USER MOD reduce.3.24.130724 H: found=0, std=0, add=845, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 847 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 51 SER OG : rot 27:sc= 0.173 USER MOD Set 1.2: A 126 HIS : no HD1:sc= -0.0087 X(o=0.16,f=0.16) USER MOD Set 2.1: A 59 LYS NZ :NH3+ -135:sc= 0.028 (180deg=0) USER MOD Set 2.2: A 71 GLN : amide:sc= 0.672 K(o=0.7,f=0) USER MOD Set 3.1: A 44 THR OG1 : rot -160:sc= 0.794 USER MOD Set 3.2: A 63 LYS NZ :NH3+ 146:sc= 0.9 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 CYS SG : rot 180:sc= -0.104 USER MOD Single : A 14 LYS NZ :NH3+ -177:sc= 2.47 (180deg=2.41) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ -153:sc= 1.27 (180deg=0.629) USER MOD Single : A 40 GLN : amide:sc= -0.0116 X(o=-0.012,f=-0.012) USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.015 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc=-0.00369 X(o=-0.0037,f=-0.073) USER MOD Single : A 77 TYR OH : rot 30:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot -110:sc= 0.71 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 GLN : amide:sc= 0.985 K(o=0.98,f=-3.1!) USER MOD Single : A 103 SER OG : rot -31:sc= 0.0224 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 ASN : amide:sc= -0.18 K(o=-0.18,f=-1.7) USER MOD Single : A 122 SER OG : rot 87:sc= 1.19 USER MOD Single : A 124 GLN : amide:sc= 0.774 K(o=0.77,f=0) USER MOD Single : A 128 LYS NZ :NH3+ 164:sc= 1.24 (180deg=1.14) USER MOD ----------------------------------------------------------------- ATOM 186 N SER A 9 -11.362 9.092 6.895 1.00 0.00 N ATOM 187 CA SER A 9 -12.472 8.152 6.661 1.00 0.00 C ATOM 188 C SER A 9 -11.926 6.774 6.297 1.00 0.00 C ATOM 189 O SER A 9 -11.283 6.616 5.261 1.00 0.00 O ATOM 190 CB SER A 9 -13.411 8.663 5.567 1.00 0.00 C ATOM 191 OG SER A 9 -14.699 8.097 5.741 1.00 0.00 O ATOM 0 HA SER A 9 -13.049 8.072 7.583 1.00 0.00 H new ATOM 0 HB2 SER A 9 -13.473 9.751 5.606 1.00 0.00 H new ATOM 0 HB3 SER A 9 -13.018 8.401 4.585 1.00 0.00 H new ATOM 0 HG SER A 9 -15.299 8.427 5.040 1.00 0.00 H new ATOM 197 N VAL A 10 -12.124 5.780 7.162 1.00 0.00 N ATOM 198 CA VAL A 10 -11.554 4.426 7.000 1.00 0.00 C ATOM 199 C VAL A 10 -12.242 3.626 5.883 1.00 0.00 C ATOM 200 O VAL A 10 -13.449 3.751 5.666 1.00 0.00 O ATOM 201 CB VAL A 10 -11.508 3.687 8.353 1.00 0.00 C ATOM 202 CG1 VAL A 10 -12.892 3.323 8.904 1.00 0.00 C ATOM 203 CG2 VAL A 10 -10.649 2.422 8.287 1.00 0.00 C ATOM 0 H VAL A 10 -12.688 5.884 8.005 1.00 0.00 H new ATOM 0 HA VAL A 10 -10.522 4.533 6.666 1.00 0.00 H new ATOM 0 HB VAL A 10 -11.054 4.402 9.039 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -12.780 2.806 9.857 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -13.476 4.232 9.051 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -13.406 2.672 8.196 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -10.645 1.934 9.261 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -11.060 1.741 7.542 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -9.629 2.689 8.011 1.00 0.00 H new ATOM 213 N LEU A 11 -11.463 2.805 5.167 1.00 0.00 N ATOM 214 CA LEU A 11 -11.889 2.056 3.975 1.00 0.00 C ATOM 215 C LEU A 11 -11.557 0.559 4.079 1.00 0.00 C ATOM 216 O LEU A 11 -12.404 -0.278 3.773 1.00 0.00 O ATOM 217 CB LEU A 11 -11.232 2.669 2.718 1.00 0.00 C ATOM 218 CG LEU A 11 -11.645 4.112 2.368 1.00 0.00 C ATOM 219 CD1 LEU A 11 -10.881 4.565 1.123 1.00 0.00 C ATOM 220 CD2 LEU A 11 -13.139 4.242 2.067 1.00 0.00 C ATOM 0 H LEU A 11 -10.486 2.637 5.409 1.00 0.00 H new ATOM 0 HA LEU A 11 -12.974 2.135 3.900 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -10.150 2.645 2.851 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -11.463 2.030 1.865 1.00 0.00 H new ATOM 0 HG LEU A 11 -11.413 4.728 3.237 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -11.169 5.585 0.871 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -9.810 4.529 1.320 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -11.119 3.904 0.290 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -13.373 5.279 1.827 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -13.396 3.607 1.219 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -13.714 3.933 2.940 1.00 0.00 H new ATOM 232 N CYS A 12 -10.348 0.220 4.543 1.00 0.00 N ATOM 233 CA CYS A 12 -9.913 -1.158 4.791 1.00 0.00 C ATOM 234 C CYS A 12 -8.901 -1.205 5.937 1.00 0.00 C ATOM 235 O CYS A 12 -7.955 -0.418 5.964 1.00 0.00 O ATOM 236 CB CYS A 12 -9.285 -1.739 3.518 1.00 0.00 C ATOM 237 SG CYS A 12 -9.023 -3.529 3.691 1.00 0.00 S ATOM 0 H CYS A 12 -9.630 0.911 4.761 1.00 0.00 H new ATOM 0 HA CYS A 12 -10.782 -1.753 5.071 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -9.933 -1.542 2.664 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -8.334 -1.245 3.317 1.00 0.00 H new ATOM 0 HG CYS A 12 -8.493 -3.997 2.600 1.00 0.00 H new ATOM 243 N VAL A 13 -9.072 -2.156 6.851 1.00 0.00 N ATOM 244 CA VAL A 13 -8.113 -2.466 7.921 1.00 0.00 C ATOM 245 C VAL A 13 -7.801 -3.962 7.902 1.00 0.00 C ATOM 246 O VAL A 13 -8.715 -4.789 7.927 1.00 0.00 O ATOM 247 CB VAL A 13 -8.643 -1.999 9.293 1.00 0.00 C ATOM 248 CG1 VAL A 13 -7.718 -2.387 10.454 1.00 0.00 C ATOM 249 CG2 VAL A 13 -8.804 -0.473 9.325 1.00 0.00 C ATOM 0 H VAL A 13 -9.900 -2.751 6.873 1.00 0.00 H new ATOM 0 HA VAL A 13 -7.185 -1.921 7.747 1.00 0.00 H new ATOM 0 HB VAL A 13 -9.603 -2.500 9.420 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -8.143 -2.032 11.393 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -7.615 -3.471 10.490 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -6.738 -1.934 10.305 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -9.179 -0.167 10.302 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -7.838 -0.001 9.143 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -9.509 -0.165 8.553 1.00 0.00 H new ATOM 259 N LYS A 14 -6.507 -4.306 7.870 1.00 0.00 N ATOM 260 CA LYS A 14 -5.989 -5.685 7.969 1.00 0.00 C ATOM 261 C LYS A 14 -4.909 -5.768 9.064 1.00 0.00 C ATOM 262 O LYS A 14 -4.023 -4.910 9.088 1.00 0.00 O ATOM 263 CB LYS A 14 -5.456 -6.196 6.611 1.00 0.00 C ATOM 264 CG LYS A 14 -6.484 -6.225 5.463 1.00 0.00 C ATOM 265 CD LYS A 14 -7.578 -7.284 5.651 1.00 0.00 C ATOM 266 CE LYS A 14 -8.532 -7.297 4.457 1.00 0.00 C ATOM 267 NZ LYS A 14 -9.571 -8.342 4.625 1.00 0.00 N ATOM 0 H LYS A 14 -5.765 -3.613 7.771 1.00 0.00 H new ATOM 0 HA LYS A 14 -6.816 -6.338 8.248 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -4.618 -5.567 6.309 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -5.064 -7.204 6.750 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -6.950 -5.243 5.378 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -5.964 -6.414 4.524 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -7.122 -8.267 5.769 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -8.135 -7.079 6.565 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -9.005 -6.321 4.353 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -7.972 -7.479 3.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -10.177 -8.368 3.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -9.115 -9.268 4.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -10.151 -8.124 5.461 1.00 0.00 H new ATOM 281 N PRO A 15 -4.945 -6.769 9.965 1.00 0.00 N ATOM 282 CA PRO A 15 -4.071 -6.819 11.144 1.00 0.00 C ATOM 283 C PRO A 15 -2.631 -7.278 10.867 1.00 0.00 C ATOM 284 O PRO A 15 -1.769 -7.115 11.730 1.00 0.00 O ATOM 285 CB PRO A 15 -4.746 -7.806 12.095 1.00 0.00 C ATOM 286 CG PRO A 15 -5.479 -8.760 11.154 1.00 0.00 C ATOM 287 CD PRO A 15 -5.931 -7.840 10.026 1.00 0.00 C ATOM 0 HA PRO A 15 -3.960 -5.811 11.543 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -4.017 -8.332 12.712 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -5.435 -7.303 12.774 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -4.825 -9.553 10.792 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -6.324 -9.243 11.645 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -5.982 -8.378 9.080 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -6.927 -7.443 10.221 1.00 0.00 H new ATOM 295 N ASP A 16 -2.371 -7.880 9.705 1.00 0.00 N ATOM 296 CA ASP A 16 -1.077 -8.471 9.357 1.00 0.00 C ATOM 297 C ASP A 16 -0.646 -8.051 7.947 1.00 0.00 C ATOM 298 O ASP A 16 -1.215 -8.488 6.943 1.00 0.00 O ATOM 299 CB ASP A 16 -1.165 -9.996 9.494 1.00 0.00 C ATOM 300 CG ASP A 16 0.191 -10.671 9.230 1.00 0.00 C ATOM 301 OD1 ASP A 16 0.273 -11.545 8.335 1.00 0.00 O ATOM 302 OD2 ASP A 16 1.174 -10.342 9.938 1.00 0.00 O ATOM 0 H ASP A 16 -3.067 -7.972 8.965 1.00 0.00 H new ATOM 0 HA ASP A 16 -0.313 -8.104 10.043 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -1.510 -10.252 10.496 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -1.906 -10.382 8.794 1.00 0.00 H new ATOM 307 N VAL A 17 0.368 -7.190 7.886 1.00 0.00 N ATOM 308 CA VAL A 17 1.019 -6.736 6.650 1.00 0.00 C ATOM 309 C VAL A 17 2.518 -6.524 6.886 1.00 0.00 C ATOM 310 O VAL A 17 2.939 -6.099 7.969 1.00 0.00 O ATOM 311 CB VAL A 17 0.309 -5.490 6.074 1.00 0.00 C ATOM 312 CG1 VAL A 17 0.523 -4.214 6.894 1.00 0.00 C ATOM 313 CG2 VAL A 17 0.728 -5.200 4.630 1.00 0.00 C ATOM 0 H VAL A 17 0.776 -6.773 8.722 1.00 0.00 H new ATOM 0 HA VAL A 17 0.927 -7.512 5.890 1.00 0.00 H new ATOM 0 HB VAL A 17 -0.748 -5.752 6.116 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -0.007 -3.386 6.424 1.00 0.00 H new ATOM 0 HG12 VAL A 17 0.141 -4.362 7.904 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.588 -3.984 6.939 1.00 0.00 H new ATOM 0 HG21 VAL A 17 0.203 -4.316 4.269 1.00 0.00 H new ATOM 0 HG22 VAL A 17 1.803 -5.024 4.591 1.00 0.00 H new ATOM 0 HG23 VAL A 17 0.477 -6.053 4.000 1.00 0.00 H new ATOM 323 N SER A 18 3.325 -6.831 5.872 1.00 0.00 N ATOM 324 CA SER A 18 4.792 -6.841 5.958 1.00 0.00 C ATOM 325 C SER A 18 5.411 -5.965 4.874 1.00 0.00 C ATOM 326 O SER A 18 5.051 -6.101 3.706 1.00 0.00 O ATOM 327 CB SER A 18 5.320 -8.274 5.829 1.00 0.00 C ATOM 328 OG SER A 18 4.773 -9.114 6.835 1.00 0.00 O ATOM 0 H SER A 18 2.975 -7.085 4.948 1.00 0.00 H new ATOM 0 HA SER A 18 5.074 -6.438 6.931 1.00 0.00 H new ATOM 0 HB2 SER A 18 5.069 -8.670 4.845 1.00 0.00 H new ATOM 0 HB3 SER A 18 6.407 -8.272 5.904 1.00 0.00 H new ATOM 0 HG SER A 18 5.125 -10.023 6.729 1.00 0.00 H new ATOM 334 N VAL A 19 6.338 -5.083 5.259 1.00 0.00 N ATOM 335 CA VAL A 19 7.050 -4.152 4.366 1.00 0.00 C ATOM 336 C VAL A 19 8.398 -4.709 3.949 1.00 0.00 C ATOM 337 O VAL A 19 9.194 -5.150 4.780 1.00 0.00 O ATOM 338 CB VAL A 19 7.216 -2.756 4.996 1.00 0.00 C ATOM 339 CG1 VAL A 19 8.121 -1.825 4.173 1.00 0.00 C ATOM 340 CG2 VAL A 19 5.859 -2.062 5.108 1.00 0.00 C ATOM 0 H VAL A 19 6.626 -4.991 6.233 1.00 0.00 H new ATOM 0 HA VAL A 19 6.432 -4.040 3.475 1.00 0.00 H new ATOM 0 HB VAL A 19 7.672 -2.928 5.971 1.00 0.00 H new ATOM 0 HG11 VAL A 19 8.197 -0.858 4.671 1.00 0.00 H new ATOM 0 HG12 VAL A 19 9.114 -2.267 4.085 1.00 0.00 H new ATOM 0 HG13 VAL A 19 7.695 -1.689 3.179 1.00 0.00 H new ATOM 0 HG21 VAL A 19 5.990 -1.076 5.555 1.00 0.00 H new ATOM 0 HG22 VAL A 19 5.422 -1.955 4.115 1.00 0.00 H new ATOM 0 HG23 VAL A 19 5.196 -2.659 5.734 1.00 0.00 H new ATOM 350 N TYR A 20 8.678 -4.589 2.656 1.00 0.00 N ATOM 351 CA TYR A 20 9.970 -4.873 2.054 1.00 0.00 C ATOM 352 C TYR A 20 10.334 -3.734 1.101 1.00 0.00 C ATOM 353 O TYR A 20 9.580 -3.412 0.179 1.00 0.00 O ATOM 354 CB TYR A 20 9.955 -6.235 1.332 1.00 0.00 C ATOM 355 CG TYR A 20 8.837 -7.197 1.701 1.00 0.00 C ATOM 356 CD1 TYR A 20 7.683 -7.276 0.898 1.00 0.00 C ATOM 357 CD2 TYR A 20 8.952 -8.013 2.840 1.00 0.00 C ATOM 358 CE1 TYR A 20 6.660 -8.192 1.217 1.00 0.00 C ATOM 359 CE2 TYR A 20 7.931 -8.922 3.171 1.00 0.00 C ATOM 360 CZ TYR A 20 6.787 -9.022 2.354 1.00 0.00 C ATOM 361 OH TYR A 20 5.829 -9.937 2.664 1.00 0.00 O ATOM 0 H TYR A 20 7.984 -4.280 1.976 1.00 0.00 H new ATOM 0 HA TYR A 20 10.730 -4.938 2.833 1.00 0.00 H new ATOM 0 HB2 TYR A 20 9.903 -6.050 0.259 1.00 0.00 H new ATOM 0 HB3 TYR A 20 10.906 -6.731 1.524 1.00 0.00 H new ATOM 0 HD1 TYR A 20 7.581 -6.633 0.036 1.00 0.00 H new ATOM 0 HD2 TYR A 20 9.830 -7.941 3.465 1.00 0.00 H new ATOM 0 HE1 TYR A 20 5.781 -8.259 0.594 1.00 0.00 H new ATOM 0 HE2 TYR A 20 8.024 -9.543 4.050 1.00 0.00 H new ATOM 0 HH TYR A 20 6.087 -10.417 3.478 1.00 0.00 H new ATOM 371 N ARG A 21 11.501 -3.121 1.296 1.00 0.00 N ATOM 372 CA ARG A 21 12.080 -2.200 0.304 1.00 0.00 C ATOM 373 C ARG A 21 12.388 -2.943 -1.001 1.00 0.00 C ATOM 374 O ARG A 21 12.903 -4.064 -0.993 1.00 0.00 O ATOM 375 CB ARG A 21 13.331 -1.485 0.844 1.00 0.00 C ATOM 376 CG ARG A 21 13.072 -0.523 2.018 1.00 0.00 C ATOM 377 CD ARG A 21 11.950 0.512 1.804 1.00 0.00 C ATOM 378 NE ARG A 21 12.010 1.221 0.504 1.00 0.00 N ATOM 379 CZ ARG A 21 12.875 2.133 0.103 1.00 0.00 C ATOM 380 NH1 ARG A 21 12.709 2.685 -1.063 1.00 0.00 N ATOM 381 NH2 ARG A 21 13.889 2.516 0.824 1.00 0.00 N ATOM 0 H ARG A 21 12.070 -3.243 2.134 1.00 0.00 H new ATOM 0 HA ARG A 21 11.338 -1.429 0.097 1.00 0.00 H new ATOM 0 HB2 ARG A 21 14.053 -2.237 1.162 1.00 0.00 H new ATOM 0 HB3 ARG A 21 13.792 -0.926 0.030 1.00 0.00 H new ATOM 0 HG2 ARG A 21 12.831 -1.115 2.901 1.00 0.00 H new ATOM 0 HG3 ARG A 21 13.997 0.012 2.235 1.00 0.00 H new ATOM 0 HD2 ARG A 21 10.987 0.008 1.885 1.00 0.00 H new ATOM 0 HD3 ARG A 21 11.993 1.247 2.607 1.00 0.00 H new ATOM 0 HE ARG A 21 11.287 0.971 -0.170 1.00 0.00 H new ATOM 0 HH11 ARG A 21 11.921 2.411 -1.650 1.00 0.00 H new ATOM 0 HH12 ARG A 21 13.367 3.392 -1.391 1.00 0.00 H new ATOM 0 HH21 ARG A 21 14.043 2.107 1.745 1.00 0.00 H new ATOM 0 HH22 ARG A 21 14.529 3.225 0.467 1.00 0.00 H new ATOM 395 N ILE A 22 12.050 -2.302 -2.117 1.00 0.00 N ATOM 396 CA ILE A 22 12.150 -2.862 -3.476 1.00 0.00 C ATOM 397 C ILE A 22 13.408 -2.369 -4.223 1.00 0.00 C ATOM 398 O ILE A 22 13.866 -1.248 -3.968 1.00 0.00 O ATOM 399 CB ILE A 22 10.854 -2.591 -4.280 1.00 0.00 C ATOM 400 CG1 ILE A 22 10.646 -1.093 -4.596 1.00 0.00 C ATOM 401 CG2 ILE A 22 9.637 -3.184 -3.547 1.00 0.00 C ATOM 402 CD1 ILE A 22 9.354 -0.824 -5.369 1.00 0.00 C ATOM 0 H ILE A 22 11.687 -1.349 -2.108 1.00 0.00 H new ATOM 0 HA ILE A 22 12.261 -3.942 -3.377 1.00 0.00 H new ATOM 0 HB ILE A 22 10.962 -3.090 -5.243 1.00 0.00 H new ATOM 0 HG12 ILE A 22 10.630 -0.529 -3.664 1.00 0.00 H new ATOM 0 HG13 ILE A 22 11.494 -0.728 -5.176 1.00 0.00 H new ATOM 0 HG21 ILE A 22 8.733 -2.986 -4.123 1.00 0.00 H new ATOM 0 HG22 ILE A 22 9.768 -4.260 -3.436 1.00 0.00 H new ATOM 0 HG23 ILE A 22 9.547 -2.726 -2.562 1.00 0.00 H new ATOM 0 HD11 ILE A 22 9.262 0.245 -5.562 1.00 0.00 H new ATOM 0 HD12 ILE A 22 9.377 -1.363 -6.316 1.00 0.00 H new ATOM 0 HD13 ILE A 22 8.501 -1.161 -4.780 1.00 0.00 H new ATOM 532 N TYR A 31 8.251 -5.492 -11.146 1.00 0.00 N ATOM 533 CA TYR A 31 7.858 -5.944 -9.810 1.00 0.00 C ATOM 534 C TYR A 31 7.211 -7.336 -9.910 1.00 0.00 C ATOM 535 O TYR A 31 6.068 -7.441 -10.334 1.00 0.00 O ATOM 536 CB TYR A 31 6.858 -4.939 -9.214 1.00 0.00 C ATOM 537 CG TYR A 31 7.308 -3.511 -8.954 1.00 0.00 C ATOM 538 CD1 TYR A 31 8.647 -3.092 -9.108 1.00 0.00 C ATOM 539 CD2 TYR A 31 6.331 -2.581 -8.557 1.00 0.00 C ATOM 540 CE1 TYR A 31 8.986 -1.737 -8.920 1.00 0.00 C ATOM 541 CE2 TYR A 31 6.670 -1.232 -8.352 1.00 0.00 C ATOM 542 CZ TYR A 31 7.997 -0.800 -8.547 1.00 0.00 C ATOM 543 OH TYR A 31 8.310 0.514 -8.384 1.00 0.00 O ATOM 0 HA TYR A 31 8.735 -6.007 -9.165 1.00 0.00 H new ATOM 0 HB2 TYR A 31 5.999 -4.895 -9.883 1.00 0.00 H new ATOM 0 HB3 TYR A 31 6.505 -5.349 -8.268 1.00 0.00 H new ATOM 0 HD1 TYR A 31 9.411 -3.809 -9.370 1.00 0.00 H new ATOM 0 HD2 TYR A 31 5.312 -2.906 -8.408 1.00 0.00 H new ATOM 0 HE1 TYR A 31 10.007 -1.414 -9.062 1.00 0.00 H new ATOM 0 HE2 TYR A 31 5.913 -0.526 -8.045 1.00 0.00 H new ATOM 0 HH TYR A 31 7.506 1.012 -8.128 1.00 0.00 H new ATOM 553 N ARG A 32 7.893 -8.411 -9.499 1.00 0.00 N ATOM 554 CA ARG A 32 7.360 -9.804 -9.527 1.00 0.00 C ATOM 555 C ARG A 32 7.211 -10.433 -8.149 1.00 0.00 C ATOM 556 O ARG A 32 7.215 -11.654 -8.025 1.00 0.00 O ATOM 557 CB ARG A 32 8.139 -10.716 -10.502 1.00 0.00 C ATOM 558 CG ARG A 32 9.658 -10.735 -10.272 1.00 0.00 C ATOM 559 CD ARG A 32 10.336 -9.778 -11.257 1.00 0.00 C ATOM 560 NE ARG A 32 10.734 -10.453 -12.509 1.00 0.00 N ATOM 561 CZ ARG A 32 11.822 -11.178 -12.711 1.00 0.00 C ATOM 562 NH1 ARG A 32 12.026 -11.735 -13.869 1.00 0.00 N ATOM 563 NH2 ARG A 32 12.724 -11.374 -11.792 1.00 0.00 N ATOM 0 H ARG A 32 8.842 -8.352 -9.131 1.00 0.00 H new ATOM 0 HA ARG A 32 6.346 -9.712 -9.917 1.00 0.00 H new ATOM 0 HB2 ARG A 32 7.757 -11.733 -10.414 1.00 0.00 H new ATOM 0 HB3 ARG A 32 7.942 -10.389 -11.523 1.00 0.00 H new ATOM 0 HG2 ARG A 32 9.885 -10.440 -9.247 1.00 0.00 H new ATOM 0 HG3 ARG A 32 10.044 -11.745 -10.406 1.00 0.00 H new ATOM 0 HD2 ARG A 32 9.657 -8.958 -11.489 1.00 0.00 H new ATOM 0 HD3 ARG A 32 11.217 -9.340 -10.787 1.00 0.00 H new ATOM 0 HE ARG A 32 10.102 -10.349 -13.303 1.00 0.00 H new ATOM 0 HH11 ARG A 32 11.347 -11.613 -14.620 1.00 0.00 H new ATOM 0 HH12 ARG A 32 12.865 -12.294 -14.025 1.00 0.00 H new ATOM 0 HH21 ARG A 32 12.608 -10.960 -10.867 1.00 0.00 H new ATOM 0 HH22 ARG A 32 13.546 -11.942 -11.997 1.00 0.00 H new ATOM 577 N ALA A 33 7.108 -9.592 -7.122 1.00 0.00 N ATOM 578 CA ALA A 33 7.202 -9.914 -5.697 1.00 0.00 C ATOM 579 C ALA A 33 8.537 -10.568 -5.261 1.00 0.00 C ATOM 580 O ALA A 33 9.182 -10.094 -4.327 1.00 0.00 O ATOM 581 CB ALA A 33 5.958 -10.729 -5.343 1.00 0.00 C ATOM 0 H ALA A 33 6.945 -8.596 -7.273 1.00 0.00 H new ATOM 0 HA ALA A 33 7.222 -8.990 -5.119 1.00 0.00 H new ATOM 0 HB1 ALA A 33 5.985 -10.993 -4.286 1.00 0.00 H new ATOM 0 HB2 ALA A 33 5.065 -10.138 -5.547 1.00 0.00 H new ATOM 0 HB3 ALA A 33 5.936 -11.638 -5.944 1.00 0.00 H new ATOM 587 N SER A 34 9.008 -11.601 -5.964 1.00 0.00 N ATOM 588 CA SER A 34 10.214 -12.387 -5.645 1.00 0.00 C ATOM 589 C SER A 34 11.540 -11.617 -5.767 1.00 0.00 C ATOM 590 O SER A 34 12.565 -12.075 -5.260 1.00 0.00 O ATOM 591 CB SER A 34 10.274 -13.629 -6.542 1.00 0.00 C ATOM 592 OG SER A 34 9.107 -14.422 -6.376 1.00 0.00 O ATOM 0 H SER A 34 8.542 -11.931 -6.809 1.00 0.00 H new ATOM 0 HA SER A 34 10.115 -12.654 -4.593 1.00 0.00 H new ATOM 0 HB2 SER A 34 10.370 -13.327 -7.585 1.00 0.00 H new ATOM 0 HB3 SER A 34 11.158 -14.218 -6.298 1.00 0.00 H new ATOM 0 HG SER A 34 9.161 -15.209 -6.957 1.00 0.00 H new ATOM 598 N ASP A 35 11.533 -10.440 -6.401 1.00 0.00 N ATOM 599 CA ASP A 35 12.680 -9.519 -6.445 1.00 0.00 C ATOM 600 C ASP A 35 12.890 -8.758 -5.118 1.00 0.00 C ATOM 601 O ASP A 35 13.933 -8.126 -4.928 1.00 0.00 O ATOM 602 CB ASP A 35 12.501 -8.534 -7.618 1.00 0.00 C ATOM 603 CG ASP A 35 13.032 -9.068 -8.957 1.00 0.00 C ATOM 604 OD1 ASP A 35 12.898 -10.279 -9.246 1.00 0.00 O ATOM 605 OD2 ASP A 35 13.545 -8.258 -9.764 1.00 0.00 O ATOM 0 H ASP A 35 10.718 -10.092 -6.907 1.00 0.00 H new ATOM 0 HA ASP A 35 13.578 -10.117 -6.597 1.00 0.00 H new ATOM 0 HB2 ASP A 35 11.442 -8.298 -7.725 1.00 0.00 H new ATOM 0 HB3 ASP A 35 13.013 -7.602 -7.380 1.00 0.00 H new ATOM 610 N TRP A 36 11.916 -8.789 -4.201 1.00 0.00 N ATOM 611 CA TRP A 36 11.904 -8.034 -2.952 1.00 0.00 C ATOM 612 C TRP A 36 12.425 -8.870 -1.769 1.00 0.00 C ATOM 613 O TRP A 36 12.603 -10.090 -1.857 1.00 0.00 O ATOM 614 CB TRP A 36 10.471 -7.543 -2.683 1.00 0.00 C ATOM 615 CG TRP A 36 9.686 -6.904 -3.798 1.00 0.00 C ATOM 616 CD1 TRP A 36 10.152 -6.427 -4.980 1.00 0.00 C ATOM 617 CD2 TRP A 36 8.251 -6.629 -3.805 1.00 0.00 C ATOM 618 NE1 TRP A 36 9.111 -5.884 -5.710 1.00 0.00 N ATOM 619 CE2 TRP A 36 7.934 -5.929 -5.005 1.00 0.00 C ATOM 620 CE3 TRP A 36 7.188 -6.876 -2.907 1.00 0.00 C ATOM 621 CZ2 TRP A 36 6.655 -5.440 -5.271 1.00 0.00 C ATOM 622 CZ3 TRP A 36 5.891 -6.392 -3.165 1.00 0.00 C ATOM 623 CH2 TRP A 36 5.629 -5.665 -4.338 1.00 0.00 C ATOM 0 H TRP A 36 11.083 -9.366 -4.318 1.00 0.00 H new ATOM 0 HA TRP A 36 12.576 -7.182 -3.053 1.00 0.00 H new ATOM 0 HB2 TRP A 36 9.895 -8.396 -2.325 1.00 0.00 H new ATOM 0 HB3 TRP A 36 10.520 -6.825 -1.864 1.00 0.00 H new ATOM 0 HD1 TRP A 36 11.182 -6.466 -5.302 1.00 0.00 H new ATOM 0 HE1 TRP A 36 9.205 -5.500 -6.650 1.00 0.00 H new ATOM 0 HE3 TRP A 36 7.373 -7.445 -2.008 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 6.456 -4.896 -6.182 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 5.096 -6.580 -2.459 1.00 0.00 H new ATOM 0 HH2 TRP A 36 4.638 -5.279 -4.523 1.00 0.00 H new ATOM 634 N LYS A 37 12.612 -8.215 -0.620 1.00 0.00 N ATOM 635 CA LYS A 37 13.047 -8.810 0.663 1.00 0.00 C ATOM 636 C LYS A 37 11.940 -9.597 1.392 1.00 0.00 C ATOM 637 O LYS A 37 11.710 -9.406 2.583 1.00 0.00 O ATOM 638 CB LYS A 37 13.694 -7.722 1.535 1.00 0.00 C ATOM 639 CG LYS A 37 15.160 -7.518 1.146 1.00 0.00 C ATOM 640 CD LYS A 37 15.771 -6.353 1.923 1.00 0.00 C ATOM 641 CE LYS A 37 15.827 -6.579 3.440 1.00 0.00 C ATOM 642 NZ LYS A 37 16.305 -5.378 4.170 1.00 0.00 N ATOM 0 H LYS A 37 12.459 -7.209 -0.547 1.00 0.00 H new ATOM 0 HA LYS A 37 13.797 -9.570 0.443 1.00 0.00 H new ATOM 0 HB2 LYS A 37 13.149 -6.785 1.421 1.00 0.00 H new ATOM 0 HB3 LYS A 37 13.627 -8.004 2.586 1.00 0.00 H new ATOM 0 HG2 LYS A 37 15.724 -8.429 1.345 1.00 0.00 H new ATOM 0 HG3 LYS A 37 15.233 -7.325 0.076 1.00 0.00 H new ATOM 0 HD2 LYS A 37 16.781 -6.173 1.555 1.00 0.00 H new ATOM 0 HD3 LYS A 37 15.193 -5.451 1.721 1.00 0.00 H new ATOM 0 HE2 LYS A 37 14.835 -6.851 3.802 1.00 0.00 H new ATOM 0 HE3 LYS A 37 16.487 -7.419 3.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 16.756 -5.670 5.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 16.996 -4.867 3.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 15.499 -4.754 4.378 1.00 0.00 H new ATOM 656 N LEU A 38 11.250 -10.496 0.689 1.00 0.00 N ATOM 657 CA LEU A 38 10.043 -11.192 1.179 1.00 0.00 C ATOM 658 C LEU A 38 10.231 -11.960 2.505 1.00 0.00 C ATOM 659 O LEU A 38 9.308 -12.027 3.317 1.00 0.00 O ATOM 660 CB LEU A 38 9.531 -12.172 0.108 1.00 0.00 C ATOM 661 CG LEU A 38 9.104 -11.554 -1.234 1.00 0.00 C ATOM 662 CD1 LEU A 38 8.470 -12.650 -2.094 1.00 0.00 C ATOM 663 CD2 LEU A 38 8.090 -10.422 -1.065 1.00 0.00 C ATOM 0 H LEU A 38 11.514 -10.771 -0.257 1.00 0.00 H new ATOM 0 HA LEU A 38 9.320 -10.402 1.380 1.00 0.00 H new ATOM 0 HB2 LEU A 38 10.314 -12.905 -0.087 1.00 0.00 H new ATOM 0 HB3 LEU A 38 8.681 -12.715 0.520 1.00 0.00 H new ATOM 0 HG LEU A 38 9.994 -11.134 -1.703 1.00 0.00 H new ATOM 0 HD11 LEU A 38 8.161 -12.229 -3.051 1.00 0.00 H new ATOM 0 HD12 LEU A 38 9.197 -13.444 -2.265 1.00 0.00 H new ATOM 0 HD13 LEU A 38 7.600 -13.059 -1.580 1.00 0.00 H new ATOM 0 HD21 LEU A 38 7.824 -10.023 -2.044 1.00 0.00 H new ATOM 0 HD22 LEU A 38 7.195 -10.805 -0.574 1.00 0.00 H new ATOM 0 HD23 LEU A 38 8.527 -9.630 -0.457 1.00 0.00 H new ATOM 675 N ASP A 39 11.420 -12.523 2.743 1.00 0.00 N ATOM 676 CA ASP A 39 11.770 -13.242 3.983 1.00 0.00 C ATOM 677 C ASP A 39 12.474 -12.347 5.028 1.00 0.00 C ATOM 678 O ASP A 39 12.753 -12.785 6.147 1.00 0.00 O ATOM 679 CB ASP A 39 12.615 -14.475 3.629 1.00 0.00 C ATOM 680 CG ASP A 39 11.811 -15.522 2.839 1.00 0.00 C ATOM 681 OD1 ASP A 39 10.955 -16.212 3.444 1.00 0.00 O ATOM 682 OD2 ASP A 39 12.049 -15.677 1.616 1.00 0.00 O ATOM 0 H ASP A 39 12.185 -12.494 2.069 1.00 0.00 H new ATOM 0 HA ASP A 39 10.843 -13.560 4.459 1.00 0.00 H new ATOM 0 HB2 ASP A 39 13.480 -14.165 3.042 1.00 0.00 H new ATOM 0 HB3 ASP A 39 12.997 -14.927 4.544 1.00 0.00 H new ATOM 687 N GLN A 40 12.751 -11.088 4.672 1.00 0.00 N ATOM 688 CA GLN A 40 13.520 -10.102 5.438 1.00 0.00 C ATOM 689 C GLN A 40 12.754 -8.775 5.596 1.00 0.00 C ATOM 690 O GLN A 40 13.234 -7.737 5.125 1.00 0.00 O ATOM 691 CB GLN A 40 14.867 -9.852 4.730 1.00 0.00 C ATOM 692 CG GLN A 40 15.935 -10.902 4.980 1.00 0.00 C ATOM 693 CD GLN A 40 15.748 -12.220 4.228 1.00 0.00 C ATOM 694 OE1 GLN A 40 15.642 -13.291 4.810 1.00 0.00 O ATOM 695 NE2 GLN A 40 15.741 -12.210 2.911 1.00 0.00 N ATOM 0 H GLN A 40 12.423 -10.707 3.785 1.00 0.00 H new ATOM 0 HA GLN A 40 13.689 -10.502 6.438 1.00 0.00 H new ATOM 0 HB2 GLN A 40 14.688 -9.787 3.657 1.00 0.00 H new ATOM 0 HB3 GLN A 40 15.252 -8.883 5.048 1.00 0.00 H new ATOM 0 HG2 GLN A 40 16.904 -10.482 4.708 1.00 0.00 H new ATOM 0 HG3 GLN A 40 15.968 -11.115 6.049 1.00 0.00 H new ATOM 0 HE21 GLN A 40 15.828 -11.327 2.407 1.00 0.00 H new ATOM 0 HE22 GLN A 40 15.648 -13.085 2.395 1.00 0.00 H new ATOM 704 N PRO A 41 11.557 -8.745 6.213 1.00 0.00 N ATOM 705 CA PRO A 41 10.797 -7.513 6.221 1.00 0.00 C ATOM 706 C PRO A 41 11.484 -6.409 7.026 1.00 0.00 C ATOM 707 O PRO A 41 11.946 -6.609 8.152 1.00 0.00 O ATOM 708 CB PRO A 41 9.390 -7.849 6.729 1.00 0.00 C ATOM 709 CG PRO A 41 9.636 -9.117 7.556 1.00 0.00 C ATOM 710 CD PRO A 41 10.793 -9.815 6.832 1.00 0.00 C ATOM 0 HA PRO A 41 10.730 -7.101 5.214 1.00 0.00 H new ATOM 0 HB2 PRO A 41 8.973 -7.044 7.334 1.00 0.00 H new ATOM 0 HB3 PRO A 41 8.693 -8.026 5.910 1.00 0.00 H new ATOM 0 HG2 PRO A 41 9.897 -8.877 8.587 1.00 0.00 H new ATOM 0 HG3 PRO A 41 8.748 -9.749 7.591 1.00 0.00 H new ATOM 0 HD2 PRO A 41 11.407 -10.385 7.529 1.00 0.00 H new ATOM 0 HD3 PRO A 41 10.423 -10.518 6.085 1.00 0.00 H new ATOM 718 N ASP A 42 11.534 -5.223 6.424 1.00 0.00 N ATOM 719 CA ASP A 42 12.113 -4.014 7.007 1.00 0.00 C ATOM 720 C ASP A 42 11.242 -3.478 8.162 1.00 0.00 C ATOM 721 O ASP A 42 11.747 -2.817 9.073 1.00 0.00 O ATOM 722 CB ASP A 42 12.283 -2.978 5.886 1.00 0.00 C ATOM 723 CG ASP A 42 13.283 -3.451 4.819 1.00 0.00 C ATOM 724 OD1 ASP A 42 14.507 -3.468 5.090 1.00 0.00 O ATOM 725 OD2 ASP A 42 12.849 -3.805 3.700 1.00 0.00 O ATOM 0 H ASP A 42 11.161 -5.072 5.487 1.00 0.00 H new ATOM 0 HA ASP A 42 13.087 -4.237 7.442 1.00 0.00 H new ATOM 0 HB2 ASP A 42 11.317 -2.786 5.419 1.00 0.00 H new ATOM 0 HB3 ASP A 42 12.625 -2.035 6.312 1.00 0.00 H new ATOM 730 N TRP A 43 9.945 -3.809 8.144 1.00 0.00 N ATOM 731 CA TRP A 43 8.963 -3.582 9.212 1.00 0.00 C ATOM 732 C TRP A 43 7.752 -4.521 9.039 1.00 0.00 C ATOM 733 O TRP A 43 7.436 -4.928 7.917 1.00 0.00 O ATOM 734 CB TRP A 43 8.535 -2.106 9.166 1.00 0.00 C ATOM 735 CG TRP A 43 7.360 -1.716 10.005 1.00 0.00 C ATOM 736 CD1 TRP A 43 7.398 -1.171 11.241 1.00 0.00 C ATOM 737 CD2 TRP A 43 5.949 -1.780 9.639 1.00 0.00 C ATOM 738 NE1 TRP A 43 6.113 -0.867 11.651 1.00 0.00 N ATOM 739 CE2 TRP A 43 5.185 -1.175 10.678 1.00 0.00 C ATOM 740 CE3 TRP A 43 5.249 -2.283 8.524 1.00 0.00 C ATOM 741 CZ2 TRP A 43 3.797 -1.004 10.576 1.00 0.00 C ATOM 742 CZ3 TRP A 43 3.858 -2.096 8.406 1.00 0.00 C ATOM 743 CH2 TRP A 43 3.132 -1.458 9.426 1.00 0.00 C ATOM 0 H TRP A 43 9.528 -4.270 7.335 1.00 0.00 H new ATOM 0 HA TRP A 43 9.405 -3.802 10.184 1.00 0.00 H new ATOM 0 HB2 TRP A 43 9.386 -1.496 9.470 1.00 0.00 H new ATOM 0 HB3 TRP A 43 8.312 -1.849 8.130 1.00 0.00 H new ATOM 0 HD1 TRP A 43 8.294 -0.999 11.819 1.00 0.00 H new ATOM 0 HE1 TRP A 43 5.880 -0.465 12.559 1.00 0.00 H new ATOM 0 HE3 TRP A 43 5.784 -2.817 7.753 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 3.246 -0.528 11.373 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 3.344 -2.446 7.523 1.00 0.00 H new ATOM 0 HH2 TRP A 43 2.066 -1.317 9.326 1.00 0.00 H new ATOM 754 N THR A 44 7.039 -4.839 10.125 1.00 0.00 N ATOM 755 CA THR A 44 5.721 -5.504 10.084 1.00 0.00 C ATOM 756 C THR A 44 4.709 -4.833 11.012 1.00 0.00 C ATOM 757 O THR A 44 5.068 -4.292 12.061 1.00 0.00 O ATOM 758 CB THR A 44 5.788 -7.001 10.425 1.00 0.00 C ATOM 759 OG1 THR A 44 6.300 -7.235 11.721 1.00 0.00 O ATOM 760 CG2 THR A 44 6.629 -7.800 9.442 1.00 0.00 C ATOM 0 H THR A 44 7.361 -4.641 11.073 1.00 0.00 H new ATOM 0 HA THR A 44 5.391 -5.402 9.050 1.00 0.00 H new ATOM 0 HB THR A 44 4.753 -7.337 10.367 1.00 0.00 H new ATOM 0 HG1 THR A 44 6.621 -8.159 11.784 1.00 0.00 H new ATOM 0 HG21 THR A 44 6.636 -8.849 9.738 1.00 0.00 H new ATOM 0 HG22 THR A 44 6.205 -7.708 8.442 1.00 0.00 H new ATOM 0 HG23 THR A 44 7.649 -7.416 9.440 1.00 0.00 H new ATOM 768 N GLY A 45 3.427 -4.899 10.647 1.00 0.00 N ATOM 769 CA GLY A 45 2.344 -4.285 11.417 1.00 0.00 C ATOM 770 C GLY A 45 0.970 -4.435 10.766 1.00 0.00 C ATOM 771 O GLY A 45 0.643 -5.497 10.233 1.00 0.00 O ATOM 0 H GLY A 45 3.110 -5.382 9.806 1.00 0.00 H new ATOM 0 HA2 GLY A 45 2.317 -4.732 12.411 1.00 0.00 H new ATOM 0 HA3 GLY A 45 2.560 -3.225 11.550 1.00 0.00 H new ATOM 775 N ARG A 46 0.165 -3.370 10.838 1.00 0.00 N ATOM 776 CA ARG A 46 -1.229 -3.294 10.378 1.00 0.00 C ATOM 777 C ARG A 46 -1.382 -2.375 9.164 1.00 0.00 C ATOM 778 O ARG A 46 -0.707 -1.350 9.051 1.00 0.00 O ATOM 779 CB ARG A 46 -2.133 -2.786 11.515 1.00 0.00 C ATOM 780 CG ARG A 46 -2.047 -3.617 12.807 1.00 0.00 C ATOM 781 CD ARG A 46 -3.042 -3.129 13.869 1.00 0.00 C ATOM 782 NE ARG A 46 -2.650 -1.815 14.416 1.00 0.00 N ATOM 783 CZ ARG A 46 -3.101 -0.621 14.085 1.00 0.00 C ATOM 784 NH1 ARG A 46 -2.554 0.427 14.606 1.00 0.00 N ATOM 785 NH2 ARG A 46 -4.050 -0.395 13.227 1.00 0.00 N ATOM 0 H ARG A 46 0.484 -2.489 11.240 1.00 0.00 H new ATOM 0 HA ARG A 46 -1.528 -4.300 10.082 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -1.867 -1.754 11.742 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -3.166 -2.780 11.168 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -2.244 -4.664 12.579 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -1.034 -3.563 13.206 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -4.038 -3.059 13.431 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -3.099 -3.858 14.677 1.00 0.00 H new ATOM 0 HE ARG A 46 -1.937 -1.833 15.145 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -1.782 0.325 15.265 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -2.894 1.356 14.358 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -4.505 -1.175 12.753 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -4.340 0.562 13.028 1.00 0.00 H new ATOM 799 N LEU A 47 -2.333 -2.716 8.300 1.00 0.00 N ATOM 800 CA LEU A 47 -2.857 -1.867 7.231 1.00 0.00 C ATOM 801 C LEU A 47 -4.034 -1.036 7.761 1.00 0.00 C ATOM 802 O LEU A 47 -4.918 -1.588 8.419 1.00 0.00 O ATOM 803 CB LEU A 47 -3.332 -2.782 6.089 1.00 0.00 C ATOM 804 CG LEU A 47 -3.985 -2.054 4.897 1.00 0.00 C ATOM 805 CD1 LEU A 47 -2.948 -1.318 4.050 1.00 0.00 C ATOM 806 CD2 LEU A 47 -4.721 -3.071 4.035 1.00 0.00 C ATOM 0 H LEU A 47 -2.781 -3.632 8.326 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.086 -1.185 6.872 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.479 -3.353 5.723 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -4.047 -3.500 6.492 1.00 0.00 H new ATOM 0 HG LEU A 47 -4.682 -1.313 5.288 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.446 -0.817 3.220 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -2.435 -0.579 4.665 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -2.223 -2.033 3.661 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.186 -2.563 3.190 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -4.015 -3.815 3.668 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -5.490 -3.563 4.630 1.00 0.00 H new ATOM 818 N ARG A 48 -4.104 0.245 7.386 1.00 0.00 N ATOM 819 CA ARG A 48 -5.296 1.093 7.538 1.00 0.00 C ATOM 820 C ARG A 48 -5.423 2.065 6.360 1.00 0.00 C ATOM 821 O ARG A 48 -4.872 3.165 6.358 1.00 0.00 O ATOM 822 CB ARG A 48 -5.264 1.770 8.922 1.00 0.00 C ATOM 823 CG ARG A 48 -6.454 2.716 9.147 1.00 0.00 C ATOM 824 CD ARG A 48 -6.745 2.913 10.642 1.00 0.00 C ATOM 825 NE ARG A 48 -7.582 4.103 10.874 1.00 0.00 N ATOM 826 CZ ARG A 48 -7.158 5.357 10.888 1.00 0.00 C ATOM 827 NH1 ARG A 48 -7.991 6.350 10.940 1.00 0.00 N ATOM 828 NH2 ARG A 48 -5.908 5.701 10.837 1.00 0.00 N ATOM 0 H ARG A 48 -3.318 0.734 6.959 1.00 0.00 H new ATOM 0 HA ARG A 48 -6.204 0.490 7.506 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -5.263 1.003 9.697 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -4.335 2.330 9.026 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -6.244 3.681 8.686 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -7.338 2.313 8.654 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -7.248 2.030 11.036 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -5.806 3.015 11.187 1.00 0.00 H new ATOM 0 HE ARG A 48 -8.576 3.947 11.038 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -8.995 6.172 10.971 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -7.642 7.308 10.950 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -5.184 4.985 10.782 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -5.650 6.688 10.852 1.00 0.00 H new ATOM 842 N ILE A 49 -6.176 1.648 5.342 1.00 0.00 N ATOM 843 CA ILE A 49 -6.557 2.503 4.212 1.00 0.00 C ATOM 844 C ILE A 49 -7.611 3.501 4.692 1.00 0.00 C ATOM 845 O ILE A 49 -8.627 3.118 5.277 1.00 0.00 O ATOM 846 CB ILE A 49 -7.066 1.702 2.993 1.00 0.00 C ATOM 847 CG1 ILE A 49 -6.131 0.525 2.648 1.00 0.00 C ATOM 848 CG2 ILE A 49 -7.219 2.642 1.782 1.00 0.00 C ATOM 849 CD1 ILE A 49 -6.568 -0.253 1.405 1.00 0.00 C ATOM 0 H ILE A 49 -6.543 0.699 5.276 1.00 0.00 H new ATOM 0 HA ILE A 49 -5.667 3.029 3.866 1.00 0.00 H new ATOM 0 HB ILE A 49 -8.037 1.278 3.249 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -5.121 0.906 2.493 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -6.088 -0.156 3.498 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -7.578 2.074 0.924 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -7.934 3.430 2.021 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -6.254 3.088 1.544 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -5.867 -1.066 1.220 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -7.565 -0.663 1.564 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -6.584 0.416 0.544 1.00 0.00 H new ATOM 861 N THR A 50 -7.363 4.776 4.424 1.00 0.00 N ATOM 862 CA THR A 50 -8.197 5.927 4.786 1.00 0.00 C ATOM 863 C THR A 50 -8.381 6.861 3.579 1.00 0.00 C ATOM 864 O THR A 50 -7.709 6.699 2.563 1.00 0.00 O ATOM 865 CB THR A 50 -7.600 6.670 5.998 1.00 0.00 C ATOM 866 OG1 THR A 50 -6.192 6.682 6.013 1.00 0.00 O ATOM 867 CG2 THR A 50 -8.045 6.053 7.322 1.00 0.00 C ATOM 0 H THR A 50 -6.524 5.057 3.917 1.00 0.00 H new ATOM 0 HA THR A 50 -9.184 5.567 5.076 1.00 0.00 H new ATOM 0 HB THR A 50 -7.973 7.689 5.892 1.00 0.00 H new ATOM 0 HG1 THR A 50 -5.877 7.168 6.803 1.00 0.00 H new ATOM 0 HG21 THR A 50 -7.601 6.607 8.149 1.00 0.00 H new ATOM 0 HG22 THR A 50 -9.132 6.097 7.397 1.00 0.00 H new ATOM 0 HG23 THR A 50 -7.720 5.013 7.366 1.00 0.00 H new ATOM 875 N SER A 51 -9.309 7.821 3.635 1.00 0.00 N ATOM 876 CA SER A 51 -9.539 8.815 2.572 1.00 0.00 C ATOM 877 C SER A 51 -10.294 10.036 3.081 1.00 0.00 C ATOM 878 O SER A 51 -11.152 9.914 3.956 1.00 0.00 O ATOM 879 CB SER A 51 -10.324 8.178 1.421 1.00 0.00 C ATOM 880 OG SER A 51 -10.445 9.074 0.333 1.00 0.00 O ATOM 0 H SER A 51 -9.935 7.935 4.433 1.00 0.00 H new ATOM 0 HA SER A 51 -8.561 9.146 2.223 1.00 0.00 H new ATOM 0 HB2 SER A 51 -9.821 7.268 1.093 1.00 0.00 H new ATOM 0 HB3 SER A 51 -11.315 7.887 1.769 1.00 0.00 H new ATOM 0 HG SER A 51 -9.692 9.701 0.341 1.00 0.00 H new ATOM 886 N LYS A 52 -9.988 11.208 2.513 1.00 0.00 N ATOM 887 CA LYS A 52 -10.825 12.414 2.549 1.00 0.00 C ATOM 888 C LYS A 52 -10.562 13.315 1.336 1.00 0.00 C ATOM 889 O LYS A 52 -9.424 13.652 1.016 1.00 0.00 O ATOM 890 CB LYS A 52 -10.623 13.198 3.854 1.00 0.00 C ATOM 891 CG LYS A 52 -11.500 12.792 5.047 1.00 0.00 C ATOM 892 CD LYS A 52 -13.005 12.654 4.795 1.00 0.00 C ATOM 893 CE LYS A 52 -13.656 12.522 6.174 1.00 0.00 C ATOM 894 NZ LYS A 52 -15.139 12.443 6.088 1.00 0.00 N ATOM 0 H LYS A 52 -9.119 11.348 1.997 1.00 0.00 H new ATOM 0 HA LYS A 52 -11.863 12.085 2.508 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -9.579 13.100 4.151 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -10.798 14.254 3.647 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -11.132 11.839 5.428 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -11.356 13.528 5.838 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -13.392 13.523 4.263 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -13.218 11.781 4.178 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -13.274 11.630 6.671 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -13.374 13.375 6.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -15.538 12.354 7.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -15.507 13.305 5.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -15.410 11.614 5.522 1.00 0.00 H new ATOM 908 N GLY A 53 -11.647 13.744 0.693 1.00 0.00 N ATOM 909 CA GLY A 53 -11.671 14.864 -0.264 1.00 0.00 C ATOM 910 C GLY A 53 -10.985 14.585 -1.606 1.00 0.00 C ATOM 911 O GLY A 53 -10.196 15.405 -2.076 1.00 0.00 O ATOM 0 H GLY A 53 -12.563 13.314 0.823 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -12.709 15.138 -0.454 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -11.193 15.728 0.199 1.00 0.00 H new ATOM 915 N LYS A 54 -11.268 13.416 -2.204 1.00 0.00 N ATOM 916 CA LYS A 54 -10.634 12.879 -3.431 1.00 0.00 C ATOM 917 C LYS A 54 -9.132 12.591 -3.275 1.00 0.00 C ATOM 918 O LYS A 54 -8.409 12.461 -4.264 1.00 0.00 O ATOM 919 CB LYS A 54 -10.973 13.721 -4.681 1.00 0.00 C ATOM 920 CG LYS A 54 -12.485 13.863 -4.927 1.00 0.00 C ATOM 921 CD LYS A 54 -12.812 14.647 -6.206 1.00 0.00 C ATOM 922 CE LYS A 54 -12.369 16.115 -6.116 1.00 0.00 C ATOM 923 NZ LYS A 54 -12.749 16.878 -7.335 1.00 0.00 N ATOM 0 H LYS A 54 -11.978 12.786 -1.831 1.00 0.00 H new ATOM 0 HA LYS A 54 -11.083 11.899 -3.595 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -10.535 14.713 -4.572 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -10.511 13.263 -5.555 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -12.932 12.871 -4.991 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -12.941 14.364 -4.073 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -12.322 14.173 -7.056 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -13.885 14.604 -6.392 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -12.822 16.579 -5.240 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -11.289 16.162 -5.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -12.434 17.865 -7.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -12.297 16.450 -8.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -13.782 16.854 -7.452 1.00 0.00 H new ATOM 937 N THR A 55 -8.686 12.423 -2.031 1.00 0.00 N ATOM 938 CA THR A 55 -7.348 11.948 -1.674 1.00 0.00 C ATOM 939 C THR A 55 -7.475 10.776 -0.707 1.00 0.00 C ATOM 940 O THR A 55 -7.910 10.942 0.434 1.00 0.00 O ATOM 941 CB THR A 55 -6.495 13.062 -1.052 1.00 0.00 C ATOM 942 OG1 THR A 55 -6.466 14.203 -1.890 1.00 0.00 O ATOM 943 CG2 THR A 55 -5.051 12.602 -0.883 1.00 0.00 C ATOM 0 H THR A 55 -9.265 12.620 -1.215 1.00 0.00 H new ATOM 0 HA THR A 55 -6.843 11.626 -2.585 1.00 0.00 H new ATOM 0 HB THR A 55 -6.943 13.303 -0.088 1.00 0.00 H new ATOM 0 HG1 THR A 55 -5.918 14.901 -1.474 1.00 0.00 H new ATOM 0 HG21 THR A 55 -4.462 13.406 -0.441 1.00 0.00 H new ATOM 0 HG22 THR A 55 -5.021 11.729 -0.231 1.00 0.00 H new ATOM 0 HG23 THR A 55 -4.636 12.342 -1.857 1.00 0.00 H new ATOM 951 N ALA A 56 -7.086 9.589 -1.168 1.00 0.00 N ATOM 952 CA ALA A 56 -6.938 8.406 -0.329 1.00 0.00 C ATOM 953 C ALA A 56 -5.546 8.372 0.314 1.00 0.00 C ATOM 954 O ALA A 56 -4.616 9.033 -0.145 1.00 0.00 O ATOM 955 CB ALA A 56 -7.242 7.153 -1.151 1.00 0.00 C ATOM 0 H ALA A 56 -6.862 9.422 -2.149 1.00 0.00 H new ATOM 0 HA ALA A 56 -7.655 8.442 0.491 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -7.131 6.270 -0.522 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -8.264 7.204 -1.528 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -6.549 7.091 -1.990 1.00 0.00 H new ATOM 961 N TYR A 57 -5.403 7.585 1.373 1.00 0.00 N ATOM 962 CA TYR A 57 -4.206 7.464 2.192 1.00 0.00 C ATOM 963 C TYR A 57 -4.024 5.990 2.583 1.00 0.00 C ATOM 964 O TYR A 57 -4.772 5.458 3.404 1.00 0.00 O ATOM 965 CB TYR A 57 -4.358 8.355 3.441 1.00 0.00 C ATOM 966 CG TYR A 57 -4.721 9.815 3.205 1.00 0.00 C ATOM 967 CD1 TYR A 57 -3.740 10.712 2.737 1.00 0.00 C ATOM 968 CD2 TYR A 57 -6.024 10.288 3.486 1.00 0.00 C ATOM 969 CE1 TYR A 57 -4.056 12.071 2.544 1.00 0.00 C ATOM 970 CE2 TYR A 57 -6.344 11.645 3.287 1.00 0.00 C ATOM 971 CZ TYR A 57 -5.361 12.540 2.814 1.00 0.00 C ATOM 972 OH TYR A 57 -5.674 13.853 2.636 1.00 0.00 O ATOM 0 H TYR A 57 -6.159 6.983 1.700 1.00 0.00 H new ATOM 0 HA TYR A 57 -3.325 7.792 1.641 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -5.122 7.914 4.081 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -3.421 8.324 3.996 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -2.742 10.356 2.526 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -6.776 9.606 3.854 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -3.300 12.755 2.189 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -7.342 12.001 3.496 1.00 0.00 H new ATOM 0 HH TYR A 57 -6.615 13.999 2.868 1.00 0.00 H new ATOM 982 N ILE A 58 -3.026 5.304 2.020 1.00 0.00 N ATOM 983 CA ILE A 58 -2.621 3.980 2.512 1.00 0.00 C ATOM 984 C ILE A 58 -1.717 4.227 3.717 1.00 0.00 C ATOM 985 O ILE A 58 -0.524 4.497 3.551 1.00 0.00 O ATOM 986 CB ILE A 58 -1.960 3.106 1.417 1.00 0.00 C ATOM 987 CG1 ILE A 58 -2.913 2.716 0.262 1.00 0.00 C ATOM 988 CG2 ILE A 58 -1.436 1.795 2.036 1.00 0.00 C ATOM 989 CD1 ILE A 58 -3.200 3.835 -0.742 1.00 0.00 C ATOM 0 H ILE A 58 -2.483 5.641 1.225 1.00 0.00 H new ATOM 0 HA ILE A 58 -3.492 3.395 2.808 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.159 3.720 1.004 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -2.484 1.869 -0.273 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -3.858 2.379 0.688 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.973 1.186 1.260 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.699 2.025 2.805 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -2.266 1.246 2.481 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -3.876 3.467 -1.513 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -3.662 4.677 -0.226 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -2.267 4.159 -1.202 1.00 0.00 H new ATOM 1001 N LYS A 59 -2.288 4.197 4.928 1.00 0.00 N ATOM 1002 CA LYS A 59 -1.522 4.324 6.176 1.00 0.00 C ATOM 1003 C LYS A 59 -1.170 2.955 6.763 1.00 0.00 C ATOM 1004 O LYS A 59 -1.988 2.033 6.780 1.00 0.00 O ATOM 1005 CB LYS A 59 -2.233 5.265 7.165 1.00 0.00 C ATOM 1006 CG LYS A 59 -2.513 6.630 6.506 1.00 0.00 C ATOM 1007 CD LYS A 59 -2.707 7.763 7.519 1.00 0.00 C ATOM 1008 CE LYS A 59 -2.932 9.080 6.765 1.00 0.00 C ATOM 1009 NZ LYS A 59 -2.866 10.253 7.670 1.00 0.00 N ATOM 0 H LYS A 59 -3.292 4.084 5.071 1.00 0.00 H new ATOM 0 HA LYS A 59 -0.565 4.794 5.951 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -3.169 4.815 7.495 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -1.616 5.403 8.053 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -1.685 6.882 5.843 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -3.405 6.550 5.885 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -3.559 7.549 8.164 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -1.832 7.844 8.164 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -2.181 9.183 5.982 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -3.904 9.055 6.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -3.654 10.898 7.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -2.933 9.934 8.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -1.964 10.751 7.528 1.00 0.00 H new ATOM 1023 N LEU A 60 0.067 2.829 7.229 1.00 0.00 N ATOM 1024 CA LEU A 60 0.627 1.657 7.902 1.00 0.00 C ATOM 1025 C LEU A 60 0.876 1.985 9.376 1.00 0.00 C ATOM 1026 O LEU A 60 1.424 3.041 9.694 1.00 0.00 O ATOM 1027 CB LEU A 60 1.927 1.237 7.196 1.00 0.00 C ATOM 1028 CG LEU A 60 1.756 0.126 6.148 1.00 0.00 C ATOM 1029 CD1 LEU A 60 0.740 0.442 5.049 1.00 0.00 C ATOM 1030 CD2 LEU A 60 3.107 -0.105 5.477 1.00 0.00 C ATOM 0 H LEU A 60 0.747 3.584 7.144 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.074 0.824 7.853 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.361 2.112 6.711 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.641 0.902 7.948 1.00 0.00 H new ATOM 0 HG LEU A 60 1.383 -0.748 6.683 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.684 -0.396 4.354 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.240 0.609 5.496 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.051 1.338 4.512 1.00 0.00 H new ATOM 0 HD21 LEU A 60 3.011 -0.891 4.728 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.437 0.816 4.997 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.839 -0.406 6.227 1.00 0.00 H new ATOM 1042 N GLU A 61 0.484 1.089 10.277 1.00 0.00 N ATOM 1043 CA GLU A 61 0.427 1.360 11.720 1.00 0.00 C ATOM 1044 C GLU A 61 0.924 0.183 12.563 1.00 0.00 C ATOM 1045 O GLU A 61 0.824 -0.977 12.165 1.00 0.00 O ATOM 1046 CB GLU A 61 -1.005 1.696 12.141 1.00 0.00 C ATOM 1047 CG GLU A 61 -1.666 2.883 11.426 1.00 0.00 C ATOM 1048 CD GLU A 61 -3.089 3.153 11.952 1.00 0.00 C ATOM 1049 OE1 GLU A 61 -3.690 4.168 11.526 1.00 0.00 O ATOM 1050 OE2 GLU A 61 -3.624 2.354 12.767 1.00 0.00 O ATOM 0 H GLU A 61 0.193 0.143 10.029 1.00 0.00 H new ATOM 0 HA GLU A 61 1.088 2.208 11.900 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -1.624 0.813 11.981 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -1.008 1.898 13.212 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -1.054 3.775 11.562 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -1.707 2.684 10.355 1.00 0.00 H new ATOM 1057 N ASP A 62 1.450 0.463 13.754 1.00 0.00 N ATOM 1058 CA ASP A 62 2.022 -0.547 14.630 1.00 0.00 C ATOM 1059 C ASP A 62 0.938 -1.416 15.288 1.00 0.00 C ATOM 1060 O ASP A 62 -0.141 -0.941 15.667 1.00 0.00 O ATOM 1061 CB ASP A 62 2.900 0.153 15.665 1.00 0.00 C ATOM 1062 CG ASP A 62 3.858 -0.833 16.334 1.00 0.00 C ATOM 1063 OD1 ASP A 62 3.407 -1.498 17.290 1.00 0.00 O ATOM 1064 OD2 ASP A 62 5.020 -0.962 15.886 1.00 0.00 O ATOM 0 H ASP A 62 1.489 1.407 14.138 1.00 0.00 H new ATOM 0 HA ASP A 62 2.633 -1.233 14.043 1.00 0.00 H new ATOM 0 HB2 ASP A 62 3.470 0.948 15.184 1.00 0.00 H new ATOM 0 HB3 ASP A 62 2.271 0.623 16.421 1.00 0.00 H new ATOM 1069 N LYS A 63 1.250 -2.704 15.441 1.00 0.00 N ATOM 1070 CA LYS A 63 0.387 -3.749 16.015 1.00 0.00 C ATOM 1071 C LYS A 63 0.408 -3.840 17.544 1.00 0.00 C ATOM 1072 O LYS A 63 -0.392 -4.578 18.120 1.00 0.00 O ATOM 1073 CB LYS A 63 0.702 -5.104 15.341 1.00 0.00 C ATOM 1074 CG LYS A 63 2.211 -5.402 15.275 1.00 0.00 C ATOM 1075 CD LYS A 63 2.518 -6.790 14.705 1.00 0.00 C ATOM 1076 CE LYS A 63 3.994 -6.842 14.286 1.00 0.00 C ATOM 1077 NZ LYS A 63 4.352 -8.138 13.657 1.00 0.00 N ATOM 0 H LYS A 63 2.158 -3.070 15.154 1.00 0.00 H new ATOM 0 HA LYS A 63 -0.641 -3.460 15.795 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.203 -5.902 15.890 1.00 0.00 H new ATOM 0 HB3 LYS A 63 0.292 -5.106 14.331 1.00 0.00 H new ATOM 0 HG2 LYS A 63 2.699 -4.646 14.660 1.00 0.00 H new ATOM 0 HG3 LYS A 63 2.636 -5.323 16.275 1.00 0.00 H new ATOM 0 HD2 LYS A 63 2.311 -7.558 15.451 1.00 0.00 H new ATOM 0 HD3 LYS A 63 1.876 -6.996 13.849 1.00 0.00 H new ATOM 0 HE2 LYS A 63 4.200 -6.031 13.587 1.00 0.00 H new ATOM 0 HE3 LYS A 63 4.624 -6.678 15.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 5.067 -7.980 12.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 4.736 -8.780 14.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 3.504 -8.564 13.232 1.00 0.00 H new ATOM 1091 N VAL A 64 1.279 -3.073 18.197 1.00 0.00 N ATOM 1092 CA VAL A 64 1.424 -3.005 19.657 1.00 0.00 C ATOM 1093 C VAL A 64 1.254 -1.574 20.169 1.00 0.00 C ATOM 1094 O VAL A 64 0.534 -1.361 21.147 1.00 0.00 O ATOM 1095 CB VAL A 64 2.793 -3.580 20.070 1.00 0.00 C ATOM 1096 CG1 VAL A 64 3.069 -3.444 21.573 1.00 0.00 C ATOM 1097 CG2 VAL A 64 2.906 -5.069 19.712 1.00 0.00 C ATOM 0 H VAL A 64 1.929 -2.457 17.709 1.00 0.00 H new ATOM 0 HA VAL A 64 0.636 -3.605 20.112 1.00 0.00 H new ATOM 0 HB VAL A 64 3.526 -2.993 19.517 1.00 0.00 H new ATOM 0 HG11 VAL A 64 4.047 -3.866 21.803 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.054 -2.390 21.852 1.00 0.00 H new ATOM 0 HG13 VAL A 64 2.302 -3.978 22.134 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.883 -5.443 20.017 1.00 0.00 H new ATOM 0 HG22 VAL A 64 2.126 -5.628 20.229 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.789 -5.194 18.636 1.00 0.00 H new ATOM 1107 N SER A 65 1.867 -0.586 19.508 1.00 0.00 N ATOM 1108 CA SER A 65 1.862 0.810 19.973 1.00 0.00 C ATOM 1109 C SER A 65 0.720 1.639 19.376 1.00 0.00 C ATOM 1110 O SER A 65 0.331 2.657 19.950 1.00 0.00 O ATOM 1111 CB SER A 65 3.207 1.477 19.664 1.00 0.00 C ATOM 1112 OG SER A 65 4.258 0.831 20.367 1.00 0.00 O ATOM 0 H SER A 65 2.380 -0.728 18.638 1.00 0.00 H new ATOM 0 HA SER A 65 1.701 0.777 21.051 1.00 0.00 H new ATOM 0 HB2 SER A 65 3.401 1.437 18.592 1.00 0.00 H new ATOM 0 HB3 SER A 65 3.169 2.530 19.942 1.00 0.00 H new ATOM 0 HG SER A 65 5.109 1.268 20.157 1.00 0.00 H new ATOM 1118 N GLY A 66 0.185 1.224 18.220 1.00 0.00 N ATOM 1119 CA GLY A 66 -0.876 1.945 17.503 1.00 0.00 C ATOM 1120 C GLY A 66 -0.374 3.164 16.718 1.00 0.00 C ATOM 1121 O GLY A 66 -1.172 3.928 16.176 1.00 0.00 O ATOM 0 H GLY A 66 0.480 0.368 17.751 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -1.368 1.258 16.814 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -1.629 2.271 18.220 1.00 0.00 H new ATOM 1125 N GLU A 67 0.946 3.359 16.667 1.00 0.00 N ATOM 1126 CA GLU A 67 1.608 4.517 16.067 1.00 0.00 C ATOM 1127 C GLU A 67 1.752 4.391 14.541 1.00 0.00 C ATOM 1128 O GLU A 67 1.800 3.284 14.001 1.00 0.00 O ATOM 1129 CB GLU A 67 2.950 4.759 16.778 1.00 0.00 C ATOM 1130 CG GLU A 67 4.043 3.726 16.467 1.00 0.00 C ATOM 1131 CD GLU A 67 5.340 4.058 17.233 1.00 0.00 C ATOM 1132 OE1 GLU A 67 6.200 4.795 16.691 1.00 0.00 O ATOM 1133 OE2 GLU A 67 5.507 3.584 18.382 1.00 0.00 O ATOM 0 H GLU A 67 1.607 2.688 17.058 1.00 0.00 H new ATOM 0 HA GLU A 67 0.979 5.395 16.214 1.00 0.00 H new ATOM 0 HB2 GLU A 67 3.317 5.748 16.503 1.00 0.00 H new ATOM 0 HB3 GLU A 67 2.777 4.771 17.854 1.00 0.00 H new ATOM 0 HG2 GLU A 67 3.697 2.729 16.742 1.00 0.00 H new ATOM 0 HG3 GLU A 67 4.241 3.710 15.395 1.00 0.00 H new ATOM 1140 N LEU A 68 1.839 5.522 13.838 1.00 0.00 N ATOM 1141 CA LEU A 68 2.019 5.567 12.383 1.00 0.00 C ATOM 1142 C LEU A 68 3.458 5.172 11.992 1.00 0.00 C ATOM 1143 O LEU A 68 4.422 5.792 12.449 1.00 0.00 O ATOM 1144 CB LEU A 68 1.652 6.981 11.890 1.00 0.00 C ATOM 1145 CG LEU A 68 1.652 7.155 10.359 1.00 0.00 C ATOM 1146 CD1 LEU A 68 0.471 6.442 9.702 1.00 0.00 C ATOM 1147 CD2 LEU A 68 1.545 8.637 10.002 1.00 0.00 C ATOM 0 H LEU A 68 1.786 6.446 14.268 1.00 0.00 H new ATOM 0 HA LEU A 68 1.362 4.843 11.902 1.00 0.00 H new ATOM 0 HB2 LEU A 68 0.663 7.237 12.270 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.354 7.694 12.322 1.00 0.00 H new ATOM 0 HG LEU A 68 2.584 6.723 9.994 1.00 0.00 H new ATOM 0 HD11 LEU A 68 0.511 6.591 8.623 1.00 0.00 H new ATOM 0 HD12 LEU A 68 0.521 5.376 9.923 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -0.462 6.850 10.091 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.546 8.751 8.918 1.00 0.00 H new ATOM 0 HD22 LEU A 68 0.619 9.043 10.409 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.394 9.175 10.424 1.00 0.00 H new ATOM 1159 N PHE A 69 3.602 4.181 11.109 1.00 0.00 N ATOM 1160 CA PHE A 69 4.875 3.827 10.468 1.00 0.00 C ATOM 1161 C PHE A 69 5.126 4.704 9.232 1.00 0.00 C ATOM 1162 O PHE A 69 6.140 5.400 9.157 1.00 0.00 O ATOM 1163 CB PHE A 69 4.886 2.331 10.112 1.00 0.00 C ATOM 1164 CG PHE A 69 6.041 1.917 9.212 1.00 0.00 C ATOM 1165 CD1 PHE A 69 5.807 1.553 7.870 1.00 0.00 C ATOM 1166 CD2 PHE A 69 7.361 1.942 9.703 1.00 0.00 C ATOM 1167 CE1 PHE A 69 6.887 1.236 7.025 1.00 0.00 C ATOM 1168 CE2 PHE A 69 8.438 1.607 8.863 1.00 0.00 C ATOM 1169 CZ PHE A 69 8.201 1.255 7.522 1.00 0.00 C ATOM 0 H PHE A 69 2.825 3.590 10.813 1.00 0.00 H new ATOM 0 HA PHE A 69 5.689 4.015 11.169 1.00 0.00 H new ATOM 0 HB2 PHE A 69 4.930 1.749 11.033 1.00 0.00 H new ATOM 0 HB3 PHE A 69 3.947 2.078 9.620 1.00 0.00 H new ATOM 0 HD1 PHE A 69 4.797 1.517 7.490 1.00 0.00 H new ATOM 0 HD2 PHE A 69 7.547 2.220 10.730 1.00 0.00 H new ATOM 0 HE1 PHE A 69 6.705 0.978 5.992 1.00 0.00 H new ATOM 0 HE2 PHE A 69 9.447 1.620 9.248 1.00 0.00 H new ATOM 0 HZ PHE A 69 9.028 1.000 6.876 1.00 0.00 H new ATOM 1179 N ALA A 70 4.188 4.688 8.280 1.00 0.00 N ATOM 1180 CA ALA A 70 4.257 5.442 7.030 1.00 0.00 C ATOM 1181 C ALA A 70 2.859 5.692 6.436 1.00 0.00 C ATOM 1182 O ALA A 70 1.890 5.019 6.794 1.00 0.00 O ATOM 1183 CB ALA A 70 5.137 4.662 6.043 1.00 0.00 C ATOM 0 H ALA A 70 3.336 4.133 8.363 1.00 0.00 H new ATOM 0 HA ALA A 70 4.692 6.422 7.227 1.00 0.00 H new ATOM 0 HB1 ALA A 70 5.201 5.209 5.102 1.00 0.00 H new ATOM 0 HB2 ALA A 70 6.136 4.542 6.462 1.00 0.00 H new ATOM 0 HB3 ALA A 70 4.699 3.680 5.863 1.00 0.00 H new ATOM 1189 N GLN A 71 2.763 6.642 5.505 1.00 0.00 N ATOM 1190 CA GLN A 71 1.529 6.984 4.788 1.00 0.00 C ATOM 1191 C GLN A 71 1.800 7.262 3.302 1.00 0.00 C ATOM 1192 O GLN A 71 2.741 7.981 2.974 1.00 0.00 O ATOM 1193 CB GLN A 71 0.847 8.191 5.461 1.00 0.00 C ATOM 1194 CG GLN A 71 1.799 9.368 5.745 1.00 0.00 C ATOM 1195 CD GLN A 71 1.087 10.715 5.780 1.00 0.00 C ATOM 1196 OE1 GLN A 71 0.049 10.894 6.407 1.00 0.00 O ATOM 1197 NE2 GLN A 71 1.620 11.701 5.091 1.00 0.00 N ATOM 0 H GLN A 71 3.560 7.211 5.220 1.00 0.00 H new ATOM 0 HA GLN A 71 0.856 6.128 4.837 1.00 0.00 H new ATOM 0 HB2 GLN A 71 0.035 8.539 4.823 1.00 0.00 H new ATOM 0 HB3 GLN A 71 0.398 7.865 6.399 1.00 0.00 H new ATOM 0 HG2 GLN A 71 2.298 9.202 6.700 1.00 0.00 H new ATOM 0 HG3 GLN A 71 2.575 9.393 4.980 1.00 0.00 H new ATOM 0 HE21 GLN A 71 2.484 11.550 4.570 1.00 0.00 H new ATOM 0 HE22 GLN A 71 1.169 12.616 5.078 1.00 0.00 H new ATOM 1206 N ALA A 72 0.970 6.734 2.401 1.00 0.00 N ATOM 1207 CA ALA A 72 1.030 6.998 0.960 1.00 0.00 C ATOM 1208 C ALA A 72 -0.271 7.664 0.463 1.00 0.00 C ATOM 1209 O ALA A 72 -1.285 6.975 0.310 1.00 0.00 O ATOM 1210 CB ALA A 72 1.346 5.685 0.234 1.00 0.00 C ATOM 0 H ALA A 72 0.218 6.095 2.658 1.00 0.00 H new ATOM 0 HA ALA A 72 1.826 7.709 0.740 1.00 0.00 H new ATOM 0 HB1 ALA A 72 1.394 5.865 -0.840 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.305 5.299 0.580 1.00 0.00 H new ATOM 0 HB3 ALA A 72 0.564 4.955 0.445 1.00 0.00 H new ATOM 1216 N PRO A 73 -0.271 8.992 0.219 1.00 0.00 N ATOM 1217 CA PRO A 73 -1.392 9.708 -0.387 1.00 0.00 C ATOM 1218 C PRO A 73 -1.570 9.353 -1.868 1.00 0.00 C ATOM 1219 O PRO A 73 -0.594 9.300 -2.618 1.00 0.00 O ATOM 1220 CB PRO A 73 -1.102 11.206 -0.216 1.00 0.00 C ATOM 1221 CG PRO A 73 -0.021 11.254 0.860 1.00 0.00 C ATOM 1222 CD PRO A 73 0.738 9.952 0.633 1.00 0.00 C ATOM 0 HA PRO A 73 -2.325 9.426 0.102 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -0.757 11.654 -1.148 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -1.994 11.753 0.090 1.00 0.00 H new ATOM 0 HG2 PRO A 73 0.625 12.124 0.746 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -0.449 11.304 1.861 1.00 0.00 H new ATOM 0 HD2 PRO A 73 1.506 10.071 -0.132 1.00 0.00 H new ATOM 0 HD3 PRO A 73 1.242 9.626 1.543 1.00 0.00 H new ATOM 1230 N VAL A 74 -2.817 9.166 -2.301 1.00 0.00 N ATOM 1231 CA VAL A 74 -3.217 8.804 -3.671 1.00 0.00 C ATOM 1232 C VAL A 74 -4.351 9.728 -4.127 1.00 0.00 C ATOM 1233 O VAL A 74 -5.327 9.894 -3.401 1.00 0.00 O ATOM 1234 CB VAL A 74 -3.696 7.334 -3.734 1.00 0.00 C ATOM 1235 CG1 VAL A 74 -4.030 6.903 -5.164 1.00 0.00 C ATOM 1236 CG2 VAL A 74 -2.693 6.319 -3.176 1.00 0.00 C ATOM 0 H VAL A 74 -3.619 9.267 -1.679 1.00 0.00 H new ATOM 0 HA VAL A 74 -2.354 8.916 -4.328 1.00 0.00 H new ATOM 0 HB VAL A 74 -4.585 7.327 -3.103 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -4.362 5.865 -5.163 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -4.823 7.537 -5.559 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -3.143 6.999 -5.790 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -3.108 5.314 -3.259 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -1.764 6.376 -3.743 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -2.492 6.544 -2.128 1.00 0.00 H new ATOM 1246 N GLU A 75 -4.262 10.307 -5.328 1.00 0.00 N ATOM 1247 CA GLU A 75 -5.297 11.226 -5.858 1.00 0.00 C ATOM 1248 C GLU A 75 -6.253 10.571 -6.877 1.00 0.00 C ATOM 1249 O GLU A 75 -7.313 11.119 -7.182 1.00 0.00 O ATOM 1250 CB GLU A 75 -4.624 12.469 -6.465 1.00 0.00 C ATOM 1251 CG GLU A 75 -3.888 13.313 -5.416 1.00 0.00 C ATOM 1252 CD GLU A 75 -3.293 14.583 -6.056 1.00 0.00 C ATOM 1253 OE1 GLU A 75 -2.145 14.531 -6.561 1.00 0.00 O ATOM 1254 OE2 GLU A 75 -3.966 15.643 -6.060 1.00 0.00 O ATOM 0 H GLU A 75 -3.479 10.159 -5.964 1.00 0.00 H new ATOM 0 HA GLU A 75 -5.923 11.513 -5.013 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -3.918 12.156 -7.235 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -5.379 13.083 -6.956 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -4.576 13.591 -4.618 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -3.093 12.723 -4.960 1.00 0.00 H new ATOM 1261 N GLN A 76 -5.878 9.409 -7.423 1.00 0.00 N ATOM 1262 CA GLN A 76 -6.687 8.581 -8.332 1.00 0.00 C ATOM 1263 C GLN A 76 -6.134 7.146 -8.386 1.00 0.00 C ATOM 1264 O GLN A 76 -4.939 6.937 -8.173 1.00 0.00 O ATOM 1265 CB GLN A 76 -6.789 9.196 -9.751 1.00 0.00 C ATOM 1266 CG GLN A 76 -5.624 10.076 -10.248 1.00 0.00 C ATOM 1267 CD GLN A 76 -4.254 9.400 -10.208 1.00 0.00 C ATOM 1268 OE1 GLN A 76 -3.957 8.483 -10.960 1.00 0.00 O ATOM 1269 NE2 GLN A 76 -3.358 9.843 -9.349 1.00 0.00 N ATOM 0 H GLN A 76 -4.962 9.000 -7.237 1.00 0.00 H new ATOM 0 HA GLN A 76 -7.700 8.549 -7.932 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -6.915 8.378 -10.460 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -7.699 9.795 -9.790 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -5.832 10.386 -11.272 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -5.586 10.981 -9.642 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -3.593 10.608 -8.716 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -2.430 9.421 -9.317 1.00 0.00 H new ATOM 1278 N TYR A 77 -6.992 6.156 -8.662 1.00 0.00 N ATOM 1279 CA TYR A 77 -6.643 4.731 -8.604 1.00 0.00 C ATOM 1280 C TYR A 77 -6.923 3.967 -9.916 1.00 0.00 C ATOM 1281 O TYR A 77 -8.025 4.104 -10.458 1.00 0.00 O ATOM 1282 CB TYR A 77 -7.386 4.070 -7.438 1.00 0.00 C ATOM 1283 CG TYR A 77 -6.833 2.703 -7.108 1.00 0.00 C ATOM 1284 CD1 TYR A 77 -5.667 2.632 -6.333 1.00 0.00 C ATOM 1285 CD2 TYR A 77 -7.407 1.529 -7.627 1.00 0.00 C ATOM 1286 CE1 TYR A 77 -5.044 1.395 -6.087 1.00 0.00 C ATOM 1287 CE2 TYR A 77 -6.814 0.280 -7.350 1.00 0.00 C ATOM 1288 CZ TYR A 77 -5.627 0.209 -6.586 1.00 0.00 C ATOM 1289 OH TYR A 77 -5.045 -0.996 -6.350 1.00 0.00 O ATOM 0 H TYR A 77 -7.960 6.324 -8.935 1.00 0.00 H new ATOM 0 HA TYR A 77 -5.565 4.678 -8.451 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -7.318 4.709 -6.558 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -8.443 3.981 -7.687 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -5.243 3.536 -5.921 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -8.298 1.584 -8.235 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -4.126 1.352 -5.520 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -7.269 -0.626 -7.723 1.00 0.00 H new ATOM 0 HH TYR A 77 -4.566 -0.966 -5.496 1.00 0.00 H new ATOM 1299 N PRO A 78 -5.992 3.117 -10.400 1.00 0.00 N ATOM 1300 CA PRO A 78 -4.589 3.025 -9.976 1.00 0.00 C ATOM 1301 C PRO A 78 -3.805 4.296 -10.361 1.00 0.00 C ATOM 1302 O PRO A 78 -4.117 4.944 -11.363 1.00 0.00 O ATOM 1303 CB PRO A 78 -4.038 1.778 -10.673 1.00 0.00 C ATOM 1304 CG PRO A 78 -4.859 1.707 -11.960 1.00 0.00 C ATOM 1305 CD PRO A 78 -6.232 2.218 -11.521 1.00 0.00 C ATOM 0 HA PRO A 78 -4.494 2.946 -8.893 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -2.972 1.870 -10.880 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -4.168 0.885 -10.062 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -4.430 2.327 -12.747 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -4.912 0.690 -12.349 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -6.733 2.739 -12.337 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -6.879 1.392 -11.226 1.00 0.00 H new ATOM 1313 N GLY A 79 -2.793 4.655 -9.565 1.00 0.00 N ATOM 1314 CA GLY A 79 -2.030 5.906 -9.727 1.00 0.00 C ATOM 1315 C GLY A 79 -0.556 5.827 -9.313 1.00 0.00 C ATOM 1316 O GLY A 79 -0.036 4.762 -8.986 1.00 0.00 O ATOM 0 H GLY A 79 -2.474 4.084 -8.782 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -2.082 6.212 -10.772 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -2.514 6.687 -9.141 1.00 0.00 H new ATOM 1320 N ILE A 80 0.134 6.975 -9.303 1.00 0.00 N ATOM 1321 CA ILE A 80 1.588 7.071 -9.044 1.00 0.00 C ATOM 1322 C ILE A 80 2.016 6.508 -7.677 1.00 0.00 C ATOM 1323 O ILE A 80 3.132 6.014 -7.522 1.00 0.00 O ATOM 1324 CB ILE A 80 2.051 8.542 -9.213 1.00 0.00 C ATOM 1325 CG1 ILE A 80 3.570 8.751 -9.022 1.00 0.00 C ATOM 1326 CG2 ILE A 80 1.328 9.511 -8.255 1.00 0.00 C ATOM 1327 CD1 ILE A 80 4.454 7.936 -9.969 1.00 0.00 C ATOM 0 H ILE A 80 -0.303 7.880 -9.477 1.00 0.00 H new ATOM 0 HA ILE A 80 2.083 6.439 -9.781 1.00 0.00 H new ATOM 0 HB ILE A 80 1.789 8.766 -10.247 1.00 0.00 H new ATOM 0 HG12 ILE A 80 3.797 9.809 -9.156 1.00 0.00 H new ATOM 0 HG13 ILE A 80 3.831 8.497 -7.995 1.00 0.00 H new ATOM 0 HG21 ILE A 80 1.693 10.525 -8.419 1.00 0.00 H new ATOM 0 HG22 ILE A 80 0.255 9.477 -8.444 1.00 0.00 H new ATOM 0 HG23 ILE A 80 1.524 9.217 -7.224 1.00 0.00 H new ATOM 0 HD11 ILE A 80 5.503 8.148 -9.761 1.00 0.00 H new ATOM 0 HD12 ILE A 80 4.262 6.873 -9.821 1.00 0.00 H new ATOM 0 HD13 ILE A 80 4.227 8.206 -11.001 1.00 0.00 H new ATOM 1339 N ALA A 81 1.127 6.559 -6.684 1.00 0.00 N ATOM 1340 CA ALA A 81 1.413 6.208 -5.299 1.00 0.00 C ATOM 1341 C ALA A 81 0.930 4.806 -4.904 1.00 0.00 C ATOM 1342 O ALA A 81 1.012 4.461 -3.726 1.00 0.00 O ATOM 1343 CB ALA A 81 0.867 7.343 -4.429 1.00 0.00 C ATOM 0 H ALA A 81 0.162 6.855 -6.829 1.00 0.00 H new ATOM 0 HA ALA A 81 2.489 6.123 -5.144 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.060 7.122 -3.379 1.00 0.00 H new ATOM 0 HB2 ALA A 81 1.359 8.277 -4.699 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -0.207 7.439 -4.588 1.00 0.00 H new ATOM 1349 N VAL A 82 0.460 3.994 -5.861 1.00 0.00 N ATOM 1350 CA VAL A 82 -0.013 2.621 -5.617 1.00 0.00 C ATOM 1351 C VAL A 82 -0.011 1.746 -6.878 1.00 0.00 C ATOM 1352 O VAL A 82 -0.572 2.099 -7.913 1.00 0.00 O ATOM 1353 CB VAL A 82 -1.396 2.613 -4.945 1.00 0.00 C ATOM 1354 CG1 VAL A 82 -2.458 3.382 -5.728 1.00 0.00 C ATOM 1355 CG2 VAL A 82 -1.797 1.178 -4.577 1.00 0.00 C ATOM 0 H VAL A 82 0.396 4.274 -6.840 1.00 0.00 H new ATOM 0 HA VAL A 82 0.707 2.175 -4.930 1.00 0.00 H new ATOM 0 HB VAL A 82 -1.321 3.173 -4.013 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -3.408 3.334 -5.196 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -2.152 4.423 -5.831 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.573 2.938 -6.717 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -2.778 1.185 -4.102 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -1.835 0.568 -5.480 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -1.063 0.760 -3.888 1.00 0.00 H new ATOM 1365 N GLU A 83 0.605 0.572 -6.768 1.00 0.00 N ATOM 1366 CA GLU A 83 0.958 -0.332 -7.876 1.00 0.00 C ATOM 1367 C GLU A 83 0.933 -1.817 -7.485 1.00 0.00 C ATOM 1368 O GLU A 83 0.922 -2.174 -6.306 1.00 0.00 O ATOM 1369 CB GLU A 83 2.356 0.027 -8.424 1.00 0.00 C ATOM 1370 CG GLU A 83 2.304 1.069 -9.546 1.00 0.00 C ATOM 1371 CD GLU A 83 1.915 0.480 -10.920 1.00 0.00 C ATOM 1372 OE1 GLU A 83 0.977 -0.350 -10.995 1.00 0.00 O ATOM 1373 OE2 GLU A 83 2.523 0.880 -11.944 1.00 0.00 O ATOM 0 H GLU A 83 0.889 0.200 -5.861 1.00 0.00 H new ATOM 0 HA GLU A 83 0.195 -0.190 -8.642 1.00 0.00 H new ATOM 0 HB2 GLU A 83 2.974 0.407 -7.610 1.00 0.00 H new ATOM 0 HB3 GLU A 83 2.839 -0.877 -8.796 1.00 0.00 H new ATOM 0 HG2 GLU A 83 1.587 1.845 -9.277 1.00 0.00 H new ATOM 0 HG3 GLU A 83 3.279 1.550 -9.629 1.00 0.00 H new ATOM 1380 N THR A 84 0.946 -2.687 -8.495 1.00 0.00 N ATOM 1381 CA THR A 84 0.777 -4.151 -8.399 1.00 0.00 C ATOM 1382 C THR A 84 1.986 -4.899 -8.981 1.00 0.00 C ATOM 1383 O THR A 84 2.718 -4.373 -9.826 1.00 0.00 O ATOM 1384 CB THR A 84 -0.509 -4.588 -9.131 1.00 0.00 C ATOM 1385 OG1 THR A 84 -0.408 -4.359 -10.523 1.00 0.00 O ATOM 1386 CG2 THR A 84 -1.747 -3.820 -8.657 1.00 0.00 C ATOM 0 H THR A 84 1.082 -2.380 -9.458 1.00 0.00 H new ATOM 0 HA THR A 84 0.699 -4.406 -7.342 1.00 0.00 H new ATOM 0 HB THR A 84 -0.618 -5.649 -8.906 1.00 0.00 H new ATOM 0 HG1 THR A 84 -1.235 -4.646 -10.963 1.00 0.00 H new ATOM 0 HG21 THR A 84 -2.623 -4.168 -9.205 1.00 0.00 H new ATOM 0 HG22 THR A 84 -1.895 -3.991 -7.591 1.00 0.00 H new ATOM 0 HG23 THR A 84 -1.605 -2.754 -8.838 1.00 0.00 H new ATOM 1394 N VAL A 85 2.211 -6.141 -8.540 1.00 0.00 N ATOM 1395 CA VAL A 85 3.233 -7.038 -9.106 1.00 0.00 C ATOM 1396 C VAL A 85 2.714 -7.791 -10.343 1.00 0.00 C ATOM 1397 O VAL A 85 1.521 -7.768 -10.655 1.00 0.00 O ATOM 1398 CB VAL A 85 3.758 -8.028 -8.052 1.00 0.00 C ATOM 1399 CG1 VAL A 85 4.310 -7.297 -6.831 1.00 0.00 C ATOM 1400 CG2 VAL A 85 2.687 -9.012 -7.600 1.00 0.00 C ATOM 0 H VAL A 85 1.685 -6.559 -7.772 1.00 0.00 H new ATOM 0 HA VAL A 85 4.063 -6.408 -9.425 1.00 0.00 H new ATOM 0 HB VAL A 85 4.559 -8.587 -8.535 1.00 0.00 H new ATOM 0 HG11 VAL A 85 4.673 -8.024 -6.105 1.00 0.00 H new ATOM 0 HG12 VAL A 85 5.131 -6.648 -7.136 1.00 0.00 H new ATOM 0 HG13 VAL A 85 3.521 -6.696 -6.379 1.00 0.00 H new ATOM 0 HG21 VAL A 85 3.106 -9.690 -6.856 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.852 -8.465 -7.163 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.336 -9.586 -8.457 1.00 0.00 H new ATOM 1410 N THR A 86 3.601 -8.519 -11.021 1.00 0.00 N ATOM 1411 CA THR A 86 3.292 -9.344 -12.201 1.00 0.00 C ATOM 1412 C THR A 86 2.882 -10.772 -11.828 1.00 0.00 C ATOM 1413 O THR A 86 2.048 -11.377 -12.505 1.00 0.00 O ATOM 1414 CB THR A 86 4.502 -9.419 -13.146 1.00 0.00 C ATOM 1415 OG1 THR A 86 5.575 -10.080 -12.514 1.00 0.00 O ATOM 1416 CG2 THR A 86 5.033 -8.048 -13.556 1.00 0.00 C ATOM 0 H THR A 86 4.586 -8.556 -10.760 1.00 0.00 H new ATOM 0 HA THR A 86 2.451 -8.859 -12.697 1.00 0.00 H new ATOM 0 HB THR A 86 4.145 -9.950 -14.028 1.00 0.00 H new ATOM 0 HG1 THR A 86 6.339 -10.123 -13.126 1.00 0.00 H new ATOM 0 HG21 THR A 86 5.886 -8.173 -14.223 1.00 0.00 H new ATOM 0 HG22 THR A 86 4.249 -7.493 -14.071 1.00 0.00 H new ATOM 0 HG23 THR A 86 5.344 -7.498 -12.668 1.00 0.00 H new ATOM 1424 N ASP A 87 3.470 -11.321 -10.759 1.00 0.00 N ATOM 1425 CA ASP A 87 3.443 -12.760 -10.470 1.00 0.00 C ATOM 1426 C ASP A 87 2.289 -13.190 -9.551 1.00 0.00 C ATOM 1427 O ASP A 87 1.643 -14.208 -9.818 1.00 0.00 O ATOM 1428 CB ASP A 87 4.795 -13.172 -9.877 1.00 0.00 C ATOM 1429 CG ASP A 87 4.892 -14.697 -9.697 1.00 0.00 C ATOM 1430 OD1 ASP A 87 4.712 -15.189 -8.558 1.00 0.00 O ATOM 1431 OD2 ASP A 87 5.150 -15.406 -10.699 1.00 0.00 O ATOM 0 H ASP A 87 3.982 -10.776 -10.065 1.00 0.00 H new ATOM 0 HA ASP A 87 3.264 -13.276 -11.413 1.00 0.00 H new ATOM 0 HB2 ASP A 87 5.599 -12.830 -10.529 1.00 0.00 H new ATOM 0 HB3 ASP A 87 4.935 -12.681 -8.914 1.00 0.00 H new ATOM 1436 N SER A 88 2.019 -12.429 -8.480 1.00 0.00 N ATOM 1437 CA SER A 88 1.015 -12.819 -7.465 1.00 0.00 C ATOM 1438 C SER A 88 0.253 -11.640 -6.851 1.00 0.00 C ATOM 1439 O SER A 88 0.845 -10.761 -6.232 1.00 0.00 O ATOM 1440 CB SER A 88 1.693 -13.651 -6.373 1.00 0.00 C ATOM 1441 OG SER A 88 0.726 -14.114 -5.446 1.00 0.00 O ATOM 0 H SER A 88 2.479 -11.539 -8.290 1.00 0.00 H new ATOM 0 HA SER A 88 0.260 -13.411 -7.983 1.00 0.00 H new ATOM 0 HB2 SER A 88 2.215 -14.497 -6.820 1.00 0.00 H new ATOM 0 HB3 SER A 88 2.443 -13.050 -5.859 1.00 0.00 H new ATOM 0 HG SER A 88 1.167 -14.647 -4.752 1.00 0.00 H new ATOM 1447 N SER A 89 -1.079 -11.623 -6.965 1.00 0.00 N ATOM 1448 CA SER A 89 -1.922 -10.458 -6.621 1.00 0.00 C ATOM 1449 C SER A 89 -1.972 -10.093 -5.124 1.00 0.00 C ATOM 1450 O SER A 89 -2.605 -9.100 -4.765 1.00 0.00 O ATOM 1451 CB SER A 89 -3.356 -10.635 -7.143 1.00 0.00 C ATOM 1452 OG SER A 89 -3.412 -11.382 -8.354 1.00 0.00 O ATOM 0 H SER A 89 -1.614 -12.423 -7.302 1.00 0.00 H new ATOM 0 HA SER A 89 -1.427 -9.625 -7.120 1.00 0.00 H new ATOM 0 HB2 SER A 89 -3.955 -11.137 -6.383 1.00 0.00 H new ATOM 0 HB3 SER A 89 -3.803 -9.654 -7.305 1.00 0.00 H new ATOM 0 HG SER A 89 -3.666 -10.790 -9.092 1.00 0.00 H new ATOM 1458 N ARG A 90 -1.307 -10.859 -4.244 1.00 0.00 N ATOM 1459 CA ARG A 90 -1.151 -10.585 -2.801 1.00 0.00 C ATOM 1460 C ARG A 90 0.063 -9.715 -2.445 1.00 0.00 C ATOM 1461 O ARG A 90 0.508 -9.726 -1.296 1.00 0.00 O ATOM 1462 CB ARG A 90 -1.316 -11.869 -1.960 1.00 0.00 C ATOM 1463 CG ARG A 90 -0.456 -13.051 -2.427 1.00 0.00 C ATOM 1464 CD ARG A 90 -0.527 -14.244 -1.465 1.00 0.00 C ATOM 1465 NE ARG A 90 0.264 -14.010 -0.240 1.00 0.00 N ATOM 1466 CZ ARG A 90 1.319 -14.677 0.191 1.00 0.00 C ATOM 1467 NH1 ARG A 90 1.897 -14.300 1.292 1.00 0.00 N ATOM 1468 NH2 ARG A 90 1.816 -15.707 -0.434 1.00 0.00 N ATOM 0 H ARG A 90 -0.843 -11.722 -4.527 1.00 0.00 H new ATOM 0 HA ARG A 90 -1.980 -9.939 -2.514 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -1.068 -11.643 -0.923 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -2.364 -12.169 -1.979 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -0.785 -13.367 -3.417 1.00 0.00 H new ATOM 0 HG3 ARG A 90 0.580 -12.727 -2.523 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -1.566 -14.432 -1.196 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -0.161 -15.139 -1.968 1.00 0.00 H new ATOM 0 HE ARG A 90 -0.044 -13.235 0.348 1.00 0.00 H new ATOM 0 HH11 ARG A 90 1.535 -13.499 1.810 1.00 0.00 H new ATOM 0 HH12 ARG A 90 2.713 -14.805 1.638 1.00 0.00 H new ATOM 0 HH21 ARG A 90 1.388 -16.033 -1.300 1.00 0.00 H new ATOM 0 HH22 ARG A 90 2.633 -16.187 -0.057 1.00 0.00 H new ATOM 1482 N TYR A 91 0.573 -8.936 -3.402 1.00 0.00 N ATOM 1483 CA TYR A 91 1.703 -8.031 -3.227 1.00 0.00 C ATOM 1484 C TYR A 91 1.469 -6.711 -3.984 1.00 0.00 C ATOM 1485 O TYR A 91 1.059 -6.716 -5.149 1.00 0.00 O ATOM 1486 CB TYR A 91 2.982 -8.724 -3.710 1.00 0.00 C ATOM 1487 CG TYR A 91 3.351 -9.995 -2.966 1.00 0.00 C ATOM 1488 CD1 TYR A 91 2.960 -11.251 -3.469 1.00 0.00 C ATOM 1489 CD2 TYR A 91 4.093 -9.919 -1.772 1.00 0.00 C ATOM 1490 CE1 TYR A 91 3.323 -12.431 -2.794 1.00 0.00 C ATOM 1491 CE2 TYR A 91 4.442 -11.096 -1.082 1.00 0.00 C ATOM 1492 CZ TYR A 91 4.068 -12.356 -1.597 1.00 0.00 C ATOM 1493 OH TYR A 91 4.434 -13.491 -0.939 1.00 0.00 O ATOM 0 H TYR A 91 0.196 -8.920 -4.350 1.00 0.00 H new ATOM 0 HA TYR A 91 1.808 -7.785 -2.170 1.00 0.00 H new ATOM 0 HB2 TYR A 91 2.870 -8.961 -4.768 1.00 0.00 H new ATOM 0 HB3 TYR A 91 3.810 -8.020 -3.627 1.00 0.00 H new ATOM 0 HD1 TYR A 91 2.379 -11.309 -4.377 1.00 0.00 H new ATOM 0 HD2 TYR A 91 4.395 -8.957 -1.385 1.00 0.00 H new ATOM 0 HE1 TYR A 91 3.032 -13.392 -3.191 1.00 0.00 H new ATOM 0 HE2 TYR A 91 4.997 -11.035 -0.157 1.00 0.00 H new ATOM 0 HH TYR A 91 4.942 -13.254 -0.135 1.00 0.00 H new ATOM 1503 N PHE A 92 1.752 -5.585 -3.326 1.00 0.00 N ATOM 1504 CA PHE A 92 1.595 -4.225 -3.859 1.00 0.00 C ATOM 1505 C PHE A 92 2.819 -3.357 -3.567 1.00 0.00 C ATOM 1506 O PHE A 92 3.589 -3.650 -2.657 1.00 0.00 O ATOM 1507 CB PHE A 92 0.349 -3.564 -3.250 1.00 0.00 C ATOM 1508 CG PHE A 92 -0.941 -4.295 -3.545 1.00 0.00 C ATOM 1509 CD1 PHE A 92 -1.543 -4.173 -4.808 1.00 0.00 C ATOM 1510 CD2 PHE A 92 -1.530 -5.109 -2.564 1.00 0.00 C ATOM 1511 CE1 PHE A 92 -2.719 -4.885 -5.098 1.00 0.00 C ATOM 1512 CE2 PHE A 92 -2.722 -5.794 -2.843 1.00 0.00 C ATOM 1513 CZ PHE A 92 -3.306 -5.698 -4.118 1.00 0.00 C ATOM 0 H PHE A 92 2.110 -5.593 -2.371 1.00 0.00 H new ATOM 0 HA PHE A 92 1.485 -4.307 -4.940 1.00 0.00 H new ATOM 0 HB2 PHE A 92 0.477 -3.496 -2.170 1.00 0.00 H new ATOM 0 HB3 PHE A 92 0.271 -2.544 -3.626 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -1.102 -3.532 -5.557 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -1.065 -5.208 -1.594 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -3.171 -4.806 -6.076 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -3.191 -6.395 -2.078 1.00 0.00 H new ATOM 0 HZ PHE A 92 -4.207 -6.250 -4.343 1.00 0.00 H new ATOM 1523 N VAL A 93 2.973 -2.256 -4.298 1.00 0.00 N ATOM 1524 CA VAL A 93 3.914 -1.172 -3.983 1.00 0.00 C ATOM 1525 C VAL A 93 3.133 0.107 -3.729 1.00 0.00 C ATOM 1526 O VAL A 93 2.153 0.365 -4.424 1.00 0.00 O ATOM 1527 CB VAL A 93 4.959 -0.997 -5.101 1.00 0.00 C ATOM 1528 CG1 VAL A 93 5.809 0.272 -4.971 1.00 0.00 C ATOM 1529 CG2 VAL A 93 5.894 -2.204 -5.096 1.00 0.00 C ATOM 0 H VAL A 93 2.436 -2.084 -5.148 1.00 0.00 H new ATOM 0 HA VAL A 93 4.470 -1.426 -3.080 1.00 0.00 H new ATOM 0 HB VAL A 93 4.400 -0.910 -6.033 1.00 0.00 H new ATOM 0 HG11 VAL A 93 6.519 0.320 -5.796 1.00 0.00 H new ATOM 0 HG12 VAL A 93 5.161 1.148 -4.998 1.00 0.00 H new ATOM 0 HG13 VAL A 93 6.352 0.251 -4.026 1.00 0.00 H new ATOM 0 HG21 VAL A 93 6.638 -2.091 -5.884 1.00 0.00 H new ATOM 0 HG22 VAL A 93 6.395 -2.272 -4.130 1.00 0.00 H new ATOM 0 HG23 VAL A 93 5.317 -3.112 -5.270 1.00 0.00 H new ATOM 1539 N ILE A 94 3.567 0.923 -2.768 1.00 0.00 N ATOM 1540 CA ILE A 94 3.027 2.268 -2.547 1.00 0.00 C ATOM 1541 C ILE A 94 4.142 3.304 -2.364 1.00 0.00 C ATOM 1542 O ILE A 94 5.231 2.985 -1.880 1.00 0.00 O ATOM 1543 CB ILE A 94 1.988 2.333 -1.403 1.00 0.00 C ATOM 1544 CG1 ILE A 94 2.505 1.960 0.007 1.00 0.00 C ATOM 1545 CG2 ILE A 94 0.699 1.572 -1.742 1.00 0.00 C ATOM 1546 CD1 ILE A 94 2.621 0.462 0.332 1.00 0.00 C ATOM 0 H ILE A 94 4.309 0.669 -2.115 1.00 0.00 H new ATOM 0 HA ILE A 94 2.483 2.524 -3.456 1.00 0.00 H new ATOM 0 HB ILE A 94 1.761 3.397 -1.336 1.00 0.00 H new ATOM 0 HG12 ILE A 94 3.488 2.413 0.139 1.00 0.00 H new ATOM 0 HG13 ILE A 94 1.843 2.416 0.743 1.00 0.00 H new ATOM 0 HG21 ILE A 94 0.002 1.648 -0.908 1.00 0.00 H new ATOM 0 HG22 ILE A 94 0.245 2.004 -2.634 1.00 0.00 H new ATOM 0 HG23 ILE A 94 0.933 0.523 -1.925 1.00 0.00 H new ATOM 0 HD11 ILE A 94 2.994 0.338 1.349 1.00 0.00 H new ATOM 0 HD12 ILE A 94 1.640 -0.006 0.246 1.00 0.00 H new ATOM 0 HD13 ILE A 94 3.311 -0.010 -0.368 1.00 0.00 H new ATOM 1558 N ARG A 95 3.864 4.557 -2.750 1.00 0.00 N ATOM 1559 CA ARG A 95 4.793 5.691 -2.607 1.00 0.00 C ATOM 1560 C ARG A 95 4.497 6.448 -1.316 1.00 0.00 C ATOM 1561 O ARG A 95 3.684 7.374 -1.308 1.00 0.00 O ATOM 1562 CB ARG A 95 4.756 6.593 -3.854 1.00 0.00 C ATOM 1563 CG ARG A 95 6.014 7.467 -3.939 1.00 0.00 C ATOM 1564 CD ARG A 95 6.009 8.380 -5.173 1.00 0.00 C ATOM 1565 NE ARG A 95 5.133 9.561 -5.005 1.00 0.00 N ATOM 1566 CZ ARG A 95 5.064 10.599 -5.822 1.00 0.00 C ATOM 1567 NH1 ARG A 95 4.335 11.634 -5.522 1.00 0.00 N ATOM 1568 NH2 ARG A 95 5.721 10.641 -6.946 1.00 0.00 N ATOM 0 H ARG A 95 2.975 4.817 -3.177 1.00 0.00 H new ATOM 0 HA ARG A 95 5.814 5.316 -2.534 1.00 0.00 H new ATOM 0 HB2 ARG A 95 4.675 5.977 -4.750 1.00 0.00 H new ATOM 0 HB3 ARG A 95 3.870 7.227 -3.822 1.00 0.00 H new ATOM 0 HG2 ARG A 95 6.091 8.077 -3.039 1.00 0.00 H new ATOM 0 HG3 ARG A 95 6.896 6.828 -3.967 1.00 0.00 H new ATOM 0 HD2 ARG A 95 7.026 8.713 -5.378 1.00 0.00 H new ATOM 0 HD3 ARG A 95 5.680 7.809 -6.041 1.00 0.00 H new ATOM 0 HE ARG A 95 4.527 9.576 -4.184 1.00 0.00 H new ATOM 0 HH11 ARG A 95 3.809 11.651 -4.649 1.00 0.00 H new ATOM 0 HH12 ARG A 95 4.290 12.428 -6.160 1.00 0.00 H new ATOM 0 HH21 ARG A 95 6.313 9.857 -7.221 1.00 0.00 H new ATOM 0 HH22 ARG A 95 5.644 11.458 -7.552 1.00 0.00 H new ATOM 1582 N ILE A 96 5.134 6.049 -0.221 1.00 0.00 N ATOM 1583 CA ILE A 96 4.966 6.729 1.068 1.00 0.00 C ATOM 1584 C ILE A 96 5.641 8.107 1.048 1.00 0.00 C ATOM 1585 O ILE A 96 6.722 8.271 0.477 1.00 0.00 O ATOM 1586 CB ILE A 96 5.326 5.845 2.282 1.00 0.00 C ATOM 1587 CG1 ILE A 96 6.812 5.429 2.388 1.00 0.00 C ATOM 1588 CG2 ILE A 96 4.438 4.590 2.309 1.00 0.00 C ATOM 1589 CD1 ILE A 96 7.657 6.378 3.242 1.00 0.00 C ATOM 0 H ILE A 96 5.775 5.256 -0.195 1.00 0.00 H new ATOM 0 HA ILE A 96 3.902 6.916 1.211 1.00 0.00 H new ATOM 0 HB ILE A 96 5.140 6.480 3.149 1.00 0.00 H new ATOM 0 HG12 ILE A 96 6.870 4.426 2.810 1.00 0.00 H new ATOM 0 HG13 ILE A 96 7.238 5.379 1.386 1.00 0.00 H new ATOM 0 HG21 ILE A 96 4.702 3.976 3.170 1.00 0.00 H new ATOM 0 HG22 ILE A 96 3.392 4.886 2.382 1.00 0.00 H new ATOM 0 HG23 ILE A 96 4.590 4.017 1.394 1.00 0.00 H new ATOM 0 HD11 ILE A 96 8.687 6.022 3.270 1.00 0.00 H new ATOM 0 HD12 ILE A 96 7.630 7.378 2.809 1.00 0.00 H new ATOM 0 HD13 ILE A 96 7.256 6.410 4.255 1.00 0.00 H new ATOM 1601 N GLN A 97 4.958 9.113 1.598 1.00 0.00 N ATOM 1602 CA GLN A 97 5.275 10.539 1.462 1.00 0.00 C ATOM 1603 C GLN A 97 5.010 11.301 2.766 1.00 0.00 C ATOM 1604 O GLN A 97 4.033 11.059 3.478 1.00 0.00 O ATOM 1605 CB GLN A 97 4.447 11.166 0.324 1.00 0.00 C ATOM 1606 CG GLN A 97 4.920 10.757 -1.080 1.00 0.00 C ATOM 1607 CD GLN A 97 3.841 10.929 -2.141 1.00 0.00 C ATOM 1608 OE1 GLN A 97 3.677 11.971 -2.757 1.00 0.00 O ATOM 1609 NE2 GLN A 97 3.102 9.889 -2.455 1.00 0.00 N ATOM 0 H GLN A 97 4.133 8.951 2.176 1.00 0.00 H new ATOM 0 HA GLN A 97 6.337 10.617 1.228 1.00 0.00 H new ATOM 0 HB2 GLN A 97 3.403 10.878 0.445 1.00 0.00 H new ATOM 0 HB3 GLN A 97 4.490 12.252 0.411 1.00 0.00 H new ATOM 0 HG2 GLN A 97 5.790 11.354 -1.353 1.00 0.00 H new ATOM 0 HG3 GLN A 97 5.241 9.716 -1.061 1.00 0.00 H new ATOM 0 HE21 GLN A 97 3.222 9.009 -1.954 1.00 0.00 H new ATOM 0 HE22 GLN A 97 2.409 9.962 -3.200 1.00 0.00 H new ATOM 1682 N SER A 103 9.591 11.479 -0.747 1.00 0.00 N ATOM 1683 CA SER A 103 8.968 10.219 -1.151 1.00 0.00 C ATOM 1684 C SER A 103 9.897 8.998 -1.104 1.00 0.00 C ATOM 1685 O SER A 103 11.113 9.109 -1.285 1.00 0.00 O ATOM 1686 CB SER A 103 8.355 10.359 -2.553 1.00 0.00 C ATOM 1687 OG SER A 103 9.349 10.626 -3.531 1.00 0.00 O ATOM 0 HA SER A 103 8.193 10.026 -0.409 1.00 0.00 H new ATOM 0 HB2 SER A 103 7.825 9.443 -2.812 1.00 0.00 H new ATOM 0 HB3 SER A 103 7.620 11.163 -2.551 1.00 0.00 H new ATOM 0 HG SER A 103 10.080 11.136 -3.124 1.00 0.00 H new ATOM 1693 N ALA A 104 9.305 7.818 -0.895 1.00 0.00 N ATOM 1694 CA ALA A 104 9.941 6.510 -1.066 1.00 0.00 C ATOM 1695 C ALA A 104 8.930 5.460 -1.552 1.00 0.00 C ATOM 1696 O ALA A 104 7.790 5.426 -1.093 1.00 0.00 O ATOM 1697 CB ALA A 104 10.586 6.082 0.259 1.00 0.00 C ATOM 0 H ALA A 104 8.334 7.746 -0.591 1.00 0.00 H new ATOM 0 HA ALA A 104 10.714 6.590 -1.830 1.00 0.00 H new ATOM 0 HB1 ALA A 104 11.060 5.108 0.135 1.00 0.00 H new ATOM 0 HB2 ALA A 104 11.336 6.816 0.552 1.00 0.00 H new ATOM 0 HB3 ALA A 104 9.820 6.017 1.032 1.00 0.00 H new ATOM 1703 N PHE A 105 9.352 4.573 -2.456 1.00 0.00 N ATOM 1704 CA PHE A 105 8.573 3.396 -2.839 1.00 0.00 C ATOM 1705 C PHE A 105 8.877 2.226 -1.897 1.00 0.00 C ATOM 1706 O PHE A 105 10.038 1.831 -1.727 1.00 0.00 O ATOM 1707 CB PHE A 105 8.819 3.034 -4.308 1.00 0.00 C ATOM 1708 CG PHE A 105 8.133 3.954 -5.304 1.00 0.00 C ATOM 1709 CD1 PHE A 105 8.866 4.924 -6.015 1.00 0.00 C ATOM 1710 CD2 PHE A 105 6.754 3.812 -5.545 1.00 0.00 C ATOM 1711 CE1 PHE A 105 8.224 5.726 -6.978 1.00 0.00 C ATOM 1712 CE2 PHE A 105 6.115 4.595 -6.522 1.00 0.00 C ATOM 1713 CZ PHE A 105 6.852 5.554 -7.240 1.00 0.00 C ATOM 0 H PHE A 105 10.245 4.652 -2.943 1.00 0.00 H new ATOM 0 HA PHE A 105 7.512 3.628 -2.742 1.00 0.00 H new ATOM 0 HB2 PHE A 105 9.892 3.048 -4.498 1.00 0.00 H new ATOM 0 HB3 PHE A 105 8.478 2.013 -4.480 1.00 0.00 H new ATOM 0 HD1 PHE A 105 9.921 5.053 -5.822 1.00 0.00 H new ATOM 0 HD2 PHE A 105 6.182 3.095 -4.975 1.00 0.00 H new ATOM 0 HE1 PHE A 105 8.786 6.475 -7.517 1.00 0.00 H new ATOM 0 HE2 PHE A 105 5.062 4.461 -6.721 1.00 0.00 H new ATOM 0 HZ PHE A 105 6.365 6.158 -7.992 1.00 0.00 H new ATOM 1723 N ILE A 106 7.827 1.670 -1.295 1.00 0.00 N ATOM 1724 CA ILE A 106 7.878 0.477 -0.435 1.00 0.00 C ATOM 1725 C ILE A 106 6.958 -0.618 -0.983 1.00 0.00 C ATOM 1726 O ILE A 106 5.875 -0.323 -1.487 1.00 0.00 O ATOM 1727 CB ILE A 106 7.588 0.808 1.051 1.00 0.00 C ATOM 1728 CG1 ILE A 106 6.099 1.093 1.355 1.00 0.00 C ATOM 1729 CG2 ILE A 106 8.467 1.984 1.507 1.00 0.00 C ATOM 1730 CD1 ILE A 106 5.785 1.300 2.843 1.00 0.00 C ATOM 0 H ILE A 106 6.884 2.046 -1.392 1.00 0.00 H new ATOM 0 HA ILE A 106 8.898 0.093 -0.456 1.00 0.00 H new ATOM 0 HB ILE A 106 7.837 -0.089 1.619 1.00 0.00 H new ATOM 0 HG12 ILE A 106 5.792 1.982 0.804 1.00 0.00 H new ATOM 0 HG13 ILE A 106 5.499 0.263 0.981 1.00 0.00 H new ATOM 0 HG21 ILE A 106 8.258 2.211 2.552 1.00 0.00 H new ATOM 0 HG22 ILE A 106 9.518 1.717 1.397 1.00 0.00 H new ATOM 0 HG23 ILE A 106 8.250 2.859 0.895 1.00 0.00 H new ATOM 0 HD11 ILE A 106 4.720 1.494 2.966 1.00 0.00 H new ATOM 0 HD12 ILE A 106 6.057 0.404 3.400 1.00 0.00 H new ATOM 0 HD13 ILE A 106 6.355 2.149 3.220 1.00 0.00 H new ATOM 1742 N GLY A 107 7.379 -1.875 -0.875 1.00 0.00 N ATOM 1743 CA GLY A 107 6.563 -3.044 -1.201 1.00 0.00 C ATOM 1744 C GLY A 107 5.865 -3.576 0.047 1.00 0.00 C ATOM 1745 O GLY A 107 6.450 -3.557 1.131 1.00 0.00 O ATOM 0 H GLY A 107 8.316 -2.116 -0.552 1.00 0.00 H new ATOM 0 HA2 GLY A 107 5.821 -2.778 -1.954 1.00 0.00 H new ATOM 0 HA3 GLY A 107 7.191 -3.823 -1.633 1.00 0.00 H new ATOM 1749 N ILE A 108 4.633 -4.061 -0.098 1.00 0.00 N ATOM 1750 CA ILE A 108 3.875 -4.755 0.947 1.00 0.00 C ATOM 1751 C ILE A 108 3.310 -6.087 0.454 1.00 0.00 C ATOM 1752 O ILE A 108 2.852 -6.196 -0.685 1.00 0.00 O ATOM 1753 CB ILE A 108 2.773 -3.882 1.590 1.00 0.00 C ATOM 1754 CG1 ILE A 108 1.745 -3.313 0.585 1.00 0.00 C ATOM 1755 CG2 ILE A 108 3.419 -2.775 2.430 1.00 0.00 C ATOM 1756 CD1 ILE A 108 0.540 -2.632 1.259 1.00 0.00 C ATOM 0 H ILE A 108 4.116 -3.980 -0.974 1.00 0.00 H new ATOM 0 HA ILE A 108 4.596 -4.968 1.737 1.00 0.00 H new ATOM 0 HB ILE A 108 2.188 -4.537 2.235 1.00 0.00 H new ATOM 0 HG12 ILE A 108 2.243 -2.593 -0.064 1.00 0.00 H new ATOM 0 HG13 ILE A 108 1.386 -4.121 -0.052 1.00 0.00 H new ATOM 0 HG21 ILE A 108 2.641 -2.161 2.883 1.00 0.00 H new ATOM 0 HG22 ILE A 108 4.030 -3.223 3.214 1.00 0.00 H new ATOM 0 HG23 ILE A 108 4.047 -2.153 1.792 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -0.140 -2.256 0.495 1.00 0.00 H new ATOM 0 HD12 ILE A 108 0.018 -3.354 1.886 1.00 0.00 H new ATOM 0 HD13 ILE A 108 0.888 -1.802 1.874 1.00 0.00 H new ATOM 1768 N GLY A 109 3.329 -7.096 1.327 1.00 0.00 N ATOM 1769 CA GLY A 109 2.749 -8.421 1.091 1.00 0.00 C ATOM 1770 C GLY A 109 1.645 -8.780 2.086 1.00 0.00 C ATOM 1771 O GLY A 109 1.703 -8.409 3.262 1.00 0.00 O ATOM 0 H GLY A 109 3.762 -7.012 2.247 1.00 0.00 H new ATOM 0 HA2 GLY A 109 2.344 -8.459 0.080 1.00 0.00 H new ATOM 0 HA3 GLY A 109 3.538 -9.171 1.147 1.00 0.00 H new ATOM 1775 N PHE A 110 0.643 -9.510 1.595 1.00 0.00 N ATOM 1776 CA PHE A 110 -0.565 -9.917 2.322 1.00 0.00 C ATOM 1777 C PHE A 110 -0.554 -11.416 2.645 1.00 0.00 C ATOM 1778 O PHE A 110 0.157 -12.200 2.012 1.00 0.00 O ATOM 1779 CB PHE A 110 -1.802 -9.534 1.493 1.00 0.00 C ATOM 1780 CG PHE A 110 -2.147 -8.056 1.520 1.00 0.00 C ATOM 1781 CD1 PHE A 110 -3.332 -7.624 2.146 1.00 0.00 C ATOM 1782 CD2 PHE A 110 -1.285 -7.108 0.932 1.00 0.00 C ATOM 1783 CE1 PHE A 110 -3.651 -6.257 2.186 1.00 0.00 C ATOM 1784 CE2 PHE A 110 -1.583 -5.739 1.016 1.00 0.00 C ATOM 1785 CZ PHE A 110 -2.768 -5.313 1.631 1.00 0.00 C ATOM 0 H PHE A 110 0.650 -9.851 0.634 1.00 0.00 H new ATOM 0 HA PHE A 110 -0.595 -9.394 3.278 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -1.638 -9.837 0.459 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -2.658 -10.100 1.859 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -3.997 -8.346 2.596 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -0.394 -7.436 0.416 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -4.574 -5.931 2.643 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -0.898 -5.012 0.606 1.00 0.00 H new ATOM 0 HZ PHE A 110 -3.003 -4.260 1.679 1.00 0.00 H new ATOM 1795 N THR A 111 -1.379 -11.836 3.607 1.00 0.00 N ATOM 1796 CA THR A 111 -1.479 -13.241 4.045 1.00 0.00 C ATOM 1797 C THR A 111 -2.186 -14.138 3.019 1.00 0.00 C ATOM 1798 O THR A 111 -1.866 -15.322 2.898 1.00 0.00 O ATOM 1799 CB THR A 111 -2.151 -13.311 5.430 1.00 0.00 C ATOM 1800 OG1 THR A 111 -2.050 -14.613 5.966 1.00 0.00 O ATOM 1801 CG2 THR A 111 -3.632 -12.913 5.438 1.00 0.00 C ATOM 0 H THR A 111 -2.005 -11.209 4.112 1.00 0.00 H new ATOM 0 HA THR A 111 -0.466 -13.636 4.126 1.00 0.00 H new ATOM 0 HB THR A 111 -1.611 -12.583 6.036 1.00 0.00 H new ATOM 0 HG1 THR A 111 -2.480 -14.639 6.846 1.00 0.00 H new ATOM 0 HG21 THR A 111 -4.024 -12.991 6.452 1.00 0.00 H new ATOM 0 HG22 THR A 111 -3.735 -11.886 5.087 1.00 0.00 H new ATOM 0 HG23 THR A 111 -4.191 -13.579 4.780 1.00 0.00 H new ATOM 1809 N ASP A 112 -3.110 -13.574 2.230 1.00 0.00 N ATOM 1810 CA ASP A 112 -3.896 -14.295 1.225 1.00 0.00 C ATOM 1811 C ASP A 112 -4.397 -13.357 0.112 1.00 0.00 C ATOM 1812 O ASP A 112 -4.609 -12.161 0.336 1.00 0.00 O ATOM 1813 CB ASP A 112 -5.080 -14.998 1.911 1.00 0.00 C ATOM 1814 CG ASP A 112 -5.814 -15.948 0.952 1.00 0.00 C ATOM 1815 OD1 ASP A 112 -5.340 -17.089 0.749 1.00 0.00 O ATOM 1816 OD2 ASP A 112 -6.840 -15.533 0.364 1.00 0.00 O ATOM 0 H ASP A 112 -3.336 -12.580 2.275 1.00 0.00 H new ATOM 0 HA ASP A 112 -3.252 -15.038 0.754 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -4.719 -15.559 2.773 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -5.778 -14.250 2.287 1.00 0.00 H new ATOM 1821 N ARG A 113 -4.628 -13.903 -1.090 1.00 0.00 N ATOM 1822 CA ARG A 113 -5.147 -13.160 -2.250 1.00 0.00 C ATOM 1823 C ARG A 113 -6.538 -12.559 -2.009 1.00 0.00 C ATOM 1824 O ARG A 113 -6.796 -11.450 -2.468 1.00 0.00 O ATOM 1825 CB ARG A 113 -5.122 -14.093 -3.473 1.00 0.00 C ATOM 1826 CG ARG A 113 -5.394 -13.330 -4.775 1.00 0.00 C ATOM 1827 CD ARG A 113 -5.160 -14.232 -5.995 1.00 0.00 C ATOM 1828 NE ARG A 113 -5.202 -13.462 -7.253 1.00 0.00 N ATOM 1829 CZ ARG A 113 -6.181 -13.372 -8.133 1.00 0.00 C ATOM 1830 NH1 ARG A 113 -6.006 -12.626 -9.184 1.00 0.00 N ATOM 1831 NH2 ARG A 113 -7.318 -13.991 -7.996 1.00 0.00 N ATOM 0 H ARG A 113 -4.457 -14.889 -1.288 1.00 0.00 H new ATOM 0 HA ARG A 113 -4.503 -12.299 -2.430 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -4.151 -14.585 -3.536 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -5.869 -14.877 -3.348 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -6.421 -12.964 -4.779 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -4.744 -12.457 -4.833 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -4.193 -14.727 -5.903 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -5.918 -15.015 -6.021 1.00 0.00 H new ATOM 0 HE ARG A 113 -4.361 -12.927 -7.472 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -5.126 -12.126 -9.314 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -6.748 -12.541 -9.878 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -7.484 -14.579 -7.179 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -8.043 -13.888 -8.706 1.00 0.00 H new ATOM 1845 N GLY A 114 -7.404 -13.225 -1.245 1.00 0.00 N ATOM 1846 CA GLY A 114 -8.723 -12.701 -0.870 1.00 0.00 C ATOM 1847 C GLY A 114 -8.656 -11.488 0.067 1.00 0.00 C ATOM 1848 O GLY A 114 -9.505 -10.600 -0.009 1.00 0.00 O ATOM 0 H GLY A 114 -7.211 -14.151 -0.864 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -9.265 -12.422 -1.774 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -9.295 -13.492 -0.386 1.00 0.00 H new ATOM 1852 N ASP A 115 -7.612 -11.397 0.900 1.00 0.00 N ATOM 1853 CA ASP A 115 -7.366 -10.245 1.781 1.00 0.00 C ATOM 1854 C ASP A 115 -6.666 -9.097 1.038 1.00 0.00 C ATOM 1855 O ASP A 115 -6.960 -7.928 1.286 1.00 0.00 O ATOM 1856 CB ASP A 115 -6.565 -10.685 3.015 1.00 0.00 C ATOM 1857 CG ASP A 115 -7.448 -11.448 4.013 1.00 0.00 C ATOM 1858 OD1 ASP A 115 -8.290 -10.792 4.671 1.00 0.00 O ATOM 1859 OD2 ASP A 115 -7.306 -12.686 4.147 1.00 0.00 O ATOM 0 H ASP A 115 -6.906 -12.128 0.983 1.00 0.00 H new ATOM 0 HA ASP A 115 -8.331 -9.861 2.113 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -5.734 -11.318 2.704 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -6.135 -9.810 3.502 1.00 0.00 H new ATOM 1864 N ALA A 116 -5.800 -9.418 0.074 1.00 0.00 N ATOM 1865 CA ALA A 116 -5.220 -8.447 -0.851 1.00 0.00 C ATOM 1866 C ALA A 116 -6.257 -7.839 -1.811 1.00 0.00 C ATOM 1867 O ALA A 116 -6.175 -6.656 -2.142 1.00 0.00 O ATOM 1868 CB ALA A 116 -4.127 -9.161 -1.630 1.00 0.00 C ATOM 0 H ALA A 116 -5.479 -10.373 -0.086 1.00 0.00 H new ATOM 0 HA ALA A 116 -4.821 -7.609 -0.280 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -3.669 -8.466 -2.334 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -3.369 -9.530 -0.939 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -4.558 -9.999 -2.177 1.00 0.00 H new ATOM 1874 N PHE A 117 -7.271 -8.608 -2.215 1.00 0.00 N ATOM 1875 CA PHE A 117 -8.389 -8.076 -2.999 1.00 0.00 C ATOM 1876 C PHE A 117 -9.158 -6.978 -2.249 1.00 0.00 C ATOM 1877 O PHE A 117 -9.566 -6.000 -2.874 1.00 0.00 O ATOM 1878 CB PHE A 117 -9.304 -9.213 -3.484 1.00 0.00 C ATOM 1879 CG PHE A 117 -9.038 -9.628 -4.924 1.00 0.00 C ATOM 1880 CD1 PHE A 117 -10.080 -9.593 -5.871 1.00 0.00 C ATOM 1881 CD2 PHE A 117 -7.743 -10.006 -5.333 1.00 0.00 C ATOM 1882 CE1 PHE A 117 -9.830 -9.932 -7.214 1.00 0.00 C ATOM 1883 CE2 PHE A 117 -7.492 -10.338 -6.676 1.00 0.00 C ATOM 1884 CZ PHE A 117 -8.535 -10.302 -7.616 1.00 0.00 C ATOM 0 H PHE A 117 -7.341 -9.605 -2.011 1.00 0.00 H new ATOM 0 HA PHE A 117 -7.974 -7.592 -3.883 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -9.173 -10.078 -2.834 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -10.343 -8.899 -3.390 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -11.075 -9.305 -5.565 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -6.940 -10.041 -4.612 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -10.633 -9.908 -7.936 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -6.497 -10.621 -6.985 1.00 0.00 H new ATOM 0 HZ PHE A 117 -8.342 -10.559 -8.647 1.00 0.00 H new ATOM 1894 N ASP A 118 -9.286 -7.053 -0.918 1.00 0.00 N ATOM 1895 CA ASP A 118 -9.911 -5.976 -0.136 1.00 0.00 C ATOM 1896 C ASP A 118 -9.105 -4.663 -0.186 1.00 0.00 C ATOM 1897 O ASP A 118 -9.712 -3.594 -0.222 1.00 0.00 O ATOM 1898 CB ASP A 118 -10.157 -6.415 1.318 1.00 0.00 C ATOM 1899 CG ASP A 118 -11.270 -7.466 1.466 1.00 0.00 C ATOM 1900 OD1 ASP A 118 -12.308 -7.383 0.766 1.00 0.00 O ATOM 1901 OD2 ASP A 118 -11.130 -8.345 2.349 1.00 0.00 O ATOM 0 H ASP A 118 -8.966 -7.845 -0.361 1.00 0.00 H new ATOM 0 HA ASP A 118 -10.875 -5.773 -0.602 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -9.231 -6.819 1.728 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -10.414 -5.539 1.914 1.00 0.00 H new ATOM 1906 N PHE A 119 -7.769 -4.718 -0.279 1.00 0.00 N ATOM 1907 CA PHE A 119 -6.918 -3.537 -0.482 1.00 0.00 C ATOM 1908 C PHE A 119 -7.246 -2.823 -1.805 1.00 0.00 C ATOM 1909 O PHE A 119 -7.597 -1.640 -1.797 1.00 0.00 O ATOM 1910 CB PHE A 119 -5.435 -3.934 -0.362 1.00 0.00 C ATOM 1911 CG PHE A 119 -4.432 -2.869 -0.762 1.00 0.00 C ATOM 1912 CD1 PHE A 119 -3.859 -2.034 0.211 1.00 0.00 C ATOM 1913 CD2 PHE A 119 -4.040 -2.730 -2.108 1.00 0.00 C ATOM 1914 CE1 PHE A 119 -2.942 -1.039 -0.158 1.00 0.00 C ATOM 1915 CE2 PHE A 119 -3.115 -1.739 -2.478 1.00 0.00 C ATOM 1916 CZ PHE A 119 -2.567 -0.888 -1.504 1.00 0.00 C ATOM 0 H PHE A 119 -7.244 -5.590 -0.215 1.00 0.00 H new ATOM 0 HA PHE A 119 -7.126 -2.809 0.302 1.00 0.00 H new ATOM 0 HB2 PHE A 119 -5.238 -4.222 0.671 1.00 0.00 H new ATOM 0 HB3 PHE A 119 -5.264 -4.817 -0.978 1.00 0.00 H new ATOM 0 HD1 PHE A 119 -4.126 -2.159 1.250 1.00 0.00 H new ATOM 0 HD2 PHE A 119 -4.452 -3.388 -2.859 1.00 0.00 H new ATOM 0 HE1 PHE A 119 -2.523 -0.387 0.594 1.00 0.00 H new ATOM 0 HE2 PHE A 119 -2.825 -1.631 -3.513 1.00 0.00 H new ATOM 0 HZ PHE A 119 -1.861 -0.122 -1.788 1.00 0.00 H new ATOM 1926 N ASN A 120 -7.196 -3.531 -2.941 1.00 0.00 N ATOM 1927 CA ASN A 120 -7.409 -2.897 -4.250 1.00 0.00 C ATOM 1928 C ASN A 120 -8.882 -2.577 -4.559 1.00 0.00 C ATOM 1929 O ASN A 120 -9.153 -1.642 -5.319 1.00 0.00 O ATOM 1930 CB ASN A 120 -6.724 -3.707 -5.369 1.00 0.00 C ATOM 1931 CG ASN A 120 -7.261 -5.111 -5.603 1.00 0.00 C ATOM 1932 OD1 ASN A 120 -6.621 -6.100 -5.294 1.00 0.00 O ATOM 1933 ND2 ASN A 120 -8.424 -5.263 -6.197 1.00 0.00 N ATOM 0 H ASN A 120 -7.012 -4.533 -2.981 1.00 0.00 H new ATOM 0 HA ASN A 120 -6.928 -1.920 -4.203 1.00 0.00 H new ATOM 0 HB2 ASN A 120 -6.810 -3.147 -6.300 1.00 0.00 H new ATOM 0 HB3 ASN A 120 -5.661 -3.780 -5.138 1.00 0.00 H new ATOM 0 HD21 ASN A 120 -8.778 -6.199 -6.393 1.00 0.00 H new ATOM 0 HD22 ASN A 120 -8.972 -4.445 -6.462 1.00 0.00 H new ATOM 1940 N VAL A 121 -9.844 -3.309 -3.988 1.00 0.00 N ATOM 1941 CA VAL A 121 -11.280 -3.012 -4.145 1.00 0.00 C ATOM 1942 C VAL A 121 -11.682 -1.795 -3.308 1.00 0.00 C ATOM 1943 O VAL A 121 -12.367 -0.911 -3.822 1.00 0.00 O ATOM 1944 CB VAL A 121 -12.150 -4.245 -3.828 1.00 0.00 C ATOM 1945 CG1 VAL A 121 -13.649 -3.921 -3.745 1.00 0.00 C ATOM 1946 CG2 VAL A 121 -11.987 -5.310 -4.923 1.00 0.00 C ATOM 0 H VAL A 121 -9.654 -4.124 -3.404 1.00 0.00 H new ATOM 0 HA VAL A 121 -11.459 -2.761 -5.191 1.00 0.00 H new ATOM 0 HB VAL A 121 -11.807 -4.601 -2.857 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -14.206 -4.830 -3.519 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -13.819 -3.186 -2.958 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -13.987 -3.516 -4.699 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -12.607 -6.174 -4.685 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -12.295 -4.895 -5.883 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -10.943 -5.617 -4.979 1.00 0.00 H new ATOM 1956 N SER A 122 -11.217 -1.686 -2.059 1.00 0.00 N ATOM 1957 CA SER A 122 -11.573 -0.553 -1.185 1.00 0.00 C ATOM 1958 C SER A 122 -11.011 0.783 -1.684 1.00 0.00 C ATOM 1959 O SER A 122 -11.618 1.827 -1.446 1.00 0.00 O ATOM 1960 CB SER A 122 -11.109 -0.793 0.254 1.00 0.00 C ATOM 1961 OG SER A 122 -11.660 -1.992 0.761 1.00 0.00 O ATOM 0 H SER A 122 -10.593 -2.367 -1.626 1.00 0.00 H new ATOM 0 HA SER A 122 -12.661 -0.489 -1.211 1.00 0.00 H new ATOM 0 HB2 SER A 122 -10.021 -0.844 0.287 1.00 0.00 H new ATOM 0 HB3 SER A 122 -11.408 0.046 0.883 1.00 0.00 H new ATOM 0 HG SER A 122 -11.080 -2.745 0.523 1.00 0.00 H new ATOM 1967 N LEU A 123 -9.893 0.759 -2.421 1.00 0.00 N ATOM 1968 CA LEU A 123 -9.368 1.924 -3.137 1.00 0.00 C ATOM 1969 C LEU A 123 -10.209 2.245 -4.383 1.00 0.00 C ATOM 1970 O LEU A 123 -10.763 3.342 -4.474 1.00 0.00 O ATOM 1971 CB LEU A 123 -7.880 1.701 -3.477 1.00 0.00 C ATOM 1972 CG LEU A 123 -6.949 1.781 -2.251 1.00 0.00 C ATOM 1973 CD1 LEU A 123 -5.554 1.265 -2.598 1.00 0.00 C ATOM 1974 CD2 LEU A 123 -6.801 3.219 -1.743 1.00 0.00 C ATOM 0 H LEU A 123 -9.323 -0.079 -2.537 1.00 0.00 H new ATOM 0 HA LEU A 123 -9.439 2.798 -2.489 1.00 0.00 H new ATOM 0 HB2 LEU A 123 -7.766 0.724 -3.947 1.00 0.00 H new ATOM 0 HB3 LEU A 123 -7.568 2.445 -4.209 1.00 0.00 H new ATOM 0 HG LEU A 123 -7.405 1.165 -1.476 1.00 0.00 H new ATOM 0 HD11 LEU A 123 -4.913 1.330 -1.719 1.00 0.00 H new ATOM 0 HD12 LEU A 123 -5.620 0.227 -2.922 1.00 0.00 H new ATOM 0 HD13 LEU A 123 -5.132 1.870 -3.401 1.00 0.00 H new ATOM 0 HD21 LEU A 123 -6.137 3.233 -0.878 1.00 0.00 H new ATOM 0 HD22 LEU A 123 -6.382 3.842 -2.533 1.00 0.00 H new ATOM 0 HD23 LEU A 123 -7.779 3.606 -1.456 1.00 0.00 H new ATOM 1986 N GLN A 124 -10.367 1.304 -5.322 1.00 0.00 N ATOM 1987 CA GLN A 124 -11.042 1.591 -6.600 1.00 0.00 C ATOM 1988 C GLN A 124 -12.527 1.963 -6.436 1.00 0.00 C ATOM 1989 O GLN A 124 -13.035 2.815 -7.165 1.00 0.00 O ATOM 1990 CB GLN A 124 -10.832 0.431 -7.590 1.00 0.00 C ATOM 1991 CG GLN A 124 -11.775 -0.763 -7.409 1.00 0.00 C ATOM 1992 CD GLN A 124 -11.317 -1.967 -8.226 1.00 0.00 C ATOM 1993 OE1 GLN A 124 -11.935 -2.373 -9.201 1.00 0.00 O ATOM 1994 NE2 GLN A 124 -10.203 -2.573 -7.869 1.00 0.00 N ATOM 0 H GLN A 124 -10.040 0.343 -5.225 1.00 0.00 H new ATOM 0 HA GLN A 124 -10.575 2.483 -7.017 1.00 0.00 H new ATOM 0 HB2 GLN A 124 -10.949 0.815 -8.604 1.00 0.00 H new ATOM 0 HB3 GLN A 124 -9.805 0.079 -7.499 1.00 0.00 H new ATOM 0 HG2 GLN A 124 -11.822 -1.034 -6.354 1.00 0.00 H new ATOM 0 HG3 GLN A 124 -12.784 -0.480 -7.710 1.00 0.00 H new ATOM 0 HE21 GLN A 124 -9.680 -2.243 -7.058 1.00 0.00 H new ATOM 0 HE22 GLN A 124 -9.863 -3.372 -8.404 1.00 0.00 H new ATOM 2003 N ASP A 125 -13.214 1.402 -5.437 1.00 0.00 N ATOM 2004 CA ASP A 125 -14.624 1.685 -5.150 1.00 0.00 C ATOM 2005 C ASP A 125 -14.816 2.996 -4.361 1.00 0.00 C ATOM 2006 O ASP A 125 -15.945 3.455 -4.182 1.00 0.00 O ATOM 2007 CB ASP A 125 -15.257 0.477 -4.442 1.00 0.00 C ATOM 2008 CG ASP A 125 -16.787 0.591 -4.322 1.00 0.00 C ATOM 2009 OD1 ASP A 125 -17.458 0.864 -5.348 1.00 0.00 O ATOM 2010 OD2 ASP A 125 -17.328 0.381 -3.211 1.00 0.00 O ATOM 0 H ASP A 125 -12.800 0.727 -4.794 1.00 0.00 H new ATOM 0 HA ASP A 125 -15.142 1.842 -6.096 1.00 0.00 H new ATOM 0 HB2 ASP A 125 -15.007 -0.432 -4.990 1.00 0.00 H new ATOM 0 HB3 ASP A 125 -14.825 0.378 -3.446 1.00 0.00 H new ATOM 2015 N HIS A 126 -13.722 3.648 -3.940 1.00 0.00 N ATOM 2016 CA HIS A 126 -13.749 5.035 -3.463 1.00 0.00 C ATOM 2017 C HIS A 126 -13.411 6.060 -4.559 1.00 0.00 C ATOM 2018 O HIS A 126 -13.727 7.239 -4.406 1.00 0.00 O ATOM 2019 CB HIS A 126 -12.871 5.186 -2.210 1.00 0.00 C ATOM 2020 CG HIS A 126 -13.301 6.352 -1.351 1.00 0.00 C ATOM 2021 ND1 HIS A 126 -12.639 7.576 -1.220 1.00 0.00 N ATOM 2022 CD2 HIS A 126 -14.450 6.393 -0.613 1.00 0.00 C ATOM 2023 CE1 HIS A 126 -13.414 8.327 -0.416 1.00 0.00 C ATOM 2024 NE2 HIS A 126 -14.501 7.639 -0.030 1.00 0.00 N ATOM 0 H HIS A 126 -12.793 3.226 -3.921 1.00 0.00 H new ATOM 0 HA HIS A 126 -14.776 5.265 -3.180 1.00 0.00 H new ATOM 0 HB2 HIS A 126 -12.916 4.268 -1.624 1.00 0.00 H new ATOM 0 HB3 HIS A 126 -11.832 5.321 -2.510 1.00 0.00 H new ATOM 0 HD2 HIS A 126 -15.177 5.601 -0.507 1.00 0.00 H new ATOM 0 HE1 HIS A 126 -13.193 9.342 -0.122 1.00 0.00 H new ATOM 0 HE2 HIS A 126 -15.237 7.981 0.588 1.00 0.00 H new ATOM 2032 N PHE A 127 -12.844 5.618 -5.691 1.00 0.00 N ATOM 2033 CA PHE A 127 -12.467 6.465 -6.833 1.00 0.00 C ATOM 2034 C PHE A 127 -13.328 6.316 -8.096 1.00 0.00 C ATOM 2035 O PHE A 127 -13.159 7.123 -9.008 1.00 0.00 O ATOM 2036 CB PHE A 127 -10.983 6.246 -7.162 1.00 0.00 C ATOM 2037 CG PHE A 127 -10.031 6.912 -6.192 1.00 0.00 C ATOM 2038 CD1 PHE A 127 -9.183 6.137 -5.384 1.00 0.00 C ATOM 2039 CD2 PHE A 127 -9.964 8.317 -6.126 1.00 0.00 C ATOM 2040 CE1 PHE A 127 -8.245 6.757 -4.544 1.00 0.00 C ATOM 2041 CE2 PHE A 127 -9.036 8.939 -5.275 1.00 0.00 C ATOM 2042 CZ PHE A 127 -8.169 8.159 -4.492 1.00 0.00 C ATOM 0 H PHE A 127 -12.629 4.633 -5.842 1.00 0.00 H new ATOM 0 HA PHE A 127 -12.654 7.488 -6.507 1.00 0.00 H new ATOM 0 HB2 PHE A 127 -10.779 5.175 -7.177 1.00 0.00 H new ATOM 0 HB3 PHE A 127 -10.785 6.623 -8.166 1.00 0.00 H new ATOM 0 HD1 PHE A 127 -9.253 5.060 -5.409 1.00 0.00 H new ATOM 0 HD2 PHE A 127 -10.627 8.917 -6.731 1.00 0.00 H new ATOM 0 HE1 PHE A 127 -7.582 6.157 -3.938 1.00 0.00 H new ATOM 0 HE2 PHE A 127 -8.989 10.017 -5.223 1.00 0.00 H new ATOM 0 HZ PHE A 127 -7.444 8.637 -3.850 1.00 0.00 H new ATOM 2052 N LYS A 128 -14.271 5.362 -8.188 1.00 0.00 N ATOM 2053 CA LYS A 128 -15.059 5.125 -9.425 1.00 0.00 C ATOM 2054 C LYS A 128 -15.842 6.337 -9.963 1.00 0.00 C ATOM 2055 O LYS A 128 -16.134 6.404 -11.154 1.00 0.00 O ATOM 2056 CB LYS A 128 -15.949 3.871 -9.315 1.00 0.00 C ATOM 2057 CG LYS A 128 -17.281 4.032 -8.561 1.00 0.00 C ATOM 2058 CD LYS A 128 -17.090 4.189 -7.052 1.00 0.00 C ATOM 2059 CE LYS A 128 -18.416 4.250 -6.292 1.00 0.00 C ATOM 2060 NZ LYS A 128 -19.097 2.930 -6.243 1.00 0.00 N ATOM 0 H LYS A 128 -14.512 4.736 -7.420 1.00 0.00 H new ATOM 0 HA LYS A 128 -14.299 4.943 -10.184 1.00 0.00 H new ATOM 0 HB2 LYS A 128 -16.169 3.521 -10.323 1.00 0.00 H new ATOM 0 HB3 LYS A 128 -15.373 3.087 -8.824 1.00 0.00 H new ATOM 0 HG2 LYS A 128 -17.810 4.903 -8.949 1.00 0.00 H new ATOM 0 HG3 LYS A 128 -17.911 3.164 -8.755 1.00 0.00 H new ATOM 0 HD2 LYS A 128 -16.499 3.354 -6.676 1.00 0.00 H new ATOM 0 HD3 LYS A 128 -16.521 5.097 -6.855 1.00 0.00 H new ATOM 0 HE2 LYS A 128 -18.235 4.601 -5.276 1.00 0.00 H new ATOM 0 HE3 LYS A 128 -19.073 4.978 -6.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 -19.833 2.946 -5.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 -19.533 2.730 -7.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 -18.402 2.189 -6.021 1.00 0.00 H new