USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=21 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 Set 1.1: A 27 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 CYS SG : rot 180:sc= 0.0286 USER MOD Single : A 18 TYR OH : rot -140:sc= -1.75 USER MOD Single : A 22 MET CE :methyl -163:sc= -1.26 (180deg=-1.44) USER MOD Single : A 23 THR OG1 : rot 66:sc= -3.13! USER MOD Single : A 24 THR OG1 : rot -90:sc= -1.21 USER MOD Single : A 25 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0787) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot -71:sc= 1.27 USER MOD Single : A 37 TYR OH : rot 180:sc= -1.05 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=-0.0086) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= -0.29 USER MOD Single : A 58 ASN : amide:sc= -1.52 K(o=-1.5,f=-7.4!) USER MOD Single : A 60 SER OG : rot -73:sc= 1.27 USER MOD Single : A 61 MET CE :methyl -122:sc= -0.34 (180deg=-3.54!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= -2.96 K(o=-3,f=-7.5!) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=0.084) USER MOD Single : A 74 GLN : amide:sc= -1.53 X(o=-1.5,f=-1.7) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot -49:sc= 0.161 USER MOD Single : A 78 GLN : amide:sc= -0.212 X(o=-0.21,f=-0.042) USER MOD Single : A 81 LYS NZ :NH3+ -139:sc= -0.0164 (180deg=-0.163) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 85 THR OG1 : rot 180:sc= -0.329 USER MOD ----------------------------------------------------------------- ATOM 178 N TYR A 12 -14.267 -8.391 -7.997 1.00 0.00 N ATOM 179 CA TYR A 12 -13.051 -8.091 -8.745 1.00 0.00 C ATOM 180 C TYR A 12 -11.843 -8.789 -8.125 1.00 0.00 C ATOM 181 O TYR A 12 -11.172 -8.233 -7.260 1.00 0.00 O ATOM 182 CB TYR A 12 -12.809 -6.578 -8.792 1.00 0.00 C ATOM 183 CG TYR A 12 -13.180 -5.858 -7.513 1.00 0.00 C ATOM 184 CD1 TYR A 12 -12.297 -5.793 -6.441 1.00 0.00 C ATOM 185 CD2 TYR A 12 -14.418 -5.241 -7.379 1.00 0.00 C ATOM 186 CE1 TYR A 12 -12.636 -5.136 -5.275 1.00 0.00 C ATOM 187 CE2 TYR A 12 -14.764 -4.580 -6.216 1.00 0.00 C ATOM 188 CZ TYR A 12 -13.871 -4.531 -5.167 1.00 0.00 C ATOM 189 OH TYR A 12 -14.213 -3.875 -4.007 1.00 0.00 O ATOM 0 HA TYR A 12 -13.183 -8.462 -9.761 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -11.757 -6.395 -9.008 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -13.383 -6.154 -9.616 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -11.329 -6.265 -6.522 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -15.121 -5.279 -8.198 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -11.938 -5.096 -4.452 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -15.730 -4.104 -6.129 1.00 0.00 H new ATOM 0 HH TYR A 12 -15.116 -3.504 -4.095 1.00 0.00 H new ATOM 199 N PRO A 13 -11.551 -10.026 -8.557 1.00 0.00 N ATOM 200 CA PRO A 13 -10.432 -10.795 -8.041 1.00 0.00 C ATOM 201 C PRO A 13 -9.153 -10.583 -8.849 1.00 0.00 C ATOM 202 O PRO A 13 -8.679 -11.493 -9.529 1.00 0.00 O ATOM 203 CB PRO A 13 -10.936 -12.222 -8.190 1.00 0.00 C ATOM 204 CG PRO A 13 -11.758 -12.195 -9.439 1.00 0.00 C ATOM 205 CD PRO A 13 -12.298 -10.786 -9.576 1.00 0.00 C ATOM 0 HA PRO A 13 -10.158 -10.515 -7.024 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -10.110 -12.929 -8.272 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -11.531 -12.526 -7.329 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -11.154 -12.464 -10.306 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -12.572 -12.917 -9.382 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -12.129 -10.388 -10.576 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -13.372 -10.749 -9.395 1.00 0.00 H new ATOM 213 N CYS A 14 -8.602 -9.377 -8.767 1.00 0.00 N ATOM 214 CA CYS A 14 -7.378 -9.047 -9.489 1.00 0.00 C ATOM 215 C CYS A 14 -6.621 -7.922 -8.790 1.00 0.00 C ATOM 216 O CYS A 14 -7.065 -7.405 -7.764 1.00 0.00 O ATOM 217 CB CYS A 14 -7.706 -8.639 -10.927 1.00 0.00 C ATOM 218 SG CYS A 14 -6.506 -9.219 -12.150 1.00 0.00 S ATOM 0 H CYS A 14 -8.982 -8.613 -8.209 1.00 0.00 H new ATOM 0 HA CYS A 14 -6.743 -9.933 -9.504 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -8.691 -9.026 -11.188 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -7.767 -7.552 -10.980 1.00 0.00 H new ATOM 0 HG CYS A 14 -6.870 -8.827 -13.335 1.00 0.00 H new ATOM 224 N LEU A 15 -5.475 -7.550 -9.349 1.00 0.00 N ATOM 225 CA LEU A 15 -4.656 -6.486 -8.779 1.00 0.00 C ATOM 226 C LEU A 15 -5.334 -5.129 -8.948 1.00 0.00 C ATOM 227 O LEU A 15 -5.462 -4.623 -10.061 1.00 0.00 O ATOM 228 CB LEU A 15 -3.274 -6.469 -9.436 1.00 0.00 C ATOM 229 CG LEU A 15 -2.131 -6.968 -8.550 1.00 0.00 C ATOM 230 CD1 LEU A 15 -1.930 -6.040 -7.364 1.00 0.00 C ATOM 231 CD2 LEU A 15 -2.407 -8.388 -8.078 1.00 0.00 C ATOM 0 H LEU A 15 -5.092 -7.969 -10.196 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.539 -6.682 -7.713 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.309 -7.081 -10.337 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -3.051 -5.450 -9.752 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.214 -6.972 -9.139 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.113 -6.412 -6.746 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.688 -5.039 -7.722 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.845 -6.002 -6.772 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.585 -8.729 -7.449 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.334 -8.407 -7.505 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -2.500 -9.047 -8.941 1.00 0.00 H new ATOM 243 N TRP A 16 -5.765 -4.548 -7.833 1.00 0.00 N ATOM 244 CA TRP A 16 -6.429 -3.251 -7.856 1.00 0.00 C ATOM 245 C TRP A 16 -5.489 -2.147 -7.382 1.00 0.00 C ATOM 246 O TRP A 16 -4.774 -2.311 -6.392 1.00 0.00 O ATOM 247 CB TRP A 16 -7.680 -3.282 -6.978 1.00 0.00 C ATOM 248 CG TRP A 16 -8.652 -2.184 -7.288 1.00 0.00 C ATOM 249 CD1 TRP A 16 -8.552 -0.872 -6.923 1.00 0.00 C ATOM 250 CD2 TRP A 16 -9.873 -2.303 -8.029 1.00 0.00 C ATOM 251 NE1 TRP A 16 -9.636 -0.169 -7.391 1.00 0.00 N ATOM 252 CE2 TRP A 16 -10.460 -1.024 -8.074 1.00 0.00 C ATOM 253 CE3 TRP A 16 -10.524 -3.367 -8.661 1.00 0.00 C ATOM 254 CZ2 TRP A 16 -11.668 -0.781 -8.722 1.00 0.00 C ATOM 255 CZ3 TRP A 16 -11.724 -3.123 -9.304 1.00 0.00 C ATOM 256 CH2 TRP A 16 -12.284 -1.840 -9.332 1.00 0.00 C ATOM 0 H TRP A 16 -5.666 -4.955 -6.903 1.00 0.00 H new ATOM 0 HA TRP A 16 -6.719 -3.038 -8.885 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -8.178 -4.244 -7.102 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -7.383 -3.209 -5.932 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -7.740 -0.449 -6.350 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -9.800 0.828 -7.252 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -10.098 -4.359 -8.647 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -12.103 0.207 -8.743 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -12.238 -3.937 -9.793 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -13.221 -1.683 -9.845 1.00 0.00 H new ATOM 267 N ASP A 17 -5.495 -1.025 -8.094 1.00 0.00 N ATOM 268 CA ASP A 17 -4.644 0.107 -7.744 1.00 0.00 C ATOM 269 C ASP A 17 -5.392 1.089 -6.848 1.00 0.00 C ATOM 270 O ASP A 17 -6.582 1.334 -7.040 1.00 0.00 O ATOM 271 CB ASP A 17 -4.158 0.814 -9.012 1.00 0.00 C ATOM 272 CG ASP A 17 -2.651 0.753 -9.167 1.00 0.00 C ATOM 273 OD1 ASP A 17 -2.077 -0.338 -8.967 1.00 0.00 O ATOM 274 OD2 ASP A 17 -2.045 1.797 -9.491 1.00 0.00 O ATOM 0 H ASP A 17 -6.079 -0.875 -8.917 1.00 0.00 H new ATOM 0 HA ASP A 17 -3.781 -0.269 -7.195 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -4.629 0.357 -9.882 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -4.476 1.856 -8.988 1.00 0.00 H new ATOM 279 N TYR A 18 -4.688 1.647 -5.869 1.00 0.00 N ATOM 280 CA TYR A 18 -5.291 2.601 -4.945 1.00 0.00 C ATOM 281 C TYR A 18 -4.484 3.894 -4.893 1.00 0.00 C ATOM 282 O TYR A 18 -3.379 3.927 -4.353 1.00 0.00 O ATOM 283 CB TYR A 18 -5.392 1.992 -3.546 1.00 0.00 C ATOM 284 CG TYR A 18 -6.276 0.767 -3.481 1.00 0.00 C ATOM 285 CD1 TYR A 18 -7.650 0.869 -3.654 1.00 0.00 C ATOM 286 CD2 TYR A 18 -5.736 -0.490 -3.248 1.00 0.00 C ATOM 287 CE1 TYR A 18 -8.462 -0.248 -3.597 1.00 0.00 C ATOM 288 CE2 TYR A 18 -6.541 -1.613 -3.190 1.00 0.00 C ATOM 289 CZ TYR A 18 -7.902 -1.486 -3.364 1.00 0.00 C ATOM 290 OH TYR A 18 -8.706 -2.601 -3.306 1.00 0.00 O ATOM 0 H TYR A 18 -3.701 1.456 -5.695 1.00 0.00 H new ATOM 0 HA TYR A 18 -6.293 2.835 -5.306 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -4.392 1.727 -3.201 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -5.777 2.745 -2.858 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -8.092 1.838 -3.836 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -4.670 -0.593 -3.110 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -9.529 -0.152 -3.734 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -6.105 -2.585 -3.009 1.00 0.00 H new ATOM 0 HH TYR A 18 -8.396 -3.191 -2.588 1.00 0.00 H new ATOM 300 N ARG A 19 -5.048 4.958 -5.458 1.00 0.00 N ATOM 301 CA ARG A 19 -4.384 6.256 -5.474 1.00 0.00 C ATOM 302 C ARG A 19 -4.509 6.940 -4.117 1.00 0.00 C ATOM 303 O ARG A 19 -5.545 7.526 -3.799 1.00 0.00 O ATOM 304 CB ARG A 19 -4.982 7.143 -6.568 1.00 0.00 C ATOM 305 CG ARG A 19 -3.936 7.835 -7.430 1.00 0.00 C ATOM 306 CD ARG A 19 -3.998 9.346 -7.279 1.00 0.00 C ATOM 307 NE ARG A 19 -5.193 9.911 -7.901 1.00 0.00 N ATOM 308 CZ ARG A 19 -5.670 11.122 -7.626 1.00 0.00 C ATOM 309 NH1 ARG A 19 -5.058 11.899 -6.741 1.00 0.00 N ATOM 310 NH2 ARG A 19 -6.764 11.558 -8.236 1.00 0.00 N ATOM 0 H ARG A 19 -5.962 4.946 -5.910 1.00 0.00 H new ATOM 0 HA ARG A 19 -3.326 6.099 -5.686 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -5.623 6.536 -7.207 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -5.617 7.898 -6.105 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -2.943 7.481 -7.152 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -4.089 7.567 -8.475 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -3.984 9.605 -6.220 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -3.111 9.792 -7.728 1.00 0.00 H new ATOM 0 HE ARG A 19 -5.691 9.343 -8.587 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -4.217 11.569 -6.268 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -5.429 12.827 -6.534 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -7.240 10.965 -8.916 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -7.130 12.487 -8.025 1.00 0.00 H new ATOM 324 N VAL A 20 -3.452 6.858 -3.317 1.00 0.00 N ATOM 325 CA VAL A 20 -3.445 7.463 -1.991 1.00 0.00 C ATOM 326 C VAL A 20 -2.405 8.574 -1.893 1.00 0.00 C ATOM 327 O VAL A 20 -1.208 8.331 -2.048 1.00 0.00 O ATOM 328 CB VAL A 20 -3.157 6.415 -0.899 1.00 0.00 C ATOM 329 CG1 VAL A 20 -3.352 7.015 0.484 1.00 0.00 C ATOM 330 CG2 VAL A 20 -4.037 5.187 -1.090 1.00 0.00 C ATOM 0 H VAL A 20 -2.587 6.377 -3.565 1.00 0.00 H new ATOM 0 HA VAL A 20 -4.438 7.884 -1.834 1.00 0.00 H new ATOM 0 HB VAL A 20 -2.117 6.102 -0.987 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.144 6.259 1.241 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -2.672 7.857 0.615 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -4.381 7.360 0.589 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -3.819 4.458 -0.309 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -5.086 5.478 -1.032 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -3.837 4.744 -2.066 1.00 0.00 H new ATOM 340 N ILE A 21 -2.868 9.792 -1.628 1.00 0.00 N ATOM 341 CA ILE A 21 -1.973 10.937 -1.503 1.00 0.00 C ATOM 342 C ILE A 21 -1.963 11.468 -0.075 1.00 0.00 C ATOM 343 O ILE A 21 -3.010 11.595 0.558 1.00 0.00 O ATOM 344 CB ILE A 21 -2.372 12.087 -2.455 1.00 0.00 C ATOM 345 CG1 ILE A 21 -2.888 11.554 -3.800 1.00 0.00 C ATOM 346 CG2 ILE A 21 -1.193 13.025 -2.667 1.00 0.00 C ATOM 347 CD1 ILE A 21 -2.092 10.393 -4.367 1.00 0.00 C ATOM 0 H ILE A 21 -3.855 10.011 -1.496 1.00 0.00 H new ATOM 0 HA ILE A 21 -0.978 10.583 -1.774 1.00 0.00 H new ATOM 0 HB ILE A 21 -3.186 12.642 -1.989 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -3.925 11.241 -3.678 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -2.884 12.368 -4.524 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -1.486 13.831 -3.339 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -0.885 13.445 -1.709 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -0.362 12.472 -3.104 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -2.528 10.083 -5.317 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -1.059 10.703 -4.526 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -2.117 9.558 -3.666 1.00 0.00 H new ATOM 359 N MET A 22 -0.772 11.777 0.430 1.00 0.00 N ATOM 360 CA MET A 22 -0.628 12.293 1.780 1.00 0.00 C ATOM 361 C MET A 22 -0.136 13.733 1.755 1.00 0.00 C ATOM 362 O MET A 22 0.649 14.117 0.887 1.00 0.00 O ATOM 363 CB MET A 22 0.345 11.427 2.583 1.00 0.00 C ATOM 364 CG MET A 22 0.213 9.934 2.315 1.00 0.00 C ATOM 365 SD MET A 22 1.790 9.156 1.913 1.00 0.00 S ATOM 366 CE MET A 22 1.318 8.135 0.518 1.00 0.00 C ATOM 0 H MET A 22 0.106 11.677 -0.079 1.00 0.00 H new ATOM 0 HA MET A 22 -1.607 12.265 2.259 1.00 0.00 H new ATOM 0 HB2 MET A 22 1.365 11.738 2.355 1.00 0.00 H new ATOM 0 HB3 MET A 22 0.186 11.610 3.646 1.00 0.00 H new ATOM 0 HG2 MET A 22 -0.214 9.448 3.192 1.00 0.00 H new ATOM 0 HG3 MET A 22 -0.485 9.777 1.493 1.00 0.00 H new ATOM 0 HE1 MET A 22 2.083 7.378 0.346 1.00 0.00 H new ATOM 0 HE2 MET A 22 0.366 7.648 0.729 1.00 0.00 H new ATOM 0 HE3 MET A 22 1.218 8.758 -0.371 1.00 0.00 H new ATOM 376 N THR A 23 -0.600 14.525 2.711 1.00 0.00 N ATOM 377 CA THR A 23 -0.204 15.925 2.798 1.00 0.00 C ATOM 378 C THR A 23 0.414 16.227 4.159 1.00 0.00 C ATOM 379 O THR A 23 -0.172 16.931 4.982 1.00 0.00 O ATOM 380 CB THR A 23 -1.410 16.834 2.548 1.00 0.00 C ATOM 381 OG1 THR A 23 -2.224 16.929 3.704 1.00 0.00 O ATOM 382 CG2 THR A 23 -2.287 16.363 1.407 1.00 0.00 C ATOM 0 H THR A 23 -1.250 14.224 3.437 1.00 0.00 H new ATOM 0 HA THR A 23 0.546 16.118 2.031 1.00 0.00 H new ATOM 0 HB THR A 23 -0.987 17.804 2.287 1.00 0.00 H new ATOM 0 HG1 THR A 23 -1.729 17.386 4.416 1.00 0.00 H new ATOM 0 HG21 THR A 23 -3.123 17.051 1.283 1.00 0.00 H new ATOM 0 HG22 THR A 23 -1.702 16.332 0.487 1.00 0.00 H new ATOM 0 HG23 THR A 23 -2.668 15.366 1.628 1.00 0.00 H new ATOM 390 N THR A 24 1.604 15.686 4.390 1.00 0.00 N ATOM 391 CA THR A 24 2.306 15.894 5.652 1.00 0.00 C ATOM 392 C THR A 24 3.804 16.061 5.422 1.00 0.00 C ATOM 393 O THR A 24 4.310 15.796 4.332 1.00 0.00 O ATOM 394 CB THR A 24 2.049 14.722 6.599 1.00 0.00 C ATOM 395 OG1 THR A 24 0.811 14.100 6.303 1.00 0.00 O ATOM 396 CG2 THR A 24 2.023 15.126 8.056 1.00 0.00 C ATOM 0 H THR A 24 2.103 15.100 3.721 1.00 0.00 H new ATOM 0 HA THR A 24 1.925 16.809 6.105 1.00 0.00 H new ATOM 0 HB THR A 24 2.882 14.036 6.443 1.00 0.00 H new ATOM 0 HG1 THR A 24 0.098 14.525 6.825 1.00 0.00 H new ATOM 0 HG21 THR A 24 1.836 14.248 8.674 1.00 0.00 H new ATOM 0 HG22 THR A 24 2.983 15.564 8.329 1.00 0.00 H new ATOM 0 HG23 THR A 24 1.231 15.858 8.217 1.00 0.00 H new ATOM 404 N LYS A 25 4.508 16.503 6.460 1.00 0.00 N ATOM 405 CA LYS A 25 5.950 16.708 6.375 1.00 0.00 C ATOM 406 C LYS A 25 6.711 15.582 7.071 1.00 0.00 C ATOM 407 O LYS A 25 7.926 15.455 6.911 1.00 0.00 O ATOM 408 CB LYS A 25 6.331 18.055 6.993 1.00 0.00 C ATOM 409 CG LYS A 25 5.418 19.196 6.576 1.00 0.00 C ATOM 410 CD LYS A 25 5.968 20.542 7.021 1.00 0.00 C ATOM 411 CE LYS A 25 6.685 21.255 5.886 1.00 0.00 C ATOM 412 NZ LYS A 25 8.128 20.892 5.823 1.00 0.00 N ATOM 0 H LYS A 25 4.103 16.726 7.369 1.00 0.00 H new ATOM 0 HA LYS A 25 6.227 16.705 5.321 1.00 0.00 H new ATOM 0 HB2 LYS A 25 6.313 17.965 8.079 1.00 0.00 H new ATOM 0 HB3 LYS A 25 7.355 18.298 6.710 1.00 0.00 H new ATOM 0 HG2 LYS A 25 5.299 19.191 5.493 1.00 0.00 H new ATOM 0 HG3 LYS A 25 4.428 19.046 7.006 1.00 0.00 H new ATOM 0 HD2 LYS A 25 5.153 21.166 7.386 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.657 20.397 7.854 1.00 0.00 H new ATOM 0 HE2 LYS A 25 6.206 21.003 4.940 1.00 0.00 H new ATOM 0 HE3 LYS A 25 6.588 22.333 6.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 8.612 21.509 5.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 8.558 21.012 6.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 8.224 19.901 5.523 1.00 0.00 H new ATOM 426 N ASP A 26 5.996 14.769 7.841 1.00 0.00 N ATOM 427 CA ASP A 26 6.612 13.659 8.556 1.00 0.00 C ATOM 428 C ASP A 26 6.190 12.323 7.957 1.00 0.00 C ATOM 429 O ASP A 26 5.917 11.363 8.678 1.00 0.00 O ATOM 430 CB ASP A 26 6.232 13.714 10.036 1.00 0.00 C ATOM 431 CG ASP A 26 7.245 13.015 10.921 1.00 0.00 C ATOM 432 OD1 ASP A 26 7.252 11.767 10.943 1.00 0.00 O ATOM 433 OD2 ASP A 26 8.031 13.716 11.592 1.00 0.00 O ATOM 0 H ASP A 26 4.990 14.858 7.985 1.00 0.00 H new ATOM 0 HA ASP A 26 7.694 13.749 8.460 1.00 0.00 H new ATOM 0 HB2 ASP A 26 6.140 14.755 10.346 1.00 0.00 H new ATOM 0 HB3 ASP A 26 5.254 13.253 10.174 1.00 0.00 H new ATOM 438 N THR A 27 6.141 12.267 6.629 1.00 0.00 N ATOM 439 CA THR A 27 5.751 11.047 5.929 1.00 0.00 C ATOM 440 C THR A 27 6.899 10.039 5.889 1.00 0.00 C ATOM 441 O THR A 27 6.729 8.914 5.417 1.00 0.00 O ATOM 442 CB THR A 27 5.300 11.376 4.506 1.00 0.00 C ATOM 443 OG1 THR A 27 6.414 11.680 3.683 1.00 0.00 O ATOM 444 CG2 THR A 27 4.344 12.548 4.437 1.00 0.00 C ATOM 0 H THR A 27 6.366 13.051 6.017 1.00 0.00 H new ATOM 0 HA THR A 27 4.922 10.598 6.476 1.00 0.00 H new ATOM 0 HB THR A 27 4.782 10.484 4.154 1.00 0.00 H new ATOM 0 HG1 THR A 27 6.104 11.886 2.776 1.00 0.00 H new ATOM 0 HG21 THR A 27 4.063 12.728 3.399 1.00 0.00 H new ATOM 0 HG22 THR A 27 3.451 12.324 5.021 1.00 0.00 H new ATOM 0 HG23 THR A 27 4.828 13.437 4.841 1.00 0.00 H new ATOM 452 N SER A 28 8.070 10.441 6.385 1.00 0.00 N ATOM 453 CA SER A 28 9.237 9.565 6.402 1.00 0.00 C ATOM 454 C SER A 28 8.892 8.204 7.002 1.00 0.00 C ATOM 455 O SER A 28 9.389 7.171 6.554 1.00 0.00 O ATOM 456 CB SER A 28 10.374 10.210 7.195 1.00 0.00 C ATOM 457 OG SER A 28 10.638 11.522 6.732 1.00 0.00 O ATOM 0 H SER A 28 8.233 11.367 6.780 1.00 0.00 H new ATOM 0 HA SER A 28 9.560 9.415 5.372 1.00 0.00 H new ATOM 0 HB2 SER A 28 10.112 10.240 8.253 1.00 0.00 H new ATOM 0 HB3 SER A 28 11.274 9.602 7.106 1.00 0.00 H new ATOM 0 HG SER A 28 11.368 11.913 7.256 1.00 0.00 H new ATOM 463 N THR A 29 8.033 8.213 8.017 1.00 0.00 N ATOM 464 CA THR A 29 7.616 6.982 8.675 1.00 0.00 C ATOM 465 C THR A 29 6.712 6.158 7.766 1.00 0.00 C ATOM 466 O THR A 29 6.660 4.933 7.867 1.00 0.00 O ATOM 467 CB THR A 29 6.892 7.298 9.985 1.00 0.00 C ATOM 468 OG1 THR A 29 6.560 6.107 10.675 1.00 0.00 O ATOM 469 CG2 THR A 29 5.614 8.086 9.786 1.00 0.00 C ATOM 0 H THR A 29 7.613 9.060 8.401 1.00 0.00 H new ATOM 0 HA THR A 29 8.509 6.397 8.895 1.00 0.00 H new ATOM 0 HB THR A 29 7.589 7.906 10.562 1.00 0.00 H new ATOM 0 HG1 THR A 29 6.099 6.331 11.511 1.00 0.00 H new ATOM 0 HG21 THR A 29 5.150 8.277 10.754 1.00 0.00 H new ATOM 0 HG22 THR A 29 5.843 9.034 9.300 1.00 0.00 H new ATOM 0 HG23 THR A 29 4.928 7.515 9.161 1.00 0.00 H new ATOM 477 N LEU A 30 5.997 6.841 6.875 1.00 0.00 N ATOM 478 CA LEU A 30 5.093 6.173 5.946 1.00 0.00 C ATOM 479 C LEU A 30 5.868 5.545 4.792 1.00 0.00 C ATOM 480 O LEU A 30 5.516 4.470 4.308 1.00 0.00 O ATOM 481 CB LEU A 30 4.060 7.167 5.407 1.00 0.00 C ATOM 482 CG LEU A 30 2.604 6.715 5.528 1.00 0.00 C ATOM 483 CD1 LEU A 30 1.688 7.913 5.726 1.00 0.00 C ATOM 484 CD2 LEU A 30 2.189 5.921 4.299 1.00 0.00 C ATOM 0 H LEU A 30 6.027 7.856 6.778 1.00 0.00 H new ATOM 0 HA LEU A 30 4.575 5.379 6.484 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.177 8.112 5.937 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.278 7.361 4.357 1.00 0.00 H new ATOM 0 HG LEU A 30 2.515 6.068 6.401 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.656 7.572 5.810 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.971 8.441 6.637 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.779 8.586 4.873 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.150 5.607 4.402 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.293 6.544 3.411 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.826 5.042 4.202 1.00 0.00 H new ATOM 496 N LYS A 31 6.924 6.225 4.356 1.00 0.00 N ATOM 497 CA LYS A 31 7.750 5.734 3.259 1.00 0.00 C ATOM 498 C LYS A 31 8.416 4.412 3.627 1.00 0.00 C ATOM 499 O LYS A 31 8.653 3.566 2.766 1.00 0.00 O ATOM 500 CB LYS A 31 8.816 6.769 2.892 1.00 0.00 C ATOM 501 CG LYS A 31 8.240 8.071 2.360 1.00 0.00 C ATOM 502 CD LYS A 31 9.281 8.865 1.589 1.00 0.00 C ATOM 503 CE LYS A 31 10.265 9.551 2.524 1.00 0.00 C ATOM 504 NZ LYS A 31 9.928 10.986 2.732 1.00 0.00 N ATOM 0 H LYS A 31 7.228 7.117 4.746 1.00 0.00 H new ATOM 0 HA LYS A 31 7.103 5.567 2.398 1.00 0.00 H new ATOM 0 HB2 LYS A 31 9.422 6.982 3.772 1.00 0.00 H new ATOM 0 HB3 LYS A 31 9.482 6.342 2.142 1.00 0.00 H new ATOM 0 HG2 LYS A 31 7.390 7.856 1.712 1.00 0.00 H new ATOM 0 HG3 LYS A 31 7.865 8.670 3.190 1.00 0.00 H new ATOM 0 HD2 LYS A 31 9.821 8.200 0.915 1.00 0.00 H new ATOM 0 HD3 LYS A 31 8.785 9.612 0.970 1.00 0.00 H new ATOM 0 HE2 LYS A 31 10.271 9.037 3.485 1.00 0.00 H new ATOM 0 HE3 LYS A 31 11.272 9.471 2.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 10.623 11.416 3.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 9.947 11.483 1.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 8.978 11.063 3.148 1.00 0.00 H new ATOM 518 N GLU A 32 8.715 4.242 4.912 1.00 0.00 N ATOM 519 CA GLU A 32 9.354 3.023 5.393 1.00 0.00 C ATOM 520 C GLU A 32 8.324 1.921 5.625 1.00 0.00 C ATOM 521 O GLU A 32 8.634 0.735 5.509 1.00 0.00 O ATOM 522 CB GLU A 32 10.121 3.300 6.686 1.00 0.00 C ATOM 523 CG GLU A 32 9.248 3.838 7.808 1.00 0.00 C ATOM 524 CD GLU A 32 9.999 3.972 9.118 1.00 0.00 C ATOM 525 OE1 GLU A 32 10.358 2.930 9.706 1.00 0.00 O ATOM 526 OE2 GLU A 32 10.230 5.119 9.557 1.00 0.00 O ATOM 0 H GLU A 32 8.525 4.933 5.638 1.00 0.00 H new ATOM 0 HA GLU A 32 10.054 2.685 4.629 1.00 0.00 H new ATOM 0 HB2 GLU A 32 10.600 2.379 7.019 1.00 0.00 H new ATOM 0 HB3 GLU A 32 10.916 4.016 6.480 1.00 0.00 H new ATOM 0 HG2 GLU A 32 8.851 4.811 7.520 1.00 0.00 H new ATOM 0 HG3 GLU A 32 8.394 3.175 7.949 1.00 0.00 H new ATOM 533 N LEU A 33 7.101 2.320 5.950 1.00 0.00 N ATOM 534 CA LEU A 33 6.027 1.366 6.199 1.00 0.00 C ATOM 535 C LEU A 33 5.552 0.732 4.895 1.00 0.00 C ATOM 536 O LEU A 33 5.218 -0.453 4.855 1.00 0.00 O ATOM 537 CB LEU A 33 4.856 2.056 6.905 1.00 0.00 C ATOM 538 CG LEU A 33 4.718 1.735 8.394 1.00 0.00 C ATOM 539 CD1 LEU A 33 4.329 0.277 8.591 1.00 0.00 C ATOM 540 CD2 LEU A 33 6.014 2.047 9.127 1.00 0.00 C ATOM 0 H LEU A 33 6.828 3.298 6.047 1.00 0.00 H new ATOM 0 HA LEU A 33 6.415 0.578 6.844 1.00 0.00 H new ATOM 0 HB2 LEU A 33 4.967 3.134 6.790 1.00 0.00 H new ATOM 0 HB3 LEU A 33 3.931 1.775 6.401 1.00 0.00 H new ATOM 0 HG LEU A 33 3.928 2.360 8.811 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.235 0.066 9.656 1.00 0.00 H new ATOM 0 HD12 LEU A 33 3.376 0.085 8.098 1.00 0.00 H new ATOM 0 HD13 LEU A 33 5.097 -0.366 8.160 1.00 0.00 H new ATOM 0 HD21 LEU A 33 5.899 1.813 10.185 1.00 0.00 H new ATOM 0 HD22 LEU A 33 6.822 1.447 8.709 1.00 0.00 H new ATOM 0 HD23 LEU A 33 6.251 3.105 9.013 1.00 0.00 H new ATOM 552 N LEU A 34 5.525 1.527 3.831 1.00 0.00 N ATOM 553 CA LEU A 34 5.092 1.044 2.525 1.00 0.00 C ATOM 554 C LEU A 34 6.192 0.225 1.855 1.00 0.00 C ATOM 555 O LEU A 34 5.913 -0.696 1.087 1.00 0.00 O ATOM 556 CB LEU A 34 4.699 2.221 1.630 1.00 0.00 C ATOM 557 CG LEU A 34 3.752 3.235 2.276 1.00 0.00 C ATOM 558 CD1 LEU A 34 4.032 4.635 1.753 1.00 0.00 C ATOM 559 CD2 LEU A 34 2.303 2.850 2.020 1.00 0.00 C ATOM 0 H LEU A 34 5.798 2.510 3.847 1.00 0.00 H new ATOM 0 HA LEU A 34 4.224 0.401 2.671 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.606 2.740 1.318 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.229 1.831 0.727 1.00 0.00 H new ATOM 0 HG LEU A 34 3.925 3.229 3.352 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.349 5.342 2.223 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.060 4.912 1.987 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.888 4.655 0.673 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.644 3.582 2.487 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.117 2.827 0.946 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.108 1.865 2.443 1.00 0.00 H new ATOM 571 N GLU A 35 7.441 0.567 2.153 1.00 0.00 N ATOM 572 CA GLU A 35 8.585 -0.135 1.580 1.00 0.00 C ATOM 573 C GLU A 35 8.847 -1.458 2.303 1.00 0.00 C ATOM 574 O GLU A 35 9.718 -2.229 1.901 1.00 0.00 O ATOM 575 CB GLU A 35 9.833 0.747 1.644 1.00 0.00 C ATOM 576 CG GLU A 35 9.941 1.731 0.490 1.00 0.00 C ATOM 577 CD GLU A 35 10.992 1.325 -0.526 1.00 0.00 C ATOM 578 OE1 GLU A 35 11.988 0.687 -0.127 1.00 0.00 O ATOM 579 OE2 GLU A 35 10.816 1.647 -1.720 1.00 0.00 O ATOM 0 H GLU A 35 7.687 1.326 2.788 1.00 0.00 H new ATOM 0 HA GLU A 35 8.352 -0.357 0.539 1.00 0.00 H new ATOM 0 HB2 GLU A 35 9.829 1.300 2.583 1.00 0.00 H new ATOM 0 HB3 GLU A 35 10.718 0.111 1.652 1.00 0.00 H new ATOM 0 HG2 GLU A 35 8.974 1.812 -0.006 1.00 0.00 H new ATOM 0 HG3 GLU A 35 10.182 2.719 0.881 1.00 0.00 H new ATOM 586 N THR A 36 8.092 -1.715 3.370 1.00 0.00 N ATOM 587 CA THR A 36 8.252 -2.945 4.142 1.00 0.00 C ATOM 588 C THR A 36 8.172 -4.176 3.243 1.00 0.00 C ATOM 589 O THR A 36 9.007 -5.077 3.331 1.00 0.00 O ATOM 590 CB THR A 36 7.186 -3.029 5.234 1.00 0.00 C ATOM 591 OG1 THR A 36 5.887 -2.962 4.673 1.00 0.00 O ATOM 592 CG2 THR A 36 7.297 -1.926 6.264 1.00 0.00 C ATOM 0 H THR A 36 7.366 -1.089 3.718 1.00 0.00 H new ATOM 0 HA THR A 36 9.239 -2.923 4.605 1.00 0.00 H new ATOM 0 HB THR A 36 7.354 -3.986 5.729 1.00 0.00 H new ATOM 0 HG1 THR A 36 5.715 -2.051 4.355 1.00 0.00 H new ATOM 0 HG21 THR A 36 6.511 -2.044 7.010 1.00 0.00 H new ATOM 0 HG22 THR A 36 8.271 -1.980 6.751 1.00 0.00 H new ATOM 0 HG23 THR A 36 7.189 -0.958 5.774 1.00 0.00 H new ATOM 600 N TYR A 37 7.164 -4.208 2.378 1.00 0.00 N ATOM 601 CA TYR A 37 6.977 -5.330 1.462 1.00 0.00 C ATOM 602 C TYR A 37 6.725 -6.624 2.232 1.00 0.00 C ATOM 603 O TYR A 37 7.134 -7.701 1.801 1.00 0.00 O ATOM 604 CB TYR A 37 8.202 -5.486 0.558 1.00 0.00 C ATOM 605 CG TYR A 37 7.877 -5.456 -0.919 1.00 0.00 C ATOM 606 CD1 TYR A 37 6.985 -4.524 -1.435 1.00 0.00 C ATOM 607 CD2 TYR A 37 8.463 -6.359 -1.798 1.00 0.00 C ATOM 608 CE1 TYR A 37 6.687 -4.493 -2.784 1.00 0.00 C ATOM 609 CE2 TYR A 37 8.171 -6.333 -3.147 1.00 0.00 C ATOM 610 CZ TYR A 37 7.282 -5.399 -3.636 1.00 0.00 C ATOM 611 OH TYR A 37 6.989 -5.370 -4.979 1.00 0.00 O ATOM 0 H TYR A 37 6.464 -3.471 2.291 1.00 0.00 H new ATOM 0 HA TYR A 37 6.104 -5.123 0.843 1.00 0.00 H new ATOM 0 HB2 TYR A 37 8.911 -4.689 0.781 1.00 0.00 H new ATOM 0 HB3 TYR A 37 8.698 -6.428 0.793 1.00 0.00 H new ATOM 0 HD1 TYR A 37 6.517 -3.812 -0.771 1.00 0.00 H new ATOM 0 HD2 TYR A 37 9.158 -7.093 -1.419 1.00 0.00 H new ATOM 0 HE1 TYR A 37 5.991 -3.762 -3.169 1.00 0.00 H new ATOM 0 HE2 TYR A 37 8.637 -7.041 -3.816 1.00 0.00 H new ATOM 0 HH TYR A 37 7.493 -6.073 -5.439 1.00 0.00 H new ATOM 621 N GLN A 38 6.050 -6.508 3.371 1.00 0.00 N ATOM 622 CA GLN A 38 5.744 -7.669 4.199 1.00 0.00 C ATOM 623 C GLN A 38 4.857 -8.656 3.449 1.00 0.00 C ATOM 624 O GLN A 38 5.109 -9.862 3.454 1.00 0.00 O ATOM 625 CB GLN A 38 5.058 -7.231 5.495 1.00 0.00 C ATOM 626 CG GLN A 38 6.022 -6.991 6.645 1.00 0.00 C ATOM 627 CD GLN A 38 5.312 -6.801 7.972 1.00 0.00 C ATOM 628 OE1 GLN A 38 4.561 -7.668 8.417 1.00 0.00 O ATOM 629 NE2 GLN A 38 5.547 -5.659 8.608 1.00 0.00 N ATOM 0 H GLN A 38 5.705 -5.623 3.741 1.00 0.00 H new ATOM 0 HA GLN A 38 6.683 -8.166 4.443 1.00 0.00 H new ATOM 0 HB2 GLN A 38 4.496 -6.316 5.307 1.00 0.00 H new ATOM 0 HB3 GLN A 38 4.337 -7.994 5.790 1.00 0.00 H new ATOM 0 HG2 GLN A 38 6.708 -7.835 6.722 1.00 0.00 H new ATOM 0 HG3 GLN A 38 6.625 -6.109 6.430 1.00 0.00 H new ATOM 0 HE21 GLN A 38 6.178 -4.969 8.200 1.00 0.00 H new ATOM 0 HE22 GLN A 38 5.097 -5.472 9.504 1.00 0.00 H new ATOM 638 N ARG A 39 3.820 -8.136 2.801 1.00 0.00 N ATOM 639 CA ARG A 39 2.894 -8.971 2.042 1.00 0.00 C ATOM 640 C ARG A 39 3.074 -8.743 0.542 1.00 0.00 C ATOM 641 O ARG A 39 3.743 -7.797 0.127 1.00 0.00 O ATOM 642 CB ARG A 39 1.438 -8.691 2.446 1.00 0.00 C ATOM 643 CG ARG A 39 1.262 -7.503 3.380 1.00 0.00 C ATOM 644 CD ARG A 39 -0.203 -7.107 3.504 1.00 0.00 C ATOM 645 NE ARG A 39 -0.813 -7.636 4.722 1.00 0.00 N ATOM 646 CZ ARG A 39 -0.693 -7.067 5.920 1.00 0.00 C ATOM 647 NH1 ARG A 39 0.022 -5.959 6.068 1.00 0.00 N ATOM 648 NH2 ARG A 39 -1.289 -7.608 6.974 1.00 0.00 N ATOM 0 H ARG A 39 3.599 -7.140 2.786 1.00 0.00 H new ATOM 0 HA ARG A 39 3.119 -10.013 2.271 1.00 0.00 H new ATOM 0 HB2 ARG A 39 0.850 -8.519 1.544 1.00 0.00 H new ATOM 0 HB3 ARG A 39 1.030 -9.580 2.928 1.00 0.00 H new ATOM 0 HG2 ARG A 39 1.658 -7.750 4.365 1.00 0.00 H new ATOM 0 HG3 ARG A 39 1.839 -6.657 3.008 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -0.286 -6.020 3.500 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -0.752 -7.472 2.636 1.00 0.00 H new ATOM 0 HE ARG A 39 -1.363 -8.492 4.650 1.00 0.00 H new ATOM 0 HH11 ARG A 39 0.483 -5.538 5.262 1.00 0.00 H new ATOM 0 HH12 ARG A 39 0.110 -5.528 6.988 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -1.839 -8.460 6.867 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -1.197 -7.172 7.892 1.00 0.00 H new ATOM 662 N PRO A 40 2.480 -9.613 -0.295 1.00 0.00 N ATOM 663 CA PRO A 40 2.582 -9.500 -1.754 1.00 0.00 C ATOM 664 C PRO A 40 1.855 -8.272 -2.294 1.00 0.00 C ATOM 665 O PRO A 40 0.889 -8.391 -3.049 1.00 0.00 O ATOM 666 CB PRO A 40 1.920 -10.784 -2.262 1.00 0.00 C ATOM 667 CG PRO A 40 1.002 -11.198 -1.165 1.00 0.00 C ATOM 668 CD PRO A 40 1.665 -10.773 0.115 1.00 0.00 C ATOM 0 HA PRO A 40 3.615 -9.383 -2.080 1.00 0.00 H new ATOM 0 HB2 PRO A 40 1.374 -10.608 -3.189 1.00 0.00 H new ATOM 0 HB3 PRO A 40 2.661 -11.556 -2.470 1.00 0.00 H new ATOM 0 HG2 PRO A 40 0.026 -10.725 -1.274 1.00 0.00 H new ATOM 0 HG3 PRO A 40 0.838 -12.275 -1.180 1.00 0.00 H new ATOM 0 HD2 PRO A 40 0.934 -10.502 0.876 1.00 0.00 H new ATOM 0 HD3 PRO A 40 2.280 -11.570 0.533 1.00 0.00 H new ATOM 676 N PHE A 41 2.329 -7.093 -1.906 1.00 0.00 N ATOM 677 CA PHE A 41 1.728 -5.842 -2.354 1.00 0.00 C ATOM 678 C PHE A 41 2.793 -4.896 -2.904 1.00 0.00 C ATOM 679 O PHE A 41 3.934 -4.893 -2.440 1.00 0.00 O ATOM 680 CB PHE A 41 0.970 -5.173 -1.201 1.00 0.00 C ATOM 681 CG PHE A 41 1.864 -4.537 -0.171 1.00 0.00 C ATOM 682 CD1 PHE A 41 2.295 -3.228 -0.323 1.00 0.00 C ATOM 683 CD2 PHE A 41 2.267 -5.247 0.947 1.00 0.00 C ATOM 684 CE1 PHE A 41 3.114 -2.641 0.622 1.00 0.00 C ATOM 685 CE2 PHE A 41 3.086 -4.664 1.897 1.00 0.00 C ATOM 686 CZ PHE A 41 3.509 -3.359 1.733 1.00 0.00 C ATOM 0 H PHE A 41 3.128 -6.977 -1.282 1.00 0.00 H new ATOM 0 HA PHE A 41 1.024 -6.069 -3.154 1.00 0.00 H new ATOM 0 HB2 PHE A 41 0.305 -4.412 -1.610 1.00 0.00 H new ATOM 0 HB3 PHE A 41 0.341 -5.917 -0.712 1.00 0.00 H new ATOM 0 HD1 PHE A 41 1.987 -2.661 -1.189 1.00 0.00 H new ATOM 0 HD2 PHE A 41 1.938 -6.267 1.079 1.00 0.00 H new ATOM 0 HE1 PHE A 41 3.445 -1.621 0.492 1.00 0.00 H new ATOM 0 HE2 PHE A 41 3.394 -5.228 2.765 1.00 0.00 H new ATOM 0 HZ PHE A 41 4.148 -2.901 2.473 1.00 0.00 H new ATOM 696 N LYS A 42 2.414 -4.095 -3.893 1.00 0.00 N ATOM 697 CA LYS A 42 3.337 -3.146 -4.503 1.00 0.00 C ATOM 698 C LYS A 42 2.769 -1.732 -4.455 1.00 0.00 C ATOM 699 O LYS A 42 1.593 -1.534 -4.158 1.00 0.00 O ATOM 700 CB LYS A 42 3.629 -3.542 -5.951 1.00 0.00 C ATOM 701 CG LYS A 42 4.068 -4.990 -6.110 1.00 0.00 C ATOM 702 CD LYS A 42 2.887 -5.943 -6.011 1.00 0.00 C ATOM 703 CE LYS A 42 3.066 -7.147 -6.922 1.00 0.00 C ATOM 704 NZ LYS A 42 2.630 -8.409 -6.265 1.00 0.00 N ATOM 0 H LYS A 42 1.474 -4.084 -4.289 1.00 0.00 H new ATOM 0 HA LYS A 42 4.267 -3.166 -3.936 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.735 -3.374 -6.552 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.407 -2.890 -6.347 1.00 0.00 H new ATOM 0 HG2 LYS A 42 4.561 -5.118 -7.074 1.00 0.00 H new ATOM 0 HG3 LYS A 42 4.801 -5.236 -5.342 1.00 0.00 H new ATOM 0 HD2 LYS A 42 2.774 -6.279 -4.980 1.00 0.00 H new ATOM 0 HD3 LYS A 42 1.970 -5.417 -6.277 1.00 0.00 H new ATOM 0 HE2 LYS A 42 2.494 -6.998 -7.838 1.00 0.00 H new ATOM 0 HE3 LYS A 42 4.114 -7.231 -7.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 2.768 -9.206 -6.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 3.193 -8.565 -5.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 1.624 -8.339 -6.012 1.00 0.00 H new ATOM 718 N LEU A 43 3.616 -0.750 -4.747 1.00 0.00 N ATOM 719 CA LEU A 43 3.196 0.646 -4.736 1.00 0.00 C ATOM 720 C LEU A 43 3.818 1.410 -5.900 1.00 0.00 C ATOM 721 O LEU A 43 5.018 1.308 -6.152 1.00 0.00 O ATOM 722 CB LEU A 43 3.586 1.308 -3.414 1.00 0.00 C ATOM 723 CG LEU A 43 2.569 1.140 -2.283 1.00 0.00 C ATOM 724 CD1 LEU A 43 2.890 -0.096 -1.457 1.00 0.00 C ATOM 725 CD2 LEU A 43 2.543 2.380 -1.401 1.00 0.00 C ATOM 0 H LEU A 43 4.595 -0.895 -4.994 1.00 0.00 H new ATOM 0 HA LEU A 43 2.112 0.673 -4.843 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.542 0.898 -3.087 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.740 2.373 -3.589 1.00 0.00 H new ATOM 0 HG LEU A 43 1.581 1.011 -2.724 1.00 0.00 H new ATOM 0 HD11 LEU A 43 2.157 -0.200 -0.657 1.00 0.00 H new ATOM 0 HD12 LEU A 43 2.858 -0.979 -2.096 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.886 0.003 -1.025 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.814 2.243 -0.602 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.531 2.539 -0.968 1.00 0.00 H new ATOM 0 HD23 LEU A 43 2.265 3.247 -2.000 1.00 0.00 H new ATOM 737 N GLU A 44 2.995 2.182 -6.603 1.00 0.00 N ATOM 738 CA GLU A 44 3.471 2.967 -7.735 1.00 0.00 C ATOM 739 C GLU A 44 3.749 4.406 -7.311 1.00 0.00 C ATOM 740 O GLU A 44 2.847 5.242 -7.281 1.00 0.00 O ATOM 741 CB GLU A 44 2.451 2.944 -8.875 1.00 0.00 C ATOM 742 CG GLU A 44 1.798 1.587 -9.086 1.00 0.00 C ATOM 743 CD GLU A 44 1.301 1.394 -10.505 1.00 0.00 C ATOM 744 OE1 GLU A 44 2.139 1.377 -11.431 1.00 0.00 O ATOM 745 OE2 GLU A 44 0.073 1.257 -10.690 1.00 0.00 O ATOM 0 H GLU A 44 1.998 2.280 -6.409 1.00 0.00 H new ATOM 0 HA GLU A 44 4.400 2.521 -8.089 1.00 0.00 H new ATOM 0 HB2 GLU A 44 1.675 3.682 -8.671 1.00 0.00 H new ATOM 0 HB3 GLU A 44 2.945 3.247 -9.798 1.00 0.00 H new ATOM 0 HG2 GLU A 44 2.515 0.802 -8.846 1.00 0.00 H new ATOM 0 HG3 GLU A 44 0.963 1.478 -8.394 1.00 0.00 H new ATOM 752 N PHE A 45 5.006 4.683 -6.981 1.00 0.00 N ATOM 753 CA PHE A 45 5.412 6.017 -6.553 1.00 0.00 C ATOM 754 C PHE A 45 5.131 7.048 -7.639 1.00 0.00 C ATOM 755 O PHE A 45 5.676 6.969 -8.740 1.00 0.00 O ATOM 756 CB PHE A 45 6.903 6.027 -6.199 1.00 0.00 C ATOM 757 CG PHE A 45 7.237 5.349 -4.896 1.00 0.00 C ATOM 758 CD1 PHE A 45 6.336 4.490 -4.281 1.00 0.00 C ATOM 759 CD2 PHE A 45 8.464 5.569 -4.288 1.00 0.00 C ATOM 760 CE1 PHE A 45 6.652 3.869 -3.087 1.00 0.00 C ATOM 761 CE2 PHE A 45 8.784 4.950 -3.095 1.00 0.00 C ATOM 762 CZ PHE A 45 7.877 4.099 -2.493 1.00 0.00 C ATOM 0 H PHE A 45 5.763 4.000 -7.002 1.00 0.00 H new ATOM 0 HA PHE A 45 4.831 6.281 -5.670 1.00 0.00 H new ATOM 0 HB2 PHE A 45 7.458 5.540 -7.001 1.00 0.00 H new ATOM 0 HB3 PHE A 45 7.247 7.060 -6.156 1.00 0.00 H new ATOM 0 HD1 PHE A 45 5.377 4.305 -4.741 1.00 0.00 H new ATOM 0 HD2 PHE A 45 9.178 6.232 -4.753 1.00 0.00 H new ATOM 0 HE1 PHE A 45 5.941 3.204 -2.619 1.00 0.00 H new ATOM 0 HE2 PHE A 45 9.743 5.131 -2.633 1.00 0.00 H new ATOM 0 HZ PHE A 45 8.126 3.615 -1.560 1.00 0.00 H new ATOM 772 N LYS A 46 4.277 8.015 -7.321 1.00 0.00 N ATOM 773 CA LYS A 46 3.923 9.066 -8.268 1.00 0.00 C ATOM 774 C LYS A 46 5.004 10.143 -8.309 1.00 0.00 C ATOM 775 O LYS A 46 5.252 10.748 -9.352 1.00 0.00 O ATOM 776 CB LYS A 46 2.579 9.688 -7.892 1.00 0.00 C ATOM 777 CG LYS A 46 1.382 8.847 -8.304 1.00 0.00 C ATOM 778 CD LYS A 46 1.162 8.889 -9.808 1.00 0.00 C ATOM 779 CE LYS A 46 0.289 10.067 -10.211 1.00 0.00 C ATOM 780 NZ LYS A 46 -0.290 9.890 -11.571 1.00 0.00 N ATOM 0 H LYS A 46 3.817 8.093 -6.414 1.00 0.00 H new ATOM 0 HA LYS A 46 3.842 8.619 -9.259 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.549 9.843 -6.814 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.500 10.670 -8.358 1.00 0.00 H new ATOM 0 HG2 LYS A 46 1.534 7.816 -7.986 1.00 0.00 H new ATOM 0 HG3 LYS A 46 0.489 9.209 -7.794 1.00 0.00 H new ATOM 0 HD2 LYS A 46 2.124 8.957 -10.316 1.00 0.00 H new ATOM 0 HD3 LYS A 46 0.695 7.960 -10.134 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -0.516 10.186 -9.486 1.00 0.00 H new ATOM 0 HE3 LYS A 46 0.880 10.983 -10.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -0.878 10.714 -11.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 0.478 9.802 -12.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -0.875 9.030 -11.590 1.00 0.00 H new ATOM 901 N PHE A 54 1.925 17.692 -1.481 1.00 0.00 N ATOM 902 CA PHE A 54 1.133 16.472 -1.588 1.00 0.00 C ATOM 903 C PHE A 54 1.970 15.325 -2.129 1.00 0.00 C ATOM 904 O PHE A 54 2.488 15.391 -3.245 1.00 0.00 O ATOM 905 CB PHE A 54 -0.080 16.698 -2.490 1.00 0.00 C ATOM 906 CG PHE A 54 -0.832 17.963 -2.188 1.00 0.00 C ATOM 907 CD1 PHE A 54 -0.302 19.197 -2.530 1.00 0.00 C ATOM 908 CD2 PHE A 54 -2.067 17.918 -1.563 1.00 0.00 C ATOM 909 CE1 PHE A 54 -0.991 20.363 -2.253 1.00 0.00 C ATOM 910 CE2 PHE A 54 -2.762 19.079 -1.284 1.00 0.00 C ATOM 911 CZ PHE A 54 -2.223 20.304 -1.629 1.00 0.00 C ATOM 0 HA PHE A 54 0.789 16.209 -0.588 1.00 0.00 H new ATOM 0 HB2 PHE A 54 0.250 16.722 -3.528 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -0.758 15.850 -2.391 1.00 0.00 H new ATOM 0 HD1 PHE A 54 0.660 19.248 -3.018 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -2.492 16.963 -1.290 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -0.567 21.319 -2.524 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -3.725 19.029 -0.797 1.00 0.00 H new ATOM 0 HZ PHE A 54 -2.763 21.213 -1.411 1.00 0.00 H new ATOM 921 N TYR A 55 2.094 14.272 -1.334 1.00 0.00 N ATOM 922 CA TYR A 55 2.863 13.105 -1.737 1.00 0.00 C ATOM 923 C TYR A 55 1.942 12.030 -2.300 1.00 0.00 C ATOM 924 O TYR A 55 1.172 11.410 -1.567 1.00 0.00 O ATOM 925 CB TYR A 55 3.651 12.552 -0.548 1.00 0.00 C ATOM 926 CG TYR A 55 4.735 13.483 -0.055 1.00 0.00 C ATOM 927 CD1 TYR A 55 4.417 14.628 0.666 1.00 0.00 C ATOM 928 CD2 TYR A 55 6.075 13.219 -0.309 1.00 0.00 C ATOM 929 CE1 TYR A 55 5.405 15.482 1.119 1.00 0.00 C ATOM 930 CE2 TYR A 55 7.068 14.068 0.140 1.00 0.00 C ATOM 931 CZ TYR A 55 6.727 15.199 0.854 1.00 0.00 C ATOM 932 OH TYR A 55 7.713 16.047 1.302 1.00 0.00 O ATOM 0 H TYR A 55 1.673 14.202 -0.408 1.00 0.00 H new ATOM 0 HA TYR A 55 3.565 13.406 -2.515 1.00 0.00 H new ATOM 0 HB2 TYR A 55 2.961 12.346 0.270 1.00 0.00 H new ATOM 0 HB3 TYR A 55 4.102 11.601 -0.832 1.00 0.00 H new ATOM 0 HD1 TYR A 55 3.382 14.854 0.876 1.00 0.00 H new ATOM 0 HD2 TYR A 55 6.345 12.335 -0.867 1.00 0.00 H new ATOM 0 HE1 TYR A 55 5.142 16.368 1.678 1.00 0.00 H new ATOM 0 HE2 TYR A 55 8.105 13.848 -0.066 1.00 0.00 H new ATOM 0 HH TYR A 55 8.589 15.702 1.031 1.00 0.00 H new ATOM 942 N SER A 56 2.024 11.824 -3.608 1.00 0.00 N ATOM 943 CA SER A 56 1.192 10.830 -4.277 1.00 0.00 C ATOM 944 C SER A 56 1.869 9.463 -4.305 1.00 0.00 C ATOM 945 O SER A 56 3.039 9.343 -4.665 1.00 0.00 O ATOM 946 CB SER A 56 0.871 11.282 -5.702 1.00 0.00 C ATOM 947 OG SER A 56 -0.006 12.396 -5.699 1.00 0.00 O ATOM 0 H SER A 56 2.657 12.331 -4.227 1.00 0.00 H new ATOM 0 HA SER A 56 0.265 10.737 -3.710 1.00 0.00 H new ATOM 0 HB2 SER A 56 1.794 11.543 -6.220 1.00 0.00 H new ATOM 0 HB3 SER A 56 0.417 10.459 -6.254 1.00 0.00 H new ATOM 0 HG SER A 56 -0.194 12.667 -6.622 1.00 0.00 H new ATOM 953 N PHE A 57 1.115 8.433 -3.924 1.00 0.00 N ATOM 954 CA PHE A 57 1.630 7.068 -3.909 1.00 0.00 C ATOM 955 C PHE A 57 0.515 6.073 -4.222 1.00 0.00 C ATOM 956 O PHE A 57 -0.570 6.145 -3.648 1.00 0.00 O ATOM 957 CB PHE A 57 2.250 6.749 -2.548 1.00 0.00 C ATOM 958 CG PHE A 57 3.629 7.317 -2.370 1.00 0.00 C ATOM 959 CD1 PHE A 57 3.809 8.669 -2.120 1.00 0.00 C ATOM 960 CD2 PHE A 57 4.745 6.501 -2.455 1.00 0.00 C ATOM 961 CE1 PHE A 57 5.076 9.194 -1.958 1.00 0.00 C ATOM 962 CE2 PHE A 57 6.016 7.021 -2.293 1.00 0.00 C ATOM 963 CZ PHE A 57 6.181 8.370 -2.045 1.00 0.00 C ATOM 0 H PHE A 57 0.145 8.520 -3.622 1.00 0.00 H new ATOM 0 HA PHE A 57 2.400 6.982 -4.676 1.00 0.00 H new ATOM 0 HB2 PHE A 57 1.602 7.137 -1.762 1.00 0.00 H new ATOM 0 HB3 PHE A 57 2.292 5.667 -2.421 1.00 0.00 H new ATOM 0 HD1 PHE A 57 2.949 9.319 -2.051 1.00 0.00 H new ATOM 0 HD2 PHE A 57 4.621 5.446 -2.650 1.00 0.00 H new ATOM 0 HE1 PHE A 57 5.203 10.249 -1.763 1.00 0.00 H new ATOM 0 HE2 PHE A 57 6.878 6.374 -2.360 1.00 0.00 H new ATOM 0 HZ PHE A 57 7.172 8.780 -1.919 1.00 0.00 H new ATOM 973 N ASN A 58 0.787 5.150 -5.139 1.00 0.00 N ATOM 974 CA ASN A 58 -0.202 4.149 -5.526 1.00 0.00 C ATOM 975 C ASN A 58 0.017 2.839 -4.774 1.00 0.00 C ATOM 976 O ASN A 58 1.075 2.620 -4.185 1.00 0.00 O ATOM 977 CB ASN A 58 -0.143 3.901 -7.033 1.00 0.00 C ATOM 978 CG ASN A 58 -1.520 3.769 -7.652 1.00 0.00 C ATOM 979 OD1 ASN A 58 -2.342 2.970 -7.203 1.00 0.00 O ATOM 980 ND2 ASN A 58 -1.780 4.555 -8.692 1.00 0.00 N ATOM 0 H ASN A 58 1.680 5.074 -5.626 1.00 0.00 H new ATOM 0 HA ASN A 58 -1.188 4.533 -5.264 1.00 0.00 H new ATOM 0 HB2 ASN A 58 0.391 4.721 -7.513 1.00 0.00 H new ATOM 0 HB3 ASN A 58 0.428 2.993 -7.227 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -2.690 4.510 -9.150 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -1.069 5.203 -9.032 1.00 0.00 H new ATOM 987 N VAL A 59 -0.994 1.975 -4.799 1.00 0.00 N ATOM 988 CA VAL A 59 -0.916 0.686 -4.120 1.00 0.00 C ATOM 989 C VAL A 59 -1.523 -0.424 -4.971 1.00 0.00 C ATOM 990 O VAL A 59 -2.723 -0.421 -5.247 1.00 0.00 O ATOM 991 CB VAL A 59 -1.638 0.723 -2.760 1.00 0.00 C ATOM 992 CG1 VAL A 59 -1.270 -0.494 -1.927 1.00 0.00 C ATOM 993 CG2 VAL A 59 -1.313 2.007 -2.012 1.00 0.00 C ATOM 0 H VAL A 59 -1.876 2.144 -5.282 1.00 0.00 H new ATOM 0 HA VAL A 59 0.142 0.480 -3.958 1.00 0.00 H new ATOM 0 HB VAL A 59 -2.712 0.700 -2.942 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -1.790 -0.450 -0.970 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -1.562 -1.400 -2.458 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -0.194 -0.505 -1.755 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -1.834 2.012 -1.054 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -0.238 2.066 -1.841 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -1.634 2.864 -2.604 1.00 0.00 H new ATOM 1003 N SER A 60 -0.688 -1.371 -5.384 1.00 0.00 N ATOM 1004 CA SER A 60 -1.142 -2.490 -6.202 1.00 0.00 C ATOM 1005 C SER A 60 -1.121 -3.790 -5.404 1.00 0.00 C ATOM 1006 O SER A 60 -0.064 -4.388 -5.199 1.00 0.00 O ATOM 1007 CB SER A 60 -0.265 -2.628 -7.446 1.00 0.00 C ATOM 1008 OG SER A 60 0.107 -1.358 -7.953 1.00 0.00 O ATOM 0 H SER A 60 0.308 -1.386 -5.165 1.00 0.00 H new ATOM 0 HA SER A 60 -2.168 -2.290 -6.510 1.00 0.00 H new ATOM 0 HB2 SER A 60 0.629 -3.202 -7.202 1.00 0.00 H new ATOM 0 HB3 SER A 60 -0.802 -3.186 -8.213 1.00 0.00 H new ATOM 0 HG SER A 60 -0.668 -0.936 -8.379 1.00 0.00 H new ATOM 1014 N MET A 61 -2.296 -4.223 -4.960 1.00 0.00 N ATOM 1015 CA MET A 61 -2.415 -5.454 -4.184 1.00 0.00 C ATOM 1016 C MET A 61 -3.456 -6.382 -4.802 1.00 0.00 C ATOM 1017 O MET A 61 -4.445 -5.927 -5.378 1.00 0.00 O ATOM 1018 CB MET A 61 -2.792 -5.134 -2.736 1.00 0.00 C ATOM 1019 CG MET A 61 -3.012 -6.367 -1.873 1.00 0.00 C ATOM 1020 SD MET A 61 -1.548 -7.414 -1.767 1.00 0.00 S ATOM 1021 CE MET A 61 -2.287 -9.043 -1.851 1.00 0.00 C ATOM 0 H MET A 61 -3.180 -3.741 -5.124 1.00 0.00 H new ATOM 0 HA MET A 61 -1.450 -5.960 -4.195 1.00 0.00 H new ATOM 0 HB2 MET A 61 -2.004 -4.526 -2.291 1.00 0.00 H new ATOM 0 HB3 MET A 61 -3.700 -4.532 -2.731 1.00 0.00 H new ATOM 0 HG2 MET A 61 -3.304 -6.056 -0.870 1.00 0.00 H new ATOM 0 HG3 MET A 61 -3.840 -6.947 -2.280 1.00 0.00 H new ATOM 0 HE1 MET A 61 -2.015 -9.612 -0.962 1.00 0.00 H new ATOM 0 HE2 MET A 61 -3.372 -8.948 -1.903 1.00 0.00 H new ATOM 0 HE3 MET A 61 -1.925 -9.561 -2.739 1.00 0.00 H new ATOM 1031 N GLU A 62 -3.228 -7.685 -4.681 1.00 0.00 N ATOM 1032 CA GLU A 62 -4.147 -8.676 -5.227 1.00 0.00 C ATOM 1033 C GLU A 62 -5.454 -8.698 -4.443 1.00 0.00 C ATOM 1034 O GLU A 62 -5.537 -9.297 -3.370 1.00 0.00 O ATOM 1035 CB GLU A 62 -3.504 -10.063 -5.206 1.00 0.00 C ATOM 1036 CG GLU A 62 -3.887 -10.928 -6.396 1.00 0.00 C ATOM 1037 CD GLU A 62 -3.468 -12.375 -6.223 1.00 0.00 C ATOM 1038 OE1 GLU A 62 -3.803 -12.968 -5.176 1.00 0.00 O ATOM 1039 OE2 GLU A 62 -2.806 -12.915 -7.135 1.00 0.00 O ATOM 0 H GLU A 62 -2.414 -8.080 -4.209 1.00 0.00 H new ATOM 0 HA GLU A 62 -4.368 -8.400 -6.258 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -2.420 -9.952 -5.182 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -3.792 -10.574 -4.288 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -4.966 -10.881 -6.542 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -3.425 -10.525 -7.297 1.00 0.00 H new ATOM 1046 N VAL A 63 -6.475 -8.043 -4.986 1.00 0.00 N ATOM 1047 CA VAL A 63 -7.780 -7.988 -4.339 1.00 0.00 C ATOM 1048 C VAL A 63 -8.673 -9.125 -4.823 1.00 0.00 C ATOM 1049 O VAL A 63 -8.622 -9.513 -5.989 1.00 0.00 O ATOM 1050 CB VAL A 63 -8.484 -6.644 -4.607 1.00 0.00 C ATOM 1051 CG1 VAL A 63 -9.819 -6.577 -3.878 1.00 0.00 C ATOM 1052 CG2 VAL A 63 -7.589 -5.485 -4.197 1.00 0.00 C ATOM 0 H VAL A 63 -6.423 -7.543 -5.873 1.00 0.00 H new ATOM 0 HA VAL A 63 -7.611 -8.090 -3.267 1.00 0.00 H new ATOM 0 HB VAL A 63 -8.680 -6.567 -5.677 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -10.297 -5.619 -4.082 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -10.463 -7.385 -4.224 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -9.653 -6.678 -2.805 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -8.101 -4.543 -4.393 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -7.361 -5.560 -3.134 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -6.663 -5.520 -4.770 1.00 0.00 H new ATOM 1062 N SER A 64 -9.489 -9.655 -3.918 1.00 0.00 N ATOM 1063 CA SER A 64 -10.394 -10.751 -4.250 1.00 0.00 C ATOM 1064 C SER A 64 -11.852 -10.311 -4.143 1.00 0.00 C ATOM 1065 O SER A 64 -12.731 -10.882 -4.791 1.00 0.00 O ATOM 1066 CB SER A 64 -10.138 -11.946 -3.331 1.00 0.00 C ATOM 1067 OG SER A 64 -10.083 -13.155 -4.069 1.00 0.00 O ATOM 0 H SER A 64 -9.543 -9.344 -2.948 1.00 0.00 H new ATOM 0 HA SER A 64 -10.202 -11.047 -5.281 1.00 0.00 H new ATOM 0 HB2 SER A 64 -9.201 -11.801 -2.794 1.00 0.00 H new ATOM 0 HB3 SER A 64 -10.928 -12.009 -2.583 1.00 0.00 H new ATOM 0 HG SER A 64 -9.917 -13.904 -3.459 1.00 0.00 H new ATOM 1073 N ASN A 65 -12.108 -9.297 -3.319 1.00 0.00 N ATOM 1074 CA ASN A 65 -13.462 -8.790 -3.130 1.00 0.00 C ATOM 1075 C ASN A 65 -13.468 -7.577 -2.200 1.00 0.00 C ATOM 1076 O ASN A 65 -12.417 -7.126 -1.747 1.00 0.00 O ATOM 1077 CB ASN A 65 -14.367 -9.892 -2.563 1.00 0.00 C ATOM 1078 CG ASN A 65 -14.036 -10.240 -1.123 1.00 0.00 C ATOM 1079 OD1 ASN A 65 -14.865 -10.071 -0.227 1.00 0.00 O ATOM 1080 ND2 ASN A 65 -12.824 -10.730 -0.890 1.00 0.00 N ATOM 0 H ASN A 65 -11.396 -8.812 -2.773 1.00 0.00 H new ATOM 0 HA ASN A 65 -13.846 -8.478 -4.101 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -15.407 -9.570 -2.625 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -14.273 -10.786 -3.179 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -12.550 -10.982 0.060 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -12.167 -10.854 -1.661 1.00 0.00 H new ATOM 1087 N GLU A 66 -14.660 -7.057 -1.921 1.00 0.00 N ATOM 1088 CA GLU A 66 -14.807 -5.897 -1.046 1.00 0.00 C ATOM 1089 C GLU A 66 -14.135 -6.137 0.302 1.00 0.00 C ATOM 1090 O GLU A 66 -13.572 -5.218 0.898 1.00 0.00 O ATOM 1091 CB GLU A 66 -16.288 -5.573 -0.833 1.00 0.00 C ATOM 1092 CG GLU A 66 -17.102 -6.753 -0.328 1.00 0.00 C ATOM 1093 CD GLU A 66 -18.596 -6.513 -0.425 1.00 0.00 C ATOM 1094 OE1 GLU A 66 -19.110 -5.654 0.322 1.00 0.00 O ATOM 1095 OE2 GLU A 66 -19.253 -7.184 -1.250 1.00 0.00 O ATOM 0 H GLU A 66 -15.539 -7.421 -2.288 1.00 0.00 H new ATOM 0 HA GLU A 66 -14.320 -5.051 -1.531 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -16.373 -4.752 -0.121 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -16.714 -5.224 -1.774 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -16.842 -7.642 -0.903 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -16.837 -6.956 0.710 1.00 0.00 H new ATOM 1102 N SER A 67 -14.200 -7.376 0.780 1.00 0.00 N ATOM 1103 CA SER A 67 -13.599 -7.737 2.060 1.00 0.00 C ATOM 1104 C SER A 67 -12.150 -7.265 2.137 1.00 0.00 C ATOM 1105 O SER A 67 -11.760 -6.573 3.079 1.00 0.00 O ATOM 1106 CB SER A 67 -13.667 -9.250 2.273 1.00 0.00 C ATOM 1107 OG SER A 67 -12.848 -9.651 3.357 1.00 0.00 O ATOM 0 H SER A 67 -14.663 -8.148 0.300 1.00 0.00 H new ATOM 0 HA SER A 67 -14.165 -7.241 2.848 1.00 0.00 H new ATOM 0 HB2 SER A 67 -14.698 -9.547 2.463 1.00 0.00 H new ATOM 0 HB3 SER A 67 -13.350 -9.763 1.365 1.00 0.00 H new ATOM 0 HG SER A 67 -12.911 -10.622 3.473 1.00 0.00 H new ATOM 1113 N GLU A 68 -11.356 -7.634 1.136 1.00 0.00 N ATOM 1114 CA GLU A 68 -9.954 -7.237 1.098 1.00 0.00 C ATOM 1115 C GLU A 68 -9.838 -5.726 0.959 1.00 0.00 C ATOM 1116 O GLU A 68 -9.174 -5.070 1.759 1.00 0.00 O ATOM 1117 CB GLU A 68 -9.221 -7.924 -0.060 1.00 0.00 C ATOM 1118 CG GLU A 68 -9.709 -9.333 -0.351 1.00 0.00 C ATOM 1119 CD GLU A 68 -8.597 -10.252 -0.818 1.00 0.00 C ATOM 1120 OE1 GLU A 68 -7.956 -9.934 -1.843 1.00 0.00 O ATOM 1121 OE2 GLU A 68 -8.365 -11.287 -0.160 1.00 0.00 O ATOM 0 H GLU A 68 -11.658 -8.204 0.346 1.00 0.00 H new ATOM 0 HA GLU A 68 -9.489 -7.548 2.034 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -9.335 -7.318 -0.959 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -8.156 -7.959 0.168 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -10.165 -9.748 0.548 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -10.487 -9.294 -1.114 1.00 0.00 H new ATOM 1128 N ARG A 69 -10.497 -5.177 -0.062 1.00 0.00 N ATOM 1129 CA ARG A 69 -10.475 -3.737 -0.313 1.00 0.00 C ATOM 1130 C ARG A 69 -10.665 -2.947 0.979 1.00 0.00 C ATOM 1131 O ARG A 69 -10.030 -1.912 1.183 1.00 0.00 O ATOM 1132 CB ARG A 69 -11.565 -3.361 -1.319 1.00 0.00 C ATOM 1133 CG ARG A 69 -11.336 -2.016 -1.991 1.00 0.00 C ATOM 1134 CD ARG A 69 -12.641 -1.264 -2.195 1.00 0.00 C ATOM 1135 NE ARG A 69 -12.418 0.137 -2.538 1.00 0.00 N ATOM 1136 CZ ARG A 69 -13.341 0.921 -3.092 1.00 0.00 C ATOM 1137 NH1 ARG A 69 -14.549 0.443 -3.367 1.00 0.00 N ATOM 1138 NH2 ARG A 69 -13.056 2.185 -3.372 1.00 0.00 N ATOM 0 H ARG A 69 -11.054 -5.710 -0.730 1.00 0.00 H new ATOM 0 HA ARG A 69 -9.499 -3.483 -0.726 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -11.624 -4.135 -2.084 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -12.528 -3.344 -0.809 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -10.660 -1.415 -1.383 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -10.848 -2.168 -2.954 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -13.216 -1.744 -2.987 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -13.240 -1.324 -1.286 1.00 0.00 H new ATOM 0 HE ARG A 69 -11.501 0.539 -2.342 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -14.774 -0.529 -3.154 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -15.252 1.048 -3.791 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -12.130 2.557 -3.163 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -13.763 2.785 -3.796 1.00 0.00 H new ATOM 1152 N ASN A 70 -11.539 -3.442 1.848 1.00 0.00 N ATOM 1153 CA ASN A 70 -11.805 -2.785 3.121 1.00 0.00 C ATOM 1154 C ASN A 70 -10.586 -2.868 4.032 1.00 0.00 C ATOM 1155 O ASN A 70 -10.307 -1.945 4.799 1.00 0.00 O ATOM 1156 CB ASN A 70 -13.015 -3.420 3.806 1.00 0.00 C ATOM 1157 CG ASN A 70 -13.750 -2.444 4.705 1.00 0.00 C ATOM 1158 OD1 ASN A 70 -13.133 -1.696 5.464 1.00 0.00 O ATOM 1159 ND2 ASN A 70 -15.075 -2.446 4.623 1.00 0.00 N ATOM 0 H ASN A 70 -12.075 -4.296 1.694 1.00 0.00 H new ATOM 0 HA ASN A 70 -12.023 -1.735 2.925 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -13.701 -3.798 3.048 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -12.687 -4.276 4.395 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -15.623 -1.811 5.203 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -15.545 -3.083 3.980 1.00 0.00 H new ATOM 1166 N GLU A 71 -9.859 -3.976 3.935 1.00 0.00 N ATOM 1167 CA GLU A 71 -8.663 -4.180 4.744 1.00 0.00 C ATOM 1168 C GLU A 71 -7.467 -3.467 4.123 1.00 0.00 C ATOM 1169 O GLU A 71 -6.604 -2.949 4.831 1.00 0.00 O ATOM 1170 CB GLU A 71 -8.365 -5.674 4.883 1.00 0.00 C ATOM 1171 CG GLU A 71 -7.542 -6.017 6.114 1.00 0.00 C ATOM 1172 CD GLU A 71 -7.352 -7.511 6.290 1.00 0.00 C ATOM 1173 OE1 GLU A 71 -8.363 -8.245 6.266 1.00 0.00 O ATOM 1174 OE2 GLU A 71 -6.192 -7.948 6.453 1.00 0.00 O ATOM 0 H GLU A 71 -10.077 -4.747 3.304 1.00 0.00 H new ATOM 0 HA GLU A 71 -8.844 -3.761 5.734 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -9.306 -6.222 4.921 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -7.834 -6.014 3.994 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -6.566 -5.537 6.040 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -8.031 -5.610 6.999 1.00 0.00 H new ATOM 1181 N ILE A 72 -7.424 -3.441 2.793 1.00 0.00 N ATOM 1182 CA ILE A 72 -6.336 -2.788 2.077 1.00 0.00 C ATOM 1183 C ILE A 72 -6.401 -1.273 2.247 1.00 0.00 C ATOM 1184 O ILE A 72 -5.378 -0.590 2.211 1.00 0.00 O ATOM 1185 CB ILE A 72 -6.364 -3.124 0.572 1.00 0.00 C ATOM 1186 CG1 ILE A 72 -6.508 -4.636 0.363 1.00 0.00 C ATOM 1187 CG2 ILE A 72 -5.107 -2.599 -0.108 1.00 0.00 C ATOM 1188 CD1 ILE A 72 -6.096 -5.111 -1.016 1.00 0.00 C ATOM 0 H ILE A 72 -8.130 -3.865 2.192 1.00 0.00 H new ATOM 0 HA ILE A 72 -5.407 -3.164 2.506 1.00 0.00 H new ATOM 0 HB ILE A 72 -7.227 -2.636 0.120 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -5.906 -5.154 1.109 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -7.546 -4.919 0.538 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -5.139 -2.843 -1.170 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -5.052 -1.517 0.015 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -4.229 -3.061 0.344 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -6.227 -6.191 -1.083 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -6.715 -4.623 -1.769 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -5.049 -4.861 -1.189 1.00 0.00 H new ATOM 1200 N PHE A 73 -7.612 -0.752 2.429 1.00 0.00 N ATOM 1201 CA PHE A 73 -7.809 0.683 2.602 1.00 0.00 C ATOM 1202 C PHE A 73 -7.399 1.129 4.002 1.00 0.00 C ATOM 1203 O PHE A 73 -6.732 2.151 4.167 1.00 0.00 O ATOM 1204 CB PHE A 73 -9.271 1.050 2.346 1.00 0.00 C ATOM 1205 CG PHE A 73 -9.532 2.530 2.373 1.00 0.00 C ATOM 1206 CD1 PHE A 73 -9.838 3.171 3.564 1.00 0.00 C ATOM 1207 CD2 PHE A 73 -9.472 3.278 1.209 1.00 0.00 C ATOM 1208 CE1 PHE A 73 -10.078 4.531 3.592 1.00 0.00 C ATOM 1209 CE2 PHE A 73 -9.710 4.639 1.231 1.00 0.00 C ATOM 1210 CZ PHE A 73 -10.014 5.267 2.423 1.00 0.00 C ATOM 0 H PHE A 73 -8.470 -1.302 2.460 1.00 0.00 H new ATOM 0 HA PHE A 73 -7.177 1.199 1.879 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -9.572 0.654 1.376 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -9.896 0.565 3.096 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -9.889 2.601 4.480 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -9.237 2.792 0.274 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -10.315 5.019 4.526 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -9.658 5.211 0.317 1.00 0.00 H new ATOM 0 HZ PHE A 73 -10.201 6.330 2.442 1.00 0.00 H new ATOM 1220 N GLN A 74 -7.803 0.360 5.008 1.00 0.00 N ATOM 1221 CA GLN A 74 -7.476 0.681 6.393 1.00 0.00 C ATOM 1222 C GLN A 74 -5.982 0.523 6.655 1.00 0.00 C ATOM 1223 O GLN A 74 -5.421 1.190 7.523 1.00 0.00 O ATOM 1224 CB GLN A 74 -8.271 -0.213 7.346 1.00 0.00 C ATOM 1225 CG GLN A 74 -8.000 -1.696 7.157 1.00 0.00 C ATOM 1226 CD GLN A 74 -8.914 -2.566 7.997 1.00 0.00 C ATOM 1227 OE1 GLN A 74 -10.077 -2.229 8.224 1.00 0.00 O ATOM 1228 NE2 GLN A 74 -8.391 -3.695 8.464 1.00 0.00 N ATOM 0 H GLN A 74 -8.357 -0.489 4.891 1.00 0.00 H new ATOM 0 HA GLN A 74 -7.746 1.722 6.570 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -8.033 0.063 8.373 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -9.335 -0.026 7.204 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -8.125 -1.953 6.105 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -6.963 -1.908 7.416 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -7.423 -3.935 8.251 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -8.958 -4.322 9.035 1.00 0.00 H new ATOM 1237 N LYS A 75 -5.342 -0.366 5.903 1.00 0.00 N ATOM 1238 CA LYS A 75 -3.912 -0.611 6.058 1.00 0.00 C ATOM 1239 C LYS A 75 -3.094 0.537 5.475 1.00 0.00 C ATOM 1240 O LYS A 75 -2.209 1.078 6.136 1.00 0.00 O ATOM 1241 CB LYS A 75 -3.523 -1.927 5.382 1.00 0.00 C ATOM 1242 CG LYS A 75 -3.906 -3.161 6.183 1.00 0.00 C ATOM 1243 CD LYS A 75 -3.195 -3.199 7.527 1.00 0.00 C ATOM 1244 CE LYS A 75 -4.182 -3.338 8.678 1.00 0.00 C ATOM 1245 NZ LYS A 75 -3.587 -2.907 9.973 1.00 0.00 N ATOM 0 H LYS A 75 -5.790 -0.929 5.180 1.00 0.00 H new ATOM 0 HA LYS A 75 -3.695 -0.680 7.124 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -4.000 -1.977 4.403 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -2.446 -1.934 5.213 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -4.984 -3.173 6.341 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -3.657 -4.057 5.614 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -2.494 -4.033 7.545 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -2.610 -2.288 7.656 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -5.070 -2.741 8.469 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -4.507 -4.376 8.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -4.290 -3.017 10.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -2.755 -3.493 10.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -3.300 -1.909 9.908 1.00 0.00 H new ATOM 1259 N ILE A 76 -3.396 0.903 4.233 1.00 0.00 N ATOM 1260 CA ILE A 76 -2.686 1.985 3.563 1.00 0.00 C ATOM 1261 C ILE A 76 -2.962 3.324 4.240 1.00 0.00 C ATOM 1262 O ILE A 76 -2.130 4.231 4.207 1.00 0.00 O ATOM 1263 CB ILE A 76 -3.073 2.076 2.071 1.00 0.00 C ATOM 1264 CG1 ILE A 76 -2.230 3.140 1.364 1.00 0.00 C ATOM 1265 CG2 ILE A 76 -4.557 2.378 1.916 1.00 0.00 C ATOM 1266 CD1 ILE A 76 -0.816 2.691 1.073 1.00 0.00 C ATOM 0 H ILE A 76 -4.127 0.466 3.671 1.00 0.00 H new ATOM 0 HA ILE A 76 -1.622 1.760 3.636 1.00 0.00 H new ATOM 0 HB ILE A 76 -2.873 1.111 1.606 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -2.716 3.415 0.428 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -2.198 4.037 1.982 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -4.807 2.438 0.857 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -5.140 1.584 2.383 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -4.787 3.329 2.397 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -0.275 3.494 0.571 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -0.313 2.444 2.008 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -0.839 1.811 0.430 1.00 0.00 H new ATOM 1278 N SER A 77 -4.132 3.441 4.861 1.00 0.00 N ATOM 1279 CA SER A 77 -4.512 4.667 5.550 1.00 0.00 C ATOM 1280 C SER A 77 -4.280 4.542 7.053 1.00 0.00 C ATOM 1281 O SER A 77 -4.885 5.262 7.845 1.00 0.00 O ATOM 1282 CB SER A 77 -5.980 4.997 5.275 1.00 0.00 C ATOM 1283 OG SER A 77 -6.314 6.286 5.762 1.00 0.00 O ATOM 0 H SER A 77 -4.833 2.701 4.900 1.00 0.00 H new ATOM 0 HA SER A 77 -3.887 5.476 5.170 1.00 0.00 H new ATOM 0 HB2 SER A 77 -6.172 4.949 4.203 1.00 0.00 H new ATOM 0 HB3 SER A 77 -6.618 4.250 5.747 1.00 0.00 H new ATOM 0 HG SER A 77 -5.998 6.379 6.685 1.00 0.00 H new ATOM 1289 N GLN A 78 -3.399 3.621 7.439 1.00 0.00 N ATOM 1290 CA GLN A 78 -3.090 3.404 8.849 1.00 0.00 C ATOM 1291 C GLN A 78 -2.552 4.678 9.491 1.00 0.00 C ATOM 1292 O GLN A 78 -3.073 5.141 10.506 1.00 0.00 O ATOM 1293 CB GLN A 78 -2.073 2.269 8.999 1.00 0.00 C ATOM 1294 CG GLN A 78 -2.690 0.955 9.448 1.00 0.00 C ATOM 1295 CD GLN A 78 -3.124 0.983 10.901 1.00 0.00 C ATOM 1296 OE1 GLN A 78 -2.326 0.732 11.804 1.00 0.00 O ATOM 1297 NE2 GLN A 78 -4.396 1.288 11.133 1.00 0.00 N ATOM 0 H GLN A 78 -2.888 3.015 6.797 1.00 0.00 H new ATOM 0 HA GLN A 78 -4.012 3.126 9.360 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -1.568 2.116 8.045 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -1.311 2.568 9.719 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -3.551 0.728 8.819 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -1.969 0.151 9.303 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -5.023 1.489 10.354 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -4.746 1.321 12.090 1.00 0.00 H new ATOM 1306 N LEU A 79 -1.505 5.240 8.895 1.00 0.00 N ATOM 1307 CA LEU A 79 -0.895 6.460 9.409 1.00 0.00 C ATOM 1308 C LEU A 79 -1.887 7.620 9.379 1.00 0.00 C ATOM 1309 O LEU A 79 -3.014 7.474 8.907 1.00 0.00 O ATOM 1310 CB LEU A 79 0.350 6.816 8.593 1.00 0.00 C ATOM 1311 CG LEU A 79 1.649 6.176 9.082 1.00 0.00 C ATOM 1312 CD1 LEU A 79 1.948 6.601 10.511 1.00 0.00 C ATOM 1313 CD2 LEU A 79 1.567 4.660 8.979 1.00 0.00 C ATOM 0 H LEU A 79 -1.061 4.869 8.055 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.604 6.282 10.444 1.00 0.00 H new ATOM 0 HB2 LEU A 79 0.184 6.519 7.557 1.00 0.00 H new ATOM 0 HB3 LEU A 79 0.472 7.899 8.599 1.00 0.00 H new ATOM 0 HG LEU A 79 2.464 6.520 8.445 1.00 0.00 H new ATOM 0 HD11 LEU A 79 2.876 6.136 10.842 1.00 0.00 H new ATOM 0 HD12 LEU A 79 2.050 7.685 10.554 1.00 0.00 H new ATOM 0 HD13 LEU A 79 1.132 6.287 11.162 1.00 0.00 H new ATOM 0 HD21 LEU A 79 2.500 4.220 9.331 1.00 0.00 H new ATOM 0 HD22 LEU A 79 0.741 4.298 9.592 1.00 0.00 H new ATOM 0 HD23 LEU A 79 1.401 4.374 7.940 1.00 0.00 H new ATOM 1325 N ASP A 80 -1.456 8.771 9.885 1.00 0.00 N ATOM 1326 CA ASP A 80 -2.304 9.957 9.918 1.00 0.00 C ATOM 1327 C ASP A 80 -1.770 11.031 8.975 1.00 0.00 C ATOM 1328 O ASP A 80 -1.939 12.226 9.220 1.00 0.00 O ATOM 1329 CB ASP A 80 -2.395 10.505 11.345 1.00 0.00 C ATOM 1330 CG ASP A 80 -3.803 10.434 11.903 1.00 0.00 C ATOM 1331 OD1 ASP A 80 -4.211 9.340 12.345 1.00 0.00 O ATOM 1332 OD2 ASP A 80 -4.496 11.473 11.898 1.00 0.00 O ATOM 0 H ASP A 80 -0.525 8.908 10.278 1.00 0.00 H new ATOM 0 HA ASP A 80 -3.302 9.673 9.585 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -1.722 9.941 11.991 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -2.055 11.540 11.356 1.00 0.00 H new ATOM 1337 N LYS A 81 -1.125 10.600 7.897 1.00 0.00 N ATOM 1338 CA LYS A 81 -0.565 11.525 6.917 1.00 0.00 C ATOM 1339 C LYS A 81 -1.501 11.677 5.721 1.00 0.00 C ATOM 1340 O LYS A 81 -1.758 12.787 5.259 1.00 0.00 O ATOM 1341 CB LYS A 81 0.808 11.038 6.449 1.00 0.00 C ATOM 1342 CG LYS A 81 1.688 10.516 7.573 1.00 0.00 C ATOM 1343 CD LYS A 81 2.299 11.653 8.378 1.00 0.00 C ATOM 1344 CE LYS A 81 1.546 11.884 9.677 1.00 0.00 C ATOM 1345 NZ LYS A 81 1.763 10.777 10.650 1.00 0.00 N ATOM 0 H LYS A 81 -0.976 9.615 7.679 1.00 0.00 H new ATOM 0 HA LYS A 81 -0.451 12.498 7.394 1.00 0.00 H new ATOM 0 HB2 LYS A 81 0.671 10.248 5.710 1.00 0.00 H new ATOM 0 HB3 LYS A 81 1.323 11.858 5.948 1.00 0.00 H new ATOM 0 HG2 LYS A 81 1.098 9.879 8.232 1.00 0.00 H new ATOM 0 HG3 LYS A 81 2.482 9.896 7.157 1.00 0.00 H new ATOM 0 HD2 LYS A 81 3.342 11.425 8.597 1.00 0.00 H new ATOM 0 HD3 LYS A 81 2.290 12.567 7.784 1.00 0.00 H new ATOM 0 HE2 LYS A 81 1.869 12.826 10.121 1.00 0.00 H new ATOM 0 HE3 LYS A 81 0.481 11.979 9.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 0.865 10.551 11.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 2.111 9.936 10.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 2.465 11.071 11.359 1.00 0.00 H new ATOM 1359 N VAL A 82 -2.005 10.551 5.226 1.00 0.00 N ATOM 1360 CA VAL A 82 -2.912 10.550 4.083 1.00 0.00 C ATOM 1361 C VAL A 82 -4.070 11.520 4.292 1.00 0.00 C ATOM 1362 O VAL A 82 -4.777 11.451 5.298 1.00 0.00 O ATOM 1363 CB VAL A 82 -3.482 9.144 3.817 1.00 0.00 C ATOM 1364 CG1 VAL A 82 -2.371 8.175 3.445 1.00 0.00 C ATOM 1365 CG2 VAL A 82 -4.256 8.640 5.025 1.00 0.00 C ATOM 0 H VAL A 82 -1.800 9.624 5.600 1.00 0.00 H new ATOM 0 HA VAL A 82 -2.326 10.868 3.221 1.00 0.00 H new ATOM 0 HB VAL A 82 -4.171 9.209 2.975 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -2.795 7.188 3.261 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.868 8.527 2.544 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -1.652 8.114 4.262 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -4.650 7.645 4.816 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.593 8.593 5.889 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -5.081 9.320 5.238 1.00 0.00 H new ATOM 1375 N VAL A 83 -4.259 12.419 3.335 1.00 0.00 N ATOM 1376 CA VAL A 83 -5.331 13.404 3.412 1.00 0.00 C ATOM 1377 C VAL A 83 -6.267 13.294 2.209 1.00 0.00 C ATOM 1378 O VAL A 83 -7.475 13.491 2.332 1.00 0.00 O ATOM 1379 CB VAL A 83 -4.764 14.833 3.489 1.00 0.00 C ATOM 1380 CG1 VAL A 83 -5.884 15.862 3.559 1.00 0.00 C ATOM 1381 CG2 VAL A 83 -3.831 14.967 4.684 1.00 0.00 C ATOM 0 H VAL A 83 -3.684 12.487 2.495 1.00 0.00 H new ATOM 0 HA VAL A 83 -5.896 13.196 4.321 1.00 0.00 H new ATOM 0 HB VAL A 83 -4.193 15.024 2.580 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -5.456 16.863 3.613 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -6.508 15.782 2.669 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -6.491 15.679 4.446 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.437 15.983 4.726 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -4.381 14.753 5.601 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.006 14.262 4.582 1.00 0.00 H new ATOM 1391 N GLN A 84 -5.700 12.980 1.048 1.00 0.00 N ATOM 1392 CA GLN A 84 -6.485 12.845 -0.174 1.00 0.00 C ATOM 1393 C GLN A 84 -6.210 11.507 -0.852 1.00 0.00 C ATOM 1394 O GLN A 84 -5.083 11.229 -1.265 1.00 0.00 O ATOM 1395 CB GLN A 84 -6.172 13.993 -1.136 1.00 0.00 C ATOM 1396 CG GLN A 84 -7.272 14.252 -2.152 1.00 0.00 C ATOM 1397 CD GLN A 84 -8.394 15.104 -1.591 1.00 0.00 C ATOM 1398 OE1 GLN A 84 -9.329 14.591 -0.976 1.00 0.00 O ATOM 1399 NE2 GLN A 84 -8.309 16.412 -1.802 1.00 0.00 N ATOM 0 H GLN A 84 -4.701 12.814 0.928 1.00 0.00 H new ATOM 0 HA GLN A 84 -7.540 12.885 0.095 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -6.000 14.902 -0.560 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -5.245 13.770 -1.665 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -6.846 14.747 -3.025 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -7.679 13.300 -2.492 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -7.516 16.795 -2.317 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -9.036 17.034 -1.449 1.00 0.00 H new ATOM 1408 N THR A 85 -7.246 10.681 -0.966 1.00 0.00 N ATOM 1409 CA THR A 85 -7.116 9.373 -1.595 1.00 0.00 C ATOM 1410 C THR A 85 -8.167 9.184 -2.684 1.00 0.00 C ATOM 1411 O THR A 85 -9.072 10.005 -2.836 1.00 0.00 O ATOM 1412 CB THR A 85 -7.246 8.265 -0.550 1.00 0.00 C ATOM 1413 OG1 THR A 85 -7.087 6.990 -1.145 1.00 0.00 O ATOM 1414 CG2 THR A 85 -8.577 8.273 0.171 1.00 0.00 C ATOM 0 H THR A 85 -8.185 10.896 -0.630 1.00 0.00 H new ATOM 0 HA THR A 85 -6.129 9.317 -2.054 1.00 0.00 H new ATOM 0 HB THR A 85 -6.457 8.462 0.176 1.00 0.00 H new ATOM 0 HG1 THR A 85 -7.172 6.296 -0.459 1.00 0.00 H new ATOM 0 HG21 THR A 85 -8.602 7.461 0.898 1.00 0.00 H new ATOM 0 HG22 THR A 85 -8.706 9.225 0.686 1.00 0.00 H new ATOM 0 HG23 THR A 85 -9.383 8.138 -0.551 1.00 0.00 H new ATOM 1422 N LEU A 86 -8.043 8.096 -3.437 1.00 0.00 N ATOM 1423 CA LEU A 86 -8.982 7.797 -4.511 1.00 0.00 C ATOM 1424 C LEU A 86 -9.034 8.934 -5.527 1.00 0.00 C ATOM 1425 O LEU A 86 -10.058 9.051 -6.232 1.00 0.00 O ATOM 1426 CB LEU A 86 -10.378 7.545 -3.937 1.00 0.00 C ATOM 1427 CG LEU A 86 -11.186 6.462 -4.651 1.00 0.00 C ATOM 1428 CD1 LEU A 86 -12.111 5.754 -3.672 1.00 0.00 C ATOM 1429 CD2 LEU A 86 -11.984 7.062 -5.798 1.00 0.00 C ATOM 1430 OXT LEU A 86 -8.049 9.699 -5.609 1.00 0.00 O ATOM 0 H LEU A 86 -7.300 7.406 -3.323 1.00 0.00 H new ATOM 0 HA LEU A 86 -8.636 6.898 -5.021 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -10.278 7.269 -2.887 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -10.941 8.478 -3.969 1.00 0.00 H new ATOM 0 HG LEU A 86 -10.492 5.729 -5.061 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -12.678 4.986 -4.198 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -11.519 5.291 -2.882 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -12.799 6.477 -3.233 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -12.553 6.277 -6.295 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -12.669 7.816 -5.410 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -11.303 7.524 -6.513 1.00 0.00 H new