USER MOD reduce.3.24.130724 H: found=0, std=0, add=479, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 478 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 26 SER OG : rot 180:sc= 0.888 USER MOD Set 1.2: A 42 THR OG1 : rot 128:sc= 1.05 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 TYR OH : rot 70:sc= 0.167 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 HIS :FLIP no HE2:sc= -0.418 F(o=-1.8,f=-0.42) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 84:sc= 0.0102 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 140:sc= 0.433 USER MOD Single : A 31 SER OG : rot 47:sc= 1.14 USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= 0 K(o=0,f=-0.91!) USER MOD Single : A 43 THR OG1 : rot 160:sc= 0.0493 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot -160:sc= 1.1 USER MOD Single : A 52 HIS : no HD1:sc= -1.36 K(o=-1.4,f=-2.5!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= -0.364 X(o=-0.36,f=-0.17) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 TYR OH : rot 15:sc= -0.0752 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 137 N CYS A 10 10.066 -2.623 -4.651 1.00 0.00 N ATOM 138 CA CYS A 10 8.957 -3.147 -5.495 1.00 0.00 C ATOM 139 C CYS A 10 8.113 -4.146 -4.698 1.00 0.00 C ATOM 140 O CYS A 10 8.426 -4.477 -3.571 1.00 0.00 O ATOM 141 CB CYS A 10 9.648 -3.848 -6.667 1.00 0.00 C ATOM 142 SG CYS A 10 10.757 -2.687 -7.509 1.00 0.00 S ATOM 0 HA CYS A 10 8.285 -2.357 -5.830 1.00 0.00 H new ATOM 0 HB2 CYS A 10 10.212 -4.708 -6.307 1.00 0.00 H new ATOM 0 HB3 CYS A 10 8.903 -4.226 -7.367 1.00 0.00 H new ATOM 147 N CYS A 11 7.045 -4.627 -5.273 1.00 0.00 N ATOM 148 CA CYS A 11 6.183 -5.602 -4.546 1.00 0.00 C ATOM 149 C CYS A 11 5.970 -6.860 -5.393 1.00 0.00 C ATOM 150 O CYS A 11 5.696 -6.787 -6.574 1.00 0.00 O ATOM 151 CB CYS A 11 4.856 -4.875 -4.333 1.00 0.00 C ATOM 152 SG CYS A 11 4.872 -4.039 -2.726 1.00 0.00 S ATOM 0 H CYS A 11 6.732 -4.387 -6.214 1.00 0.00 H new ATOM 0 HA CYS A 11 6.631 -5.924 -3.606 1.00 0.00 H new ATOM 0 HB2 CYS A 11 4.695 -4.149 -5.130 1.00 0.00 H new ATOM 0 HB3 CYS A 11 4.030 -5.585 -4.377 1.00 0.00 H new ATOM 157 N PHE A 12 6.086 -8.012 -4.793 1.00 0.00 N ATOM 158 CA PHE A 12 5.882 -9.276 -5.554 1.00 0.00 C ATOM 159 C PHE A 12 4.952 -10.207 -4.771 1.00 0.00 C ATOM 160 O PHE A 12 5.185 -11.396 -4.668 1.00 0.00 O ATOM 161 CB PHE A 12 7.275 -9.898 -5.710 1.00 0.00 C ATOM 162 CG PHE A 12 7.968 -9.967 -4.367 1.00 0.00 C ATOM 163 CD1 PHE A 12 8.606 -8.832 -3.852 1.00 0.00 C ATOM 164 CD2 PHE A 12 7.976 -11.165 -3.642 1.00 0.00 C ATOM 165 CE1 PHE A 12 9.251 -8.895 -2.612 1.00 0.00 C ATOM 166 CE2 PHE A 12 8.622 -11.226 -2.401 1.00 0.00 C ATOM 167 CZ PHE A 12 9.259 -10.091 -1.886 1.00 0.00 C ATOM 0 H PHE A 12 6.314 -8.133 -3.806 1.00 0.00 H new ATOM 0 HA PHE A 12 5.420 -9.102 -6.526 1.00 0.00 H new ATOM 0 HB2 PHE A 12 7.190 -10.898 -6.135 1.00 0.00 H new ATOM 0 HB3 PHE A 12 7.870 -9.306 -6.405 1.00 0.00 H new ATOM 0 HD1 PHE A 12 8.600 -7.908 -4.412 1.00 0.00 H new ATOM 0 HD2 PHE A 12 7.485 -12.041 -4.039 1.00 0.00 H new ATOM 0 HE1 PHE A 12 9.743 -8.020 -2.215 1.00 0.00 H new ATOM 0 HE2 PHE A 12 8.629 -12.149 -1.841 1.00 0.00 H new ATOM 0 HZ PHE A 12 9.756 -10.138 -0.929 1.00 0.00 H new ATOM 177 N GLN A 13 3.899 -9.669 -4.222 1.00 0.00 N ATOM 178 CA GLN A 13 2.942 -10.505 -3.444 1.00 0.00 C ATOM 179 C GLN A 13 1.591 -9.790 -3.353 1.00 0.00 C ATOM 180 O GLN A 13 1.377 -8.954 -2.497 1.00 0.00 O ATOM 181 CB GLN A 13 3.575 -10.649 -2.060 1.00 0.00 C ATOM 182 CG GLN A 13 2.606 -11.373 -1.122 1.00 0.00 C ATOM 183 CD GLN A 13 3.203 -11.429 0.286 1.00 0.00 C ATOM 184 OE1 GLN A 13 4.209 -12.075 0.506 1.00 0.00 O ATOM 185 NE2 GLN A 13 2.625 -10.773 1.255 1.00 0.00 N ATOM 0 H GLN A 13 3.658 -8.679 -4.279 1.00 0.00 H new ATOM 0 HA GLN A 13 2.761 -11.476 -3.904 1.00 0.00 H new ATOM 0 HB2 GLN A 13 4.509 -11.205 -2.133 1.00 0.00 H new ATOM 0 HB3 GLN A 13 3.820 -9.666 -1.657 1.00 0.00 H new ATOM 0 HG2 GLN A 13 1.647 -10.854 -1.102 1.00 0.00 H new ATOM 0 HG3 GLN A 13 2.415 -12.382 -1.488 1.00 0.00 H new ATOM 0 HE21 GLN A 13 1.781 -10.231 1.071 1.00 0.00 H new ATOM 0 HE22 GLN A 13 3.017 -10.803 2.196 1.00 0.00 H new ATOM 194 N TYR A 14 0.683 -10.103 -4.235 1.00 0.00 N ATOM 195 CA TYR A 14 -0.647 -9.431 -4.205 1.00 0.00 C ATOM 196 C TYR A 14 -1.682 -10.310 -3.499 1.00 0.00 C ATOM 197 O TYR A 14 -1.880 -11.457 -3.848 1.00 0.00 O ATOM 198 CB TYR A 14 -1.024 -9.235 -5.675 1.00 0.00 C ATOM 199 CG TYR A 14 0.075 -8.481 -6.386 1.00 0.00 C ATOM 200 CD1 TYR A 14 0.586 -7.300 -5.833 1.00 0.00 C ATOM 201 CD2 TYR A 14 0.586 -8.965 -7.595 1.00 0.00 C ATOM 202 CE1 TYR A 14 1.607 -6.604 -6.490 1.00 0.00 C ATOM 203 CE2 TYR A 14 1.607 -8.269 -8.253 1.00 0.00 C ATOM 204 CZ TYR A 14 2.118 -7.088 -7.701 1.00 0.00 C ATOM 205 OH TYR A 14 3.125 -6.402 -8.348 1.00 0.00 O ATOM 0 H TYR A 14 0.804 -10.795 -4.975 1.00 0.00 H new ATOM 0 HA TYR A 14 -0.615 -8.488 -3.659 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -1.182 -10.202 -6.152 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -1.962 -8.686 -5.750 1.00 0.00 H new ATOM 0 HD1 TYR A 14 0.192 -6.926 -4.899 1.00 0.00 H new ATOM 0 HD2 TYR A 14 0.193 -9.876 -8.021 1.00 0.00 H new ATOM 0 HE1 TYR A 14 2.001 -5.694 -6.063 1.00 0.00 H new ATOM 0 HE2 TYR A 14 2.001 -8.643 -9.187 1.00 0.00 H new ATOM 0 HH TYR A 14 3.958 -6.485 -7.838 1.00 0.00 H new ATOM 215 N SER A 15 -2.351 -9.775 -2.514 1.00 0.00 N ATOM 216 CA SER A 15 -3.379 -10.570 -1.789 1.00 0.00 C ATOM 217 C SER A 15 -4.764 -10.292 -2.381 1.00 0.00 C ATOM 218 O SER A 15 -5.052 -9.193 -2.815 1.00 0.00 O ATOM 219 CB SER A 15 -3.306 -10.090 -0.340 1.00 0.00 C ATOM 220 OG SER A 15 -1.958 -10.153 0.109 1.00 0.00 O ATOM 0 H SER A 15 -2.228 -8.819 -2.180 1.00 0.00 H new ATOM 0 HA SER A 15 -3.206 -11.643 -1.867 1.00 0.00 H new ATOM 0 HB2 SER A 15 -3.679 -9.069 -0.264 1.00 0.00 H new ATOM 0 HB3 SER A 15 -3.941 -10.710 0.293 1.00 0.00 H new ATOM 0 HG SER A 15 -1.908 -9.844 1.038 1.00 0.00 H new ATOM 226 N HIS A 16 -5.621 -11.276 -2.409 1.00 0.00 N ATOM 227 CA HIS A 16 -6.983 -11.060 -2.982 1.00 0.00 C ATOM 228 C HIS A 16 -8.059 -11.273 -1.913 1.00 0.00 C ATOM 229 O HIS A 16 -8.942 -12.094 -2.063 1.00 0.00 O ATOM 230 CB HIS A 16 -7.125 -12.093 -4.107 1.00 0.00 C ATOM 231 CG HIS A 16 -6.735 -13.463 -3.613 1.00 0.00 C ATOM 232 ND1 HIS A 16 -7.016 -14.140 -2.450 1.00 0.00 N flip ATOM 233 CD2 HIS A 16 -5.945 -14.317 -4.366 1.00 0.00 C flip ATOM 234 CE1 HIS A 16 -6.409 -15.393 -2.481 1.00 0.00 C flip ATOM 235 NE2 HIS A 16 -5.779 -15.448 -3.657 1.00 0.00 N flip ATOM 0 H HIS A 16 -5.439 -12.218 -2.062 1.00 0.00 H new ATOM 0 HA HIS A 16 -7.107 -10.042 -3.352 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -8.153 -12.108 -4.468 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -6.495 -11.811 -4.951 1.00 0.00 H new ATOM 0 HD1 HIS A 16 -7.582 -13.780 -1.682 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -5.537 -14.112 -5.345 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -6.441 -16.156 -1.718 1.00 0.00 H new ATOM 243 N LYS A 17 -7.997 -10.533 -0.839 1.00 0.00 N ATOM 244 CA LYS A 17 -9.019 -10.689 0.234 1.00 0.00 C ATOM 245 C LYS A 17 -9.217 -9.360 0.974 1.00 0.00 C ATOM 246 O LYS A 17 -8.308 -8.557 1.050 1.00 0.00 O ATOM 247 CB LYS A 17 -8.447 -11.749 1.175 1.00 0.00 C ATOM 248 CG LYS A 17 -9.304 -13.014 1.102 1.00 0.00 C ATOM 249 CD LYS A 17 -8.865 -13.990 2.196 1.00 0.00 C ATOM 250 CE LYS A 17 -8.332 -15.272 1.552 1.00 0.00 C ATOM 251 NZ LYS A 17 -7.595 -15.972 2.640 1.00 0.00 N ATOM 0 H LYS A 17 -7.283 -9.827 -0.659 1.00 0.00 H new ATOM 0 HA LYS A 17 -9.993 -10.979 -0.161 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -7.418 -11.978 0.899 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -8.426 -11.370 2.197 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -10.357 -12.761 1.226 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -9.202 -13.480 0.122 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -8.094 -13.534 2.817 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -9.705 -14.221 2.851 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -9.145 -15.887 1.166 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -7.675 -15.048 0.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -7.200 -16.862 2.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -6.823 -15.365 2.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -8.247 -16.179 3.424 1.00 0.00 H new ATOM 265 N PRO A 18 -10.403 -9.167 1.499 1.00 0.00 N ATOM 266 CA PRO A 18 -10.710 -7.918 2.238 1.00 0.00 C ATOM 267 C PRO A 18 -10.015 -7.919 3.601 1.00 0.00 C ATOM 268 O PRO A 18 -10.392 -8.641 4.502 1.00 0.00 O ATOM 269 CB PRO A 18 -12.227 -7.956 2.399 1.00 0.00 C ATOM 270 CG PRO A 18 -12.590 -9.405 2.325 1.00 0.00 C ATOM 271 CD PRO A 18 -11.557 -10.079 1.457 1.00 0.00 C ATOM 0 HA PRO A 18 -10.366 -7.021 1.723 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -12.534 -7.521 3.350 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -12.721 -7.385 1.613 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -12.605 -9.849 3.320 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -13.588 -9.531 1.904 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -11.299 -11.067 1.839 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -11.920 -10.216 0.438 1.00 0.00 H new ATOM 279 N LEU A 19 -9.002 -7.112 3.756 1.00 0.00 N ATOM 280 CA LEU A 19 -8.282 -7.061 5.059 1.00 0.00 C ATOM 281 C LEU A 19 -9.175 -6.417 6.127 1.00 0.00 C ATOM 282 O LEU A 19 -9.965 -5.545 5.822 1.00 0.00 O ATOM 283 CB LEU A 19 -7.052 -6.193 4.793 1.00 0.00 C ATOM 284 CG LEU A 19 -5.828 -6.817 5.464 1.00 0.00 C ATOM 285 CD1 LEU A 19 -4.638 -6.767 4.503 1.00 0.00 C ATOM 286 CD2 LEU A 19 -5.487 -6.033 6.732 1.00 0.00 C ATOM 0 H LEU A 19 -8.642 -6.485 3.036 1.00 0.00 H new ATOM 0 HA LEU A 19 -8.011 -8.051 5.425 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.884 -6.102 3.720 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -7.215 -5.186 5.177 1.00 0.00 H new ATOM 0 HG LEU A 19 -6.045 -7.853 5.722 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.765 -7.212 4.981 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.878 -7.323 3.597 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.422 -5.730 4.245 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.614 -6.477 7.211 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.270 -4.997 6.472 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.333 -6.065 7.418 1.00 0.00 H new ATOM 298 N PRO A 20 -9.024 -6.864 7.349 1.00 0.00 N ATOM 299 CA PRO A 20 -9.836 -6.309 8.459 1.00 0.00 C ATOM 300 C PRO A 20 -9.395 -4.876 8.769 1.00 0.00 C ATOM 301 O PRO A 20 -8.332 -4.647 9.311 1.00 0.00 O ATOM 302 CB PRO A 20 -9.534 -7.243 9.629 1.00 0.00 C ATOM 303 CG PRO A 20 -8.199 -7.833 9.315 1.00 0.00 C ATOM 304 CD PRO A 20 -8.099 -7.908 7.813 1.00 0.00 C ATOM 0 HA PRO A 20 -10.901 -6.258 8.232 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -9.513 -6.699 10.573 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -10.296 -8.017 9.723 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -7.398 -7.218 9.726 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -8.100 -8.823 9.759 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -7.081 -7.722 7.470 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -8.386 -8.892 7.441 1.00 0.00 H new ATOM 312 N TRP A 21 -10.205 -3.911 8.420 1.00 0.00 N ATOM 313 CA TRP A 21 -9.842 -2.484 8.681 1.00 0.00 C ATOM 314 C TRP A 21 -9.332 -2.306 10.111 1.00 0.00 C ATOM 315 O TRP A 21 -8.553 -1.418 10.395 1.00 0.00 O ATOM 316 CB TRP A 21 -11.138 -1.709 8.460 1.00 0.00 C ATOM 317 CG TRP A 21 -11.502 -1.794 7.015 1.00 0.00 C ATOM 318 CD1 TRP A 21 -12.412 -2.646 6.489 1.00 0.00 C ATOM 319 CD2 TRP A 21 -10.969 -1.023 5.901 1.00 0.00 C ATOM 320 NE1 TRP A 21 -12.471 -2.445 5.123 1.00 0.00 N ATOM 321 CE2 TRP A 21 -11.601 -1.456 4.713 1.00 0.00 C ATOM 322 CE3 TRP A 21 -10.008 -0.001 5.809 1.00 0.00 C ATOM 323 CZ2 TRP A 21 -11.289 -0.895 3.476 1.00 0.00 C ATOM 324 CZ3 TRP A 21 -9.693 0.566 4.564 1.00 0.00 C ATOM 325 CH2 TRP A 21 -10.332 0.120 3.400 1.00 0.00 C ATOM 0 H TRP A 21 -11.107 -4.049 7.963 1.00 0.00 H new ATOM 0 HA TRP A 21 -9.041 -2.135 8.030 1.00 0.00 H new ATOM 0 HB2 TRP A 21 -11.936 -2.123 9.076 1.00 0.00 H new ATOM 0 HB3 TRP A 21 -11.012 -0.668 8.758 1.00 0.00 H new ATOM 0 HD1 TRP A 21 -12.996 -3.365 7.045 1.00 0.00 H new ATOM 0 HE1 TRP A 21 -13.083 -2.965 4.494 1.00 0.00 H new ATOM 0 HE3 TRP A 21 -9.510 0.350 6.701 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 -11.784 -1.243 2.581 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 -8.954 1.351 4.503 1.00 0.00 H new ATOM 0 HH2 TRP A 21 -10.085 0.560 2.445 1.00 0.00 H new ATOM 336 N THR A 22 -9.747 -3.152 11.009 1.00 0.00 N ATOM 337 CA THR A 22 -9.264 -3.031 12.409 1.00 0.00 C ATOM 338 C THR A 22 -7.742 -3.170 12.436 1.00 0.00 C ATOM 339 O THR A 22 -7.060 -2.535 13.214 1.00 0.00 O ATOM 340 CB THR A 22 -9.918 -4.192 13.156 1.00 0.00 C ATOM 341 OG1 THR A 22 -9.754 -5.387 12.405 1.00 0.00 O ATOM 342 CG2 THR A 22 -11.408 -3.907 13.349 1.00 0.00 C ATOM 0 H THR A 22 -10.397 -3.919 10.835 1.00 0.00 H new ATOM 0 HA THR A 22 -9.514 -2.070 12.858 1.00 0.00 H new ATOM 0 HB THR A 22 -9.446 -4.307 14.132 1.00 0.00 H new ATOM 0 HG1 THR A 22 -8.877 -5.778 12.600 1.00 0.00 H new ATOM 0 HG21 THR A 22 -11.871 -4.737 13.882 1.00 0.00 H new ATOM 0 HG22 THR A 22 -11.531 -2.991 13.927 1.00 0.00 H new ATOM 0 HG23 THR A 22 -11.885 -3.789 12.376 1.00 0.00 H new ATOM 350 N TRP A 23 -7.207 -4.000 11.582 1.00 0.00 N ATOM 351 CA TRP A 23 -5.732 -4.188 11.545 1.00 0.00 C ATOM 352 C TRP A 23 -5.106 -3.358 10.423 1.00 0.00 C ATOM 353 O TRP A 23 -3.918 -3.416 10.207 1.00 0.00 O ATOM 354 CB TRP A 23 -5.518 -5.678 11.268 1.00 0.00 C ATOM 355 CG TRP A 23 -6.243 -6.522 12.275 1.00 0.00 C ATOM 356 CD1 TRP A 23 -6.771 -6.087 13.445 1.00 0.00 C ATOM 357 CD2 TRP A 23 -6.519 -7.949 12.211 1.00 0.00 C ATOM 358 NE1 TRP A 23 -7.355 -7.159 14.098 1.00 0.00 N ATOM 359 CE2 TRP A 23 -7.226 -8.329 13.376 1.00 0.00 C ATOM 360 CE3 TRP A 23 -6.228 -8.941 11.258 1.00 0.00 C ATOM 361 CZ2 TRP A 23 -7.629 -9.648 13.589 1.00 0.00 C ATOM 362 CZ3 TRP A 23 -6.631 -10.271 11.469 1.00 0.00 C ATOM 363 CH2 TRP A 23 -7.330 -10.623 12.632 1.00 0.00 C ATOM 0 H TRP A 23 -7.731 -4.557 10.907 1.00 0.00 H new ATOM 0 HA TRP A 23 -5.268 -3.869 12.478 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -5.870 -5.919 10.265 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -4.453 -5.907 11.296 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -6.741 -5.070 13.808 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -7.823 -7.093 15.002 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -5.691 -8.679 10.358 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -8.168 -9.914 14.486 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -6.401 -11.026 10.731 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -7.637 -11.646 12.789 1.00 0.00 H new ATOM 374 N VAL A 24 -5.883 -2.589 9.705 1.00 0.00 N ATOM 375 CA VAL A 24 -5.287 -1.768 8.609 1.00 0.00 C ATOM 376 C VAL A 24 -4.845 -0.411 9.167 1.00 0.00 C ATOM 377 O VAL A 24 -5.417 0.090 10.115 1.00 0.00 O ATOM 378 CB VAL A 24 -6.387 -1.605 7.559 1.00 0.00 C ATOM 379 CG1 VAL A 24 -5.813 -0.869 6.349 1.00 0.00 C ATOM 380 CG2 VAL A 24 -6.881 -2.986 7.121 1.00 0.00 C ATOM 0 H VAL A 24 -6.891 -2.494 9.827 1.00 0.00 H new ATOM 0 HA VAL A 24 -4.406 -2.238 8.172 1.00 0.00 H new ATOM 0 HB VAL A 24 -7.217 -1.038 7.980 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -6.590 -0.748 5.594 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -5.451 0.112 6.658 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -4.988 -1.445 5.931 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -7.665 -2.871 6.373 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -6.052 -3.551 6.694 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -7.278 -3.521 7.984 1.00 0.00 H new ATOM 390 N ARG A 25 -3.821 0.181 8.610 1.00 0.00 N ATOM 391 CA ARG A 25 -3.350 1.490 9.150 1.00 0.00 C ATOM 392 C ARG A 25 -3.065 2.501 8.032 1.00 0.00 C ATOM 393 O ARG A 25 -3.570 3.606 8.046 1.00 0.00 O ATOM 394 CB ARG A 25 -2.061 1.158 9.901 1.00 0.00 C ATOM 395 CG ARG A 25 -1.602 2.382 10.695 1.00 0.00 C ATOM 396 CD ARG A 25 -0.075 2.371 10.814 1.00 0.00 C ATOM 397 NE ARG A 25 0.302 3.791 11.061 1.00 0.00 N ATOM 398 CZ ARG A 25 0.795 4.145 12.217 1.00 0.00 C ATOM 399 NH1 ARG A 25 0.367 3.576 13.311 1.00 0.00 N ATOM 400 NH2 ARG A 25 1.717 5.067 12.280 1.00 0.00 N ATOM 0 H ARG A 25 -3.296 -0.180 7.814 1.00 0.00 H new ATOM 0 HA ARG A 25 -4.106 1.951 9.785 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -2.226 0.316 10.574 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -1.285 0.856 9.197 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -1.932 3.295 10.199 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -2.055 2.376 11.687 1.00 0.00 H new ATOM 0 HD2 ARG A 25 0.253 1.728 11.631 1.00 0.00 H new ATOM 0 HD3 ARG A 25 0.389 1.992 9.904 1.00 0.00 H new ATOM 0 HE ARG A 25 0.175 4.487 10.326 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -0.353 2.855 13.263 1.00 0.00 H new ATOM 0 HH12 ARG A 25 0.752 3.853 14.214 1.00 0.00 H new ATOM 0 HH21 ARG A 25 2.053 5.512 11.426 1.00 0.00 H new ATOM 0 HH22 ARG A 25 2.101 5.343 13.184 1.00 0.00 H new ATOM 414 N SER A 26 -2.247 2.150 7.075 1.00 0.00 N ATOM 415 CA SER A 26 -1.929 3.124 5.987 1.00 0.00 C ATOM 416 C SER A 26 -1.622 2.408 4.670 1.00 0.00 C ATOM 417 O SER A 26 -1.951 1.255 4.480 1.00 0.00 O ATOM 418 CB SER A 26 -0.690 3.868 6.478 1.00 0.00 C ATOM 419 OG SER A 26 0.393 2.954 6.587 1.00 0.00 O ATOM 0 H SER A 26 -1.789 1.242 6.998 1.00 0.00 H new ATOM 0 HA SER A 26 -2.770 3.789 5.788 1.00 0.00 H new ATOM 0 HB2 SER A 26 -0.435 4.671 5.786 1.00 0.00 H new ATOM 0 HB3 SER A 26 -0.889 4.331 7.444 1.00 0.00 H new ATOM 0 HG SER A 26 1.191 3.428 6.900 1.00 0.00 H new ATOM 425 N TYR A 27 -0.987 3.098 3.759 1.00 0.00 N ATOM 426 CA TYR A 27 -0.648 2.478 2.446 1.00 0.00 C ATOM 427 C TYR A 27 0.486 3.266 1.769 1.00 0.00 C ATOM 428 O TYR A 27 0.989 4.233 2.309 1.00 0.00 O ATOM 429 CB TYR A 27 -1.959 2.541 1.635 1.00 0.00 C ATOM 430 CG TYR A 27 -2.127 3.896 0.978 1.00 0.00 C ATOM 431 CD1 TYR A 27 -2.738 4.943 1.674 1.00 0.00 C ATOM 432 CD2 TYR A 27 -1.663 4.097 -0.327 1.00 0.00 C ATOM 433 CE1 TYR A 27 -2.886 6.195 1.064 1.00 0.00 C ATOM 434 CE2 TYR A 27 -1.812 5.346 -0.939 1.00 0.00 C ATOM 435 CZ TYR A 27 -2.423 6.396 -0.243 1.00 0.00 C ATOM 436 OH TYR A 27 -2.567 7.630 -0.844 1.00 0.00 O ATOM 0 H TYR A 27 -0.688 4.067 3.869 1.00 0.00 H new ATOM 0 HA TYR A 27 -0.289 1.453 2.536 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -1.957 1.761 0.873 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -2.807 2.344 2.291 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -3.096 4.787 2.681 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -1.189 3.287 -0.862 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -3.357 7.005 1.601 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -1.456 5.500 -1.947 1.00 0.00 H new ATOM 0 HH TYR A 27 -2.192 7.599 -1.749 1.00 0.00 H new ATOM 446 N GLU A 28 0.882 2.868 0.591 1.00 0.00 N ATOM 447 CA GLU A 28 1.971 3.602 -0.119 1.00 0.00 C ATOM 448 C GLU A 28 2.202 2.988 -1.503 1.00 0.00 C ATOM 449 O GLU A 28 2.149 1.787 -1.677 1.00 0.00 O ATOM 450 CB GLU A 28 3.216 3.437 0.758 1.00 0.00 C ATOM 451 CG GLU A 28 3.467 1.952 1.021 1.00 0.00 C ATOM 452 CD GLU A 28 4.733 1.787 1.863 1.00 0.00 C ATOM 453 OE1 GLU A 28 5.810 1.990 1.324 1.00 0.00 O ATOM 454 OE2 GLU A 28 4.606 1.462 3.032 1.00 0.00 O ATOM 0 H GLU A 28 0.500 2.067 0.089 1.00 0.00 H new ATOM 0 HA GLU A 28 1.725 4.653 -0.271 1.00 0.00 H new ATOM 0 HB2 GLU A 28 4.081 3.880 0.265 1.00 0.00 H new ATOM 0 HB3 GLU A 28 3.081 3.966 1.702 1.00 0.00 H new ATOM 0 HG2 GLU A 28 2.614 1.515 1.540 1.00 0.00 H new ATOM 0 HG3 GLU A 28 3.574 1.418 0.077 1.00 0.00 H new ATOM 461 N PHE A 29 2.458 3.806 -2.487 1.00 0.00 N ATOM 462 CA PHE A 29 2.691 3.271 -3.858 1.00 0.00 C ATOM 463 C PHE A 29 4.159 2.871 -4.022 1.00 0.00 C ATOM 464 O PHE A 29 5.051 3.536 -3.534 1.00 0.00 O ATOM 465 CB PHE A 29 2.342 4.426 -4.798 1.00 0.00 C ATOM 466 CG PHE A 29 1.057 4.112 -5.525 1.00 0.00 C ATOM 467 CD1 PHE A 29 -0.174 4.488 -4.971 1.00 0.00 C ATOM 468 CD2 PHE A 29 1.096 3.444 -6.754 1.00 0.00 C ATOM 469 CE1 PHE A 29 -1.364 4.195 -5.648 1.00 0.00 C ATOM 470 CE2 PHE A 29 -0.094 3.152 -7.430 1.00 0.00 C ATOM 471 CZ PHE A 29 -1.323 3.527 -6.878 1.00 0.00 C ATOM 0 H PHE A 29 2.516 4.821 -2.401 1.00 0.00 H new ATOM 0 HA PHE A 29 2.093 2.383 -4.064 1.00 0.00 H new ATOM 0 HB2 PHE A 29 2.235 5.351 -4.231 1.00 0.00 H new ATOM 0 HB3 PHE A 29 3.149 4.583 -5.514 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -0.205 5.003 -4.022 1.00 0.00 H new ATOM 0 HD2 PHE A 29 2.045 3.154 -7.181 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -2.313 4.484 -5.222 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -0.063 2.637 -8.379 1.00 0.00 H new ATOM 0 HZ PHE A 29 -2.241 3.301 -7.401 1.00 0.00 H new ATOM 481 N THR A 30 4.421 1.789 -4.705 1.00 0.00 N ATOM 482 CA THR A 30 5.836 1.357 -4.894 1.00 0.00 C ATOM 483 C THR A 30 6.648 2.478 -5.546 1.00 0.00 C ATOM 484 O THR A 30 6.131 3.531 -5.860 1.00 0.00 O ATOM 485 CB THR A 30 5.760 0.141 -5.818 1.00 0.00 C ATOM 486 OG1 THR A 30 4.689 0.312 -6.736 1.00 0.00 O ATOM 487 CG2 THR A 30 5.528 -1.120 -4.987 1.00 0.00 C ATOM 0 H THR A 30 3.720 1.188 -5.138 1.00 0.00 H new ATOM 0 HA THR A 30 6.325 1.120 -3.949 1.00 0.00 H new ATOM 0 HB THR A 30 6.696 0.042 -6.367 1.00 0.00 H new ATOM 0 HG1 THR A 30 4.963 -0.007 -7.621 1.00 0.00 H new ATOM 0 HG21 THR A 30 5.474 -1.986 -5.647 1.00 0.00 H new ATOM 0 HG22 THR A 30 6.352 -1.250 -4.285 1.00 0.00 H new ATOM 0 HG23 THR A 30 4.593 -1.025 -4.436 1.00 0.00 H new ATOM 495 N SER A 31 7.919 2.261 -5.748 1.00 0.00 N ATOM 496 CA SER A 31 8.765 3.315 -6.379 1.00 0.00 C ATOM 497 C SER A 31 8.521 3.358 -7.890 1.00 0.00 C ATOM 498 O SER A 31 7.833 2.523 -8.442 1.00 0.00 O ATOM 499 CB SER A 31 10.204 2.902 -6.080 1.00 0.00 C ATOM 500 OG SER A 31 10.303 1.484 -6.117 1.00 0.00 O ATOM 0 H SER A 31 8.408 1.400 -5.504 1.00 0.00 H new ATOM 0 HA SER A 31 8.539 4.309 -5.994 1.00 0.00 H new ATOM 0 HB2 SER A 31 10.881 3.345 -6.811 1.00 0.00 H new ATOM 0 HB3 SER A 31 10.505 3.274 -5.101 1.00 0.00 H new ATOM 0 HG SER A 31 9.856 1.146 -6.921 1.00 0.00 H new ATOM 506 N ASN A 32 9.084 4.325 -8.562 1.00 0.00 N ATOM 507 CA ASN A 32 8.889 4.422 -10.037 1.00 0.00 C ATOM 508 C ASN A 32 9.948 3.594 -10.776 1.00 0.00 C ATOM 509 O ASN A 32 9.832 3.337 -11.958 1.00 0.00 O ATOM 510 CB ASN A 32 9.051 5.908 -10.360 1.00 0.00 C ATOM 511 CG ASN A 32 8.020 6.717 -9.571 1.00 0.00 C ATOM 512 OD1 ASN A 32 6.832 6.488 -9.687 1.00 0.00 O ATOM 513 ND2 ASN A 32 8.426 7.662 -8.768 1.00 0.00 N ATOM 0 H ASN A 32 9.671 5.052 -8.153 1.00 0.00 H new ATOM 0 HA ASN A 32 7.917 4.038 -10.348 1.00 0.00 H new ATOM 0 HB2 ASN A 32 10.059 6.238 -10.107 1.00 0.00 H new ATOM 0 HB3 ASN A 32 8.919 6.075 -11.429 1.00 0.00 H new ATOM 0 HD21 ASN A 32 7.747 8.208 -8.238 1.00 0.00 H new ATOM 0 HD22 ASN A 32 9.423 7.855 -8.670 1.00 0.00 H new ATOM 520 N SER A 33 10.981 3.177 -10.092 1.00 0.00 N ATOM 521 CA SER A 33 12.040 2.370 -10.760 1.00 0.00 C ATOM 522 C SER A 33 11.737 0.874 -10.629 1.00 0.00 C ATOM 523 O SER A 33 12.619 0.044 -10.712 1.00 0.00 O ATOM 524 CB SER A 33 13.330 2.721 -10.019 1.00 0.00 C ATOM 525 OG SER A 33 14.326 3.096 -10.960 1.00 0.00 O ATOM 0 H SER A 33 11.136 3.361 -9.101 1.00 0.00 H new ATOM 0 HA SER A 33 12.108 2.585 -11.826 1.00 0.00 H new ATOM 0 HB2 SER A 33 13.150 3.537 -9.319 1.00 0.00 H new ATOM 0 HB3 SER A 33 13.670 1.867 -9.433 1.00 0.00 H new ATOM 0 HG SER A 33 15.154 3.323 -10.487 1.00 0.00 H new ATOM 531 N CYS A 34 10.496 0.524 -10.423 1.00 0.00 N ATOM 532 CA CYS A 34 10.143 -0.917 -10.286 1.00 0.00 C ATOM 533 C CYS A 34 9.669 -1.478 -11.628 1.00 0.00 C ATOM 534 O CYS A 34 9.227 -0.750 -12.496 1.00 0.00 O ATOM 535 CB CYS A 34 9.009 -0.952 -9.261 1.00 0.00 C ATOM 536 SG CYS A 34 9.708 -0.963 -7.592 1.00 0.00 S ATOM 0 H CYS A 34 9.713 1.173 -10.344 1.00 0.00 H new ATOM 0 HA CYS A 34 10.995 -1.521 -9.974 1.00 0.00 H new ATOM 0 HB2 CYS A 34 8.361 -0.085 -9.390 1.00 0.00 H new ATOM 0 HB3 CYS A 34 8.392 -1.837 -9.415 1.00 0.00 H new ATOM 541 N SER A 35 9.758 -2.767 -11.806 1.00 0.00 N ATOM 542 CA SER A 35 9.312 -3.375 -13.091 1.00 0.00 C ATOM 543 C SER A 35 7.811 -3.681 -13.041 1.00 0.00 C ATOM 544 O SER A 35 7.175 -3.881 -14.058 1.00 0.00 O ATOM 545 CB SER A 35 10.115 -4.668 -13.216 1.00 0.00 C ATOM 546 OG SER A 35 11.440 -4.445 -12.751 1.00 0.00 O ATOM 0 H SER A 35 10.120 -3.426 -11.117 1.00 0.00 H new ATOM 0 HA SER A 35 9.473 -2.709 -13.939 1.00 0.00 H new ATOM 0 HB2 SER A 35 9.642 -5.461 -12.636 1.00 0.00 H new ATOM 0 HB3 SER A 35 10.133 -5.000 -14.254 1.00 0.00 H new ATOM 0 HG SER A 35 11.958 -5.274 -12.828 1.00 0.00 H new ATOM 552 N GLN A 36 7.240 -3.723 -11.868 1.00 0.00 N ATOM 553 CA GLN A 36 5.783 -4.019 -11.758 1.00 0.00 C ATOM 554 C GLN A 36 5.126 -3.090 -10.732 1.00 0.00 C ATOM 555 O GLN A 36 5.295 -3.250 -9.540 1.00 0.00 O ATOM 556 CB GLN A 36 5.712 -5.471 -11.284 1.00 0.00 C ATOM 557 CG GLN A 36 4.780 -6.265 -12.201 1.00 0.00 C ATOM 558 CD GLN A 36 5.018 -7.762 -11.995 1.00 0.00 C ATOM 559 OE1 GLN A 36 5.559 -8.170 -10.986 1.00 0.00 O ATOM 560 NE2 GLN A 36 4.636 -8.605 -12.915 1.00 0.00 N ATOM 0 H GLN A 36 7.719 -3.565 -10.981 1.00 0.00 H new ATOM 0 HA GLN A 36 5.260 -3.868 -12.702 1.00 0.00 H new ATOM 0 HB2 GLN A 36 6.708 -5.915 -11.288 1.00 0.00 H new ATOM 0 HB3 GLN A 36 5.349 -5.512 -10.257 1.00 0.00 H new ATOM 0 HG2 GLN A 36 3.741 -6.018 -11.984 1.00 0.00 H new ATOM 0 HG3 GLN A 36 4.961 -5.997 -13.242 1.00 0.00 H new ATOM 0 HE21 GLN A 36 4.182 -8.264 -13.762 1.00 0.00 H new ATOM 0 HE22 GLN A 36 4.792 -9.605 -12.787 1.00 0.00 H new ATOM 569 N ARG A 37 4.375 -2.123 -11.186 1.00 0.00 N ATOM 570 CA ARG A 37 3.707 -1.192 -10.232 1.00 0.00 C ATOM 571 C ARG A 37 2.881 -1.987 -9.216 1.00 0.00 C ATOM 572 O ARG A 37 2.396 -3.063 -9.507 1.00 0.00 O ATOM 573 CB ARG A 37 2.797 -0.320 -11.100 1.00 0.00 C ATOM 574 CG ARG A 37 3.358 1.103 -11.157 1.00 0.00 C ATOM 575 CD ARG A 37 2.393 2.063 -10.456 1.00 0.00 C ATOM 576 NE ARG A 37 2.166 3.164 -11.434 1.00 0.00 N ATOM 577 CZ ARG A 37 1.077 3.184 -12.153 1.00 0.00 C ATOM 578 NH1 ARG A 37 -0.077 3.395 -11.583 1.00 0.00 N ATOM 579 NH2 ARG A 37 1.142 2.996 -13.444 1.00 0.00 N ATOM 0 H ARG A 37 4.196 -1.938 -12.173 1.00 0.00 H new ATOM 0 HA ARG A 37 4.421 -0.595 -9.666 1.00 0.00 H new ATOM 0 HB2 ARG A 37 2.728 -0.736 -12.105 1.00 0.00 H new ATOM 0 HB3 ARG A 37 1.787 -0.308 -10.690 1.00 0.00 H new ATOM 0 HG2 ARG A 37 4.336 1.139 -10.677 1.00 0.00 H new ATOM 0 HG3 ARG A 37 3.501 1.407 -12.194 1.00 0.00 H new ATOM 0 HD2 ARG A 37 1.458 1.565 -10.199 1.00 0.00 H new ATOM 0 HD3 ARG A 37 2.819 2.442 -9.527 1.00 0.00 H new ATOM 0 HE ARG A 37 2.862 3.902 -11.542 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -0.128 3.544 -10.575 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -0.928 3.411 -12.145 1.00 0.00 H new ATOM 0 HH21 ARG A 37 2.044 2.833 -13.891 1.00 0.00 H new ATOM 0 HH22 ARG A 37 0.290 3.012 -14.005 1.00 0.00 H new ATOM 593 N ALA A 38 2.718 -1.472 -8.029 1.00 0.00 N ATOM 594 CA ALA A 38 1.924 -2.212 -7.007 1.00 0.00 C ATOM 595 C ALA A 38 1.651 -1.326 -5.787 1.00 0.00 C ATOM 596 O ALA A 38 2.552 -0.751 -5.207 1.00 0.00 O ATOM 597 CB ALA A 38 2.797 -3.405 -6.616 1.00 0.00 C ATOM 0 H ALA A 38 3.098 -0.576 -7.723 1.00 0.00 H new ATOM 0 HA ALA A 38 0.952 -2.521 -7.392 1.00 0.00 H new ATOM 0 HB1 ALA A 38 2.281 -4.002 -5.864 1.00 0.00 H new ATOM 0 HB2 ALA A 38 2.991 -4.018 -7.496 1.00 0.00 H new ATOM 0 HB3 ALA A 38 3.742 -3.046 -6.209 1.00 0.00 H new ATOM 603 N VAL A 39 0.411 -1.221 -5.390 1.00 0.00 N ATOM 604 CA VAL A 39 0.074 -0.386 -4.202 1.00 0.00 C ATOM 605 C VAL A 39 0.252 -1.216 -2.931 1.00 0.00 C ATOM 606 O VAL A 39 0.080 -2.415 -2.940 1.00 0.00 O ATOM 607 CB VAL A 39 -1.392 0.000 -4.389 1.00 0.00 C ATOM 608 CG1 VAL A 39 -1.825 0.929 -3.254 1.00 0.00 C ATOM 609 CG2 VAL A 39 -1.560 0.719 -5.729 1.00 0.00 C ATOM 0 H VAL A 39 -0.383 -1.678 -5.838 1.00 0.00 H new ATOM 0 HA VAL A 39 0.712 0.493 -4.111 1.00 0.00 H new ATOM 0 HB VAL A 39 -2.009 -0.898 -4.377 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -2.871 1.204 -3.388 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.704 0.418 -2.299 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.209 1.828 -3.265 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.606 0.996 -5.865 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -0.943 1.617 -5.740 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -1.252 0.057 -6.538 1.00 0.00 H new ATOM 619 N ILE A 40 0.601 -0.597 -1.838 1.00 0.00 N ATOM 620 CA ILE A 40 0.791 -1.378 -0.584 1.00 0.00 C ATOM 621 C ILE A 40 -0.116 -0.841 0.529 1.00 0.00 C ATOM 622 O ILE A 40 -0.344 0.344 0.644 1.00 0.00 O ATOM 623 CB ILE A 40 2.269 -1.190 -0.231 1.00 0.00 C ATOM 624 CG1 ILE A 40 3.131 -1.925 -1.258 1.00 0.00 C ATOM 625 CG2 ILE A 40 2.550 -1.760 1.161 1.00 0.00 C ATOM 626 CD1 ILE A 40 4.368 -1.085 -1.583 1.00 0.00 C ATOM 0 H ILE A 40 0.762 0.407 -1.758 1.00 0.00 H new ATOM 0 HA ILE A 40 0.532 -2.430 -0.705 1.00 0.00 H new ATOM 0 HB ILE A 40 2.507 -0.126 -0.239 1.00 0.00 H new ATOM 0 HG12 ILE A 40 3.431 -2.897 -0.867 1.00 0.00 H new ATOM 0 HG13 ILE A 40 2.556 -2.110 -2.165 1.00 0.00 H new ATOM 0 HG21 ILE A 40 3.603 -1.622 1.405 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.936 -1.241 1.897 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.311 -2.823 1.174 1.00 0.00 H new ATOM 0 HD11 ILE A 40 4.982 -1.610 -2.315 1.00 0.00 H new ATOM 0 HD12 ILE A 40 4.058 -0.123 -1.992 1.00 0.00 H new ATOM 0 HD13 ILE A 40 4.947 -0.923 -0.674 1.00 0.00 H new ATOM 638 N PHE A 41 -0.617 -1.718 1.355 1.00 0.00 N ATOM 639 CA PHE A 41 -1.494 -1.289 2.478 1.00 0.00 C ATOM 640 C PHE A 41 -0.874 -1.766 3.788 1.00 0.00 C ATOM 641 O PHE A 41 -0.651 -2.945 3.982 1.00 0.00 O ATOM 642 CB PHE A 41 -2.833 -1.988 2.234 1.00 0.00 C ATOM 643 CG PHE A 41 -3.487 -1.415 1.000 1.00 0.00 C ATOM 644 CD1 PHE A 41 -3.710 -0.038 0.906 1.00 0.00 C ATOM 645 CD2 PHE A 41 -3.869 -2.259 -0.049 1.00 0.00 C ATOM 646 CE1 PHE A 41 -4.318 0.497 -0.236 1.00 0.00 C ATOM 647 CE2 PHE A 41 -4.476 -1.726 -1.191 1.00 0.00 C ATOM 648 CZ PHE A 41 -4.701 -0.348 -1.285 1.00 0.00 C ATOM 0 H PHE A 41 -0.454 -2.723 1.298 1.00 0.00 H new ATOM 0 HA PHE A 41 -1.617 -0.207 2.535 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -2.678 -3.060 2.111 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -3.485 -1.857 3.097 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -3.413 0.613 1.715 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -3.695 -3.322 0.023 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -4.492 1.561 -0.308 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -4.771 -2.378 -2.000 1.00 0.00 H new ATOM 0 HZ PHE A 41 -5.170 0.064 -2.166 1.00 0.00 H new ATOM 658 N THR A 42 -0.564 -0.869 4.677 1.00 0.00 N ATOM 659 CA THR A 42 0.074 -1.296 5.951 1.00 0.00 C ATOM 660 C THR A 42 -0.976 -1.589 7.024 1.00 0.00 C ATOM 661 O THR A 42 -2.059 -1.040 7.021 1.00 0.00 O ATOM 662 CB THR A 42 0.974 -0.130 6.371 1.00 0.00 C ATOM 663 OG1 THR A 42 1.245 0.707 5.251 1.00 0.00 O ATOM 664 CG2 THR A 42 2.287 -0.685 6.915 1.00 0.00 C ATOM 0 H THR A 42 -0.723 0.134 4.579 1.00 0.00 H new ATOM 0 HA THR A 42 0.642 -2.218 5.823 1.00 0.00 H new ATOM 0 HB THR A 42 0.469 0.456 7.139 1.00 0.00 H new ATOM 0 HG1 THR A 42 1.027 1.636 5.476 1.00 0.00 H new ATOM 0 HG21 THR A 42 2.933 0.139 7.216 1.00 0.00 H new ATOM 0 HG22 THR A 42 2.084 -1.321 7.777 1.00 0.00 H new ATOM 0 HG23 THR A 42 2.783 -1.271 6.141 1.00 0.00 H new ATOM 672 N THR A 43 -0.655 -2.468 7.938 1.00 0.00 N ATOM 673 CA THR A 43 -1.624 -2.822 9.013 1.00 0.00 C ATOM 674 C THR A 43 -1.241 -2.149 10.336 1.00 0.00 C ATOM 675 O THR A 43 -0.339 -1.337 10.395 1.00 0.00 O ATOM 676 CB THR A 43 -1.528 -4.344 9.141 1.00 0.00 C ATOM 677 OG1 THR A 43 -0.161 -4.732 9.145 1.00 0.00 O ATOM 678 CG2 THR A 43 -2.245 -5.004 7.963 1.00 0.00 C ATOM 0 H THR A 43 0.239 -2.956 7.985 1.00 0.00 H new ATOM 0 HA THR A 43 -2.634 -2.488 8.777 1.00 0.00 H new ATOM 0 HB THR A 43 -1.998 -4.661 10.072 1.00 0.00 H new ATOM 0 HG1 THR A 43 -0.076 -5.626 9.538 1.00 0.00 H new ATOM 0 HG21 THR A 43 -2.176 -6.088 8.056 1.00 0.00 H new ATOM 0 HG22 THR A 43 -3.294 -4.706 7.962 1.00 0.00 H new ATOM 0 HG23 THR A 43 -1.778 -4.689 7.030 1.00 0.00 H new ATOM 686 N LYS A 44 -1.925 -2.485 11.397 1.00 0.00 N ATOM 687 CA LYS A 44 -1.612 -1.873 12.720 1.00 0.00 C ATOM 688 C LYS A 44 -0.559 -2.705 13.462 1.00 0.00 C ATOM 689 O LYS A 44 -0.325 -2.517 14.640 1.00 0.00 O ATOM 690 CB LYS A 44 -2.938 -1.885 13.484 1.00 0.00 C ATOM 691 CG LYS A 44 -3.787 -0.685 13.057 1.00 0.00 C ATOM 692 CD LYS A 44 -4.294 0.051 14.300 1.00 0.00 C ATOM 693 CE LYS A 44 -5.374 1.058 13.893 1.00 0.00 C ATOM 694 NZ LYS A 44 -4.696 2.384 13.931 1.00 0.00 N ATOM 0 H LYS A 44 -2.690 -3.160 11.404 1.00 0.00 H new ATOM 0 HA LYS A 44 -1.204 -0.867 12.620 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -3.475 -2.812 13.286 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -2.751 -1.848 14.557 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.196 -0.010 12.438 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.629 -1.019 12.451 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.699 -0.662 15.018 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -3.469 0.566 14.793 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -5.762 0.841 12.898 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -6.221 1.028 14.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -5.372 3.127 13.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -4.343 2.566 14.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -3.898 2.385 13.264 1.00 0.00 H new ATOM 708 N ARG A 45 0.079 -3.626 12.787 1.00 0.00 N ATOM 709 CA ARG A 45 1.112 -4.464 13.462 1.00 0.00 C ATOM 710 C ARG A 45 2.509 -4.100 12.950 1.00 0.00 C ATOM 711 O ARG A 45 3.507 -4.394 13.579 1.00 0.00 O ATOM 712 CB ARG A 45 0.761 -5.905 13.085 1.00 0.00 C ATOM 713 CG ARG A 45 -0.579 -6.287 13.718 1.00 0.00 C ATOM 714 CD ARG A 45 -0.478 -7.692 14.319 1.00 0.00 C ATOM 715 NE ARG A 45 -1.530 -8.484 13.623 1.00 0.00 N ATOM 716 CZ ARG A 45 -2.208 -9.387 14.277 1.00 0.00 C ATOM 717 NH1 ARG A 45 -2.871 -9.054 15.350 1.00 0.00 N ATOM 718 NH2 ARG A 45 -2.222 -10.622 13.857 1.00 0.00 N ATOM 0 H ARG A 45 -0.071 -3.833 11.800 1.00 0.00 H new ATOM 0 HA ARG A 45 1.122 -4.315 14.542 1.00 0.00 H new ATOM 0 HB2 ARG A 45 0.705 -6.005 12.001 1.00 0.00 H new ATOM 0 HB3 ARG A 45 1.543 -6.582 13.427 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -0.846 -5.567 14.492 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -1.369 -6.257 12.968 1.00 0.00 H new ATOM 0 HD2 ARG A 45 0.511 -8.121 14.157 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -0.645 -7.674 15.396 1.00 0.00 H new ATOM 0 HE ARG A 45 -1.721 -8.320 12.634 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -2.859 -8.088 15.677 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -3.401 -9.760 15.861 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -1.703 -10.881 13.018 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -2.752 -11.328 14.368 1.00 0.00 H new ATOM 732 N GLY A 46 2.590 -3.464 11.812 1.00 0.00 N ATOM 733 CA GLY A 46 3.923 -3.085 11.263 1.00 0.00 C ATOM 734 C GLY A 46 4.204 -3.867 9.974 1.00 0.00 C ATOM 735 O GLY A 46 5.271 -3.767 9.402 1.00 0.00 O ATOM 0 H GLY A 46 1.791 -3.191 11.240 1.00 0.00 H new ATOM 0 HA2 GLY A 46 3.951 -2.014 11.061 1.00 0.00 H new ATOM 0 HA3 GLY A 46 4.700 -3.291 11.999 1.00 0.00 H new ATOM 739 N LYS A 47 3.261 -4.647 9.509 1.00 0.00 N ATOM 740 CA LYS A 47 3.487 -5.424 8.260 1.00 0.00 C ATOM 741 C LYS A 47 2.850 -4.703 7.069 1.00 0.00 C ATOM 742 O LYS A 47 1.698 -4.322 7.108 1.00 0.00 O ATOM 743 CB LYS A 47 2.803 -6.770 8.504 1.00 0.00 C ATOM 744 CG LYS A 47 3.503 -7.498 9.653 1.00 0.00 C ATOM 745 CD LYS A 47 3.024 -8.950 9.708 1.00 0.00 C ATOM 746 CE LYS A 47 1.629 -9.006 10.333 1.00 0.00 C ATOM 747 NZ LYS A 47 0.991 -10.214 9.741 1.00 0.00 N ATOM 0 H LYS A 47 2.347 -4.777 9.942 1.00 0.00 H new ATOM 0 HA LYS A 47 4.546 -5.542 8.030 1.00 0.00 H new ATOM 0 HB2 LYS A 47 1.751 -6.617 8.744 1.00 0.00 H new ATOM 0 HB3 LYS A 47 2.839 -7.377 7.599 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.583 -7.466 9.513 1.00 0.00 H new ATOM 0 HG3 LYS A 47 3.289 -6.998 10.598 1.00 0.00 H new ATOM 0 HD2 LYS A 47 3.001 -9.374 8.704 1.00 0.00 H new ATOM 0 HD3 LYS A 47 3.720 -9.551 10.293 1.00 0.00 H new ATOM 0 HE2 LYS A 47 1.686 -9.081 11.419 1.00 0.00 H new ATOM 0 HE3 LYS A 47 1.058 -8.106 10.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 0.029 -10.320 10.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 0.945 -10.111 8.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 1.553 -11.056 9.980 1.00 0.00 H new ATOM 761 N LYS A 48 3.590 -4.513 6.011 1.00 0.00 N ATOM 762 CA LYS A 48 3.021 -3.815 4.819 1.00 0.00 C ATOM 763 C LYS A 48 2.647 -4.843 3.747 1.00 0.00 C ATOM 764 O LYS A 48 3.453 -5.662 3.353 1.00 0.00 O ATOM 765 CB LYS A 48 4.131 -2.885 4.304 1.00 0.00 C ATOM 766 CG LYS A 48 4.809 -2.155 5.472 1.00 0.00 C ATOM 767 CD LYS A 48 5.154 -0.726 5.051 1.00 0.00 C ATOM 768 CE LYS A 48 6.384 -0.740 4.140 1.00 0.00 C ATOM 769 NZ LYS A 48 7.324 0.240 4.749 1.00 0.00 N ATOM 0 H LYS A 48 4.562 -4.809 5.919 1.00 0.00 H new ATOM 0 HA LYS A 48 2.119 -3.255 5.068 1.00 0.00 H new ATOM 0 HB2 LYS A 48 4.871 -3.464 3.751 1.00 0.00 H new ATOM 0 HB3 LYS A 48 3.711 -2.158 3.609 1.00 0.00 H new ATOM 0 HG2 LYS A 48 4.148 -2.140 6.338 1.00 0.00 H new ATOM 0 HG3 LYS A 48 5.713 -2.686 5.770 1.00 0.00 H new ATOM 0 HD2 LYS A 48 4.309 -0.276 4.530 1.00 0.00 H new ATOM 0 HD3 LYS A 48 5.349 -0.114 5.932 1.00 0.00 H new ATOM 0 HE2 LYS A 48 6.828 -1.734 4.091 1.00 0.00 H new ATOM 0 HE3 LYS A 48 6.123 -0.456 3.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 8.193 0.287 4.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 6.877 1.179 4.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 7.559 -0.060 5.717 1.00 0.00 H new ATOM 783 N VAL A 49 1.430 -4.814 3.276 1.00 0.00 N ATOM 784 CA VAL A 49 1.011 -5.800 2.235 1.00 0.00 C ATOM 785 C VAL A 49 0.911 -5.124 0.863 1.00 0.00 C ATOM 786 O VAL A 49 0.458 -4.004 0.743 1.00 0.00 O ATOM 787 CB VAL A 49 -0.362 -6.295 2.690 1.00 0.00 C ATOM 788 CG1 VAL A 49 -0.907 -7.303 1.676 1.00 0.00 C ATOM 789 CG2 VAL A 49 -0.233 -6.971 4.057 1.00 0.00 C ATOM 0 H VAL A 49 0.709 -4.153 3.565 1.00 0.00 H new ATOM 0 HA VAL A 49 1.727 -6.615 2.131 1.00 0.00 H new ATOM 0 HB VAL A 49 -1.045 -5.448 2.763 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -1.886 -7.654 2.002 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.000 -6.824 0.701 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -0.224 -8.149 1.601 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -1.212 -7.324 4.382 1.00 0.00 H new ATOM 0 HG22 VAL A 49 0.451 -7.816 3.982 1.00 0.00 H new ATOM 0 HG23 VAL A 49 0.153 -6.255 4.782 1.00 0.00 H new ATOM 799 N CYS A 50 1.333 -5.797 -0.175 1.00 0.00 N ATOM 800 CA CYS A 50 1.265 -5.195 -1.536 1.00 0.00 C ATOM 801 C CYS A 50 -0.047 -5.578 -2.230 1.00 0.00 C ATOM 802 O CYS A 50 -0.702 -6.531 -1.859 1.00 0.00 O ATOM 803 CB CYS A 50 2.447 -5.800 -2.289 1.00 0.00 C ATOM 804 SG CYS A 50 3.995 -5.352 -1.465 1.00 0.00 S ATOM 0 H CYS A 50 1.722 -6.739 -0.137 1.00 0.00 H new ATOM 0 HA CYS A 50 1.302 -4.106 -1.502 1.00 0.00 H new ATOM 0 HB2 CYS A 50 2.347 -6.885 -2.330 1.00 0.00 H new ATOM 0 HB3 CYS A 50 2.456 -5.442 -3.318 1.00 0.00 H new ATOM 809 N THR A 51 -0.422 -4.846 -3.244 1.00 0.00 N ATOM 810 CA THR A 51 -1.681 -5.156 -3.982 1.00 0.00 C ATOM 811 C THR A 51 -1.579 -4.627 -5.420 1.00 0.00 C ATOM 812 O THR A 51 -0.619 -3.974 -5.779 1.00 0.00 O ATOM 813 CB THR A 51 -2.788 -4.429 -3.213 1.00 0.00 C ATOM 814 OG1 THR A 51 -2.492 -3.041 -3.160 1.00 0.00 O ATOM 815 CG2 THR A 51 -2.878 -4.988 -1.793 1.00 0.00 C ATOM 0 H THR A 51 0.094 -4.040 -3.596 1.00 0.00 H new ATOM 0 HA THR A 51 -1.876 -6.226 -4.045 1.00 0.00 H new ATOM 0 HB THR A 51 -3.741 -4.579 -3.720 1.00 0.00 H new ATOM 0 HG1 THR A 51 -2.997 -2.626 -2.430 1.00 0.00 H new ATOM 0 HG21 THR A 51 -3.666 -4.470 -1.247 1.00 0.00 H new ATOM 0 HG22 THR A 51 -3.106 -6.053 -1.835 1.00 0.00 H new ATOM 0 HG23 THR A 51 -1.926 -4.841 -1.283 1.00 0.00 H new ATOM 823 N HIS A 52 -2.549 -4.910 -6.248 1.00 0.00 N ATOM 824 CA HIS A 52 -2.486 -4.428 -7.658 1.00 0.00 C ATOM 825 C HIS A 52 -3.302 -3.136 -7.835 1.00 0.00 C ATOM 826 O HIS A 52 -4.409 -3.036 -7.345 1.00 0.00 O ATOM 827 CB HIS A 52 -3.095 -5.561 -8.485 1.00 0.00 C ATOM 828 CG HIS A 52 -2.162 -5.913 -9.611 1.00 0.00 C ATOM 829 ND1 HIS A 52 -2.034 -5.119 -10.739 1.00 0.00 N ATOM 830 CD2 HIS A 52 -1.306 -6.970 -9.797 1.00 0.00 C ATOM 831 CE1 HIS A 52 -1.130 -5.703 -11.546 1.00 0.00 C ATOM 832 NE2 HIS A 52 -0.655 -6.835 -11.020 1.00 0.00 N ATOM 0 H HIS A 52 -3.379 -5.452 -6.010 1.00 0.00 H new ATOM 0 HA HIS A 52 -1.466 -4.192 -7.962 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -3.268 -6.434 -7.855 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -4.064 -5.257 -8.882 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -1.160 -7.782 -9.101 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -0.825 -5.305 -12.503 1.00 0.00 H new ATOM 0 HE2 HIS A 52 0.036 -7.465 -11.427 1.00 0.00 H new ATOM 840 N PRO A 53 -2.731 -2.181 -8.537 1.00 0.00 N ATOM 841 CA PRO A 53 -3.427 -0.891 -8.774 1.00 0.00 C ATOM 842 C PRO A 53 -4.548 -1.058 -9.805 1.00 0.00 C ATOM 843 O PRO A 53 -5.543 -0.362 -9.771 1.00 0.00 O ATOM 844 CB PRO A 53 -2.329 0.019 -9.313 1.00 0.00 C ATOM 845 CG PRO A 53 -1.316 -0.904 -9.914 1.00 0.00 C ATOM 846 CD PRO A 53 -1.402 -2.211 -9.167 1.00 0.00 C ATOM 0 HA PRO A 53 -3.901 -0.496 -7.875 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -2.722 0.712 -10.057 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -1.890 0.621 -8.517 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -1.515 -1.054 -10.975 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -0.315 -0.481 -9.834 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -1.300 -3.062 -9.841 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -0.610 -2.297 -8.423 1.00 0.00 H new ATOM 854 N ARG A 54 -4.399 -1.976 -10.722 1.00 0.00 N ATOM 855 CA ARG A 54 -5.463 -2.178 -11.750 1.00 0.00 C ATOM 856 C ARG A 54 -6.783 -2.534 -11.065 1.00 0.00 C ATOM 857 O ARG A 54 -7.853 -2.209 -11.541 1.00 0.00 O ATOM 858 CB ARG A 54 -4.972 -3.344 -12.609 1.00 0.00 C ATOM 859 CG ARG A 54 -4.734 -2.860 -14.040 1.00 0.00 C ATOM 860 CD ARG A 54 -3.768 -3.813 -14.745 1.00 0.00 C ATOM 861 NE ARG A 54 -4.112 -3.710 -16.190 1.00 0.00 N ATOM 862 CZ ARG A 54 -3.188 -3.408 -17.061 1.00 0.00 C ATOM 863 NH1 ARG A 54 -1.960 -3.811 -16.877 1.00 0.00 N ATOM 864 NH2 ARG A 54 -3.491 -2.702 -18.115 1.00 0.00 N ATOM 0 H ARG A 54 -3.591 -2.593 -10.805 1.00 0.00 H new ATOM 0 HA ARG A 54 -5.640 -1.284 -12.348 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -4.050 -3.752 -12.194 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -5.708 -4.148 -12.604 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -5.679 -2.815 -14.582 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -4.324 -1.850 -14.031 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -2.731 -3.529 -14.565 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -3.886 -4.834 -14.383 1.00 0.00 H new ATOM 0 HE ARG A 54 -5.070 -3.875 -16.499 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -1.722 -4.362 -16.052 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -1.238 -3.575 -17.558 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -4.450 -2.386 -18.259 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -2.769 -2.466 -18.796 1.00 0.00 H new ATOM 878 N LYS A 55 -6.710 -3.194 -9.944 1.00 0.00 N ATOM 879 CA LYS A 55 -7.950 -3.569 -9.209 1.00 0.00 C ATOM 880 C LYS A 55 -8.509 -2.355 -8.469 1.00 0.00 C ATOM 881 O LYS A 55 -7.921 -1.885 -7.515 1.00 0.00 O ATOM 882 CB LYS A 55 -7.499 -4.632 -8.210 1.00 0.00 C ATOM 883 CG LYS A 55 -8.399 -5.859 -8.338 1.00 0.00 C ATOM 884 CD LYS A 55 -7.544 -7.124 -8.262 1.00 0.00 C ATOM 885 CE LYS A 55 -6.600 -7.176 -9.465 1.00 0.00 C ATOM 886 NZ LYS A 55 -6.905 -8.472 -10.134 1.00 0.00 N ATOM 0 H LYS A 55 -5.840 -3.492 -9.502 1.00 0.00 H new ATOM 0 HA LYS A 55 -8.735 -3.930 -9.874 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -6.461 -4.907 -8.398 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -7.546 -4.237 -7.195 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -9.144 -5.862 -7.543 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -8.941 -5.829 -9.283 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -6.970 -7.132 -7.335 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -8.183 -8.007 -8.249 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -6.769 -6.335 -10.137 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -5.557 -7.129 -9.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -6.297 -8.582 -10.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -6.728 -9.254 -9.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -7.903 -8.485 -10.427 1.00 0.00 H new ATOM 900 N LYS A 56 -9.651 -1.849 -8.877 1.00 0.00 N ATOM 901 CA LYS A 56 -10.245 -0.677 -8.158 1.00 0.00 C ATOM 902 C LYS A 56 -10.260 -0.979 -6.657 1.00 0.00 C ATOM 903 O LYS A 56 -10.194 -0.099 -5.822 1.00 0.00 O ATOM 904 CB LYS A 56 -11.669 -0.547 -8.703 1.00 0.00 C ATOM 905 CG LYS A 56 -12.059 0.932 -8.767 1.00 0.00 C ATOM 906 CD LYS A 56 -12.889 1.188 -10.027 1.00 0.00 C ATOM 907 CE LYS A 56 -13.655 2.505 -9.876 1.00 0.00 C ATOM 908 NZ LYS A 56 -14.514 2.594 -11.090 1.00 0.00 N ATOM 0 H LYS A 56 -10.192 -2.194 -9.670 1.00 0.00 H new ATOM 0 HA LYS A 56 -9.684 0.246 -8.307 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -11.732 -0.994 -9.695 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -12.365 -1.090 -8.064 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -12.630 1.207 -7.880 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -11.164 1.555 -8.775 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -12.239 1.231 -10.901 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -13.586 0.366 -10.189 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -14.256 2.510 -8.966 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -12.973 3.353 -9.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -15.070 3.472 -11.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -13.915 2.594 -11.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -15.158 1.778 -11.120 1.00 0.00 H new ATOM 922 N TRP A 57 -10.312 -2.241 -6.324 1.00 0.00 N ATOM 923 CA TRP A 57 -10.290 -2.669 -4.898 1.00 0.00 C ATOM 924 C TRP A 57 -9.188 -1.918 -4.143 1.00 0.00 C ATOM 925 O TRP A 57 -9.395 -1.407 -3.058 1.00 0.00 O ATOM 926 CB TRP A 57 -9.964 -4.161 -4.995 1.00 0.00 C ATOM 927 CG TRP A 57 -9.998 -4.800 -3.653 1.00 0.00 C ATOM 928 CD1 TRP A 57 -10.990 -5.596 -3.212 1.00 0.00 C ATOM 929 CD2 TRP A 57 -9.011 -4.737 -2.586 1.00 0.00 C ATOM 930 NE1 TRP A 57 -10.684 -6.025 -1.932 1.00 0.00 N ATOM 931 CE2 TRP A 57 -9.471 -5.520 -1.503 1.00 0.00 C ATOM 932 CE3 TRP A 57 -7.774 -4.080 -2.452 1.00 0.00 C ATOM 933 CZ2 TRP A 57 -8.730 -5.649 -0.329 1.00 0.00 C ATOM 934 CZ3 TRP A 57 -7.025 -4.208 -1.271 1.00 0.00 C ATOM 935 CH2 TRP A 57 -7.503 -4.992 -0.212 1.00 0.00 C ATOM 0 H TRP A 57 -10.370 -3.007 -6.995 1.00 0.00 H new ATOM 0 HA TRP A 57 -11.219 -2.469 -4.363 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -10.680 -4.652 -5.654 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -8.978 -4.294 -5.440 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -11.879 -5.857 -3.766 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -11.280 -6.638 -1.375 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -7.398 -3.473 -3.263 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -9.103 -6.253 0.485 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -6.076 -3.700 -1.178 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -6.923 -5.088 0.694 1.00 0.00 H new ATOM 946 N VAL A 58 -8.022 -1.839 -4.721 1.00 0.00 N ATOM 947 CA VAL A 58 -6.907 -1.112 -4.054 1.00 0.00 C ATOM 948 C VAL A 58 -7.213 0.386 -4.036 1.00 0.00 C ATOM 949 O VAL A 58 -6.899 1.079 -3.090 1.00 0.00 O ATOM 950 CB VAL A 58 -5.682 -1.406 -4.915 1.00 0.00 C ATOM 951 CG1 VAL A 58 -4.472 -0.635 -4.380 1.00 0.00 C ATOM 952 CG2 VAL A 58 -5.388 -2.907 -4.873 1.00 0.00 C ATOM 0 H VAL A 58 -7.793 -2.247 -5.627 1.00 0.00 H new ATOM 0 HA VAL A 58 -6.756 -1.421 -3.020 1.00 0.00 H new ATOM 0 HB VAL A 58 -5.878 -1.095 -5.941 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -3.601 -0.850 -4.999 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -4.681 0.434 -4.406 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -4.271 -0.940 -3.353 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -4.514 -3.124 -5.486 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -5.194 -3.211 -3.844 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -6.247 -3.457 -5.258 1.00 0.00 H new ATOM 962 N GLN A 59 -7.842 0.887 -5.064 1.00 0.00 N ATOM 963 CA GLN A 59 -8.181 2.334 -5.081 1.00 0.00 C ATOM 964 C GLN A 59 -9.140 2.613 -3.931 1.00 0.00 C ATOM 965 O GLN A 59 -9.095 3.653 -3.302 1.00 0.00 O ATOM 966 CB GLN A 59 -8.857 2.583 -6.430 1.00 0.00 C ATOM 967 CG GLN A 59 -7.824 2.453 -7.552 1.00 0.00 C ATOM 968 CD GLN A 59 -6.859 3.638 -7.497 1.00 0.00 C ATOM 969 OE1 GLN A 59 -5.657 3.458 -7.486 1.00 0.00 O ATOM 970 NE2 GLN A 59 -7.337 4.852 -7.460 1.00 0.00 N ATOM 0 H GLN A 59 -8.133 0.359 -5.887 1.00 0.00 H new ATOM 0 HA GLN A 59 -7.312 2.981 -4.962 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -9.665 1.867 -6.581 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -9.304 3.577 -6.447 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -7.274 1.518 -7.448 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -8.325 2.423 -8.520 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -8.346 5.003 -7.469 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -6.702 5.649 -7.422 1.00 0.00 H new ATOM 979 N LYS A 60 -9.997 1.672 -3.634 1.00 0.00 N ATOM 980 CA LYS A 60 -10.940 1.868 -2.505 1.00 0.00 C ATOM 981 C LYS A 60 -10.149 1.880 -1.198 1.00 0.00 C ATOM 982 O LYS A 60 -10.476 2.587 -0.264 1.00 0.00 O ATOM 983 CB LYS A 60 -11.886 0.667 -2.559 1.00 0.00 C ATOM 984 CG LYS A 60 -13.108 0.936 -1.677 1.00 0.00 C ATOM 985 CD LYS A 60 -14.383 0.676 -2.480 1.00 0.00 C ATOM 986 CE LYS A 60 -14.623 -0.832 -2.585 1.00 0.00 C ATOM 987 NZ LYS A 60 -14.768 -1.097 -4.043 1.00 0.00 N ATOM 0 H LYS A 60 -10.081 0.782 -4.124 1.00 0.00 H new ATOM 0 HA LYS A 60 -11.492 2.806 -2.566 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -12.200 0.484 -3.587 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -11.370 -0.231 -2.219 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -13.083 0.294 -0.796 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -13.093 1.966 -1.321 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -15.234 1.157 -1.997 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -14.293 1.111 -3.476 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -13.791 -1.395 -2.162 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -15.518 -1.128 -2.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -14.935 -2.112 -4.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -15.572 -0.553 -4.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -13.898 -0.811 -4.536 1.00 0.00 H new ATOM 1001 N TYR A 61 -9.098 1.104 -1.131 1.00 0.00 N ATOM 1002 CA TYR A 61 -8.277 1.072 0.111 1.00 0.00 C ATOM 1003 C TYR A 61 -7.377 2.309 0.180 1.00 0.00 C ATOM 1004 O TYR A 61 -7.247 2.934 1.210 1.00 0.00 O ATOM 1005 CB TYR A 61 -7.440 -0.204 0.007 1.00 0.00 C ATOM 1006 CG TYR A 61 -8.218 -1.364 0.581 1.00 0.00 C ATOM 1007 CD1 TYR A 61 -9.439 -1.742 0.008 1.00 0.00 C ATOM 1008 CD2 TYR A 61 -7.717 -2.065 1.684 1.00 0.00 C ATOM 1009 CE1 TYR A 61 -10.158 -2.820 0.539 1.00 0.00 C ATOM 1010 CE2 TYR A 61 -8.435 -3.143 2.215 1.00 0.00 C ATOM 1011 CZ TYR A 61 -9.656 -3.520 1.643 1.00 0.00 C ATOM 1012 OH TYR A 61 -10.364 -4.583 2.166 1.00 0.00 O ATOM 0 H TYR A 61 -8.775 0.493 -1.882 1.00 0.00 H new ATOM 0 HA TYR A 61 -8.891 1.077 1.012 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -7.187 -0.402 -1.035 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -6.500 -0.080 0.545 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -9.826 -1.202 -0.843 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -6.776 -1.774 2.126 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -11.099 -3.111 0.097 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -8.047 -3.684 3.066 1.00 0.00 H new ATOM 0 HH TYR A 61 -11.051 -4.865 1.526 1.00 0.00 H new ATOM 1022 N ILE A 62 -6.760 2.671 -0.907 1.00 0.00 N ATOM 1023 CA ILE A 62 -5.878 3.875 -0.887 1.00 0.00 C ATOM 1024 C ILE A 62 -6.668 5.090 -0.395 1.00 0.00 C ATOM 1025 O ILE A 62 -6.138 5.963 0.263 1.00 0.00 O ATOM 1026 CB ILE A 62 -5.434 4.082 -2.335 1.00 0.00 C ATOM 1027 CG1 ILE A 62 -4.639 2.864 -2.807 1.00 0.00 C ATOM 1028 CG2 ILE A 62 -4.549 5.326 -2.421 1.00 0.00 C ATOM 1029 CD1 ILE A 62 -4.733 2.755 -4.330 1.00 0.00 C ATOM 0 H ILE A 62 -6.825 2.191 -1.805 1.00 0.00 H new ATOM 0 HA ILE A 62 -5.026 3.747 -0.220 1.00 0.00 H new ATOM 0 HB ILE A 62 -6.312 4.211 -2.968 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -3.597 2.956 -2.502 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -5.029 1.959 -2.342 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -4.231 5.476 -3.453 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -5.112 6.197 -2.085 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -3.672 5.193 -1.787 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -4.167 1.887 -4.668 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -5.777 2.644 -4.623 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -4.322 3.656 -4.785 1.00 0.00 H new ATOM 1041 N SER A 63 -7.933 5.154 -0.713 1.00 0.00 N ATOM 1042 CA SER A 63 -8.757 6.312 -0.269 1.00 0.00 C ATOM 1043 C SER A 63 -9.282 6.085 1.153 1.00 0.00 C ATOM 1044 O SER A 63 -9.564 7.021 1.875 1.00 0.00 O ATOM 1045 CB SER A 63 -9.917 6.373 -1.264 1.00 0.00 C ATOM 1046 OG SER A 63 -10.310 7.728 -1.444 1.00 0.00 O ATOM 0 H SER A 63 -8.431 4.453 -1.262 1.00 0.00 H new ATOM 0 HA SER A 63 -8.184 7.239 -0.247 1.00 0.00 H new ATOM 0 HB2 SER A 63 -9.616 5.940 -2.218 1.00 0.00 H new ATOM 0 HB3 SER A 63 -10.758 5.784 -0.897 1.00 0.00 H new ATOM 0 HG SER A 63 -11.052 7.771 -2.082 1.00 0.00 H new ATOM 1052 N LEU A 64 -9.424 4.852 1.559 1.00 0.00 N ATOM 1053 CA LEU A 64 -9.938 4.576 2.934 1.00 0.00 C ATOM 1054 C LEU A 64 -8.789 4.533 3.949 1.00 0.00 C ATOM 1055 O LEU A 64 -8.940 4.935 5.085 1.00 0.00 O ATOM 1056 CB LEU A 64 -10.615 3.209 2.834 1.00 0.00 C ATOM 1057 CG LEU A 64 -11.971 3.362 2.146 1.00 0.00 C ATOM 1058 CD1 LEU A 64 -12.421 2.009 1.594 1.00 0.00 C ATOM 1059 CD2 LEU A 64 -13.001 3.866 3.162 1.00 0.00 C ATOM 0 H LEU A 64 -9.208 4.026 1.001 1.00 0.00 H new ATOM 0 HA LEU A 64 -10.623 5.352 3.275 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -9.985 2.520 2.271 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -10.746 2.782 3.828 1.00 0.00 H new ATOM 0 HG LEU A 64 -11.885 4.076 1.327 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -13.388 2.120 1.104 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -11.688 1.648 0.873 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -12.508 1.293 2.412 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -13.969 3.976 2.674 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -13.086 3.150 3.980 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -12.681 4.831 3.556 1.00 0.00 H new ATOM 1071 N LEU A 65 -7.646 4.048 3.550 1.00 0.00 N ATOM 1072 CA LEU A 65 -6.493 3.977 4.496 1.00 0.00 C ATOM 1073 C LEU A 65 -6.183 5.366 5.057 1.00 0.00 C ATOM 1074 O LEU A 65 -6.410 5.643 6.219 1.00 0.00 O ATOM 1075 CB LEU A 65 -5.321 3.461 3.656 1.00 0.00 C ATOM 1076 CG LEU A 65 -5.062 1.984 3.975 1.00 0.00 C ATOM 1077 CD1 LEU A 65 -4.662 1.834 5.444 1.00 0.00 C ATOM 1078 CD2 LEU A 65 -6.331 1.173 3.713 1.00 0.00 C ATOM 0 H LEU A 65 -7.459 3.697 2.611 1.00 0.00 H new ATOM 0 HA LEU A 65 -6.698 3.330 5.349 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -5.542 3.580 2.595 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -4.427 4.049 3.863 1.00 0.00 H new ATOM 0 HG LEU A 65 -4.255 1.618 3.340 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -4.479 0.783 5.666 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -3.755 2.408 5.635 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -5.466 2.204 6.080 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -6.145 0.123 3.940 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -7.137 1.544 4.346 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -6.617 1.273 2.666 1.00 0.00 H new