USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 576 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 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 CYS SG : rot 28:sc= 0.0205 USER MOD Single : A 18 TYR OH : rot 86:sc= -2.12 USER MOD Single : A 22 MET CE :methyl -154:sc=-0.00778 (180deg=-0.742) USER MOD Single : A 23 THR OG1 : rot 68:sc= -3.04! USER MOD Single : A 24 THR OG1 : rot -120:sc= -0.147 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.387 USER MOD Single : A 28 SER OG : rot 180:sc= 0.00852 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 130:sc= -0.027 USER MOD Single : A 38 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 173:sc= -0.689 (180deg=-0.861) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -0.0667 K(o=-0.067,f=-2.2) USER MOD Single : A 60 SER OG : rot -98:sc= 1.29 USER MOD Single : A 61 MET CE :methyl -172:sc= -2.91 (180deg=-3.61) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 ASN :FLIP amide:sc= -0.555 F(o=-1.7,f=-0.55) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=-0.093) USER MOD Single : A 74 GLN : amide:sc= -0.252 X(o=-0.25,f=-0.52) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot -22:sc= 1.12 USER MOD Single : A 78 GLN : amide:sc= -0.286 X(o=-0.29,f=0) USER MOD Single : A 81 LYS NZ :NH3+ 153:sc= 0.471 (180deg=-0.681) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 178 N TYR A 12 -14.265 -9.232 -7.842 1.00 0.00 N ATOM 179 CA TYR A 12 -13.120 -8.830 -8.653 1.00 0.00 C ATOM 180 C TYR A 12 -11.820 -9.327 -8.033 1.00 0.00 C ATOM 181 O TYR A 12 -11.202 -8.635 -7.226 1.00 0.00 O ATOM 182 CB TYR A 12 -13.072 -7.306 -8.818 1.00 0.00 C ATOM 183 CG TYR A 12 -13.670 -6.537 -7.660 1.00 0.00 C ATOM 184 CD1 TYR A 12 -12.969 -6.372 -6.471 1.00 0.00 C ATOM 185 CD2 TYR A 12 -14.936 -5.974 -7.756 1.00 0.00 C ATOM 186 CE1 TYR A 12 -13.513 -5.668 -5.413 1.00 0.00 C ATOM 187 CE2 TYR A 12 -15.486 -5.268 -6.704 1.00 0.00 C ATOM 188 CZ TYR A 12 -14.771 -5.120 -5.535 1.00 0.00 C ATOM 189 OH TYR A 12 -15.316 -4.417 -4.483 1.00 0.00 O ATOM 0 HA TYR A 12 -13.235 -9.282 -9.638 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -12.034 -6.998 -8.946 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -13.601 -7.034 -9.732 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -11.983 -6.801 -6.372 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -15.500 -6.090 -8.669 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -12.955 -5.548 -4.496 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -16.471 -4.834 -6.797 1.00 0.00 H new ATOM 0 HH TYR A 12 -16.208 -4.095 -4.731 1.00 0.00 H new ATOM 199 N PRO A 13 -11.388 -10.544 -8.400 1.00 0.00 N ATOM 200 CA PRO A 13 -10.166 -11.136 -7.876 1.00 0.00 C ATOM 201 C PRO A 13 -8.944 -10.793 -8.721 1.00 0.00 C ATOM 202 O PRO A 13 -8.371 -11.657 -9.386 1.00 0.00 O ATOM 203 CB PRO A 13 -10.478 -12.625 -7.952 1.00 0.00 C ATOM 204 CG PRO A 13 -11.322 -12.763 -9.177 1.00 0.00 C ATOM 205 CD PRO A 13 -12.061 -11.454 -9.347 1.00 0.00 C ATOM 0 HA PRO A 13 -9.914 -10.778 -6.878 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -9.567 -13.219 -8.027 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -11.008 -12.966 -7.063 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -10.705 -12.975 -10.050 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -12.022 -13.592 -9.073 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -11.994 -11.087 -10.371 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -13.121 -11.560 -9.115 1.00 0.00 H new ATOM 213 N CYS A 14 -8.549 -9.525 -8.690 1.00 0.00 N ATOM 214 CA CYS A 14 -7.395 -9.065 -9.453 1.00 0.00 C ATOM 215 C CYS A 14 -6.648 -7.964 -8.708 1.00 0.00 C ATOM 216 O CYS A 14 -7.049 -7.555 -7.618 1.00 0.00 O ATOM 217 CB CYS A 14 -7.836 -8.555 -10.827 1.00 0.00 C ATOM 218 SG CYS A 14 -7.836 -9.822 -12.118 1.00 0.00 S ATOM 0 H CYS A 14 -9.011 -8.797 -8.145 1.00 0.00 H new ATOM 0 HA CYS A 14 -6.720 -9.911 -9.584 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -8.839 -8.137 -10.743 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -7.176 -7.742 -11.130 1.00 0.00 H new ATOM 0 HG CYS A 14 -8.034 -10.989 -11.581 1.00 0.00 H new ATOM 224 N LEU A 15 -5.560 -7.484 -9.304 1.00 0.00 N ATOM 225 CA LEU A 15 -4.760 -6.426 -8.696 1.00 0.00 C ATOM 226 C LEU A 15 -5.463 -5.081 -8.811 1.00 0.00 C ATOM 227 O LEU A 15 -5.818 -4.645 -9.906 1.00 0.00 O ATOM 228 CB LEU A 15 -3.383 -6.349 -9.357 1.00 0.00 C ATOM 229 CG LEU A 15 -2.236 -5.970 -8.420 1.00 0.00 C ATOM 230 CD1 LEU A 15 -1.981 -7.080 -7.415 1.00 0.00 C ATOM 231 CD2 LEU A 15 -0.976 -5.668 -9.217 1.00 0.00 C ATOM 0 H LEU A 15 -5.213 -7.810 -10.206 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.635 -6.665 -7.640 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.159 -7.315 -9.808 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -3.426 -5.621 -10.167 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.519 -5.071 -7.872 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.161 -6.793 -6.756 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.881 -7.248 -6.823 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.718 -7.996 -7.944 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.169 -5.400 -8.535 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.688 -6.549 -9.791 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.166 -4.838 -9.898 1.00 0.00 H new ATOM 243 N TRP A 16 -5.663 -4.425 -7.673 1.00 0.00 N ATOM 244 CA TRP A 16 -6.325 -3.128 -7.646 1.00 0.00 C ATOM 245 C TRP A 16 -5.334 -2.012 -7.333 1.00 0.00 C ATOM 246 O TRP A 16 -4.438 -2.176 -6.505 1.00 0.00 O ATOM 247 CB TRP A 16 -7.448 -3.132 -6.610 1.00 0.00 C ATOM 248 CG TRP A 16 -8.563 -2.190 -6.941 1.00 0.00 C ATOM 249 CD1 TRP A 16 -8.550 -0.829 -6.819 1.00 0.00 C ATOM 250 CD2 TRP A 16 -9.858 -2.534 -7.451 1.00 0.00 C ATOM 251 NE1 TRP A 16 -9.757 -0.309 -7.221 1.00 0.00 N ATOM 252 CE2 TRP A 16 -10.575 -1.335 -7.614 1.00 0.00 C ATOM 253 CE3 TRP A 16 -10.477 -3.741 -7.785 1.00 0.00 C ATOM 254 CZ2 TRP A 16 -11.881 -1.308 -8.095 1.00 0.00 C ATOM 255 CZ3 TRP A 16 -11.774 -3.714 -8.264 1.00 0.00 C ATOM 256 CH2 TRP A 16 -12.464 -2.504 -8.415 1.00 0.00 C ATOM 0 H TRP A 16 -5.376 -4.771 -6.758 1.00 0.00 H new ATOM 0 HA TRP A 16 -6.747 -2.944 -8.634 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -7.849 -4.142 -6.523 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -7.035 -2.868 -5.636 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -7.714 -0.247 -6.459 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -10.004 0.681 -7.226 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -9.952 -4.678 -7.671 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -12.415 -0.377 -8.211 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -12.263 -4.641 -8.526 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -13.476 -2.515 -8.791 1.00 0.00 H new ATOM 267 N ASP A 17 -5.506 -0.876 -7.999 1.00 0.00 N ATOM 268 CA ASP A 17 -4.632 0.275 -7.794 1.00 0.00 C ATOM 269 C ASP A 17 -5.397 1.417 -7.135 1.00 0.00 C ATOM 270 O ASP A 17 -6.466 1.809 -7.600 1.00 0.00 O ATOM 271 CB ASP A 17 -4.042 0.740 -9.127 1.00 0.00 C ATOM 272 CG ASP A 17 -3.112 -0.289 -9.737 1.00 0.00 C ATOM 273 OD1 ASP A 17 -2.116 -0.653 -9.079 1.00 0.00 O ATOM 274 OD2 ASP A 17 -3.380 -0.731 -10.874 1.00 0.00 O ATOM 0 H ASP A 17 -6.244 -0.726 -8.687 1.00 0.00 H new ATOM 0 HA ASP A 17 -3.818 -0.026 -7.135 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -4.852 0.953 -9.825 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -3.498 1.672 -8.975 1.00 0.00 H new ATOM 279 N TYR A 18 -4.847 1.946 -6.046 1.00 0.00 N ATOM 280 CA TYR A 18 -5.488 3.041 -5.327 1.00 0.00 C ATOM 281 C TYR A 18 -4.569 4.254 -5.238 1.00 0.00 C ATOM 282 O TYR A 18 -3.450 4.162 -4.732 1.00 0.00 O ATOM 283 CB TYR A 18 -5.890 2.588 -3.922 1.00 0.00 C ATOM 284 CG TYR A 18 -6.981 1.541 -3.912 1.00 0.00 C ATOM 285 CD1 TYR A 18 -8.237 1.817 -4.437 1.00 0.00 C ATOM 286 CD2 TYR A 18 -6.756 0.281 -3.377 1.00 0.00 C ATOM 287 CE1 TYR A 18 -9.239 0.864 -4.429 1.00 0.00 C ATOM 288 CE2 TYR A 18 -7.751 -0.678 -3.365 1.00 0.00 C ATOM 289 CZ TYR A 18 -8.990 -0.382 -3.893 1.00 0.00 C ATOM 290 OH TYR A 18 -9.984 -1.334 -3.884 1.00 0.00 O ATOM 0 H TYR A 18 -3.963 1.635 -5.644 1.00 0.00 H new ATOM 0 HA TYR A 18 -6.381 3.329 -5.881 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -5.012 2.191 -3.412 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -6.225 3.455 -3.352 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -8.434 2.792 -4.858 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -5.787 0.046 -2.963 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -10.211 1.094 -4.840 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -7.559 -1.654 -2.944 1.00 0.00 H new ATOM 0 HH TYR A 18 -9.979 -1.821 -4.735 1.00 0.00 H new ATOM 300 N ARG A 19 -5.053 5.391 -5.726 1.00 0.00 N ATOM 301 CA ARG A 19 -4.280 6.627 -5.695 1.00 0.00 C ATOM 302 C ARG A 19 -4.411 7.299 -4.332 1.00 0.00 C ATOM 303 O ARG A 19 -5.409 7.965 -4.051 1.00 0.00 O ATOM 304 CB ARG A 19 -4.753 7.573 -6.801 1.00 0.00 C ATOM 305 CG ARG A 19 -3.954 8.864 -6.883 1.00 0.00 C ATOM 306 CD ARG A 19 -2.781 8.736 -7.842 1.00 0.00 C ATOM 307 NE ARG A 19 -2.966 9.543 -9.045 1.00 0.00 N ATOM 308 CZ ARG A 19 -3.024 10.873 -9.045 1.00 0.00 C ATOM 309 NH1 ARG A 19 -2.910 11.550 -7.908 1.00 0.00 N ATOM 310 NH2 ARG A 19 -3.196 11.529 -10.185 1.00 0.00 N ATOM 0 H ARG A 19 -5.977 5.482 -6.148 1.00 0.00 H new ATOM 0 HA ARG A 19 -3.230 6.387 -5.865 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -4.692 7.057 -7.759 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -5.803 7.815 -6.635 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -4.605 9.675 -7.209 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -3.587 9.129 -5.891 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -1.865 9.043 -7.337 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -2.655 7.690 -8.123 1.00 0.00 H new ATOM 0 HE ARG A 19 -3.056 9.059 -9.938 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -2.777 11.051 -7.028 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -2.955 12.569 -7.914 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -3.284 11.014 -11.061 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -3.241 12.548 -10.185 1.00 0.00 H new ATOM 324 N VAL A 20 -3.404 7.112 -3.486 1.00 0.00 N ATOM 325 CA VAL A 20 -3.412 7.693 -2.146 1.00 0.00 C ATOM 326 C VAL A 20 -2.364 8.794 -2.010 1.00 0.00 C ATOM 327 O VAL A 20 -1.176 8.563 -2.228 1.00 0.00 O ATOM 328 CB VAL A 20 -3.148 6.620 -1.071 1.00 0.00 C ATOM 329 CG1 VAL A 20 -3.319 7.205 0.322 1.00 0.00 C ATOM 330 CG2 VAL A 20 -4.063 5.423 -1.272 1.00 0.00 C ATOM 0 H VAL A 20 -2.572 6.563 -3.703 1.00 0.00 H new ATOM 0 HA VAL A 20 -4.403 8.121 -1.996 1.00 0.00 H new ATOM 0 HB VAL A 20 -2.118 6.279 -1.172 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.129 6.432 1.067 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -2.614 8.025 0.461 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -4.337 7.578 0.438 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -3.861 4.677 -0.503 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -5.102 5.744 -1.202 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -3.883 4.988 -2.255 1.00 0.00 H new ATOM 340 N ILE A 21 -2.813 9.989 -1.638 1.00 0.00 N ATOM 341 CA ILE A 21 -1.911 11.123 -1.463 1.00 0.00 C ATOM 342 C ILE A 21 -1.880 11.575 -0.009 1.00 0.00 C ATOM 343 O ILE A 21 -2.898 11.538 0.681 1.00 0.00 O ATOM 344 CB ILE A 21 -2.309 12.328 -2.344 1.00 0.00 C ATOM 345 CG1 ILE A 21 -2.829 11.887 -3.721 1.00 0.00 C ATOM 346 CG2 ILE A 21 -1.129 13.274 -2.502 1.00 0.00 C ATOM 347 CD1 ILE A 21 -2.163 10.647 -4.284 1.00 0.00 C ATOM 0 H ILE A 21 -3.794 10.197 -1.452 1.00 0.00 H new ATOM 0 HA ILE A 21 -0.924 10.777 -1.768 1.00 0.00 H new ATOM 0 HB ILE A 21 -3.123 12.849 -1.841 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -3.901 11.705 -3.648 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -2.692 12.708 -4.425 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -1.421 14.119 -3.125 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -0.819 13.636 -1.522 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -0.300 12.746 -2.973 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -2.594 10.412 -5.257 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -1.094 10.827 -4.395 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -2.321 9.809 -3.605 1.00 0.00 H new ATOM 359 N MET A 22 -0.708 12.002 0.454 1.00 0.00 N ATOM 360 CA MET A 22 -0.552 12.459 1.824 1.00 0.00 C ATOM 361 C MET A 22 -0.090 13.910 1.858 1.00 0.00 C ATOM 362 O MET A 22 0.606 14.373 0.955 1.00 0.00 O ATOM 363 CB MET A 22 0.451 11.576 2.569 1.00 0.00 C ATOM 364 CG MET A 22 0.511 10.141 2.061 1.00 0.00 C ATOM 365 SD MET A 22 1.918 9.849 0.973 1.00 0.00 S ATOM 366 CE MET A 22 2.971 8.863 2.035 1.00 0.00 C ATOM 0 H MET A 22 0.146 12.039 -0.103 1.00 0.00 H new ATOM 0 HA MET A 22 -1.521 12.390 2.318 1.00 0.00 H new ATOM 0 HB2 MET A 22 1.442 12.021 2.487 1.00 0.00 H new ATOM 0 HB3 MET A 22 0.193 11.565 3.628 1.00 0.00 H new ATOM 0 HG2 MET A 22 0.566 9.461 2.911 1.00 0.00 H new ATOM 0 HG3 MET A 22 -0.411 9.910 1.527 1.00 0.00 H new ATOM 0 HE1 MET A 22 4.011 8.984 1.730 1.00 0.00 H new ATOM 0 HE2 MET A 22 2.855 9.191 3.068 1.00 0.00 H new ATOM 0 HE3 MET A 22 2.689 7.813 1.954 1.00 0.00 H new ATOM 376 N THR A 23 -0.481 14.621 2.908 1.00 0.00 N ATOM 377 CA THR A 23 -0.107 16.022 3.062 1.00 0.00 C ATOM 378 C THR A 23 0.564 16.259 4.411 1.00 0.00 C ATOM 379 O THR A 23 -0.002 16.902 5.296 1.00 0.00 O ATOM 380 CB THR A 23 -1.338 16.920 2.918 1.00 0.00 C ATOM 381 OG1 THR A 23 -2.127 16.886 4.094 1.00 0.00 O ATOM 382 CG2 THR A 23 -2.230 16.532 1.757 1.00 0.00 C ATOM 0 H THR A 23 -1.056 14.252 3.665 1.00 0.00 H new ATOM 0 HA THR A 23 0.605 16.273 2.276 1.00 0.00 H new ATOM 0 HB THR A 23 -0.944 17.920 2.736 1.00 0.00 H new ATOM 0 HG1 THR A 23 -1.639 17.314 4.828 1.00 0.00 H new ATOM 0 HG21 THR A 23 -3.083 17.208 1.712 1.00 0.00 H new ATOM 0 HG22 THR A 23 -1.666 16.598 0.827 1.00 0.00 H new ATOM 0 HG23 THR A 23 -2.584 15.510 1.896 1.00 0.00 H new ATOM 390 N THR A 24 1.773 15.733 4.562 1.00 0.00 N ATOM 391 CA THR A 24 2.521 15.886 5.805 1.00 0.00 C ATOM 392 C THR A 24 4.023 15.904 5.541 1.00 0.00 C ATOM 393 O THR A 24 4.494 15.354 4.546 1.00 0.00 O ATOM 394 CB THR A 24 2.177 14.754 6.774 1.00 0.00 C ATOM 395 OG1 THR A 24 0.825 14.359 6.624 1.00 0.00 O ATOM 396 CG2 THR A 24 2.386 15.126 8.226 1.00 0.00 C ATOM 0 H THR A 24 2.256 15.197 3.841 1.00 0.00 H new ATOM 0 HA THR A 24 2.238 16.839 6.253 1.00 0.00 H new ATOM 0 HB THR A 24 2.857 13.941 6.521 1.00 0.00 H new ATOM 0 HG1 THR A 24 0.351 14.487 7.472 1.00 0.00 H new ATOM 0 HG21 THR A 24 2.124 14.279 8.860 1.00 0.00 H new ATOM 0 HG22 THR A 24 3.431 15.390 8.387 1.00 0.00 H new ATOM 0 HG23 THR A 24 1.754 15.977 8.478 1.00 0.00 H new ATOM 404 N LYS A 25 4.769 16.540 6.438 1.00 0.00 N ATOM 405 CA LYS A 25 6.218 16.630 6.303 1.00 0.00 C ATOM 406 C LYS A 25 6.909 15.601 7.192 1.00 0.00 C ATOM 407 O LYS A 25 8.034 15.813 7.646 1.00 0.00 O ATOM 408 CB LYS A 25 6.698 18.037 6.660 1.00 0.00 C ATOM 409 CG LYS A 25 6.325 18.469 8.069 1.00 0.00 C ATOM 410 CD LYS A 25 4.997 19.209 8.093 1.00 0.00 C ATOM 411 CE LYS A 25 5.197 20.705 8.275 1.00 0.00 C ATOM 412 NZ LYS A 25 3.900 21.433 8.361 1.00 0.00 N ATOM 0 H LYS A 25 4.394 17.001 7.267 1.00 0.00 H new ATOM 0 HA LYS A 25 6.477 16.420 5.265 1.00 0.00 H new ATOM 0 HB2 LYS A 25 7.782 18.081 6.551 1.00 0.00 H new ATOM 0 HB3 LYS A 25 6.277 18.747 5.948 1.00 0.00 H new ATOM 0 HG2 LYS A 25 6.266 17.593 8.715 1.00 0.00 H new ATOM 0 HG3 LYS A 25 7.108 19.111 8.473 1.00 0.00 H new ATOM 0 HD2 LYS A 25 4.459 19.023 7.164 1.00 0.00 H new ATOM 0 HD3 LYS A 25 4.378 18.822 8.903 1.00 0.00 H new ATOM 0 HE2 LYS A 25 5.776 20.886 9.181 1.00 0.00 H new ATOM 0 HE3 LYS A 25 5.779 21.097 7.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 4.080 22.450 8.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 3.358 21.281 7.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 3.355 21.077 9.172 1.00 0.00 H new ATOM 426 N ASP A 26 6.230 14.484 7.437 1.00 0.00 N ATOM 427 CA ASP A 26 6.778 13.421 8.270 1.00 0.00 C ATOM 428 C ASP A 26 6.326 12.053 7.769 1.00 0.00 C ATOM 429 O ASP A 26 6.117 11.129 8.557 1.00 0.00 O ATOM 430 CB ASP A 26 6.347 13.612 9.727 1.00 0.00 C ATOM 431 CG ASP A 26 7.242 12.863 10.696 1.00 0.00 C ATOM 432 OD1 ASP A 26 8.480 12.949 10.550 1.00 0.00 O ATOM 433 OD2 ASP A 26 6.705 12.195 11.604 1.00 0.00 O ATOM 0 H ASP A 26 5.298 14.292 7.069 1.00 0.00 H new ATOM 0 HA ASP A 26 7.865 13.470 8.211 1.00 0.00 H new ATOM 0 HB2 ASP A 26 6.360 14.674 9.971 1.00 0.00 H new ATOM 0 HB3 ASP A 26 5.319 13.270 9.847 1.00 0.00 H new ATOM 438 N THR A 27 6.179 11.930 6.455 1.00 0.00 N ATOM 439 CA THR A 27 5.751 10.676 5.845 1.00 0.00 C ATOM 440 C THR A 27 6.895 9.663 5.790 1.00 0.00 C ATOM 441 O THR A 27 6.697 8.516 5.390 1.00 0.00 O ATOM 442 CB THR A 27 5.215 10.930 4.436 1.00 0.00 C ATOM 443 OG1 THR A 27 6.258 11.340 3.569 1.00 0.00 O ATOM 444 CG2 THR A 27 4.136 11.990 4.388 1.00 0.00 C ATOM 0 H THR A 27 6.350 12.684 5.790 1.00 0.00 H new ATOM 0 HA THR A 27 4.957 10.259 6.465 1.00 0.00 H new ATOM 0 HB THR A 27 4.785 9.981 4.116 1.00 0.00 H new ATOM 0 HG1 THR A 27 5.895 11.496 2.672 1.00 0.00 H new ATOM 0 HG21 THR A 27 3.800 12.121 3.359 1.00 0.00 H new ATOM 0 HG22 THR A 27 3.295 11.681 5.008 1.00 0.00 H new ATOM 0 HG23 THR A 27 4.535 12.933 4.762 1.00 0.00 H new ATOM 452 N SER A 28 8.092 10.087 6.191 1.00 0.00 N ATOM 453 CA SER A 28 9.259 9.209 6.182 1.00 0.00 C ATOM 454 C SER A 28 8.966 7.902 6.913 1.00 0.00 C ATOM 455 O SER A 28 9.532 6.857 6.588 1.00 0.00 O ATOM 456 CB SER A 28 10.456 9.910 6.828 1.00 0.00 C ATOM 457 OG SER A 28 10.592 11.235 6.347 1.00 0.00 O ATOM 0 H SER A 28 8.278 11.032 6.526 1.00 0.00 H new ATOM 0 HA SER A 28 9.498 8.977 5.144 1.00 0.00 H new ATOM 0 HB2 SER A 28 10.332 9.924 7.911 1.00 0.00 H new ATOM 0 HB3 SER A 28 11.367 9.349 6.619 1.00 0.00 H new ATOM 0 HG SER A 28 11.363 11.661 6.776 1.00 0.00 H new ATOM 463 N THR A 29 8.078 7.966 7.900 1.00 0.00 N ATOM 464 CA THR A 29 7.710 6.787 8.676 1.00 0.00 C ATOM 465 C THR A 29 6.856 5.837 7.843 1.00 0.00 C ATOM 466 O THR A 29 6.890 4.622 8.038 1.00 0.00 O ATOM 467 CB THR A 29 6.953 7.199 9.938 1.00 0.00 C ATOM 468 OG1 THR A 29 6.665 6.068 10.739 1.00 0.00 O ATOM 469 CG2 THR A 29 5.645 7.902 9.648 1.00 0.00 C ATOM 0 H THR A 29 7.600 8.822 8.181 1.00 0.00 H new ATOM 0 HA THR A 29 8.625 6.269 8.964 1.00 0.00 H new ATOM 0 HB THR A 29 7.612 7.894 10.458 1.00 0.00 H new ATOM 0 HG1 THR A 29 6.182 6.351 11.543 1.00 0.00 H new ATOM 0 HG21 THR A 29 5.159 8.167 10.587 1.00 0.00 H new ATOM 0 HG22 THR A 29 5.838 8.806 9.071 1.00 0.00 H new ATOM 0 HG23 THR A 29 4.995 7.239 9.077 1.00 0.00 H new ATOM 477 N LEU A 30 6.092 6.397 6.912 1.00 0.00 N ATOM 478 CA LEU A 30 5.232 5.599 6.049 1.00 0.00 C ATOM 479 C LEU A 30 6.033 4.987 4.909 1.00 0.00 C ATOM 480 O LEU A 30 5.901 3.801 4.610 1.00 0.00 O ATOM 481 CB LEU A 30 4.094 6.457 5.489 1.00 0.00 C ATOM 482 CG LEU A 30 2.757 6.315 6.220 1.00 0.00 C ATOM 483 CD1 LEU A 30 2.092 7.674 6.390 1.00 0.00 C ATOM 484 CD2 LEU A 30 1.838 5.363 5.470 1.00 0.00 C ATOM 0 H LEU A 30 6.051 7.401 6.736 1.00 0.00 H new ATOM 0 HA LEU A 30 4.805 4.793 6.645 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.399 7.503 5.520 1.00 0.00 H new ATOM 0 HB3 LEU A 30 3.947 6.199 4.440 1.00 0.00 H new ATOM 0 HG LEU A 30 2.950 5.901 7.210 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.143 7.552 6.912 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.743 8.328 6.970 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.913 8.117 5.410 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.892 5.274 6.004 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.654 5.749 4.468 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.309 4.382 5.400 1.00 0.00 H new ATOM 496 N LYS A 31 6.869 5.800 4.277 1.00 0.00 N ATOM 497 CA LYS A 31 7.692 5.334 3.171 1.00 0.00 C ATOM 498 C LYS A 31 8.585 4.173 3.603 1.00 0.00 C ATOM 499 O LYS A 31 9.039 3.386 2.772 1.00 0.00 O ATOM 500 CB LYS A 31 8.550 6.478 2.627 1.00 0.00 C ATOM 501 CG LYS A 31 7.738 7.630 2.059 1.00 0.00 C ATOM 502 CD LYS A 31 8.400 8.969 2.337 1.00 0.00 C ATOM 503 CE LYS A 31 9.268 9.416 1.172 1.00 0.00 C ATOM 504 NZ LYS A 31 10.336 10.360 1.603 1.00 0.00 N ATOM 0 H LYS A 31 6.994 6.785 4.512 1.00 0.00 H new ATOM 0 HA LYS A 31 7.027 4.981 2.383 1.00 0.00 H new ATOM 0 HB2 LYS A 31 9.189 6.854 3.426 1.00 0.00 H new ATOM 0 HB3 LYS A 31 9.208 6.090 1.849 1.00 0.00 H new ATOM 0 HG2 LYS A 31 7.620 7.498 0.984 1.00 0.00 H new ATOM 0 HG3 LYS A 31 6.738 7.620 2.493 1.00 0.00 H new ATOM 0 HD2 LYS A 31 7.635 9.721 2.531 1.00 0.00 H new ATOM 0 HD3 LYS A 31 9.009 8.894 3.238 1.00 0.00 H new ATOM 0 HE2 LYS A 31 9.723 8.544 0.703 1.00 0.00 H new ATOM 0 HE3 LYS A 31 8.644 9.895 0.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 10.905 10.640 0.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 9.902 11.205 2.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 10.948 9.895 2.304 1.00 0.00 H new ATOM 518 N GLU A 32 8.833 4.068 4.908 1.00 0.00 N ATOM 519 CA GLU A 32 9.670 3.001 5.443 1.00 0.00 C ATOM 520 C GLU A 32 8.836 1.778 5.803 1.00 0.00 C ATOM 521 O GLU A 32 9.317 0.647 5.742 1.00 0.00 O ATOM 522 CB GLU A 32 10.434 3.493 6.674 1.00 0.00 C ATOM 523 CG GLU A 32 9.532 3.907 7.824 1.00 0.00 C ATOM 524 CD GLU A 32 10.254 3.910 9.158 1.00 0.00 C ATOM 525 OE1 GLU A 32 11.373 4.459 9.225 1.00 0.00 O ATOM 526 OE2 GLU A 32 9.698 3.367 10.135 1.00 0.00 O ATOM 0 H GLU A 32 8.466 4.709 5.611 1.00 0.00 H new ATOM 0 HA GLU A 32 10.383 2.714 4.671 1.00 0.00 H new ATOM 0 HB2 GLU A 32 11.104 2.704 7.015 1.00 0.00 H new ATOM 0 HB3 GLU A 32 11.058 4.340 6.389 1.00 0.00 H new ATOM 0 HG2 GLU A 32 9.133 4.902 7.628 1.00 0.00 H new ATOM 0 HG3 GLU A 32 8.681 3.228 7.877 1.00 0.00 H new ATOM 533 N LEU A 33 7.584 2.011 6.181 1.00 0.00 N ATOM 534 CA LEU A 33 6.684 0.924 6.555 1.00 0.00 C ATOM 535 C LEU A 33 5.967 0.365 5.330 1.00 0.00 C ATOM 536 O LEU A 33 5.634 -0.819 5.279 1.00 0.00 O ATOM 537 CB LEU A 33 5.670 1.406 7.599 1.00 0.00 C ATOM 538 CG LEU A 33 4.454 2.152 7.045 1.00 0.00 C ATOM 539 CD1 LEU A 33 3.383 1.170 6.590 1.00 0.00 C ATOM 540 CD2 LEU A 33 3.896 3.104 8.094 1.00 0.00 C ATOM 0 H LEU A 33 7.169 2.941 6.237 1.00 0.00 H new ATOM 0 HA LEU A 33 7.280 0.123 6.993 1.00 0.00 H new ATOM 0 HB2 LEU A 33 5.318 0.542 8.163 1.00 0.00 H new ATOM 0 HB3 LEU A 33 6.184 2.059 8.304 1.00 0.00 H new ATOM 0 HG LEU A 33 4.771 2.735 6.180 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.527 1.720 6.200 1.00 0.00 H new ATOM 0 HD12 LEU A 33 3.788 0.526 5.809 1.00 0.00 H new ATOM 0 HD13 LEU A 33 3.067 0.559 7.436 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.031 3.628 7.687 1.00 0.00 H new ATOM 0 HD22 LEU A 33 3.595 2.538 8.976 1.00 0.00 H new ATOM 0 HD23 LEU A 33 4.662 3.828 8.372 1.00 0.00 H new ATOM 552 N LEU A 34 5.733 1.224 4.342 1.00 0.00 N ATOM 553 CA LEU A 34 5.062 0.815 3.115 1.00 0.00 C ATOM 554 C LEU A 34 6.019 0.053 2.202 1.00 0.00 C ATOM 555 O LEU A 34 5.594 -0.753 1.375 1.00 0.00 O ATOM 556 CB LEU A 34 4.504 2.037 2.382 1.00 0.00 C ATOM 557 CG LEU A 34 3.478 2.853 3.167 1.00 0.00 C ATOM 558 CD1 LEU A 34 3.201 4.178 2.472 1.00 0.00 C ATOM 559 CD2 LEU A 34 2.190 2.062 3.342 1.00 0.00 C ATOM 0 H LEU A 34 5.999 2.208 4.369 1.00 0.00 H new ATOM 0 HA LEU A 34 4.238 0.154 3.383 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.334 2.690 2.112 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.045 1.704 1.451 1.00 0.00 H new ATOM 0 HG LEU A 34 3.890 3.064 4.154 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.468 4.744 3.047 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.126 4.751 2.399 1.00 0.00 H new ATOM 0 HD13 LEU A 34 2.811 3.990 1.472 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.470 2.658 3.903 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.776 1.820 2.363 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.400 1.141 3.885 1.00 0.00 H new ATOM 571 N GLU A 35 7.311 0.320 2.357 1.00 0.00 N ATOM 572 CA GLU A 35 8.331 -0.335 1.548 1.00 0.00 C ATOM 573 C GLU A 35 8.732 -1.689 2.136 1.00 0.00 C ATOM 574 O GLU A 35 9.511 -2.428 1.534 1.00 0.00 O ATOM 575 CB GLU A 35 9.563 0.566 1.427 1.00 0.00 C ATOM 576 CG GLU A 35 10.335 0.725 2.727 1.00 0.00 C ATOM 577 CD GLU A 35 11.609 -0.096 2.752 1.00 0.00 C ATOM 578 OE1 GLU A 35 11.512 -1.340 2.815 1.00 0.00 O ATOM 579 OE2 GLU A 35 12.703 0.504 2.709 1.00 0.00 O ATOM 0 H GLU A 35 7.677 0.987 3.037 1.00 0.00 H new ATOM 0 HA GLU A 35 7.909 -0.511 0.558 1.00 0.00 H new ATOM 0 HB2 GLU A 35 10.229 0.156 0.667 1.00 0.00 H new ATOM 0 HB3 GLU A 35 9.249 1.550 1.078 1.00 0.00 H new ATOM 0 HG2 GLU A 35 10.582 1.777 2.872 1.00 0.00 H new ATOM 0 HG3 GLU A 35 9.699 0.428 3.561 1.00 0.00 H new ATOM 586 N THR A 36 8.198 -2.013 3.315 1.00 0.00 N ATOM 587 CA THR A 36 8.510 -3.278 3.974 1.00 0.00 C ATOM 588 C THR A 36 8.191 -4.461 3.064 1.00 0.00 C ATOM 589 O THR A 36 8.910 -5.460 3.052 1.00 0.00 O ATOM 590 CB THR A 36 7.730 -3.402 5.284 1.00 0.00 C ATOM 591 OG1 THR A 36 8.128 -4.561 5.995 1.00 0.00 O ATOM 592 CG2 THR A 36 6.231 -3.477 5.087 1.00 0.00 C ATOM 0 H THR A 36 7.550 -1.418 3.830 1.00 0.00 H new ATOM 0 HA THR A 36 9.578 -3.290 4.193 1.00 0.00 H new ATOM 0 HB THR A 36 7.960 -2.495 5.843 1.00 0.00 H new ATOM 0 HG1 THR A 36 7.620 -4.623 6.831 1.00 0.00 H new ATOM 0 HG21 THR A 36 5.741 -3.564 6.057 1.00 0.00 H new ATOM 0 HG22 THR A 36 5.884 -2.574 4.585 1.00 0.00 H new ATOM 0 HG23 THR A 36 5.987 -4.347 4.478 1.00 0.00 H new ATOM 600 N TYR A 37 7.109 -4.339 2.302 1.00 0.00 N ATOM 601 CA TYR A 37 6.695 -5.397 1.388 1.00 0.00 C ATOM 602 C TYR A 37 6.409 -6.692 2.146 1.00 0.00 C ATOM 603 O TYR A 37 6.832 -7.771 1.731 1.00 0.00 O ATOM 604 CB TYR A 37 7.772 -5.635 0.329 1.00 0.00 C ATOM 605 CG TYR A 37 7.604 -4.782 -0.909 1.00 0.00 C ATOM 606 CD1 TYR A 37 7.671 -3.397 -0.837 1.00 0.00 C ATOM 607 CD2 TYR A 37 7.376 -5.364 -2.152 1.00 0.00 C ATOM 608 CE1 TYR A 37 7.517 -2.615 -1.967 1.00 0.00 C ATOM 609 CE2 TYR A 37 7.222 -4.589 -3.285 1.00 0.00 C ATOM 610 CZ TYR A 37 7.294 -3.215 -3.187 1.00 0.00 C ATOM 611 OH TYR A 37 7.140 -2.441 -4.314 1.00 0.00 O ATOM 0 H TYR A 37 6.503 -3.518 2.299 1.00 0.00 H new ATOM 0 HA TYR A 37 5.777 -5.079 0.895 1.00 0.00 H new ATOM 0 HB2 TYR A 37 8.750 -5.436 0.767 1.00 0.00 H new ATOM 0 HB3 TYR A 37 7.760 -6.686 0.040 1.00 0.00 H new ATOM 0 HD1 TYR A 37 7.846 -2.923 0.117 1.00 0.00 H new ATOM 0 HD2 TYR A 37 7.318 -6.439 -2.232 1.00 0.00 H new ATOM 0 HE1 TYR A 37 7.571 -1.539 -1.894 1.00 0.00 H new ATOM 0 HE2 TYR A 37 7.046 -5.056 -4.243 1.00 0.00 H new ATOM 0 HH TYR A 37 7.729 -2.774 -5.023 1.00 0.00 H new ATOM 621 N GLN A 38 5.688 -6.577 3.256 1.00 0.00 N ATOM 622 CA GLN A 38 5.344 -7.739 4.069 1.00 0.00 C ATOM 623 C GLN A 38 4.546 -8.750 3.253 1.00 0.00 C ATOM 624 O GLN A 38 4.948 -9.905 3.111 1.00 0.00 O ATOM 625 CB GLN A 38 4.540 -7.309 5.296 1.00 0.00 C ATOM 626 CG GLN A 38 5.403 -6.820 6.449 1.00 0.00 C ATOM 627 CD GLN A 38 5.758 -7.928 7.420 1.00 0.00 C ATOM 628 OE1 GLN A 38 6.276 -8.973 7.029 1.00 0.00 O ATOM 629 NE2 GLN A 38 5.479 -7.702 8.699 1.00 0.00 N ATOM 0 H GLN A 38 5.330 -5.691 3.614 1.00 0.00 H new ATOM 0 HA GLN A 38 6.270 -8.211 4.399 1.00 0.00 H new ATOM 0 HB2 GLN A 38 3.850 -6.516 5.008 1.00 0.00 H new ATOM 0 HB3 GLN A 38 3.935 -8.150 5.637 1.00 0.00 H new ATOM 0 HG2 GLN A 38 6.319 -6.382 6.052 1.00 0.00 H new ATOM 0 HG3 GLN A 38 4.876 -6.029 6.983 1.00 0.00 H new ATOM 0 HE21 GLN A 38 5.049 -6.821 8.979 1.00 0.00 H new ATOM 0 HE22 GLN A 38 5.695 -8.410 9.401 1.00 0.00 H new ATOM 638 N ARG A 39 3.419 -8.304 2.711 1.00 0.00 N ATOM 639 CA ARG A 39 2.565 -9.166 1.901 1.00 0.00 C ATOM 640 C ARG A 39 2.690 -8.806 0.421 1.00 0.00 C ATOM 641 O ARG A 39 3.308 -7.801 0.073 1.00 0.00 O ATOM 642 CB ARG A 39 1.099 -9.066 2.347 1.00 0.00 C ATOM 643 CG ARG A 39 0.713 -7.717 2.936 1.00 0.00 C ATOM 644 CD ARG A 39 -0.738 -7.373 2.635 1.00 0.00 C ATOM 645 NE ARG A 39 -1.404 -6.756 3.781 1.00 0.00 N ATOM 646 CZ ARG A 39 -1.909 -7.441 4.804 1.00 0.00 C ATOM 647 NH1 ARG A 39 -1.826 -8.766 4.832 1.00 0.00 N ATOM 648 NH2 ARG A 39 -2.498 -6.799 5.803 1.00 0.00 N ATOM 0 H ARG A 39 3.075 -7.350 2.818 1.00 0.00 H new ATOM 0 HA ARG A 39 2.897 -10.195 2.043 1.00 0.00 H new ATOM 0 HB2 ARG A 39 0.456 -9.273 1.491 1.00 0.00 H new ATOM 0 HB3 ARG A 39 0.903 -9.842 3.087 1.00 0.00 H new ATOM 0 HG2 ARG A 39 0.868 -7.732 4.015 1.00 0.00 H new ATOM 0 HG3 ARG A 39 1.364 -6.942 2.531 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -0.780 -6.695 1.783 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -1.273 -8.278 2.349 1.00 0.00 H new ATOM 0 HE ARG A 39 -1.487 -5.739 3.797 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -1.373 -9.265 4.066 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -2.215 -9.285 5.619 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -2.564 -5.781 5.787 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -2.886 -7.323 6.588 1.00 0.00 H new ATOM 662 N PRO A 40 2.115 -9.631 -0.473 1.00 0.00 N ATOM 663 CA PRO A 40 2.177 -9.394 -1.922 1.00 0.00 C ATOM 664 C PRO A 40 1.519 -8.077 -2.330 1.00 0.00 C ATOM 665 O PRO A 40 0.425 -8.065 -2.892 1.00 0.00 O ATOM 666 CB PRO A 40 1.411 -10.583 -2.519 1.00 0.00 C ATOM 667 CG PRO A 40 1.405 -11.618 -1.446 1.00 0.00 C ATOM 668 CD PRO A 40 1.376 -10.862 -0.150 1.00 0.00 C ATOM 0 HA PRO A 40 3.206 -9.316 -2.272 1.00 0.00 H new ATOM 0 HB2 PRO A 40 0.397 -10.298 -2.798 1.00 0.00 H new ATOM 0 HB3 PRO A 40 1.898 -10.953 -3.421 1.00 0.00 H new ATOM 0 HG2 PRO A 40 0.537 -12.271 -1.537 1.00 0.00 H new ATOM 0 HG3 PRO A 40 2.289 -12.252 -1.509 1.00 0.00 H new ATOM 0 HD2 PRO A 40 0.356 -10.649 0.171 1.00 0.00 H new ATOM 0 HD3 PRO A 40 1.853 -11.421 0.655 1.00 0.00 H new ATOM 676 N PHE A 41 2.198 -6.968 -2.049 1.00 0.00 N ATOM 677 CA PHE A 41 1.681 -5.647 -2.393 1.00 0.00 C ATOM 678 C PHE A 41 2.800 -4.743 -2.904 1.00 0.00 C ATOM 679 O PHE A 41 3.967 -4.928 -2.559 1.00 0.00 O ATOM 680 CB PHE A 41 0.990 -5.007 -1.182 1.00 0.00 C ATOM 681 CG PHE A 41 1.938 -4.404 -0.182 1.00 0.00 C ATOM 682 CD1 PHE A 41 2.334 -3.080 -0.294 1.00 0.00 C ATOM 683 CD2 PHE A 41 2.431 -5.160 0.869 1.00 0.00 C ATOM 684 CE1 PHE A 41 3.205 -2.523 0.625 1.00 0.00 C ATOM 685 CE2 PHE A 41 3.301 -4.610 1.790 1.00 0.00 C ATOM 686 CZ PHE A 41 3.689 -3.289 1.668 1.00 0.00 C ATOM 0 H PHE A 41 3.106 -6.958 -1.585 1.00 0.00 H new ATOM 0 HA PHE A 41 0.946 -5.767 -3.189 1.00 0.00 H new ATOM 0 HB2 PHE A 41 0.308 -4.232 -1.533 1.00 0.00 H new ATOM 0 HB3 PHE A 41 0.384 -5.762 -0.682 1.00 0.00 H new ATOM 0 HD1 PHE A 41 1.958 -2.477 -1.108 1.00 0.00 H new ATOM 0 HD2 PHE A 41 2.131 -6.193 0.969 1.00 0.00 H new ATOM 0 HE1 PHE A 41 3.506 -1.491 0.527 1.00 0.00 H new ATOM 0 HE2 PHE A 41 3.678 -5.211 2.604 1.00 0.00 H new ATOM 0 HZ PHE A 41 4.369 -2.856 2.387 1.00 0.00 H new ATOM 696 N LYS A 42 2.433 -3.762 -3.722 1.00 0.00 N ATOM 697 CA LYS A 42 3.402 -2.827 -4.276 1.00 0.00 C ATOM 698 C LYS A 42 2.837 -1.411 -4.299 1.00 0.00 C ATOM 699 O LYS A 42 1.637 -1.209 -4.115 1.00 0.00 O ATOM 700 CB LYS A 42 3.806 -3.254 -5.688 1.00 0.00 C ATOM 701 CG LYS A 42 4.894 -4.316 -5.713 1.00 0.00 C ATOM 702 CD LYS A 42 4.594 -5.401 -6.736 1.00 0.00 C ATOM 703 CE LYS A 42 4.976 -6.778 -6.214 1.00 0.00 C ATOM 704 NZ LYS A 42 4.078 -7.842 -6.743 1.00 0.00 N ATOM 0 H LYS A 42 1.470 -3.595 -4.015 1.00 0.00 H new ATOM 0 HA LYS A 42 4.285 -2.835 -3.638 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.927 -3.633 -6.210 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.151 -2.379 -6.239 1.00 0.00 H new ATOM 0 HG2 LYS A 42 5.852 -3.851 -5.945 1.00 0.00 H new ATOM 0 HG3 LYS A 42 4.989 -4.764 -4.724 1.00 0.00 H new ATOM 0 HD2 LYS A 42 3.533 -5.386 -6.984 1.00 0.00 H new ATOM 0 HD3 LYS A 42 5.139 -5.195 -7.657 1.00 0.00 H new ATOM 0 HE2 LYS A 42 6.006 -7.000 -6.495 1.00 0.00 H new ATOM 0 HE3 LYS A 42 4.935 -6.777 -5.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 4.372 -8.765 -6.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 3.099 -7.645 -6.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 4.136 -7.860 -7.781 1.00 0.00 H new ATOM 718 N LEU A 43 3.708 -0.436 -4.526 1.00 0.00 N ATOM 719 CA LEU A 43 3.294 0.960 -4.573 1.00 0.00 C ATOM 720 C LEU A 43 3.999 1.697 -5.704 1.00 0.00 C ATOM 721 O LEU A 43 5.216 1.593 -5.862 1.00 0.00 O ATOM 722 CB LEU A 43 3.596 1.652 -3.242 1.00 0.00 C ATOM 723 CG LEU A 43 2.521 1.486 -2.167 1.00 0.00 C ATOM 724 CD1 LEU A 43 2.837 0.293 -1.278 1.00 0.00 C ATOM 725 CD2 LEU A 43 2.398 2.754 -1.335 1.00 0.00 C ATOM 0 H LEU A 43 4.705 -0.586 -4.680 1.00 0.00 H new ATOM 0 HA LEU A 43 2.219 0.985 -4.754 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.538 1.265 -2.854 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.741 2.716 -3.428 1.00 0.00 H new ATOM 0 HG LEU A 43 1.566 1.305 -2.660 1.00 0.00 H new ATOM 0 HD11 LEU A 43 2.062 0.190 -0.519 1.00 0.00 H new ATOM 0 HD12 LEU A 43 2.875 -0.612 -1.884 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.801 0.446 -0.794 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.628 2.617 -0.575 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.352 2.966 -0.852 1.00 0.00 H new ATOM 0 HD23 LEU A 43 2.126 3.588 -1.981 1.00 0.00 H new ATOM 737 N GLU A 44 3.230 2.443 -6.489 1.00 0.00 N ATOM 738 CA GLU A 44 3.789 3.198 -7.601 1.00 0.00 C ATOM 739 C GLU A 44 4.054 4.642 -7.190 1.00 0.00 C ATOM 740 O GLU A 44 3.146 5.475 -7.187 1.00 0.00 O ATOM 741 CB GLU A 44 2.850 3.156 -8.811 1.00 0.00 C ATOM 742 CG GLU A 44 2.148 1.819 -8.996 1.00 0.00 C ATOM 743 CD GLU A 44 2.298 1.273 -10.402 1.00 0.00 C ATOM 744 OE1 GLU A 44 1.733 1.877 -11.339 1.00 0.00 O ATOM 745 OE2 GLU A 44 2.980 0.238 -10.568 1.00 0.00 O ATOM 0 H GLU A 44 2.221 2.540 -6.376 1.00 0.00 H new ATOM 0 HA GLU A 44 4.736 2.737 -7.881 1.00 0.00 H new ATOM 0 HB2 GLU A 44 2.099 3.939 -8.704 1.00 0.00 H new ATOM 0 HB3 GLU A 44 3.421 3.384 -9.711 1.00 0.00 H new ATOM 0 HG2 GLU A 44 2.553 1.099 -8.285 1.00 0.00 H new ATOM 0 HG3 GLU A 44 1.089 1.934 -8.766 1.00 0.00 H new ATOM 752 N PHE A 45 5.301 4.927 -6.840 1.00 0.00 N ATOM 753 CA PHE A 45 5.695 6.266 -6.420 1.00 0.00 C ATOM 754 C PHE A 45 5.425 7.283 -7.524 1.00 0.00 C ATOM 755 O PHE A 45 5.845 7.098 -8.667 1.00 0.00 O ATOM 756 CB PHE A 45 7.180 6.288 -6.047 1.00 0.00 C ATOM 757 CG PHE A 45 7.494 5.678 -4.707 1.00 0.00 C ATOM 758 CD1 PHE A 45 6.644 4.744 -4.126 1.00 0.00 C ATOM 759 CD2 PHE A 45 8.648 6.036 -4.028 1.00 0.00 C ATOM 760 CE1 PHE A 45 6.940 4.187 -2.897 1.00 0.00 C ATOM 761 CE2 PHE A 45 8.949 5.479 -2.799 1.00 0.00 C ATOM 762 CZ PHE A 45 8.094 4.553 -2.233 1.00 0.00 C ATOM 0 H PHE A 45 6.060 4.246 -6.839 1.00 0.00 H new ATOM 0 HA PHE A 45 5.101 6.536 -5.547 1.00 0.00 H new ATOM 0 HB2 PHE A 45 7.743 5.757 -6.815 1.00 0.00 H new ATOM 0 HB3 PHE A 45 7.528 7.321 -6.053 1.00 0.00 H new ATOM 0 HD1 PHE A 45 5.742 4.450 -4.642 1.00 0.00 H new ATOM 0 HD2 PHE A 45 9.321 6.759 -4.465 1.00 0.00 H new ATOM 0 HE1 PHE A 45 6.269 3.465 -2.456 1.00 0.00 H new ATOM 0 HE2 PHE A 45 9.852 5.768 -2.282 1.00 0.00 H new ATOM 0 HZ PHE A 45 8.328 4.116 -1.273 1.00 0.00 H new ATOM 772 N LYS A 46 4.725 8.356 -7.175 1.00 0.00 N ATOM 773 CA LYS A 46 4.401 9.402 -8.136 1.00 0.00 C ATOM 774 C LYS A 46 5.541 10.410 -8.244 1.00 0.00 C ATOM 775 O LYS A 46 5.820 10.933 -9.323 1.00 0.00 O ATOM 776 CB LYS A 46 3.110 10.114 -7.730 1.00 0.00 C ATOM 777 CG LYS A 46 1.857 9.289 -7.976 1.00 0.00 C ATOM 778 CD LYS A 46 1.764 8.834 -9.424 1.00 0.00 C ATOM 779 CE LYS A 46 0.384 8.283 -9.748 1.00 0.00 C ATOM 780 NZ LYS A 46 -0.461 9.282 -10.458 1.00 0.00 N ATOM 0 H LYS A 46 4.371 8.524 -6.233 1.00 0.00 H new ATOM 0 HA LYS A 46 4.258 8.936 -9.111 1.00 0.00 H new ATOM 0 HB2 LYS A 46 3.164 10.371 -6.672 1.00 0.00 H new ATOM 0 HB3 LYS A 46 3.032 11.051 -8.282 1.00 0.00 H new ATOM 0 HG2 LYS A 46 1.859 8.419 -7.320 1.00 0.00 H new ATOM 0 HG3 LYS A 46 0.976 9.879 -7.722 1.00 0.00 H new ATOM 0 HD2 LYS A 46 1.987 9.672 -10.085 1.00 0.00 H new ATOM 0 HD3 LYS A 46 2.516 8.069 -9.615 1.00 0.00 H new ATOM 0 HE2 LYS A 46 0.485 7.390 -10.365 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -0.111 7.979 -8.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -1.347 8.832 -10.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -0.678 10.071 -9.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 0.051 9.642 -11.289 1.00 0.00 H new ATOM 901 N PHE A 54 1.778 17.920 -2.088 1.00 0.00 N ATOM 902 CA PHE A 54 1.070 16.693 -1.736 1.00 0.00 C ATOM 903 C PHE A 54 1.856 15.468 -2.176 1.00 0.00 C ATOM 904 O PHE A 54 2.202 15.328 -3.350 1.00 0.00 O ATOM 905 CB PHE A 54 -0.321 16.678 -2.373 1.00 0.00 C ATOM 906 CG PHE A 54 -1.055 17.982 -2.244 1.00 0.00 C ATOM 907 CD1 PHE A 54 -1.199 18.593 -1.008 1.00 0.00 C ATOM 908 CD2 PHE A 54 -1.605 18.596 -3.358 1.00 0.00 C ATOM 909 CE1 PHE A 54 -1.875 19.792 -0.887 1.00 0.00 C ATOM 910 CE2 PHE A 54 -2.282 19.795 -3.242 1.00 0.00 C ATOM 911 CZ PHE A 54 -2.417 20.393 -2.006 1.00 0.00 C ATOM 0 HA PHE A 54 0.964 16.664 -0.652 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -0.225 16.428 -3.429 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -0.915 15.889 -1.911 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -0.778 18.127 -0.130 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -1.503 18.132 -4.328 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -1.979 20.259 0.081 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -2.705 20.264 -4.118 1.00 0.00 H new ATOM 0 HZ PHE A 54 -2.946 21.330 -1.914 1.00 0.00 H new ATOM 921 N TYR A 55 2.132 14.576 -1.229 1.00 0.00 N ATOM 922 CA TYR A 55 2.872 13.362 -1.530 1.00 0.00 C ATOM 923 C TYR A 55 1.949 12.319 -2.143 1.00 0.00 C ATOM 924 O TYR A 55 1.090 11.757 -1.462 1.00 0.00 O ATOM 925 CB TYR A 55 3.523 12.808 -0.262 1.00 0.00 C ATOM 926 CG TYR A 55 4.649 13.669 0.267 1.00 0.00 C ATOM 927 CD1 TYR A 55 4.401 14.941 0.763 1.00 0.00 C ATOM 928 CD2 TYR A 55 5.960 13.209 0.265 1.00 0.00 C ATOM 929 CE1 TYR A 55 5.425 15.733 1.247 1.00 0.00 C ATOM 930 CE2 TYR A 55 6.991 13.993 0.747 1.00 0.00 C ATOM 931 CZ TYR A 55 6.719 15.254 1.236 1.00 0.00 C ATOM 932 OH TYR A 55 7.743 16.038 1.717 1.00 0.00 O ATOM 0 H TYR A 55 1.854 14.673 -0.252 1.00 0.00 H new ATOM 0 HA TYR A 55 3.655 13.603 -2.249 1.00 0.00 H new ATOM 0 HB2 TYR A 55 2.762 12.704 0.511 1.00 0.00 H new ATOM 0 HB3 TYR A 55 3.907 11.809 -0.468 1.00 0.00 H new ATOM 0 HD1 TYR A 55 3.389 15.319 0.771 1.00 0.00 H new ATOM 0 HD2 TYR A 55 6.177 12.223 -0.119 1.00 0.00 H new ATOM 0 HE1 TYR A 55 5.214 16.720 1.631 1.00 0.00 H new ATOM 0 HE2 TYR A 55 8.005 13.620 0.741 1.00 0.00 H new ATOM 0 HH TYR A 55 8.591 15.553 1.639 1.00 0.00 H new ATOM 942 N SER A 56 2.130 12.070 -3.432 1.00 0.00 N ATOM 943 CA SER A 56 1.308 11.099 -4.145 1.00 0.00 C ATOM 944 C SER A 56 1.988 9.734 -4.208 1.00 0.00 C ATOM 945 O SER A 56 3.175 9.632 -4.521 1.00 0.00 O ATOM 946 CB SER A 56 1.005 11.599 -5.559 1.00 0.00 C ATOM 947 OG SER A 56 0.231 12.784 -5.526 1.00 0.00 O ATOM 0 H SER A 56 2.838 12.526 -4.007 1.00 0.00 H new ATOM 0 HA SER A 56 0.373 10.986 -3.596 1.00 0.00 H new ATOM 0 HB2 SER A 56 1.939 11.785 -6.090 1.00 0.00 H new ATOM 0 HB3 SER A 56 0.471 10.828 -6.114 1.00 0.00 H new ATOM 0 HG SER A 56 0.053 13.084 -6.442 1.00 0.00 H new ATOM 953 N PHE A 57 1.223 8.689 -3.912 1.00 0.00 N ATOM 954 CA PHE A 57 1.739 7.325 -3.935 1.00 0.00 C ATOM 955 C PHE A 57 0.642 6.342 -4.332 1.00 0.00 C ATOM 956 O PHE A 57 -0.492 6.446 -3.863 1.00 0.00 O ATOM 957 CB PHE A 57 2.305 6.947 -2.564 1.00 0.00 C ATOM 958 CG PHE A 57 3.645 7.560 -2.277 1.00 0.00 C ATOM 959 CD1 PHE A 57 3.753 8.900 -1.939 1.00 0.00 C ATOM 960 CD2 PHE A 57 4.800 6.796 -2.344 1.00 0.00 C ATOM 961 CE1 PHE A 57 4.985 9.466 -1.674 1.00 0.00 C ATOM 962 CE2 PHE A 57 6.034 7.358 -2.080 1.00 0.00 C ATOM 963 CZ PHE A 57 6.128 8.694 -1.744 1.00 0.00 C ATOM 0 H PHE A 57 0.239 8.761 -3.652 1.00 0.00 H new ATOM 0 HA PHE A 57 2.538 7.275 -4.675 1.00 0.00 H new ATOM 0 HB2 PHE A 57 1.601 7.256 -1.792 1.00 0.00 H new ATOM 0 HB3 PHE A 57 2.390 5.862 -2.502 1.00 0.00 H new ATOM 0 HD1 PHE A 57 2.863 9.509 -1.882 1.00 0.00 H new ATOM 0 HD2 PHE A 57 4.734 5.750 -2.605 1.00 0.00 H new ATOM 0 HE1 PHE A 57 5.054 10.512 -1.412 1.00 0.00 H new ATOM 0 HE2 PHE A 57 6.926 6.752 -2.136 1.00 0.00 H new ATOM 0 HZ PHE A 57 7.092 9.134 -1.537 1.00 0.00 H new ATOM 973 N ASN A 58 0.979 5.390 -5.199 1.00 0.00 N ATOM 974 CA ASN A 58 0.009 4.398 -5.649 1.00 0.00 C ATOM 975 C ASN A 58 0.138 3.107 -4.846 1.00 0.00 C ATOM 976 O ASN A 58 1.154 2.872 -4.192 1.00 0.00 O ATOM 977 CB ASN A 58 0.189 4.112 -7.141 1.00 0.00 C ATOM 978 CG ASN A 58 -1.134 4.056 -7.881 1.00 0.00 C ATOM 979 OD1 ASN A 58 -2.190 3.873 -7.276 1.00 0.00 O ATOM 980 ND2 ASN A 58 -1.082 4.213 -9.198 1.00 0.00 N ATOM 0 H ASN A 58 1.911 5.286 -5.601 1.00 0.00 H new ATOM 0 HA ASN A 58 -0.989 4.804 -5.487 1.00 0.00 H new ATOM 0 HB2 ASN A 58 0.818 4.885 -7.583 1.00 0.00 H new ATOM 0 HB3 ASN A 58 0.713 3.164 -7.266 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -1.940 4.184 -9.749 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -0.184 4.362 -9.659 1.00 0.00 H new ATOM 987 N VAL A 59 -0.901 2.278 -4.893 1.00 0.00 N ATOM 988 CA VAL A 59 -0.903 1.016 -4.160 1.00 0.00 C ATOM 989 C VAL A 59 -1.477 -0.120 -5.001 1.00 0.00 C ATOM 990 O VAL A 59 -2.677 -0.160 -5.270 1.00 0.00 O ATOM 991 CB VAL A 59 -1.715 1.128 -2.857 1.00 0.00 C ATOM 992 CG1 VAL A 59 -1.498 -0.096 -1.982 1.00 0.00 C ATOM 993 CG2 VAL A 59 -1.351 2.401 -2.108 1.00 0.00 C ATOM 0 H VAL A 59 -1.750 2.457 -5.429 1.00 0.00 H new ATOM 0 HA VAL A 59 0.137 0.794 -3.921 1.00 0.00 H new ATOM 0 HB VAL A 59 -2.773 1.176 -3.115 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -2.081 0.003 -1.066 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -1.817 -0.989 -2.520 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -0.441 -0.181 -1.732 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -1.935 2.463 -1.190 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -0.289 2.388 -1.862 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -1.568 3.266 -2.734 1.00 0.00 H new ATOM 1003 N SER A 60 -0.613 -1.046 -5.399 1.00 0.00 N ATOM 1004 CA SER A 60 -1.029 -2.194 -6.198 1.00 0.00 C ATOM 1005 C SER A 60 -0.876 -3.481 -5.394 1.00 0.00 C ATOM 1006 O SER A 60 0.236 -3.866 -5.033 1.00 0.00 O ATOM 1007 CB SER A 60 -0.202 -2.278 -7.481 1.00 0.00 C ATOM 1008 OG SER A 60 0.165 -0.987 -7.938 1.00 0.00 O ATOM 0 H SER A 60 0.383 -1.025 -5.181 1.00 0.00 H new ATOM 0 HA SER A 60 -2.078 -2.067 -6.465 1.00 0.00 H new ATOM 0 HB2 SER A 60 0.694 -2.872 -7.301 1.00 0.00 H new ATOM 0 HB3 SER A 60 -0.775 -2.791 -8.253 1.00 0.00 H new ATOM 0 HG SER A 60 -0.453 -0.702 -8.644 1.00 0.00 H new ATOM 1014 N MET A 61 -1.993 -4.140 -5.108 1.00 0.00 N ATOM 1015 CA MET A 61 -1.967 -5.377 -4.335 1.00 0.00 C ATOM 1016 C MET A 61 -3.055 -6.341 -4.794 1.00 0.00 C ATOM 1017 O MET A 61 -4.007 -5.947 -5.467 1.00 0.00 O ATOM 1018 CB MET A 61 -2.133 -5.075 -2.846 1.00 0.00 C ATOM 1019 CG MET A 61 -3.475 -4.454 -2.501 1.00 0.00 C ATOM 1020 SD MET A 61 -3.586 -2.722 -2.987 1.00 0.00 S ATOM 1021 CE MET A 61 -5.138 -2.720 -3.881 1.00 0.00 C ATOM 0 H MET A 61 -2.924 -3.841 -5.398 1.00 0.00 H new ATOM 0 HA MET A 61 -1.000 -5.852 -4.500 1.00 0.00 H new ATOM 0 HB2 MET A 61 -2.013 -5.999 -2.280 1.00 0.00 H new ATOM 0 HB3 MET A 61 -1.337 -4.401 -2.529 1.00 0.00 H new ATOM 0 HG2 MET A 61 -4.268 -5.017 -2.993 1.00 0.00 H new ATOM 0 HG3 MET A 61 -3.644 -4.537 -1.427 1.00 0.00 H new ATOM 0 HE1 MET A 61 -5.278 -1.754 -4.366 1.00 0.00 H new ATOM 0 HE2 MET A 61 -5.124 -3.506 -4.636 1.00 0.00 H new ATOM 0 HE3 MET A 61 -5.958 -2.899 -3.186 1.00 0.00 H new ATOM 1031 N GLU A 62 -2.898 -7.609 -4.429 1.00 0.00 N ATOM 1032 CA GLU A 62 -3.857 -8.641 -4.804 1.00 0.00 C ATOM 1033 C GLU A 62 -5.179 -8.464 -4.064 1.00 0.00 C ATOM 1034 O GLU A 62 -5.214 -8.411 -2.834 1.00 0.00 O ATOM 1035 CB GLU A 62 -3.278 -10.029 -4.522 1.00 0.00 C ATOM 1036 CG GLU A 62 -3.186 -10.911 -5.756 1.00 0.00 C ATOM 1037 CD GLU A 62 -4.390 -11.819 -5.913 1.00 0.00 C ATOM 1038 OE1 GLU A 62 -4.626 -12.652 -5.014 1.00 0.00 O ATOM 1039 OE2 GLU A 62 -5.096 -11.697 -6.936 1.00 0.00 O ATOM 0 H GLU A 62 -2.113 -7.947 -3.872 1.00 0.00 H new ATOM 0 HA GLU A 62 -4.052 -8.545 -5.872 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -2.283 -9.918 -4.090 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -3.896 -10.527 -3.775 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -3.091 -10.282 -6.641 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -2.283 -11.518 -5.698 1.00 0.00 H new ATOM 1046 N VAL A 63 -6.266 -8.387 -4.824 1.00 0.00 N ATOM 1047 CA VAL A 63 -7.596 -8.227 -4.251 1.00 0.00 C ATOM 1048 C VAL A 63 -8.515 -9.351 -4.716 1.00 0.00 C ATOM 1049 O VAL A 63 -8.449 -9.780 -5.867 1.00 0.00 O ATOM 1050 CB VAL A 63 -8.214 -6.866 -4.634 1.00 0.00 C ATOM 1051 CG1 VAL A 63 -9.642 -6.752 -4.116 1.00 0.00 C ATOM 1052 CG2 VAL A 63 -7.357 -5.725 -4.106 1.00 0.00 C ATOM 0 H VAL A 63 -6.251 -8.433 -5.843 1.00 0.00 H new ATOM 0 HA VAL A 63 -7.492 -8.267 -3.167 1.00 0.00 H new ATOM 0 HB VAL A 63 -8.245 -6.799 -5.722 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -10.055 -5.784 -4.399 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -10.250 -7.547 -4.548 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -9.643 -6.844 -3.030 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -7.807 -4.772 -4.385 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -7.292 -5.791 -3.020 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -6.357 -5.793 -4.534 1.00 0.00 H new ATOM 1062 N SER A 64 -9.365 -9.827 -3.810 1.00 0.00 N ATOM 1063 CA SER A 64 -10.295 -10.906 -4.121 1.00 0.00 C ATOM 1064 C SER A 64 -11.738 -10.407 -4.134 1.00 0.00 C ATOM 1065 O SER A 64 -12.580 -10.938 -4.857 1.00 0.00 O ATOM 1066 CB SER A 64 -10.149 -12.037 -3.102 1.00 0.00 C ATOM 1067 OG SER A 64 -10.649 -13.258 -3.618 1.00 0.00 O ATOM 0 H SER A 64 -9.428 -9.481 -2.853 1.00 0.00 H new ATOM 0 HA SER A 64 -10.053 -11.280 -5.116 1.00 0.00 H new ATOM 0 HB2 SER A 64 -9.099 -12.155 -2.834 1.00 0.00 H new ATOM 0 HB3 SER A 64 -10.684 -11.779 -2.188 1.00 0.00 H new ATOM 0 HG SER A 64 -10.542 -13.965 -2.947 1.00 0.00 H new ATOM 1073 N ASN A 65 -12.018 -9.386 -3.329 1.00 0.00 N ATOM 1074 CA ASN A 65 -13.362 -8.823 -3.250 1.00 0.00 C ATOM 1075 C ASN A 65 -13.401 -7.626 -2.304 1.00 0.00 C ATOM 1076 O ASN A 65 -12.367 -7.195 -1.792 1.00 0.00 O ATOM 1077 CB ASN A 65 -14.365 -9.888 -2.788 1.00 0.00 C ATOM 1078 CG ASN A 65 -13.745 -10.921 -1.863 1.00 0.00 C ATOM 1079 OD1 ASN A 65 -13.033 -10.455 -0.843 1.00 0.00 O flip ATOM 1080 ND2 ASN A 65 -13.907 -12.125 -2.063 1.00 0.00 N flip ATOM 0 H ASN A 65 -11.334 -8.933 -2.723 1.00 0.00 H new ATOM 0 HA ASN A 65 -13.640 -8.483 -4.247 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -15.195 -9.401 -2.276 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -14.780 -10.392 -3.661 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -14.462 -12.440 -2.859 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -13.487 -12.808 -1.433 1.00 0.00 H new ATOM 1087 N GLU A 66 -14.600 -7.094 -2.074 1.00 0.00 N ATOM 1088 CA GLU A 66 -14.773 -5.946 -1.188 1.00 0.00 C ATOM 1089 C GLU A 66 -14.122 -6.196 0.167 1.00 0.00 C ATOM 1090 O GLU A 66 -13.617 -5.270 0.803 1.00 0.00 O ATOM 1091 CB GLU A 66 -16.259 -5.634 -0.998 1.00 0.00 C ATOM 1092 CG GLU A 66 -17.113 -6.866 -0.741 1.00 0.00 C ATOM 1093 CD GLU A 66 -17.681 -6.903 0.664 1.00 0.00 C ATOM 1094 OE1 GLU A 66 -18.429 -5.970 1.026 1.00 0.00 O ATOM 1095 OE2 GLU A 66 -17.378 -7.863 1.402 1.00 0.00 O ATOM 0 H GLU A 66 -15.465 -7.440 -2.489 1.00 0.00 H new ATOM 0 HA GLU A 66 -14.285 -5.090 -1.654 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -16.372 -4.943 -0.163 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -16.631 -5.124 -1.886 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -17.932 -6.892 -1.460 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -16.513 -7.760 -0.909 1.00 0.00 H new ATOM 1102 N SER A 67 -14.130 -7.453 0.603 1.00 0.00 N ATOM 1103 CA SER A 67 -13.534 -7.822 1.884 1.00 0.00 C ATOM 1104 C SER A 67 -12.122 -7.258 2.000 1.00 0.00 C ATOM 1105 O SER A 67 -11.799 -6.547 2.954 1.00 0.00 O ATOM 1106 CB SER A 67 -13.505 -9.344 2.038 1.00 0.00 C ATOM 1107 OG SER A 67 -13.927 -9.734 3.333 1.00 0.00 O ATOM 0 H SER A 67 -14.542 -8.232 0.089 1.00 0.00 H new ATOM 0 HA SER A 67 -14.145 -7.398 2.681 1.00 0.00 H new ATOM 0 HB2 SER A 67 -14.151 -9.801 1.289 1.00 0.00 H new ATOM 0 HB3 SER A 67 -12.495 -9.712 1.855 1.00 0.00 H new ATOM 0 HG SER A 67 -13.901 -10.711 3.405 1.00 0.00 H new ATOM 1113 N GLU A 68 -11.285 -7.569 1.015 1.00 0.00 N ATOM 1114 CA GLU A 68 -9.914 -7.082 1.002 1.00 0.00 C ATOM 1115 C GLU A 68 -9.895 -5.574 0.790 1.00 0.00 C ATOM 1116 O GLU A 68 -9.288 -4.837 1.563 1.00 0.00 O ATOM 1117 CB GLU A 68 -9.098 -7.773 -0.094 1.00 0.00 C ATOM 1118 CG GLU A 68 -9.483 -9.228 -0.324 1.00 0.00 C ATOM 1119 CD GLU A 68 -8.298 -10.091 -0.711 1.00 0.00 C ATOM 1120 OE1 GLU A 68 -7.277 -9.529 -1.160 1.00 0.00 O ATOM 1121 OE2 GLU A 68 -8.392 -11.328 -0.565 1.00 0.00 O ATOM 0 H GLU A 68 -11.533 -8.155 0.218 1.00 0.00 H new ATOM 0 HA GLU A 68 -9.462 -7.315 1.966 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -9.221 -7.223 -1.027 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -8.041 -7.724 0.168 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -9.938 -9.627 0.583 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -10.238 -9.281 -1.109 1.00 0.00 H new ATOM 1128 N ARG A 69 -10.575 -5.120 -0.262 1.00 0.00 N ATOM 1129 CA ARG A 69 -10.645 -3.695 -0.581 1.00 0.00 C ATOM 1130 C ARG A 69 -10.928 -2.862 0.668 1.00 0.00 C ATOM 1131 O ARG A 69 -10.497 -1.713 0.770 1.00 0.00 O ATOM 1132 CB ARG A 69 -11.729 -3.444 -1.632 1.00 0.00 C ATOM 1133 CG ARG A 69 -11.880 -1.980 -2.015 1.00 0.00 C ATOM 1134 CD ARG A 69 -13.089 -1.349 -1.342 1.00 0.00 C ATOM 1135 NE ARG A 69 -12.807 0.002 -0.863 1.00 0.00 N ATOM 1136 CZ ARG A 69 -13.550 0.638 0.040 1.00 0.00 C ATOM 1137 NH1 ARG A 69 -14.619 0.052 0.562 1.00 0.00 N ATOM 1138 NH2 ARG A 69 -13.222 1.864 0.421 1.00 0.00 N ATOM 0 H ARG A 69 -11.086 -5.720 -0.909 1.00 0.00 H new ATOM 0 HA ARG A 69 -9.677 -3.391 -0.980 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -11.497 -4.023 -2.526 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -12.683 -3.812 -1.253 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -10.979 -1.434 -1.733 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -11.979 -1.894 -3.097 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -13.920 -1.318 -2.046 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -13.404 -1.972 -0.505 1.00 0.00 H new ATOM 0 HE ARG A 69 -11.993 0.486 -1.243 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -14.876 -0.892 0.272 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -15.184 0.545 1.254 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -12.401 2.319 0.022 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -13.791 2.352 1.113 1.00 0.00 H new ATOM 1152 N ASN A 70 -11.650 -3.451 1.616 1.00 0.00 N ATOM 1153 CA ASN A 70 -11.983 -2.765 2.858 1.00 0.00 C ATOM 1154 C ASN A 70 -10.813 -2.820 3.836 1.00 0.00 C ATOM 1155 O ASN A 70 -10.624 -1.910 4.645 1.00 0.00 O ATOM 1156 CB ASN A 70 -13.231 -3.386 3.491 1.00 0.00 C ATOM 1157 CG ASN A 70 -14.387 -2.409 3.567 1.00 0.00 C ATOM 1158 OD1 ASN A 70 -14.227 -1.272 4.011 1.00 0.00 O ATOM 1159 ND2 ASN A 70 -15.562 -2.847 3.130 1.00 0.00 N ATOM 0 H ASN A 70 -12.015 -4.401 1.547 1.00 0.00 H new ATOM 0 HA ASN A 70 -12.189 -1.720 2.626 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -13.533 -4.258 2.911 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -12.990 -3.738 4.494 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -16.376 -2.233 3.155 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -15.650 -3.797 2.770 1.00 0.00 H new ATOM 1166 N GLU A 71 -10.028 -3.889 3.753 1.00 0.00 N ATOM 1167 CA GLU A 71 -8.874 -4.059 4.625 1.00 0.00 C ATOM 1168 C GLU A 71 -7.659 -3.330 4.060 1.00 0.00 C ATOM 1169 O GLU A 71 -6.833 -2.805 4.806 1.00 0.00 O ATOM 1170 CB GLU A 71 -8.555 -5.545 4.800 1.00 0.00 C ATOM 1171 CG GLU A 71 -7.886 -5.872 6.125 1.00 0.00 C ATOM 1172 CD GLU A 71 -8.885 -6.113 7.240 1.00 0.00 C ATOM 1173 OE1 GLU A 71 -9.842 -6.887 7.021 1.00 0.00 O ATOM 1174 OE2 GLU A 71 -8.713 -5.530 8.329 1.00 0.00 O ATOM 0 H GLU A 71 -10.171 -4.651 3.090 1.00 0.00 H new ATOM 0 HA GLU A 71 -9.116 -3.630 5.598 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -9.478 -6.118 4.718 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -7.906 -5.867 3.986 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -7.262 -6.758 6.004 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -7.225 -5.052 6.406 1.00 0.00 H new ATOM 1181 N ILE A 72 -7.560 -3.300 2.733 1.00 0.00 N ATOM 1182 CA ILE A 72 -6.448 -2.635 2.066 1.00 0.00 C ATOM 1183 C ILE A 72 -6.564 -1.118 2.185 1.00 0.00 C ATOM 1184 O ILE A 72 -5.560 -0.407 2.181 1.00 0.00 O ATOM 1185 CB ILE A 72 -6.374 -3.011 0.571 1.00 0.00 C ATOM 1186 CG1 ILE A 72 -6.507 -4.529 0.390 1.00 0.00 C ATOM 1187 CG2 ILE A 72 -5.073 -2.504 -0.032 1.00 0.00 C ATOM 1188 CD1 ILE A 72 -6.151 -5.020 -0.998 1.00 0.00 C ATOM 0 H ILE A 72 -8.236 -3.728 2.101 1.00 0.00 H new ATOM 0 HA ILE A 72 -5.539 -2.973 2.564 1.00 0.00 H new ATOM 0 HB ILE A 72 -7.204 -2.536 0.048 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -5.865 -5.028 1.116 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -7.532 -4.823 0.616 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -5.031 -2.775 -1.087 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -5.025 -1.420 0.067 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -4.230 -2.954 0.492 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -6.271 -6.102 -1.043 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -6.809 -4.551 -1.730 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -5.116 -4.760 -1.222 1.00 0.00 H new ATOM 1200 N PHE A 73 -7.796 -0.629 2.285 1.00 0.00 N ATOM 1201 CA PHE A 73 -8.042 0.805 2.399 1.00 0.00 C ATOM 1202 C PHE A 73 -7.737 1.304 3.809 1.00 0.00 C ATOM 1203 O PHE A 73 -7.243 2.416 3.989 1.00 0.00 O ATOM 1204 CB PHE A 73 -9.493 1.124 2.035 1.00 0.00 C ATOM 1205 CG PHE A 73 -9.686 2.513 1.502 1.00 0.00 C ATOM 1206 CD1 PHE A 73 -9.037 2.923 0.347 1.00 0.00 C ATOM 1207 CD2 PHE A 73 -10.516 3.411 2.152 1.00 0.00 C ATOM 1208 CE1 PHE A 73 -9.213 4.202 -0.148 1.00 0.00 C ATOM 1209 CE2 PHE A 73 -10.697 4.692 1.663 1.00 0.00 C ATOM 1210 CZ PHE A 73 -10.043 5.087 0.512 1.00 0.00 C ATOM 0 H PHE A 73 -8.639 -1.203 2.289 1.00 0.00 H new ATOM 0 HA PHE A 73 -7.377 1.317 1.703 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -9.838 0.407 1.290 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -10.118 0.992 2.918 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -8.386 2.235 -0.172 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -11.029 3.107 3.053 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -8.702 4.508 -1.049 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -11.348 5.382 2.180 1.00 0.00 H new ATOM 0 HZ PHE A 73 -10.181 6.087 0.129 1.00 0.00 H new ATOM 1220 N GLN A 74 -8.037 0.476 4.803 1.00 0.00 N ATOM 1221 CA GLN A 74 -7.794 0.838 6.196 1.00 0.00 C ATOM 1222 C GLN A 74 -6.329 0.632 6.570 1.00 0.00 C ATOM 1223 O GLN A 74 -5.810 1.296 7.468 1.00 0.00 O ATOM 1224 CB GLN A 74 -8.689 0.011 7.122 1.00 0.00 C ATOM 1225 CG GLN A 74 -8.383 -1.478 7.091 1.00 0.00 C ATOM 1226 CD GLN A 74 -9.326 -2.287 7.960 1.00 0.00 C ATOM 1227 OE1 GLN A 74 -9.067 -2.500 9.145 1.00 0.00 O ATOM 1228 NE2 GLN A 74 -10.428 -2.739 7.374 1.00 0.00 N ATOM 0 H GLN A 74 -8.448 -0.448 4.672 1.00 0.00 H new ATOM 0 HA GLN A 74 -8.033 1.895 6.315 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -8.577 0.376 8.143 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -9.731 0.166 6.841 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -8.445 -1.836 6.063 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -7.358 -1.641 7.424 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -10.601 -2.538 6.389 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -11.102 -3.287 7.909 1.00 0.00 H new ATOM 1237 N LYS A 75 -5.669 -0.293 5.881 1.00 0.00 N ATOM 1238 CA LYS A 75 -4.265 -0.586 6.147 1.00 0.00 C ATOM 1239 C LYS A 75 -3.362 0.504 5.580 1.00 0.00 C ATOM 1240 O LYS A 75 -2.377 0.897 6.209 1.00 0.00 O ATOM 1241 CB LYS A 75 -3.883 -1.941 5.550 1.00 0.00 C ATOM 1242 CG LYS A 75 -4.472 -3.124 6.302 1.00 0.00 C ATOM 1243 CD LYS A 75 -3.671 -3.442 7.555 1.00 0.00 C ATOM 1244 CE LYS A 75 -4.349 -4.518 8.388 1.00 0.00 C ATOM 1245 NZ LYS A 75 -4.228 -4.249 9.848 1.00 0.00 N ATOM 0 H LYS A 75 -6.083 -0.852 5.135 1.00 0.00 H new ATOM 0 HA LYS A 75 -4.127 -0.620 7.228 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -4.215 -1.978 4.513 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -2.797 -2.031 5.540 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -5.505 -2.906 6.575 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -4.492 -3.997 5.650 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -2.671 -3.773 7.275 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -3.553 -2.538 8.152 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -5.403 -4.577 8.116 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -3.906 -5.487 8.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -4.703 -5.005 10.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -3.223 -4.217 10.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -4.674 -3.336 10.071 1.00 0.00 H new ATOM 1259 N ILE A 76 -3.696 0.991 4.390 1.00 0.00 N ATOM 1260 CA ILE A 76 -2.908 2.034 3.745 1.00 0.00 C ATOM 1261 C ILE A 76 -3.112 3.379 4.434 1.00 0.00 C ATOM 1262 O ILE A 76 -2.206 4.210 4.477 1.00 0.00 O ATOM 1263 CB ILE A 76 -3.262 2.168 2.250 1.00 0.00 C ATOM 1264 CG1 ILE A 76 -2.291 3.126 1.559 1.00 0.00 C ATOM 1265 CG2 ILE A 76 -4.698 2.640 2.074 1.00 0.00 C ATOM 1266 CD1 ILE A 76 -0.972 2.485 1.185 1.00 0.00 C ATOM 0 H ILE A 76 -4.506 0.681 3.853 1.00 0.00 H new ATOM 0 HA ILE A 76 -1.862 1.741 3.832 1.00 0.00 H new ATOM 0 HB ILE A 76 -3.171 1.186 1.786 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -2.762 3.521 0.659 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -2.100 3.974 2.217 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -4.925 2.727 1.011 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -5.376 1.920 2.532 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -4.823 3.611 2.552 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -0.334 3.223 0.699 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -0.479 2.115 2.084 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -1.152 1.655 0.502 1.00 0.00 H new ATOM 1278 N SER A 77 -4.308 3.584 4.974 1.00 0.00 N ATOM 1279 CA SER A 77 -4.629 4.826 5.667 1.00 0.00 C ATOM 1280 C SER A 77 -4.539 4.644 7.178 1.00 0.00 C ATOM 1281 O SER A 77 -5.197 5.350 7.940 1.00 0.00 O ATOM 1282 CB SER A 77 -6.031 5.303 5.281 1.00 0.00 C ATOM 1283 OG SER A 77 -6.392 6.468 6.004 1.00 0.00 O ATOM 0 H SER A 77 -5.070 2.907 4.945 1.00 0.00 H new ATOM 0 HA SER A 77 -3.901 5.580 5.366 1.00 0.00 H new ATOM 0 HB2 SER A 77 -6.066 5.510 4.211 1.00 0.00 H new ATOM 0 HB3 SER A 77 -6.754 4.511 5.477 1.00 0.00 H new ATOM 0 HG SER A 77 -5.859 6.522 6.824 1.00 0.00 H new ATOM 1289 N GLN A 78 -3.719 3.688 7.606 1.00 0.00 N ATOM 1290 CA GLN A 78 -3.541 3.412 9.027 1.00 0.00 C ATOM 1291 C GLN A 78 -2.971 4.627 9.751 1.00 0.00 C ATOM 1292 O GLN A 78 -3.524 5.084 10.751 1.00 0.00 O ATOM 1293 CB GLN A 78 -2.620 2.204 9.223 1.00 0.00 C ATOM 1294 CG GLN A 78 -3.235 1.102 10.070 1.00 0.00 C ATOM 1295 CD GLN A 78 -3.342 1.482 11.533 1.00 0.00 C ATOM 1296 OE1 GLN A 78 -2.470 1.153 12.337 1.00 0.00 O ATOM 1297 NE2 GLN A 78 -4.416 2.178 11.888 1.00 0.00 N ATOM 0 H GLN A 78 -3.168 3.092 6.989 1.00 0.00 H new ATOM 0 HA GLN A 78 -4.519 3.186 9.453 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -2.356 1.796 8.247 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -1.693 2.536 9.691 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -4.227 0.865 9.687 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -2.633 0.198 9.976 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -5.115 2.430 11.189 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -4.542 2.461 12.860 1.00 0.00 H new ATOM 1306 N LEU A 79 -1.859 5.146 9.237 1.00 0.00 N ATOM 1307 CA LEU A 79 -1.211 6.309 9.833 1.00 0.00 C ATOM 1308 C LEU A 79 -2.149 7.512 9.837 1.00 0.00 C ATOM 1309 O LEU A 79 -3.313 7.407 9.452 1.00 0.00 O ATOM 1310 CB LEU A 79 0.073 6.648 9.073 1.00 0.00 C ATOM 1311 CG LEU A 79 1.351 6.046 9.659 1.00 0.00 C ATOM 1312 CD1 LEU A 79 1.642 6.639 11.029 1.00 0.00 C ATOM 1313 CD2 LEU A 79 1.235 4.532 9.745 1.00 0.00 C ATOM 0 H LEU A 79 -1.389 4.779 8.410 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.959 6.066 10.865 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -0.032 6.307 8.043 1.00 0.00 H new ATOM 0 HB3 LEU A 79 0.182 7.732 9.040 1.00 0.00 H new ATOM 0 HG LEU A 79 2.182 6.290 8.997 1.00 0.00 H new ATOM 0 HD11 LEU A 79 2.555 6.198 11.430 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.769 7.718 10.939 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.811 6.426 11.702 1.00 0.00 H new ATOM 0 HD21 LEU A 79 2.153 4.120 10.164 1.00 0.00 H new ATOM 0 HD22 LEU A 79 0.393 4.267 10.385 1.00 0.00 H new ATOM 0 HD23 LEU A 79 1.076 4.122 8.748 1.00 0.00 H new ATOM 1325 N ASP A 80 -1.631 8.656 10.275 1.00 0.00 N ATOM 1326 CA ASP A 80 -2.420 9.881 10.329 1.00 0.00 C ATOM 1327 C ASP A 80 -1.809 10.961 9.442 1.00 0.00 C ATOM 1328 O ASP A 80 -1.915 12.152 9.735 1.00 0.00 O ATOM 1329 CB ASP A 80 -2.521 10.383 11.771 1.00 0.00 C ATOM 1330 CG ASP A 80 -3.879 10.982 12.079 1.00 0.00 C ATOM 1331 OD1 ASP A 80 -4.246 11.988 11.435 1.00 0.00 O ATOM 1332 OD2 ASP A 80 -4.577 10.445 12.965 1.00 0.00 O ATOM 0 H ASP A 80 -0.669 8.759 10.597 1.00 0.00 H new ATOM 0 HA ASP A 80 -3.421 9.657 9.959 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -2.327 9.557 12.455 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -1.748 11.131 11.948 1.00 0.00 H new ATOM 1337 N LYS A 81 -1.171 10.537 8.356 1.00 0.00 N ATOM 1338 CA LYS A 81 -0.543 11.468 7.425 1.00 0.00 C ATOM 1339 C LYS A 81 -1.420 11.676 6.194 1.00 0.00 C ATOM 1340 O LYS A 81 -1.789 12.803 5.866 1.00 0.00 O ATOM 1341 CB LYS A 81 0.834 10.948 7.004 1.00 0.00 C ATOM 1342 CG LYS A 81 1.798 10.769 8.166 1.00 0.00 C ATOM 1343 CD LYS A 81 2.250 12.108 8.725 1.00 0.00 C ATOM 1344 CE LYS A 81 2.574 12.011 10.207 1.00 0.00 C ATOM 1345 NZ LYS A 81 3.783 11.180 10.459 1.00 0.00 N ATOM 0 H LYS A 81 -1.075 9.555 8.099 1.00 0.00 H new ATOM 0 HA LYS A 81 -0.422 12.426 7.930 1.00 0.00 H new ATOM 0 HB2 LYS A 81 0.712 9.993 6.494 1.00 0.00 H new ATOM 0 HB3 LYS A 81 1.270 11.641 6.284 1.00 0.00 H new ATOM 0 HG2 LYS A 81 1.317 10.188 8.953 1.00 0.00 H new ATOM 0 HG3 LYS A 81 2.667 10.200 7.835 1.00 0.00 H new ATOM 0 HD2 LYS A 81 3.129 12.453 8.181 1.00 0.00 H new ATOM 0 HD3 LYS A 81 1.468 12.851 8.570 1.00 0.00 H new ATOM 0 HE2 LYS A 81 2.731 13.011 10.610 1.00 0.00 H new ATOM 0 HE3 LYS A 81 1.723 11.583 10.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 4.236 11.485 11.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 3.507 10.180 10.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 4.452 11.293 9.671 1.00 0.00 H new ATOM 1359 N VAL A 82 -1.748 10.579 5.517 1.00 0.00 N ATOM 1360 CA VAL A 82 -2.581 10.631 4.320 1.00 0.00 C ATOM 1361 C VAL A 82 -3.818 11.498 4.537 1.00 0.00 C ATOM 1362 O VAL A 82 -4.458 11.431 5.587 1.00 0.00 O ATOM 1363 CB VAL A 82 -3.028 9.224 3.885 1.00 0.00 C ATOM 1364 CG1 VAL A 82 -1.825 8.368 3.516 1.00 0.00 C ATOM 1365 CG2 VAL A 82 -3.849 8.558 4.980 1.00 0.00 C ATOM 0 H VAL A 82 -1.448 9.640 5.779 1.00 0.00 H new ATOM 0 HA VAL A 82 -1.968 11.072 3.534 1.00 0.00 H new ATOM 0 HB VAL A 82 -3.658 9.324 3.001 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -2.163 7.377 3.211 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.284 8.836 2.693 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -1.165 8.277 4.379 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -4.155 7.565 4.652 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.247 8.472 5.885 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -4.734 9.160 5.188 1.00 0.00 H new ATOM 1375 N VAL A 83 -4.146 12.310 3.540 1.00 0.00 N ATOM 1376 CA VAL A 83 -5.304 13.190 3.620 1.00 0.00 C ATOM 1377 C VAL A 83 -6.266 12.938 2.464 1.00 0.00 C ATOM 1378 O VAL A 83 -7.478 12.862 2.656 1.00 0.00 O ATOM 1379 CB VAL A 83 -4.872 14.668 3.610 1.00 0.00 C ATOM 1380 CG1 VAL A 83 -6.082 15.588 3.680 1.00 0.00 C ATOM 1381 CG2 VAL A 83 -3.915 14.948 4.759 1.00 0.00 C ATOM 0 H VAL A 83 -3.625 12.377 2.665 1.00 0.00 H new ATOM 0 HA VAL A 83 -5.813 12.972 4.559 1.00 0.00 H new ATOM 0 HB VAL A 83 -4.353 14.867 2.672 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -5.751 16.626 3.672 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -6.728 15.406 2.821 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -6.636 15.391 4.598 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.619 15.997 4.738 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -4.409 14.729 5.706 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.031 14.319 4.657 1.00 0.00 H new ATOM 1391 N GLN A 84 -5.717 12.810 1.259 1.00 0.00 N ATOM 1392 CA GLN A 84 -6.528 12.567 0.072 1.00 0.00 C ATOM 1393 C GLN A 84 -6.392 11.120 -0.393 1.00 0.00 C ATOM 1394 O GLN A 84 -5.284 10.598 -0.513 1.00 0.00 O ATOM 1395 CB GLN A 84 -6.118 13.518 -1.055 1.00 0.00 C ATOM 1396 CG GLN A 84 -7.291 14.026 -1.878 1.00 0.00 C ATOM 1397 CD GLN A 84 -6.866 14.541 -3.239 1.00 0.00 C ATOM 1398 OE1 GLN A 84 -6.291 15.622 -3.356 1.00 0.00 O ATOM 1399 NE2 GLN A 84 -7.151 13.765 -4.279 1.00 0.00 N ATOM 0 H GLN A 84 -4.715 12.871 1.080 1.00 0.00 H new ATOM 0 HA GLN A 84 -7.571 12.750 0.331 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -5.589 14.370 -0.627 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -5.417 13.006 -1.714 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -8.015 13.222 -2.007 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -7.795 14.824 -1.332 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -7.629 12.876 -4.136 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -6.891 14.059 -5.221 1.00 0.00 H new ATOM 1408 N THR A 85 -7.528 10.479 -0.652 1.00 0.00 N ATOM 1409 CA THR A 85 -7.537 9.092 -1.103 1.00 0.00 C ATOM 1410 C THR A 85 -8.498 8.905 -2.272 1.00 0.00 C ATOM 1411 O THR A 85 -9.473 9.644 -2.410 1.00 0.00 O ATOM 1412 CB THR A 85 -7.928 8.163 0.046 1.00 0.00 C ATOM 1413 OG1 THR A 85 -9.245 8.440 0.489 1.00 0.00 O ATOM 1414 CG2 THR A 85 -7.010 8.274 1.245 1.00 0.00 C ATOM 0 H THR A 85 -8.453 10.898 -0.557 1.00 0.00 H new ATOM 0 HA THR A 85 -6.531 8.840 -1.439 1.00 0.00 H new ATOM 0 HB THR A 85 -7.850 7.154 -0.360 1.00 0.00 H new ATOM 0 HG1 THR A 85 -9.477 7.834 1.223 1.00 0.00 H new ATOM 0 HG21 THR A 85 -7.344 7.588 2.024 1.00 0.00 H new ATOM 0 HG22 THR A 85 -5.992 8.019 0.949 1.00 0.00 H new ATOM 0 HG23 THR A 85 -7.032 9.295 1.627 1.00 0.00 H new ATOM 1422 N LEU A 86 -8.216 7.914 -3.110 1.00 0.00 N ATOM 1423 CA LEU A 86 -9.056 7.629 -4.267 1.00 0.00 C ATOM 1424 C LEU A 86 -9.421 6.149 -4.323 1.00 0.00 C ATOM 1425 O LEU A 86 -10.530 5.797 -3.868 1.00 0.00 O ATOM 1426 CB LEU A 86 -8.340 8.044 -5.556 1.00 0.00 C ATOM 1427 CG LEU A 86 -8.782 9.386 -6.139 1.00 0.00 C ATOM 1428 CD1 LEU A 86 -7.655 10.016 -6.942 1.00 0.00 C ATOM 1429 CD2 LEU A 86 -10.021 9.206 -7.006 1.00 0.00 C ATOM 1430 OXT LEU A 86 -8.595 5.355 -4.821 1.00 0.00 O ATOM 0 H LEU A 86 -7.412 7.294 -3.010 1.00 0.00 H new ATOM 0 HA LEU A 86 -9.976 8.205 -4.170 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -7.268 8.085 -5.361 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -8.498 7.270 -6.307 1.00 0.00 H new ATOM 0 HG LEU A 86 -9.031 10.055 -5.316 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -7.988 10.971 -7.349 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -6.794 10.179 -6.294 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -7.374 9.351 -7.759 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -10.323 10.171 -7.414 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -9.797 8.521 -7.823 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -10.831 8.797 -6.402 1.00 0.00 H new