 0.00 C ATOM 189 CD GLU A 15 -9.108 1.361 -4.846 1.00 0.00 C ATOM 190 OE1 GLU A 15 -7.950 1.509 -4.402 1.00 0.00 O ATOM 191 OE2 GLU A 15 -9.637 0.243 -5.021 1.00 0.00 O ATOM 0 H GLU A 15 -8.249 4.889 -4.865 1.00 0.00 H new ATOM 0 HA GLU A 15 -11.136 5.111 -5.000 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -9.318 3.373 -3.284 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -11.049 3.174 -3.467 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -10.876 2.299 -5.601 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -9.396 3.163 -5.962 1.00 0.00 H new ATOM 198 N CYS A 16 -11.713 6.342 -2.940 1.00 0.00 N ATOM 199 CA CYS A 16 -12.061 7.151 -1.777 1.00 0.00 C ATOM 200 C CYS A 16 -13.545 7.021 -1.449 1.00 0.00 C ATOM 201 O CYS A 16 -14.327 6.510 -2.252 1.00 0.00 O ATOM 202 CB CYS A 16 -11.708 8.617 -2.025 1.00 0.00 C ATOM 203 SG CYS A 16 -12.484 9.325 -3.497 1.00 0.00 S ATOM 0 H CYS A 16 -12.465 6.236 -3.621 1.00 0.00 H new ATOM 0 HA CYS A 16 -11.486 6.786 -0.926 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -12.003 9.203 -1.155 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -10.626 8.708 -2.119 1.00 0.00 H new ATOM 0 HG CYS A 16 -13.714 9.647 -3.227 1.00 0.00 H new ATOM 209 N PHE A 17 -13.927 7.487 -0.265 1.00 0.00 N ATOM 210 CA PHE A 17 -15.318 7.421 0.170 1.00 0.00 C ATOM 211 C PHE A 17 -16.005 8.772 0.002 1.00 0.00 C ATOM 212 O PHE A 17 -15.632 9.755 0.641 1.00 0.00 O ATOM 213 CB PHE A 17 -15.396 6.975 1.632 1.00 0.00 C ATOM 214 CG PHE A 17 -15.458 5.484 1.802 1.00 0.00 C ATOM 215 CD1 PHE A 17 -14.318 4.709 1.660 1.00 0.00 C ATOM 216 CD2 PHE A 17 -16.656 4.857 2.104 1.00 0.00 C ATOM 217 CE1 PHE A 17 -14.372 3.337 1.815 1.00 0.00 C ATOM 218 CE2 PHE A 17 -16.716 3.485 2.260 1.00 0.00 C ATOM 219 CZ PHE A 17 -15.573 2.724 2.116 1.00 0.00 C ATOM 0 H PHE A 17 -13.294 7.914 0.411 1.00 0.00 H new ATOM 0 HA PHE A 17 -15.834 6.691 -0.454 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -14.527 7.358 2.167 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -16.277 7.422 2.093 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -13.376 5.183 1.425 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -17.553 5.447 2.219 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -13.476 2.744 1.701 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -17.656 3.008 2.494 1.00 0.00 H new ATOM 0 HZ PHE A 17 -15.618 1.652 2.238 1.00 0.00 H new ATOM 229 N ALA A 18 -17.012 8.813 -0.865 1.00 0.00 N ATOM 230 CA ALA A 18 -17.753 10.042 -1.118 1.00 0.00 C ATOM 231 C ALA A 18 -19.181 9.940 -0.594 1.00 0.00 C ATOM 232 O ALA A 18 -19.847 8.919 -0.772 1.00 0.00 O ATOM 233 CB ALA A 18 -17.756 10.361 -2.606 1.00 0.00 C ATOM 0 H ALA A 18 -17.333 8.009 -1.404 1.00 0.00 H new ATOM 0 HA ALA A 18 -17.255 10.852 -0.585 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -18.313 11.282 -2.780 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -16.730 10.487 -2.953 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -18.227 9.544 -3.152 1.00 0.00 H new ATOM 239 N LEU A 19 -19.647 11.003 0.052 1.00 0.00 N ATOM 240 CA LEU A 19 -20.998 11.032 0.603 1.00 0.00 C ATOM 241 C LEU A 19 -22.039 11.095 -0.511 1.00 0.00 C ATOM 242 O LEU A 19 -21.836 11.760 -1.527 1.00 0.00 O ATOM 243 CB LEU A 19 -21.162 12.232 1.538 1.00 0.00 C ATOM 244 CG LEU A 19 -22.144 12.050 2.696 1.00 0.00 C ATOM 245 CD1 LEU A 19 -21.562 11.118 3.748 1.00 0.00 C ATOM 246 CD2 LEU A 19 -22.499 13.396 3.311 1.00 0.00 C ATOM 0 H LEU A 19 -19.110 11.856 0.207 1.00 0.00 H new ATOM 0 HA LEU A 19 -21.153 10.114 1.169 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -20.185 12.481 1.952 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -21.485 13.088 0.945 1.00 0.00 H new ATOM 0 HG LEU A 19 -23.057 11.599 2.306 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -22.275 11.000 4.564 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -21.359 10.145 3.300 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -20.634 11.540 4.134 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -23.199 13.247 4.133 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -21.594 13.874 3.686 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -22.959 14.032 2.554 1.00 0.00 H new ATOM 258 N TYR A 20 -23.153 10.400 -0.311 1.00 0.00 N ATOM 259 CA TYR A 20 -24.226 10.376 -1.299 1.00 0.00 C ATOM 260 C TYR A 20 -25.082 11.635 -1.203 1.00 0.00 C ATOM 261 O TYR A 20 -25.055 12.343 -0.196 1.00 0.00 O ATOM 262 CB TYR A 20 -25.100 9.136 -1.103 1.00 0.00 C ATOM 263 CG TYR A 20 -25.735 8.635 -2.380 1.00 0.00 C ATOM 264 CD1 TYR A 20 -24.992 8.515 -3.548 1.00 0.00 C ATOM 265 CD2 TYR A 20 -27.078 8.281 -2.419 1.00 0.00 C ATOM 266 CE1 TYR A 20 -25.568 8.058 -4.717 1.00 0.00 C ATOM 267 CE2 TYR A 20 -27.662 7.822 -3.584 1.00 0.00 C ATOM 268 CZ TYR A 20 -26.903 7.713 -4.730 1.00 0.00 C ATOM 269 OH TYR A 20 -27.481 7.256 -5.893 1.00 0.00 O ATOM 0 H TYR A 20 -23.337 9.846 0.525 1.00 0.00 H new ATOM 0 HA TYR A 20 -23.773 10.340 -2.290 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -24.494 8.339 -0.672 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -25.885 9.365 -0.382 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -23.946 8.784 -3.542 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -27.676 8.366 -1.523 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -24.976 7.971 -5.616 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -28.707 7.550 -3.597 1.00 0.00 H new ATOM 0 HH TYR A 20 -28.427 7.056 -5.732 1.00 0.00 H new ATOM 279 N TRP A 21 -25.840 11.908 -2.259 1.00 0.00 N ATOM 280 CA TRP A 21 -26.706 13.081 -2.295 1.00 0.00 C ATOM 281 C TRP A 21 -28.153 12.700 -2.005 1.00 0.00 C ATOM 282 O TRP A 21 -29.028 13.562 -1.929 1.00 0.00 O ATOM 283 CB TRP A 21 -26.610 13.769 -3.658 1.00 0.00 C ATOM 284 CG TRP A 21 -27.103 12.917 -4.789 1.00 0.00 C ATOM 285 CD1 TRP A 21 -26.363 12.062 -5.554 1.00 0.00 C ATOM 286 CD2 TRP A 21 -28.445 12.842 -5.283 1.00 0.00 C ATOM 287 NE1 TRP A 21 -27.163 11.459 -6.494 1.00 0.00 N ATOM 288 CE2 TRP A 21 -28.445 11.919 -6.348 1.00 0.00 C ATOM 289 CE3 TRP A 21 -29.646 13.462 -4.928 1.00 0.00 C ATOM 290 CZ2 TRP A 21 -29.600 11.605 -7.059 1.00 0.00 C ATOM 291 CZ3 TRP A 21 -30.791 13.149 -5.636 1.00 0.00 C ATOM 292 CH2 TRP A 21 -30.762 12.227 -6.691 1.00 0.00 C ATOM 0 H TRP A 21 -25.873 11.333 -3.101 1.00 0.00 H new ATOM 0 HA TRP A 21 -26.371 13.772 -1.522 1.00 0.00 H new ATOM 0 HB2 TRP A 21 -27.186 14.694 -3.632 1.00 0.00 H new ATOM 0 HB3 TRP A 21 -25.572 14.045 -3.846 1.00 0.00 H new ATOM 0 HD1 TRP A 21 -25.304 11.886 -5.437 1.00 0.00 H new ATOM 0 HE1 TRP A 21 -26.853 10.779 -7.188 1.00 0.00 H new ATOM 0 HE3 TRP A 21 -29.679 14.173 -4.115 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 -29.580 10.895 -7.873 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 -31.725 13.623 -5.372 1.00 0.00 H new ATOM 0 HH2 TRP A 21 -31.674 12.003 -7.224 1.00 0.00 H new ATOM 303 N GLU A 22 -28.398 11.403 -1.844 1.00 0.00 N ATOM 304 CA GLU A 22 -29.741 10.910 -1.563 1.00 0.00 C ATOM 305 C GLU A 22 -29.781 10.173 -0.227 1.00 0.00 C ATOM 306 O GLU A 22 -30.848 9.780 0.246 1.00 0.00 O ATOM 307 CB GLU A 22 -30.212 9.981 -2.684 1.00 0.00 C ATOM 308 CG GLU A 22 -30.912 10.707 -3.821 1.00 0.00 C ATOM 309 CD GLU A 22 -31.680 9.766 -4.729 1.00 0.00 C ATOM 310 OE1 GLU A 22 -31.053 8.851 -5.303 1.00 0.00 O ATOM 311 OE2 GLU A 22 -32.908 9.945 -4.865 1.00 0.00 O ATOM 0 H GLU A 22 -27.685 10.676 -1.903 1.00 0.00 H new ATOM 0 HA GLU A 22 -30.411 11.768 -1.506 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -29.353 9.442 -3.083 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -30.890 9.237 -2.267 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -31.597 11.447 -3.407 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -30.173 11.251 -4.409 1.00 0.00 H new ATOM 318 N ASP A 23 -28.612 9.988 0.375 1.00 0.00 N ATOM 319 CA ASP A 23 -28.512 9.299 1.656 1.00 0.00 C ATOM 320 C ASP A 23 -27.647 10.090 2.633 1.00 0.00 C ATOM 321 O ASP A 23 -27.907 10.105 3.835 1.00 0.00 O ATOM 322 CB ASP A 23 -27.931 7.897 1.462 1.00 0.00 C ATOM 323 CG ASP A 23 -28.600 7.146 0.327 1.00 0.00 C ATOM 324 OD1 ASP A 23 -29.828 7.299 0.157 1.00 0.00 O ATOM 325 OD2 ASP A 23 -27.896 6.406 -0.391 1.00 0.00 O ATOM 0 H ASP A 23 -27.720 10.306 -0.004 1.00 0.00 H new ATOM 0 HA ASP A 23 -29.515 9.214 2.073 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -26.862 7.974 1.263 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -28.043 7.329 2.386 1.00 0.00 H new ATOM 330 N ASN A 24 -26.617 10.745 2.107 1.00 0.00 N ATOM 331 CA ASN A 24 -25.713 11.537 2.933 1.00 0.00 C ATOM 332 C ASN A 24 -24.798 10.635 3.756 1.00 0.00 C ATOM 333 O ASN A 24 -24.331 11.019 4.829 1.00 0.00 O ATOM 334 CB ASN A 24 -26.509 12.458 3.859 1.00 0.00 C ATOM 335 CG ASN A 24 -27.725 13.054 3.176 1.00 0.00 C ATOM 336 OD1 ASN A 24 -27.601 13.916 2.306 1.00 0.00 O ATOM 337 ND2 ASN A 24 -28.908 12.596 3.569 1.00 0.00 N ATOM 0 H ASN A 24 -26.388 10.743 1.113 1.00 0.00 H new ATOM 0 HA ASN A 24 -25.095 12.145 2.272 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -26.828 11.898 4.738 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -25.863 13.262 4.211 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -29.762 12.960 3.146 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -28.963 11.881 4.294 1.00 0.00 H new ATOM 344 N LYS A 25 -24.546 9.434 3.248 1.00 0.00 N ATOM 345 CA LYS A 25 -23.687 8.477 3.934 1.00 0.00 C ATOM 346 C LYS A 25 -22.404 8.234 3.144 1.00 0.00 C ATOM 347 O LYS A 25 -22.362 8.439 1.931 1.00 0.00 O ATOM 348 CB LYS A 25 -24.427 7.154 4.143 1.00 0.00 C ATOM 349 CG LYS A 25 -25.400 7.180 5.310 1.00 0.00 C ATOM 350 CD LYS A 25 -25.566 5.802 5.928 1.00 0.00 C ATOM 351 CE LYS A 25 -26.898 5.672 6.651 1.00 0.00 C ATOM 352 NZ LYS A 25 -27.045 6.688 7.729 1.00 0.00 N ATOM 0 H LYS A 25 -24.925 9.100 2.362 1.00 0.00 H new ATOM 0 HA LYS A 25 -23.422 8.896 4.905 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -24.971 6.904 3.232 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -23.697 6.361 4.306 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -25.043 7.879 6.067 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -26.369 7.546 4.969 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -25.498 5.042 5.149 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -24.751 5.615 6.628 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -27.712 5.782 5.935 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -26.983 4.673 7.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -27.909 6.493 8.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -26.220 6.646 8.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -27.109 7.636 7.306 1.00 0.00 H new ATOM 366 N PHE A 26 -21.361 7.795 3.840 1.00 0.00 N ATOM 367 CA PHE A 26 -20.077 7.524 3.204 1.00 0.00 C ATOM 368 C PHE A 26 -20.115 6.201 2.444 1.00 0.00 C ATOM 369 O PHE A 26 -20.390 5.149 3.021 1.00 0.00 O ATOM 370 CB PHE A 26 -18.962 7.491 4.251 1.00 0.00 C ATOM 371 CG PHE A 26 -18.643 8.840 4.829 1.00 0.00 C ATOM 372 CD1 PHE A 26 -18.116 9.843 4.033 1.00 0.00 C ATOM 373 CD2 PHE A 26 -18.871 9.105 6.170 1.00 0.00 C ATOM 374 CE1 PHE A 26 -17.821 11.085 4.563 1.00 0.00 C ATOM 375 CE2 PHE A 26 -18.579 10.345 6.706 1.00 0.00 C ATOM 376 CZ PHE A 26 -18.054 11.337 5.901 1.00 0.00 C ATOM 0 H PHE A 26 -21.380 7.619 4.845 1.00 0.00 H new ATOM 0 HA PHE A 26 -19.876 8.326 2.494 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -19.252 6.818 5.058 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -18.061 7.076 3.798 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -17.933 9.653 2.986 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -19.282 8.333 6.804 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -17.409 11.858 3.931 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -18.761 10.538 7.753 1.00 0.00 H new ATOM 0 HZ PHE A 26 -17.826 12.307 6.317 1.00 0.00 H new ATOM 386 N TYR A 27 -19.839 6.264 1.146 1.00 0.00 N ATOM 387 CA TYR A 27 -19.845 5.073 0.305 1.00 0.00 C ATOM 388 C TYR A 27 -18.584 5.005 -0.552 1.00 0.00 C ATOM 389 O TYR A 27 -18.046 6.031 -0.966 1.00 0.00 O ATOM 390 CB TYR A 27 -21.085 5.060 -0.590 1.00 0.00 C ATOM 391 CG TYR A 27 -22.378 4.865 0.169 1.00 0.00 C ATOM 392 CD1 TYR A 27 -22.498 3.871 1.132 1.00 0.00 C ATOM 393 CD2 TYR A 27 -23.479 5.676 -0.076 1.00 0.00 C ATOM 394 CE1 TYR A 27 -23.678 3.689 1.828 1.00 0.00 C ATOM 395 CE2 TYR A 27 -24.663 5.502 0.616 1.00 0.00 C ATOM 396 CZ TYR A 27 -24.757 4.507 1.566 1.00 0.00 C ATOM 397 OH TYR A 27 -25.933 4.330 2.258 1.00 0.00 O ATOM 0 H TYR A 27 -19.608 7.127 0.654 1.00 0.00 H new ATOM 0 HA TYR A 27 -19.867 4.200 0.957 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -21.135 5.999 -1.141 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -20.982 4.263 -1.327 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -21.655 3.229 1.340 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -23.409 6.456 -0.820 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -23.755 2.911 2.573 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -25.509 6.142 0.414 1.00 0.00 H new ATOM 0 HH TYR A 27 -26.593 4.988 1.955 1.00 0.00 H new ATOM 407 N ARG A 28 -18.121 3.787 -0.815 1.00 0.00 N ATOM 408 CA ARG A 28 -16.924 3.584 -1.622 1.00 0.00 C ATOM 409 C ARG A 28 -17.056 4.277 -2.975 1.00 0.00 C ATOM 410 O ARG A 28 -18.144 4.344 -3.546 1.00 0.00 O ATOM 411 CB ARG A 28 -16.668 2.089 -1.826 1.00 0.00 C ATOM 412 CG ARG A 28 -15.231 1.762 -2.194 1.00 0.00 C ATOM 413 CD ARG A 28 -14.366 1.583 -0.956 1.00 0.00 C ATOM 414 NE ARG A 28 -13.124 0.874 -1.254 1.00 0.00 N ATOM 415 CZ ARG A 28 -13.052 -0.441 -1.427 1.00 0.00 C ATOM 416 NH1 ARG A 28 -14.145 -1.186 -1.333 1.00 0.00 N ATOM 417 NH2 ARG A 28 -11.886 -1.014 -1.695 1.00 0.00 N ATOM 0 H ARG A 28 -18.556 2.927 -0.481 1.00 0.00 H new ATOM 0 HA ARG A 28 -16.079 4.021 -1.090 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -16.930 1.556 -0.912 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -17.328 1.720 -2.611 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -15.206 0.851 -2.792 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -14.822 2.561 -2.813 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -14.133 2.560 -0.532 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -14.925 1.032 -0.200 1.00 0.00 H new ATOM 0 HE ARG A 28 -12.265 1.419 -1.334 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -15.044 -0.749 -1.127 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -14.087 -2.196 -1.466 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -11.043 -0.445 -1.768 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -11.833 -2.024 -1.828 1.00 0.00 H new ATOM 431 N ALA A 29 -15.940 4.792 -3.482 1.00 0.00 N ATOM 432 CA ALA A 29 -15.931 5.479 -4.767 1.00 0.00 C ATOM 433 C ALA A 29 -14.509 5.644 -5.292 1.00 0.00 C ATOM 434 O ALA A 29 -13.555 5.152 -4.689 1.00 0.00 O ATOM 435 CB ALA A 29 -16.612 6.835 -4.646 1.00 0.00 C ATOM 0 H ALA A 29 -15.031 4.746 -3.022 1.00 0.00 H new ATOM 0 HA ALA A 29 -16.485 4.869 -5.481 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -16.598 7.337 -5.613 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -17.644 6.696 -4.324 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -16.082 7.444 -3.914 1.00 0.00 H new ATOM 441 N GLU A 30 -14.375 6.338 -6.418 1.00 0.00 N ATOM 442 CA GLU A 30 -13.068 6.565 -7.023 1.00 0.00 C ATOM 443 C GLU A 30 -13.031 7.905 -7.752 1.00 0.00 C ATOM 444 O GLU A 30 -13.757 8.115 -8.725 1.00 0.00 O ATOM 445 CB GLU A 30 -12.727 5.433 -7.995 1.00 0.00 C ATOM 446 CG GLU A 30 -11.334 5.541 -8.591 1.00 0.00 C ATOM 447 CD GLU A 30 -11.216 4.842 -9.931 1.00 0.00 C ATOM 448 OE1 GLU A 30 -12.099 5.051 -10.789 1.00 0.00 O ATOM 449 OE2 GLU A 30 -10.241 4.086 -10.122 1.00 0.00 O ATOM 0 H GLU A 30 -15.155 6.752 -6.929 1.00 0.00 H new ATOM 0 HA GLU A 30 -12.326 6.585 -6.225 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -12.817 4.479 -7.475 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -13.459 5.426 -8.803 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -11.075 6.593 -8.710 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -10.612 5.111 -7.897 1.00 0.00 H new ATOM 456 N VAL A 31 -12.182 8.809 -7.275 1.00 0.00 N ATOM 457 CA VAL A 31 -12.050 10.129 -7.881 1.00 0.00 C ATOM 458 C VAL A 31 -11.951 10.029 -9.399 1.00 0.00 C ATOM 459 O VAL A 31 -10.913 9.649 -9.939 1.00 0.00 O ATOM 460 CB VAL A 31 -10.811 10.871 -7.344 1.00 0.00 C ATOM 461 CG1 VAL A 31 -10.662 12.223 -8.025 1.00 0.00 C ATOM 462 CG2 VAL A 31 -10.899 11.032 -5.834 1.00 0.00 C ATOM 0 H VAL A 31 -11.575 8.652 -6.471 1.00 0.00 H new ATOM 0 HA VAL A 31 -12.945 10.691 -7.615 1.00 0.00 H new ATOM 0 HB VAL A 31 -9.926 10.277 -7.572 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -9.782 12.733 -7.633 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -10.550 12.079 -9.100 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -11.548 12.828 -7.831 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -10.016 11.558 -5.472 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -11.791 11.604 -5.581 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -10.953 10.049 -5.366 1.00 0.00 H new ATOM 472 N GLU A 32 -13.039 10.374 -10.081 1.00 0.00 N ATOM 473 CA GLU A 32 -13.075 10.322 -11.537 1.00 0.00 C ATOM 474 C GLU A 32 -12.276 11.474 -12.142 1.00 0.00 C ATOM 475 O GLU A 32 -11.405 11.263 -12.985 1.00 0.00 O ATOM 476 CB GLU A 32 -14.521 10.373 -12.036 1.00 0.00 C ATOM 477 CG GLU A 32 -14.697 9.835 -13.446 1.00 0.00 C ATOM 478 CD GLU A 32 -14.184 10.793 -14.504 1.00 0.00 C ATOM 479 OE1 GLU A 32 -14.818 11.849 -14.706 1.00 0.00 O ATOM 480 OE2 GLU A 32 -13.148 10.485 -15.130 1.00 0.00 O ATOM 0 H GLU A 32 -13.906 10.692 -9.648 1.00 0.00 H new ATOM 0 HA GLU A 32 -12.622 9.382 -11.853 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -15.152 9.800 -11.356 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -14.872 11.405 -12.003 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -14.171 8.884 -13.536 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -15.753 9.634 -13.625 1.00 0.00 H new ATOM 487 N ALA A 33 -12.581 12.691 -11.705 1.00 0.00 N ATOM 488 CA ALA A 33 -11.892 13.876 -12.201 1.00 0.00 C ATOM 489 C ALA A 33 -12.222 15.099 -11.352 1.00 0.00 C ATOM 490 O ALA A 33 -13.390 15.380 -11.078 1.00 0.00 O ATOM 491 CB ALA A 33 -12.256 14.127 -13.656 1.00 0.00 C ATOM 0 H ALA A 33 -13.301 12.882 -11.008 1.00 0.00 H new ATOM 0 HA ALA A 33 -10.819 13.698 -12.132 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -11.735 15.015 -14.014 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -11.963 13.267 -14.258 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -13.332 14.279 -13.741 1.00 0.00 H new ATOM 497 N LEU A 34 -11.188 15.822 -10.938 1.00 0.00 N ATOM 498 CA LEU A 34 -11.368 17.016 -10.119 1.00 0.00 C ATOM 499 C LEU A 34 -11.779 18.208 -10.977 1.00 0.00 C ATOM 500 O LEU A 34 -11.709 18.156 -12.205 1.00 0.00 O ATOM 501 CB LEU A 34 -10.079 17.339 -9.362 1.00 0.00 C ATOM 502 CG LEU A 34 -9.378 16.155 -8.695 1.00 0.00 C ATOM 503 CD1 LEU A 34 -7.876 16.388 -8.636 1.00 0.00 C ATOM 504 CD2 LEU A 34 -9.939 15.918 -7.301 1.00 0.00 C ATOM 0 H LEU A 34 -10.216 15.603 -11.156 1.00 0.00 H new ATOM 0 HA LEU A 34 -12.163 16.817 -9.401 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -9.380 17.805 -10.057 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -10.307 18.079 -8.595 1.00 0.00 H new ATOM 0 HG LEU A 34 -9.563 15.264 -9.294 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -7.394 15.535 -8.158 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -7.486 16.506 -9.647 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -7.670 17.290 -8.060 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -9.428 15.072 -6.842 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -9.786 16.808 -6.691 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -11.006 15.704 -7.370 1.00 0.00 H new ATOM 516 N HIS A 35 -12.208 19.283 -10.322 1.00 0.00 N ATOM 517 CA HIS A 35 -12.627 20.490 -11.025 1.00 0.00 C ATOM 518 C HIS A 35 -11.426 21.369 -11.360 1.00 0.00 C ATOM 519 O HIS A 35 -10.331 21.167 -10.835 1.00 0.00 O ATOM 520 CB HIS A 35 -13.629 21.276 -10.179 1.00 0.00 C ATOM 521 CG HIS A 35 -14.369 22.326 -10.949 1.00 0.00 C ATOM 522 ND1 HIS A 35 -14.539 23.616 -10.490 1.00 0.00 N ATOM 523 CD2 HIS A 35 -14.984 22.273 -12.154 1.00 0.00 C ATOM 524 CE1 HIS A 35 -15.228 24.309 -11.379 1.00 0.00 C ATOM 525 NE2 HIS A 35 -15.510 23.518 -12.398 1.00 0.00 N ATOM 0 H HIS A 35 -12.274 19.342 -9.306 1.00 0.00 H new ATOM 0 HA HIS A 35 -13.106 20.190 -11.957 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -14.348 20.582 -9.744 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -13.101 21.749 -9.351 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -15.049 21.412 -12.803 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -15.512 25.347 -11.288 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -16.033 23.788 -13.231 1.00 0.00 H new ATOM 534 N SER A 36 -11.639 22.345 -12.237 1.00 0.00 N ATOM 535 CA SER A 36 -10.573 23.252 -12.645 1.00 0.00 C ATOM 536 C SER A 36 -10.211 24.209 -11.514 1.00 0.00 C ATOM 537 O SER A 36 -9.038 24.509 -11.291 1.00 0.00 O ATOM 538 CB SER A 36 -10.996 24.045 -13.883 1.00 0.00 C ATOM 539 OG SER A 36 -10.037 25.038 -14.205 1.00 0.00 O ATOM 0 H SER A 36 -12.540 22.528 -12.678 1.00 0.00 H new ATOM 0 HA SER A 36 -9.694 22.654 -12.887 1.00 0.00 H new ATOM 0 HB2 SER A 36 -11.120 23.367 -14.728 1.00 0.00 H new ATOM 0 HB3 SER A 36 -11.964 24.514 -13.705 1.00 0.00 H new ATOM 0 HG SER A 36 -10.330 25.530 -15.001 1.00 0.00 H new ATOM 545 N SER A 37 -11.228 24.685 -10.802 1.00 0.00 N ATOM 546 CA SER A 37 -11.018 25.612 -9.695 1.00 0.00 C ATOM 547 C SER A 37 -10.378 24.902 -8.506 1.00 0.00 C ATOM 548 O SER A 37 -9.205 25.113 -8.201 1.00 0.00 O ATOM 549 CB SER A 37 -12.347 26.242 -9.272 1.00 0.00 C ATOM 550 OG SER A 37 -12.623 27.407 -10.030 1.00 0.00 O ATOM 0 H SER A 37 -12.205 24.444 -10.972 1.00 0.00 H new ATOM 0 HA SER A 37 -10.342 26.397 -10.034 1.00 0.00 H new ATOM 0 HB2 SER A 37 -13.153 25.520 -9.402 1.00 0.00 H new ATOM 0 HB3 SER A 37 -12.313 26.494 -8.212 1.00 0.00 H new ATOM 0 HG SER A 37 -13.478 27.790 -9.742 1.00 0.00 H new ATOM 556 N GLY A 38 -11.158 24.057 -7.838 1.00 0.00 N ATOM 557 CA GLY A 38 -10.651 23.329 -6.690 1.00 0.00 C ATOM 558 C GLY A 38 -11.640 23.294 -5.542 1.00 0.00 C ATOM 559 O GLY A 38 -11.324 23.711 -4.429 1.00 0.00 O ATOM 0 H GLY A 38 -12.132 23.864 -8.072 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -10.409 22.309 -6.988 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -9.723 23.790 -6.352 1.00 0.00 H new ATOM 563 N MET A 39 -12.842 22.796 -5.814 1.00 0.00 N ATOM 564 CA MET A 39 -13.881 22.708 -4.795 1.00 0.00 C ATOM 565 C MET A 39 -14.552 21.338 -4.818 1.00 0.00 C ATOM 566 O MET A 39 -14.529 20.607 -3.828 1.00 0.00 O ATOM 567 CB MET A 39 -14.927 23.805 -5.007 1.00 0.00 C ATOM 568 CG MET A 39 -14.505 25.160 -4.464 1.00 0.00 C ATOM 569 SD MET A 39 -15.892 26.297 -4.279 1.00 0.00 S ATOM 570 CE MET A 39 -16.033 26.933 -5.948 1.00 0.00 C ATOM 0 H MET A 39 -13.120 22.447 -6.731 1.00 0.00 H new ATOM 0 HA MET A 39 -13.412 22.846 -3.821 1.00 0.00 H new ATOM 0 HB2 MET A 39 -15.133 23.898 -6.073 1.00 0.00 H new ATOM 0 HB3 MET A 39 -15.859 23.505 -4.528 1.00 0.00 H new ATOM 0 HG2 MET A 39 -14.020 25.025 -3.497 1.00 0.00 H new ATOM 0 HG3 MET A 39 -13.766 25.601 -5.133 1.00 0.00 H new ATOM 0 HE1 MET A 39 -16.851 27.652 -5.996 1.00 0.00 H new ATOM 0 HE2 MET A 39 -15.102 27.424 -6.230 1.00 0.00 H new ATOM 0 HE3 MET A 39 -16.232 26.111 -6.635 1.00 0.00 H new ATOM 580 N THR A 40 -15.150 20.996 -5.956 1.00 0.00 N ATOM 581 CA THR A 40 -15.828 19.715 -6.107 1.00 0.00 C ATOM 582 C THR A 40 -15.071 18.802 -7.065 1.00 0.00 C ATOM 583 O THR A 40 -14.149 19.237 -7.754 1.00 0.00 O ATOM 584 CB THR A 40 -17.268 19.899 -6.622 1.00 0.00 C ATOM 585 OG1 THR A 40 -17.258 20.622 -7.858 1.00 0.00 O ATOM 586 CG2 THR A 40 -18.117 20.643 -5.601 1.00 0.00 C ATOM 0 H THR A 40 -15.178 21.589 -6.786 1.00 0.00 H new ATOM 0 HA THR A 40 -15.859 19.255 -5.119 1.00 0.00 H new ATOM 0 HB THR A 40 -17.702 18.912 -6.782 1.00 0.00 H new ATOM 0 HG1 THR A 40 -18.177 20.733 -8.179 1.00 0.00 H new ATOM 0 HG21 THR A 40 -19.130 20.761 -5.987 1.00 0.00 H new ATOM 0 HG22 THR A 40 -18.147 20.076 -4.670 1.00 0.00 H new ATOM 0 HG23 THR A 40 -17.683 21.625 -5.414 1.00 0.00 H new ATOM 594 N ALA A 41 -15.467 17.534 -7.103 1.00 0.00 N ATOM 595 CA ALA A 41 -14.827 16.560 -7.979 1.00 0.00 C ATOM 596 C ALA A 41 -15.786 15.429 -8.334 1.00 0.00 C ATOM 597 O ALA A 41 -16.600 15.010 -7.512 1.00 0.00 O ATOM 598 CB ALA A 41 -13.572 16.005 -7.323 1.00 0.00 C ATOM 0 H ALA A 41 -16.228 17.157 -6.538 1.00 0.00 H new ATOM 0 HA ALA A 41 -14.547 17.067 -8.902 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -13.104 15.279 -7.988 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -12.874 16.819 -7.126 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -13.837 15.519 -6.384 1.00 0.00 H new ATOM 604 N VAL A 42 -15.683 14.937 -9.565 1.00 0.00 N ATOM 605 CA VAL A 42 -16.541 13.853 -10.030 1.00 0.00 C ATOM 606 C VAL A 42 -16.053 12.505 -9.510 1.00 0.00 C ATOM 607 O VAL A 42 -14.981 12.033 -9.889 1.00 0.00 O ATOM 608 CB VAL A 42 -16.603 13.806 -11.568 1.00 0.00 C ATOM 609 CG1 VAL A 42 -17.467 12.644 -12.032 1.00 0.00 C ATOM 610 CG2 VAL A 42 -17.126 15.124 -12.120 1.00 0.00 C ATOM 0 H VAL A 42 -15.014 15.272 -10.258 1.00 0.00 H new ATOM 0 HA VAL A 42 -17.540 14.050 -9.640 1.00 0.00 H new ATOM 0 HB VAL A 42 -15.594 13.653 -11.951 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -17.499 12.627 -13.121 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -17.045 11.708 -11.667 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -18.477 12.763 -11.641 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -17.163 15.073 -13.208 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -18.127 15.310 -11.731 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -16.463 15.934 -11.817 1.00 0.00 H new ATOM 620 N VAL A 43 -16.847 11.889 -8.641 1.00 0.00 N ATOM 621 CA VAL A 43 -16.498 10.594 -8.070 1.00 0.00 C ATOM 622 C VAL A 43 -17.461 9.509 -8.538 1.00 0.00 C ATOM 623 O VAL A 43 -18.664 9.742 -8.660 1.00 0.00 O ATOM 624 CB VAL A 43 -16.501 10.640 -6.530 1.00 0.00 C ATOM 625 CG1 VAL A 43 -15.386 11.540 -6.020 1.00 0.00 C ATOM 626 CG2 VAL A 43 -17.854 11.109 -6.015 1.00 0.00 C ATOM 0 H VAL A 43 -17.737 12.266 -8.317 1.00 0.00 H new ATOM 0 HA VAL A 43 -15.492 10.356 -8.417 1.00 0.00 H new ATOM 0 HB VAL A 43 -16.323 9.633 -6.153 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -15.404 11.560 -4.930 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -14.424 11.156 -6.360 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -15.529 12.550 -6.404 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -17.839 11.136 -4.925 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -18.064 12.107 -6.400 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -18.630 10.420 -6.350 1.00 0.00 H new ATOM 636 N LYS A 44 -16.925 8.322 -8.798 1.00 0.00 N ATOM 637 CA LYS A 44 -17.736 7.198 -9.251 1.00 0.00 C ATOM 638 C LYS A 44 -17.947 6.190 -8.125 1.00 0.00 C ATOM 639 O LYS A 44 -16.988 5.724 -7.509 1.00 0.00 O ATOM 640 CB LYS A 44 -17.072 6.512 -10.446 1.00 0.00 C ATOM 641 CG LYS A 44 -18.046 5.753 -11.330 1.00 0.00 C ATOM 642 CD LYS A 44 -17.373 5.245 -12.594 1.00 0.00 C ATOM 643 CE LYS A 44 -16.764 3.866 -12.386 1.00 0.00 C ATOM 644 NZ LYS A 44 -16.083 3.370 -13.614 1.00 0.00 N ATOM 0 H LYS A 44 -15.931 8.113 -8.703 1.00 0.00 H new ATOM 0 HA LYS A 44 -18.709 7.584 -9.556 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -16.559 7.263 -11.046 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -16.311 5.822 -10.081 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -18.463 4.912 -10.775 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -18.879 6.403 -11.597 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -18.101 5.204 -13.404 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -16.595 5.945 -12.900 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -16.049 3.905 -11.565 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -17.545 3.164 -12.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -15.681 2.428 -13.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -16.771 3.309 -14.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -15.321 4.026 -13.877 1.00 0.00 H new ATOM 658 N PHE A 45 -19.206 5.857 -7.863 1.00 0.00 N ATOM 659 CA PHE A 45 -19.542 4.904 -6.811 1.00 0.00 C ATOM 660 C PHE A 45 -19.401 3.470 -7.313 1.00 0.00 C ATOM 661 O PHE A 45 -19.953 3.106 -8.352 1.00 0.00 O ATOM 662 CB PHE A 45 -20.968 5.144 -6.312 1.00 0.00 C ATOM 663 CG PHE A 45 -21.095 6.344 -5.417 1.00 0.00 C ATOM 664 CD1 PHE A 45 -20.567 6.328 -4.136 1.00 0.00 C ATOM 665 CD2 PHE A 45 -21.744 7.486 -5.856 1.00 0.00 C ATOM 666 CE1 PHE A 45 -20.682 7.430 -3.310 1.00 0.00 C ATOM 667 CE2 PHE A 45 -21.862 8.592 -5.034 1.00 0.00 C ATOM 668 CZ PHE A 45 -21.331 8.563 -3.759 1.00 0.00 C ATOM 0 H PHE A 45 -20.011 6.233 -8.364 1.00 0.00 H new ATOM 0 HA PHE A 45 -18.847 5.052 -5.985 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -21.629 5.269 -7.170 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -21.309 4.260 -5.773 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -20.060 5.444 -3.779 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -22.163 7.513 -6.851 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -20.265 7.405 -2.314 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -22.369 9.477 -5.389 1.00 0.00 H new ATOM 0 HZ PHE A 45 -21.423 9.425 -3.115 1.00 0.00 H new ATOM 678 N THR A 46 -18.658 2.658 -6.567 1.00 0.00 N ATOM 679 CA THR A 46 -18.443 1.264 -6.935 1.00 0.00 C ATOM 680 C THR A 46 -19.734 0.461 -6.825 1.00 0.00 C ATOM 681 O THR A 46 -19.950 -0.490 -7.576 1.00 0.00 O ATOM 682 CB THR A 46 -17.367 0.609 -6.049 1.00 0.00 C ATOM 683 OG1 THR A 46 -16.755 -0.481 -6.747 1.00 0.00 O ATOM 684 CG2 THR A 46 -17.970 0.109 -4.746 1.00 0.00 C ATOM 0 H THR A 46 -18.195 2.942 -5.704 1.00 0.00 H new ATOM 0 HA THR A 46 -18.103 1.259 -7.971 1.00 0.00 H new ATOM 0 HB THR A 46 -16.612 1.360 -5.816 1.00 0.00 H new ATOM 0 HG1 THR A 46 -16.071 -0.891 -6.178 1.00 0.00 H new ATOM 0 HG21 THR A 46 -17.191 -0.350 -4.137 1.00 0.00 H new ATOM 0 HG22 THR A 46 -18.409 0.946 -4.203 1.00 0.00 H new ATOM 0 HG23 THR A 46 -18.743 -0.629 -4.962 1.00 0.00 H new ATOM 692 N ASP A 47 -20.589 0.850 -5.885 1.00 0.00 N ATOM 693 CA ASP A 47 -21.860 0.166 -5.678 1.00 0.00 C ATOM 694 C ASP A 47 -22.514 -0.180 -7.012 1.00 0.00 C ATOM 695 O ASP A 47 -22.978 -1.303 -7.214 1.00 0.00 O ATOM 696 CB ASP A 47 -22.802 1.037 -4.845 1.00 0.00 C ATOM 697 CG ASP A 47 -22.644 0.799 -3.356 1.00 0.00 C ATOM 698 OD1 ASP A 47 -22.942 -0.324 -2.899 1.00 0.00 O ATOM 699 OD2 ASP A 47 -22.221 1.737 -2.647 1.00 0.00 O ATOM 0 H ASP A 47 -20.425 1.635 -5.255 1.00 0.00 H new ATOM 0 HA ASP A 47 -21.663 -0.761 -5.139 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -22.611 2.087 -5.065 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -23.833 0.833 -5.135 1.00 0.00 H new ATOM 704 N TYR A 48 -22.549 0.791 -7.917 1.00 0.00 N ATOM 705 CA TYR A 48 -23.150 0.590 -9.231 1.00 0.00 C ATOM 706 C TYR A 48 -22.247 1.136 -10.332 1.00 0.00 C ATOM 707 O TYR A 48 -22.086 0.516 -11.383 1.00 0.00 O ATOM 708 CB TYR A 48 -24.520 1.267 -9.297 1.00 0.00 C ATOM 709 CG TYR A 48 -25.439 0.888 -8.157 1.00 0.00 C ATOM 710 CD1 TYR A 48 -25.418 1.590 -6.959 1.00 0.00 C ATOM 711 CD2 TYR A 48 -26.328 -0.173 -8.279 1.00 0.00 C ATOM 712 CE1 TYR A 48 -26.255 1.247 -5.914 1.00 0.00 C ATOM 713 CE2 TYR A 48 -27.170 -0.522 -7.241 1.00 0.00 C ATOM 714 CZ TYR A 48 -27.129 0.190 -6.060 1.00 0.00 C ATOM 715 OH TYR A 48 -27.965 -0.154 -5.023 1.00 0.00 O ATOM 0 H TYR A 48 -22.169 1.725 -7.766 1.00 0.00 H new ATOM 0 HA TYR A 48 -23.274 -0.482 -9.386 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -24.382 2.348 -9.297 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -24.999 1.007 -10.241 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -24.735 2.419 -6.842 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -26.361 -0.734 -9.201 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -26.225 1.803 -4.989 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -27.857 -1.348 -7.353 1.00 0.00 H new ATOM 0 HH TYR A 48 -28.518 -0.919 -5.288 1.00 0.00 H new ATOM 725 N GLY A 49 -21.659 2.302 -10.083 1.00 0.00 N ATOM 726 CA GLY A 49 -20.778 2.913 -11.061 1.00 0.00 C ATOM 727 C GLY A 49 -21.360 4.181 -11.653 1.00 0.00 C ATOM 728 O GLY A 49 -21.249 4.421 -12.854 1.00 0.00 O ATOM 0 H GLY A 49 -21.777 2.835 -9.221 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -19.821 3.141 -10.591 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -20.579 2.200 -11.861 1.00 0.00 H new ATOM 732 N ASN A 50 -21.985 4.994 -10.807 1.00 0.00 N ATOM 733 CA ASN A 50 -22.589 6.244 -11.255 1.00 0.00 C ATOM 734 C ASN A 50 -21.798 7.444 -10.744 1.00 0.00 C ATOM 735 O ASN A 50 -21.349 7.463 -9.597 1.00 0.00 O ATOM 736 CB ASN A 50 -24.039 6.334 -10.775 1.00 0.00 C ATOM 737 CG ASN A 50 -24.224 5.760 -9.383 1.00 0.00 C ATOM 738 OD1 ASN A 50 -24.450 4.561 -9.219 1.00 0.00 O ATOM 739 ND2 ASN A 50 -24.130 6.616 -8.373 1.00 0.00 N ATOM 0 H ASN A 50 -22.086 4.810 -9.809 1.00 0.00 H new ATOM 0 HA ASN A 50 -22.572 6.257 -12.345 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -24.357 7.377 -10.780 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -24.684 5.801 -11.474 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -24.246 6.288 -7.414 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -23.941 7.602 -8.556 1.00 0.00 H new ATOM 746 N TYR A 51 -21.630 8.443 -11.603 1.00 0.00 N ATOM 747 CA TYR A 51 -20.891 9.647 -11.240 1.00 0.00 C ATOM 748 C TYR A 51 -21.757 10.588 -10.409 1.00 0.00 C ATOM 749 O TYR A 51 -22.932 10.796 -10.711 1.00 0.00 O ATOM 750 CB TYR A 51 -20.398 10.366 -12.496 1.00 0.00 C ATOM 751 CG TYR A 51 -19.601 9.480 -13.428 1.00 0.00 C ATOM 752 CD1 TYR A 51 -18.351 8.999 -13.061 1.00 0.00 C ATOM 753 CD2 TYR A 51 -20.100 9.123 -14.674 1.00 0.00 C ATOM 754 CE1 TYR A 51 -17.619 8.190 -13.909 1.00 0.00 C ATOM 755 CE2 TYR A 51 -19.377 8.313 -15.528 1.00 0.00 C ATOM 756 CZ TYR A 51 -18.137 7.850 -15.141 1.00 0.00 C ATOM 757 OH TYR A 51 -17.412 7.043 -15.988 1.00 0.00 O ATOM 0 H TYR A 51 -21.995 8.443 -12.555 1.00 0.00 H new ATOM 0 HA TYR A 51 -20.032 9.348 -10.640 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -21.256 10.767 -13.035 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -19.782 11.215 -12.200 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -17.944 9.262 -12.096 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -21.070 9.485 -14.981 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -16.647 7.826 -13.609 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -19.780 8.044 -16.493 1.00 0.00 H new ATOM 0 HH TYR A 51 -17.918 6.898 -16.814 1.00 0.00 H new ATOM 767 N GLU A 52 -21.167 11.155 -9.361 1.00 0.00 N ATOM 768 CA GLU A 52 -21.885 12.075 -8.486 1.00 0.00 C ATOM 769 C GLU A 52 -20.995 13.246 -8.081 1.00 0.00 C ATOM 770 O GLU A 52 -19.855 13.056 -7.660 1.00 0.00 O ATOM 771 CB GLU A 52 -22.382 11.342 -7.238 1.00 0.00 C ATOM 772 CG GLU A 52 -23.651 10.539 -7.468 1.00 0.00 C ATOM 773 CD GLU A 52 -24.808 11.399 -7.938 1.00 0.00 C ATOM 774 OE1 GLU A 52 -24.790 12.618 -7.665 1.00 0.00 O ATOM 775 OE2 GLU A 52 -25.732 10.854 -8.578 1.00 0.00 O ATOM 0 H GLU A 52 -20.195 10.994 -9.097 1.00 0.00 H new ATOM 0 HA GLU A 52 -22.742 12.465 -9.035 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -21.598 10.673 -6.884 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -22.561 12.070 -6.447 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -23.456 9.763 -8.208 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -23.930 10.035 -6.543 1.00 0.00 H new ATOM 782 N GLU A 53 -21.526 14.458 -8.212 1.00 0.00 N ATOM 783 CA GLU A 53 -20.780 15.661 -7.862 1.00 0.00 C ATOM 784 C GLU A 53 -20.729 15.847 -6.348 1.00 0.00 C ATOM 785 O GLU A 53 -21.706 16.270 -5.730 1.00 0.00 O ATOM 786 CB GLU A 53 -21.413 16.890 -8.517 1.00 0.00 C ATOM 787 CG GLU A 53 -20.607 18.164 -8.327 1.00 0.00 C ATOM 788 CD GLU A 53 -21.231 19.358 -9.021 1.00 0.00 C ATOM 789 OE1 GLU A 53 -22.465 19.525 -8.922 1.00 0.00 O ATOM 790 OE2 GLU A 53 -20.485 20.127 -9.664 1.00 0.00 O ATOM 0 H GLU A 53 -22.470 14.632 -8.558 1.00 0.00 H new ATOM 0 HA GLU A 53 -19.761 15.546 -8.232 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -21.533 16.702 -9.584 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -22.411 17.037 -8.105 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -20.514 18.375 -7.262 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -19.598 18.012 -8.711 1.00 0.00 H new ATOM 797 N VAL A 54 -19.582 15.528 -5.757 1.00 0.00 N ATOM 798 CA VAL A 54 -19.402 15.660 -4.316 1.00 0.00 C ATOM 799 C VAL A 54 -18.195 16.534 -3.991 1.00 0.00 C ATOM 800 O VAL A 54 -17.208 16.547 -4.726 1.00 0.00 O ATOM 801 CB VAL A 54 -19.222 14.286 -3.644 1.00 0.00 C ATOM 802 CG1 VAL A 54 -19.585 14.361 -2.169 1.00 0.00 C ATOM 803 CG2 VAL A 54 -20.058 13.233 -4.355 1.00 0.00 C ATOM 0 H VAL A 54 -18.764 15.176 -6.254 1.00 0.00 H new ATOM 0 HA VAL A 54 -20.304 16.131 -3.926 1.00 0.00 H new ATOM 0 HB VAL A 54 -18.174 13.997 -3.720 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -19.452 13.381 -1.711 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -18.939 15.085 -1.672 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -20.625 14.671 -2.066 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -19.919 12.268 -3.867 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -21.110 13.514 -4.311 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -19.744 13.162 -5.396 1.00 0.00 H new ATOM 813 N LEU A 55 -18.282 17.264 -2.884 1.00 0.00 N ATOM 814 CA LEU A 55 -17.197 18.142 -2.460 1.00 0.00 C ATOM 815 C LEU A 55 -16.014 17.332 -1.938 1.00 0.00 C ATOM 816 O LEU A 55 -16.190 16.268 -1.344 1.00 0.00 O ATOM 817 CB LEU A 55 -17.687 19.106 -1.378 1.00 0.00 C ATOM 818 CG LEU A 55 -18.376 20.378 -1.874 1.00 0.00 C ATOM 819 CD1 LEU A 55 -19.403 20.859 -0.861 1.00 0.00 C ATOM 820 CD2 LEU A 55 -17.349 21.465 -2.153 1.00 0.00 C ATOM 0 H LEU A 55 -19.092 17.265 -2.264 1.00 0.00 H new ATOM 0 HA LEU A 55 -16.867 18.716 -3.326 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -18.380 18.571 -0.730 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -16.834 19.395 -0.764 1.00 0.00 H new ATOM 0 HG LEU A 55 -18.895 20.148 -2.805 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -19.883 21.765 -1.231 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -20.156 20.085 -0.711 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -18.908 21.072 0.086 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -17.856 22.363 -2.505 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -16.802 21.692 -1.238 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -16.652 21.119 -2.916 1.00 0.00 H new ATOM 832 N LEU A 56 -14.809 17.845 -2.161 1.00 0.00 N ATOM 833 CA LEU A 56 -13.596 17.171 -1.711 1.00 0.00 C ATOM 834 C LEU A 56 -13.544 17.102 -0.188 1.00 0.00 C ATOM 835 O LEU A 56 -12.863 16.250 0.382 1.00 0.00 O ATOM 836 CB LEU A 56 -12.359 17.896 -2.242 1.00 0.00 C ATOM 837 CG LEU A 56 -12.310 18.121 -3.754 1.00 0.00 C ATOM 838 CD1 LEU A 56 -11.255 19.159 -4.105 1.00 0.00 C ATOM 839 CD2 LEU A 56 -12.035 16.812 -4.479 1.00 0.00 C ATOM 0 H LEU A 56 -14.646 18.725 -2.650 1.00 0.00 H new ATOM 0 HA LEU A 56 -13.609 16.154 -2.102 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -12.291 18.865 -1.748 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -11.476 17.327 -1.951 1.00 0.00 H new ATOM 0 HG LEU A 56 -13.281 18.496 -4.078 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -11.234 19.306 -5.185 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -11.496 20.102 -3.615 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -10.278 18.813 -3.767 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -12.004 16.991 -5.554 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -11.077 16.408 -4.150 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -12.827 16.098 -4.253 1.00 0.00 H new ATOM 851 N SER A 57 -14.271 18.003 0.465 1.00 0.00 N ATOM 852 CA SER A 57 -14.307 18.045 1.922 1.00 0.00 C ATOM 853 C SER A 57 -15.161 16.910 2.478 1.00 0.00 C ATOM 854 O SER A 57 -15.066 16.566 3.655 1.00 0.00 O ATOM 855 CB SER A 57 -14.855 19.391 2.401 1.00 0.00 C ATOM 856 OG SER A 57 -14.424 19.677 3.720 1.00 0.00 O ATOM 0 H SER A 57 -14.843 18.713 0.008 1.00 0.00 H new ATOM 0 HA SER A 57 -13.288 17.923 2.289 1.00 0.00 H new ATOM 0 HB2 SER A 57 -14.525 20.182 1.728 1.00 0.00 H new ATOM 0 HB3 SER A 57 -15.944 19.377 2.366 1.00 0.00 H new ATOM 0 HG SER A 57 -14.786 20.543 4.002 1.00 0.00 H new ATOM 862 N ASN A 58 -15.996 16.331 1.620 1.00 0.00 N ATOM 863 CA ASN A 58 -16.868 15.235 2.024 1.00 0.00 C ATOM 864 C ASN A 58 -16.300 13.893 1.572 1.00 0.00 C ATOM 865 O ASN A 58 -17.023 12.900 1.481 1.00 0.00 O ATOM 866 CB ASN A 58 -18.270 15.429 1.443 1.00 0.00 C ATOM 867 CG ASN A 58 -18.978 16.633 2.034 1.00 0.00 C ATOM 868 OD1 ASN A 58 -18.556 17.176 3.055 1.00 0.00 O ATOM 869 ND2 ASN A 58 -20.062 17.055 1.393 1.00 0.00 N ATOM 0 H ASN A 58 -16.086 16.603 0.641 1.00 0.00 H new ATOM 0 HA ASN A 58 -16.930 15.236 3.112 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -18.199 15.547 0.362 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -18.864 14.534 1.628 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -20.581 17.860 1.744 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -20.376 16.574 0.550 1.00 0.00 H new ATOM 876 N ILE A 59 -15.001 13.871 1.290 1.00 0.00 N ATOM 877 CA ILE A 59 -14.336 12.651 0.849 1.00 0.00 C ATOM 878 C ILE A 59 -13.305 12.187 1.872 1.00 0.00 C ATOM 879 O ILE A 59 -12.749 12.992 2.619 1.00 0.00 O ATOM 880 CB ILE A 59 -13.641 12.850 -0.510 1.00 0.00 C ATOM 881 CG1 ILE A 59 -14.490 13.744 -1.416 1.00 0.00 C ATOM 882 CG2 ILE A 59 -13.384 11.505 -1.175 1.00 0.00 C ATOM 883 CD1 ILE A 59 -13.979 13.823 -2.838 1.00 0.00 C ATOM 0 H ILE A 59 -14.389 14.684 1.359 1.00 0.00 H new ATOM 0 HA ILE A 59 -15.109 11.889 0.745 1.00 0.00 H new ATOM 0 HB ILE A 59 -12.682 13.341 -0.343 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -15.513 13.369 -1.427 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -14.523 14.748 -0.994 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -12.892 11.662 -2.135 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -12.744 10.899 -0.534 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -14.332 10.990 -1.333 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -14.629 14.474 -3.423 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -12.966 14.227 -2.839 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -13.973 12.826 -3.278 1.00 0.00 H new ATOM 895 N LYS A 60 -13.052 10.883 1.899 1.00 0.00 N ATOM 896 CA LYS A 60 -12.085 10.310 2.828 1.00 0.00 C ATOM 897 C LYS A 60 -11.187 9.298 2.122 1.00 0.00 C ATOM 898 O LYS A 60 -11.632 8.520 1.278 1.00 0.00 O ATOM 899 CB LYS A 60 -12.807 9.638 3.998 1.00 0.00 C ATOM 900 CG LYS A 60 -14.026 10.404 4.481 1.00 0.00 C ATOM 901 CD LYS A 60 -13.635 11.716 5.141 1.00 0.00 C ATOM 902 CE LYS A 60 -14.727 12.763 4.990 1.00 0.00 C ATOM 903 NZ LYS A 60 -14.728 13.731 6.122 1.00 0.00 N ATOM 0 H LYS A 60 -13.503 10.203 1.288 1.00 0.00 H new ATOM 0 HA LYS A 60 -11.462 11.119 3.210 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -13.113 8.636 3.698 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -12.109 9.523 4.827 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -14.689 10.603 3.639 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -14.585 9.792 5.189 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -13.436 11.547 6.199 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -12.711 12.086 4.698 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -14.587 13.301 4.052 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -15.697 12.270 4.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -15.487 14.428 5.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -14.887 13.221 7.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -13.811 14.220 6.161 1.00 0.00 H new ATOM 917 N PRO A 61 -9.893 9.307 2.475 1.00 0.00 N ATOM 918 CA PRO A 61 -8.907 8.395 1.889 1.00 0.00 C ATOM 919 C PRO A 61 -9.119 6.951 2.330 1.00 0.00 C ATOM 920 O PRO A 61 -9.025 6.633 3.516 1.00 0.00 O ATOM 921 CB PRO A 61 -7.573 8.926 2.420 1.00 0.00 C ATOM 922 CG PRO A 61 -7.922 9.629 3.686 1.00 0.00 C ATOM 923 CD PRO A 61 -9.294 10.208 3.474 1.00 0.00 C ATOM 0 HA PRO A 61 -8.969 8.372 0.801 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -6.867 8.115 2.599 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -7.105 9.604 1.707 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -7.916 8.939 4.530 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -7.198 10.413 3.910 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -9.871 10.223 4.399 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -9.245 11.235 3.111 1.00 0.00 H new ATOM 931 N VAL A 62 -9.404 6.079 1.368 1.00 0.00 N ATOM 932 CA VAL A 62 -9.627 4.667 1.658 1.00 0.00 C ATOM 933 C VAL A 62 -8.371 4.017 2.227 1.00 0.00 C ATOM 934 O VAL A 62 -7.261 4.279 1.764 1.00 0.00 O ATOM 935 CB VAL A 62 -10.064 3.898 0.397 1.00 0.00 C ATOM 936 CG1 VAL A 62 -10.146 2.406 0.683 1.00 0.00 C ATOM 937 CG2 VAL A 62 -11.395 4.426 -0.115 1.00 0.00 C ATOM 0 H VAL A 62 -9.486 6.325 0.382 1.00 0.00 H new ATOM 0 HA VAL A 62 -10.425 4.618 2.399 1.00 0.00 H new ATOM 0 HB VAL A 62 -9.316 4.054 -0.380 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -10.456 1.879 -0.219 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -9.168 2.042 0.998 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -10.872 2.227 1.476 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -11.688 3.871 -1.006 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -12.156 4.303 0.656 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -11.296 5.483 -0.362 1.00 0.00 H new