USER MOD reduce.3.24.130724 H: found=0, std=0, add=862, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 864 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 92 LYS NZ :NH3+ -171:sc= 0.0682 (180deg=0) USER MOD Set 1.2: A 122 TYR OH : rot 164:sc= 0.0633 USER MOD Set 2.1: A 69 ASN : amide:sc= -1.48 K(o=-1.9,f=-0.35) USER MOD Set 2.2: A 77 GLN : amide:sc= -0.444 X(o=-1.9,f=-1.8) USER MOD Set 3.1: A 36 HIS : no HD1:sc= -0.7 K(o=-4.7,f=-11!) USER MOD Set 3.2: A 55 GLN : amide:sc= -3.99 X(o=-4.7,f=-4.2!) USER MOD Set 4.1: A 20 LYS NZ :NH3+ -125:sc= -0.0382 (180deg=-2.61!) USER MOD Set 4.2: A 44 GLN : amide:sc= -4.08! C(o=-4.1!,f=-3.3!) USER MOD Single : A 19 GLN : amide:sc= -0.306 K(o=-0.31,f=-2!) USER MOD Single : A 23 TYR OH : rot 180:sc= -0.0384 USER MOD Single : A 24 THR OG1 : rot 58:sc= 0.914 USER MOD Single : A 28 ASN : amide:sc= -2.06 K(o=-2.1,f=-8.6!) USER MOD Single : A 29 HIS : no HD1:sc= -0.674 K(o=-0.67,f=-1.8!) USER MOD Single : A 30 TYR OH : rot 180:sc= -0.101 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 48 THR OG1 : rot -98:sc= 1.12 USER MOD Single : A 58 GLN : amide:sc= -0.285 K(o=-0.28,f=-0.79) USER MOD Single : A 62 ASN : amide:sc= -0.263 X(o=-0.26,f=-0.34) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 CYS SG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= -1.99 K(o=-2,f=-0.042) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 ASN : amide:sc= -1.37 K(o=-1.4,f=-7.3!) USER MOD Single : A 85 CYS SG : rot 150:sc= -0.218 USER MOD Single : A 87 ASN : amide:sc= -0.0261 X(o=-0.026,f=-0.11) USER MOD Single : A 100 SER OG : rot 16:sc= 0.27 USER MOD Single : A 106 ASN : amide:sc= 0 X(o=0,f=-0.068) USER MOD Single : A 108 ASN : amide:sc= -0.31 X(o=-0.31,f=-0.13) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 SER OG : rot -77:sc= 0.634 USER MOD Single : A 120 SER OG : rot -95:sc= 0.0256 USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 GLN : amide:sc=-0.00144 K(o=-0.0014,f=-1) USER MOD ----------------------------------------------------------------- ATOM 201 N GLY A 15 2.165 16.659 -5.853 1.00 0.00 N ATOM 202 CA GLY A 15 1.490 17.053 -4.630 1.00 0.00 C ATOM 203 C GLY A 15 0.859 15.878 -3.912 1.00 0.00 C ATOM 204 O GLY A 15 0.627 14.826 -4.510 1.00 0.00 O ATOM 0 HA2 GLY A 15 2.204 17.540 -3.966 1.00 0.00 H new ATOM 0 HA3 GLY A 15 0.720 17.788 -4.864 1.00 0.00 H new ATOM 208 N LEU A 16 0.580 16.054 -2.625 1.00 0.00 N ATOM 209 CA LEU A 16 -0.028 14.998 -1.822 1.00 0.00 C ATOM 210 C LEU A 16 -1.022 14.190 -2.649 1.00 0.00 C ATOM 211 O LEU A 16 -0.965 12.961 -2.678 1.00 0.00 O ATOM 212 CB LEU A 16 -0.729 15.597 -0.602 1.00 0.00 C ATOM 213 CG LEU A 16 0.184 16.106 0.514 1.00 0.00 C ATOM 214 CD1 LEU A 16 -0.624 16.854 1.564 1.00 0.00 C ATOM 215 CD2 LEU A 16 0.946 14.952 1.148 1.00 0.00 C ATOM 0 H LEU A 16 0.765 16.918 -2.115 1.00 0.00 H new ATOM 0 HA LEU A 16 0.764 14.329 -1.485 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.355 16.424 -0.937 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.395 14.842 -0.184 1.00 0.00 H new ATOM 0 HG LEU A 16 0.907 16.797 0.080 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.042 17.209 2.351 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.124 17.704 1.101 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.369 16.185 1.994 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.591 15.333 1.940 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.239 14.236 1.568 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.555 14.458 0.391 1.00 0.00 H new ATOM 227 N GLU A 17 -1.932 14.889 -3.320 1.00 0.00 N ATOM 228 CA GLU A 17 -2.938 14.235 -4.149 1.00 0.00 C ATOM 229 C GLU A 17 -2.285 13.471 -5.297 1.00 0.00 C ATOM 230 O GLU A 17 -2.674 12.345 -5.608 1.00 0.00 O ATOM 231 CB GLU A 17 -3.923 15.267 -4.703 1.00 0.00 C ATOM 232 CG GLU A 17 -4.872 15.826 -3.656 1.00 0.00 C ATOM 233 CD GLU A 17 -6.112 14.971 -3.476 1.00 0.00 C ATOM 234 OE1 GLU A 17 -6.962 14.958 -4.391 1.00 0.00 O ATOM 235 OE2 GLU A 17 -6.232 14.316 -2.420 1.00 0.00 O ATOM 0 H GLU A 17 -1.993 15.907 -3.306 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.480 13.524 -3.525 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -3.363 16.089 -5.149 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -4.506 14.808 -5.502 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -4.349 15.906 -2.703 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -5.169 16.835 -3.942 1.00 0.00 H new ATOM 242 N ASP A 18 -1.292 14.092 -5.923 1.00 0.00 N ATOM 243 CA ASP A 18 -0.584 13.472 -7.037 1.00 0.00 C ATOM 244 C ASP A 18 0.092 12.177 -6.598 1.00 0.00 C ATOM 245 O ASP A 18 0.115 11.196 -7.340 1.00 0.00 O ATOM 246 CB ASP A 18 0.457 14.436 -7.608 1.00 0.00 C ATOM 247 CG ASP A 18 -0.148 15.438 -8.572 1.00 0.00 C ATOM 248 OD1 ASP A 18 -0.534 15.029 -9.686 1.00 0.00 O ATOM 249 OD2 ASP A 18 -0.235 16.631 -8.212 1.00 0.00 O ATOM 0 H ASP A 18 -0.959 15.024 -5.678 1.00 0.00 H new ATOM 0 HA ASP A 18 -1.313 13.236 -7.812 1.00 0.00 H new ATOM 0 HB2 ASP A 18 0.941 14.970 -6.790 1.00 0.00 H new ATOM 0 HB3 ASP A 18 1.233 13.867 -8.120 1.00 0.00 H new ATOM 254 N GLN A 19 0.640 12.182 -5.387 1.00 0.00 N ATOM 255 CA GLN A 19 1.317 11.008 -4.850 1.00 0.00 C ATOM 256 C GLN A 19 0.381 9.804 -4.824 1.00 0.00 C ATOM 257 O GLN A 19 0.759 8.701 -5.220 1.00 0.00 O ATOM 258 CB GLN A 19 1.839 11.294 -3.441 1.00 0.00 C ATOM 259 CG GLN A 19 2.637 12.584 -3.338 1.00 0.00 C ATOM 260 CD GLN A 19 3.443 12.670 -2.057 1.00 0.00 C ATOM 261 OE1 GLN A 19 2.996 12.230 -0.997 1.00 0.00 O ATOM 262 NE2 GLN A 19 4.639 13.240 -2.147 1.00 0.00 N ATOM 0 H GLN A 19 0.628 12.986 -4.759 1.00 0.00 H new ATOM 0 HA GLN A 19 2.159 10.776 -5.502 1.00 0.00 H new ATOM 0 HB2 GLN A 19 0.995 11.343 -2.753 1.00 0.00 H new ATOM 0 HB3 GLN A 19 2.466 10.462 -3.119 1.00 0.00 H new ATOM 0 HG2 GLN A 19 3.310 12.660 -4.192 1.00 0.00 H new ATOM 0 HG3 GLN A 19 1.956 13.433 -3.392 1.00 0.00 H new ATOM 0 HE21 GLN A 19 4.970 13.591 -3.046 1.00 0.00 H new ATOM 0 HE22 GLN A 19 5.226 13.327 -1.318 1.00 0.00 H new ATOM 271 N LYS A 20 -0.842 10.023 -4.354 1.00 0.00 N ATOM 272 CA LYS A 20 -1.834 8.957 -4.276 1.00 0.00 C ATOM 273 C LYS A 20 -1.810 8.098 -5.536 1.00 0.00 C ATOM 274 O LYS A 20 -1.777 6.869 -5.460 1.00 0.00 O ATOM 275 CB LYS A 20 -3.232 9.547 -4.075 1.00 0.00 C ATOM 276 CG LYS A 20 -4.353 8.551 -4.317 1.00 0.00 C ATOM 277 CD LYS A 20 -5.718 9.194 -4.142 1.00 0.00 C ATOM 278 CE LYS A 20 -6.823 8.150 -4.084 1.00 0.00 C ATOM 279 NZ LYS A 20 -8.173 8.764 -4.223 1.00 0.00 N ATOM 0 H LYS A 20 -1.170 10.930 -4.021 1.00 0.00 H new ATOM 0 HA LYS A 20 -1.586 8.326 -3.422 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -3.312 9.932 -3.058 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -3.359 10.395 -4.748 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -4.268 8.144 -5.325 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -4.253 7.714 -3.626 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -5.728 9.787 -3.227 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -5.907 9.880 -4.968 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -6.673 7.418 -4.878 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -6.765 7.611 -3.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -8.765 8.487 -3.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -8.082 9.800 -4.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -8.615 8.434 -5.105 1.00 0.00 H new ATOM 293 N ARG A 21 -1.825 8.752 -6.693 1.00 0.00 N ATOM 294 CA ARG A 21 -1.804 8.047 -7.969 1.00 0.00 C ATOM 295 C ARG A 21 -0.522 7.233 -8.120 1.00 0.00 C ATOM 296 O ARG A 21 -0.567 6.029 -8.373 1.00 0.00 O ATOM 297 CB ARG A 21 -1.930 9.040 -9.126 1.00 0.00 C ATOM 298 CG ARG A 21 -2.499 8.427 -10.395 1.00 0.00 C ATOM 299 CD ARG A 21 -3.993 8.171 -10.269 1.00 0.00 C ATOM 300 NE ARG A 21 -4.783 9.322 -10.698 1.00 0.00 N ATOM 301 CZ ARG A 21 -5.182 10.286 -9.876 1.00 0.00 C ATOM 302 NH1 ARG A 21 -4.866 10.240 -8.590 1.00 0.00 N ATOM 303 NH2 ARG A 21 -5.899 11.301 -10.342 1.00 0.00 N ATOM 0 H ARG A 21 -1.852 9.769 -6.773 1.00 0.00 H new ATOM 0 HA ARG A 21 -2.652 7.363 -7.992 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -2.567 9.868 -8.815 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -0.947 9.458 -9.344 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -2.313 9.093 -11.237 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -1.985 7.490 -10.610 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -4.264 7.302 -10.868 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -4.234 7.932 -9.233 1.00 0.00 H new ATOM 0 HE ARG A 21 -5.042 9.389 -11.682 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -4.314 9.462 -8.228 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -5.174 10.982 -7.962 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -6.144 11.341 -11.331 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -6.205 12.041 -9.711 1.00 0.00 H new ATOM 317 N ILE A 22 0.617 7.898 -7.963 1.00 0.00 N ATOM 318 CA ILE A 22 1.910 7.237 -8.081 1.00 0.00 C ATOM 319 C ILE A 22 1.893 5.871 -7.402 1.00 0.00 C ATOM 320 O ILE A 22 2.249 4.860 -8.008 1.00 0.00 O ATOM 321 CB ILE A 22 3.037 8.089 -7.467 1.00 0.00 C ATOM 322 CG1 ILE A 22 3.134 9.437 -8.183 1.00 0.00 C ATOM 323 CG2 ILE A 22 4.363 7.346 -7.541 1.00 0.00 C ATOM 324 CD1 ILE A 22 4.112 10.394 -7.538 1.00 0.00 C ATOM 0 H ILE A 22 0.671 8.895 -7.754 1.00 0.00 H new ATOM 0 HA ILE A 22 2.102 7.109 -9.146 1.00 0.00 H new ATOM 0 HB ILE A 22 2.804 8.272 -6.418 1.00 0.00 H new ATOM 0 HG12 ILE A 22 3.431 9.269 -9.218 1.00 0.00 H new ATOM 0 HG13 ILE A 22 2.147 9.899 -8.206 1.00 0.00 H new ATOM 0 HG21 ILE A 22 5.149 7.961 -7.103 1.00 0.00 H new ATOM 0 HG22 ILE A 22 4.286 6.409 -6.990 1.00 0.00 H new ATOM 0 HG23 ILE A 22 4.605 7.136 -8.583 1.00 0.00 H new ATOM 0 HD11 ILE A 22 4.129 11.329 -8.098 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.804 10.592 -6.511 1.00 0.00 H new ATOM 0 HD13 ILE A 22 5.108 9.952 -7.539 1.00 0.00 H new ATOM 336 N TYR A 23 1.475 5.849 -6.142 1.00 0.00 N ATOM 337 CA TYR A 23 1.412 4.607 -5.379 1.00 0.00 C ATOM 338 C TYR A 23 0.322 3.689 -5.924 1.00 0.00 C ATOM 339 O TYR A 23 0.556 2.506 -6.172 1.00 0.00 O ATOM 340 CB TYR A 23 1.153 4.905 -3.901 1.00 0.00 C ATOM 341 CG TYR A 23 2.220 5.763 -3.260 1.00 0.00 C ATOM 342 CD1 TYR A 23 3.567 5.456 -3.406 1.00 0.00 C ATOM 343 CD2 TYR A 23 1.881 6.881 -2.509 1.00 0.00 C ATOM 344 CE1 TYR A 23 4.545 6.237 -2.822 1.00 0.00 C ATOM 345 CE2 TYR A 23 2.852 7.669 -1.922 1.00 0.00 C ATOM 346 CZ TYR A 23 4.183 7.343 -2.081 1.00 0.00 C ATOM 347 OH TYR A 23 5.154 8.124 -1.498 1.00 0.00 O ATOM 0 H TYR A 23 1.175 6.676 -5.627 1.00 0.00 H new ATOM 0 HA TYR A 23 2.372 4.100 -5.477 1.00 0.00 H new ATOM 0 HB2 TYR A 23 0.189 5.405 -3.803 1.00 0.00 H new ATOM 0 HB3 TYR A 23 1.080 3.964 -3.357 1.00 0.00 H new ATOM 0 HD1 TYR A 23 3.854 4.592 -3.986 1.00 0.00 H new ATOM 0 HD2 TYR A 23 0.840 7.139 -2.382 1.00 0.00 H new ATOM 0 HE1 TYR A 23 5.588 5.983 -2.945 1.00 0.00 H new ATOM 0 HE2 TYR A 23 2.571 8.535 -1.342 1.00 0.00 H new ATOM 0 HH TYR A 23 4.732 8.863 -1.013 1.00 0.00 H new ATOM 357 N THR A 24 -0.873 4.243 -6.107 1.00 0.00 N ATOM 358 CA THR A 24 -2.000 3.476 -6.621 1.00 0.00 C ATOM 359 C THR A 24 -1.574 2.580 -7.778 1.00 0.00 C ATOM 360 O THR A 24 -1.938 1.405 -7.832 1.00 0.00 O ATOM 361 CB THR A 24 -3.138 4.400 -7.095 1.00 0.00 C ATOM 362 OG1 THR A 24 -3.689 5.110 -5.981 1.00 0.00 O ATOM 363 CG2 THR A 24 -4.233 3.599 -7.784 1.00 0.00 C ATOM 0 H THR A 24 -1.085 5.220 -5.907 1.00 0.00 H new ATOM 0 HA THR A 24 -2.362 2.857 -5.800 1.00 0.00 H new ATOM 0 HB THR A 24 -2.725 5.112 -7.810 1.00 0.00 H new ATOM 0 HG1 THR A 24 -2.983 5.628 -5.541 1.00 0.00 H new ATOM 0 HG21 THR A 24 -5.026 4.272 -8.110 1.00 0.00 H new ATOM 0 HG22 THR A 24 -3.817 3.083 -8.649 1.00 0.00 H new ATOM 0 HG23 THR A 24 -4.642 2.867 -7.087 1.00 0.00 H new ATOM 371 N ASP A 25 -0.800 3.140 -8.700 1.00 0.00 N ATOM 372 CA ASP A 25 -0.322 2.390 -9.856 1.00 0.00 C ATOM 373 C ASP A 25 0.776 1.410 -9.451 1.00 0.00 C ATOM 374 O ASP A 25 0.843 0.293 -9.964 1.00 0.00 O ATOM 375 CB ASP A 25 0.201 3.345 -10.930 1.00 0.00 C ATOM 376 CG ASP A 25 0.506 2.637 -12.235 1.00 0.00 C ATOM 377 OD1 ASP A 25 1.398 1.763 -12.243 1.00 0.00 O ATOM 378 OD2 ASP A 25 -0.149 2.955 -13.250 1.00 0.00 O ATOM 0 H ASP A 25 -0.490 4.111 -8.670 1.00 0.00 H new ATOM 0 HA ASP A 25 -1.160 1.823 -10.262 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -0.538 4.127 -11.108 1.00 0.00 H new ATOM 0 HB3 ASP A 25 1.104 3.836 -10.567 1.00 0.00 H new ATOM 383 N TRP A 26 1.633 1.837 -8.531 1.00 0.00 N ATOM 384 CA TRP A 26 2.728 0.997 -8.059 1.00 0.00 C ATOM 385 C TRP A 26 2.202 -0.322 -7.504 1.00 0.00 C ATOM 386 O TRP A 26 2.744 -1.388 -7.794 1.00 0.00 O ATOM 387 CB TRP A 26 3.535 1.731 -6.987 1.00 0.00 C ATOM 388 CG TRP A 26 4.644 0.905 -6.410 1.00 0.00 C ATOM 389 CD1 TRP A 26 5.901 0.750 -6.921 1.00 0.00 C ATOM 390 CD2 TRP A 26 4.596 0.121 -5.213 1.00 0.00 C ATOM 391 NE1 TRP A 26 6.637 -0.084 -6.114 1.00 0.00 N ATOM 392 CE2 TRP A 26 5.859 -0.483 -5.059 1.00 0.00 C ATOM 393 CE3 TRP A 26 3.609 -0.128 -4.255 1.00 0.00 C ATOM 394 CZ2 TRP A 26 6.158 -1.320 -3.987 1.00 0.00 C ATOM 395 CZ3 TRP A 26 3.907 -0.959 -3.192 1.00 0.00 C ATOM 396 CH2 TRP A 26 5.173 -1.546 -3.064 1.00 0.00 C ATOM 0 H TRP A 26 1.591 2.759 -8.097 1.00 0.00 H new ATOM 0 HA TRP A 26 3.378 0.779 -8.907 1.00 0.00 H new ATOM 0 HB2 TRP A 26 3.955 2.640 -7.417 1.00 0.00 H new ATOM 0 HB3 TRP A 26 2.865 2.038 -6.184 1.00 0.00 H new ATOM 0 HD1 TRP A 26 6.263 1.215 -7.826 1.00 0.00 H new ATOM 0 HE1 TRP A 26 7.605 -0.361 -6.274 1.00 0.00 H new ATOM 0 HE3 TRP A 26 2.631 0.321 -4.344 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 7.133 -1.775 -3.887 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 3.151 -1.160 -2.447 1.00 0.00 H new ATOM 0 HH2 TRP A 26 5.375 -2.189 -2.220 1.00 0.00 H new ATOM 407 N ALA A 27 1.144 -0.242 -6.704 1.00 0.00 N ATOM 408 CA ALA A 27 0.544 -1.431 -6.110 1.00 0.00 C ATOM 409 C ALA A 27 -0.253 -2.218 -7.144 1.00 0.00 C ATOM 410 O ALA A 27 -0.144 -3.441 -7.226 1.00 0.00 O ATOM 411 CB ALA A 27 -0.345 -1.044 -4.938 1.00 0.00 C ATOM 0 H ALA A 27 0.685 0.633 -6.452 1.00 0.00 H new ATOM 0 HA ALA A 27 1.348 -2.071 -5.746 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -0.786 -1.941 -4.504 1.00 0.00 H new ATOM 0 HB2 ALA A 27 0.251 -0.531 -4.183 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -1.138 -0.382 -5.286 1.00 0.00 H new ATOM 417 N ASN A 28 -1.056 -1.509 -7.931 1.00 0.00 N ATOM 418 CA ASN A 28 -1.874 -2.143 -8.959 1.00 0.00 C ATOM 419 C ASN A 28 -1.054 -3.147 -9.763 1.00 0.00 C ATOM 420 O ASN A 28 -1.532 -4.233 -10.094 1.00 0.00 O ATOM 421 CB ASN A 28 -2.465 -1.086 -9.893 1.00 0.00 C ATOM 422 CG ASN A 28 -3.776 -0.525 -9.376 1.00 0.00 C ATOM 423 OD1 ASN A 28 -4.662 -1.272 -8.960 1.00 0.00 O ATOM 424 ND2 ASN A 28 -3.905 0.796 -9.400 1.00 0.00 N ATOM 0 H ASN A 28 -1.158 -0.496 -7.877 1.00 0.00 H new ATOM 0 HA ASN A 28 -2.686 -2.676 -8.465 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -1.749 -0.274 -10.017 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -2.624 -1.524 -10.878 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -4.765 1.231 -9.065 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -3.144 1.376 -9.754 1.00 0.00 H new ATOM 431 N HIS A 29 0.184 -2.777 -10.075 1.00 0.00 N ATOM 432 CA HIS A 29 1.072 -3.645 -10.840 1.00 0.00 C ATOM 433 C HIS A 29 1.169 -5.025 -10.197 1.00 0.00 C ATOM 434 O HIS A 29 1.166 -6.045 -10.888 1.00 0.00 O ATOM 435 CB HIS A 29 2.464 -3.021 -10.947 1.00 0.00 C ATOM 436 CG HIS A 29 3.560 -4.027 -11.116 1.00 0.00 C ATOM 437 ND1 HIS A 29 3.489 -5.075 -12.009 1.00 0.00 N ATOM 438 CD2 HIS A 29 4.761 -4.139 -10.502 1.00 0.00 C ATOM 439 CE1 HIS A 29 4.598 -5.790 -11.935 1.00 0.00 C ATOM 440 NE2 HIS A 29 5.386 -5.242 -11.028 1.00 0.00 N ATOM 0 H HIS A 29 0.595 -1.882 -9.810 1.00 0.00 H new ATOM 0 HA HIS A 29 0.655 -3.758 -11.841 1.00 0.00 H new ATOM 0 HB2 HIS A 29 2.481 -2.333 -11.792 1.00 0.00 H new ATOM 0 HB3 HIS A 29 2.658 -2.431 -10.051 1.00 0.00 H new ATOM 0 HD2 HIS A 29 5.154 -3.483 -9.740 1.00 0.00 H new ATOM 0 HE1 HIS A 29 4.822 -6.672 -12.517 1.00 0.00 H new ATOM 0 HE2 HIS A 29 6.310 -5.583 -10.761 1.00 0.00 H new ATOM 449 N TYR A 30 1.256 -5.050 -8.872 1.00 0.00 N ATOM 450 CA TYR A 30 1.358 -6.305 -8.136 1.00 0.00 C ATOM 451 C TYR A 30 0.015 -7.029 -8.106 1.00 0.00 C ATOM 452 O TYR A 30 -0.045 -8.242 -7.901 1.00 0.00 O ATOM 453 CB TYR A 30 1.841 -6.045 -6.708 1.00 0.00 C ATOM 454 CG TYR A 30 3.252 -5.506 -6.634 1.00 0.00 C ATOM 455 CD1 TYR A 30 4.346 -6.356 -6.729 1.00 0.00 C ATOM 456 CD2 TYR A 30 3.490 -4.147 -6.469 1.00 0.00 C ATOM 457 CE1 TYR A 30 5.637 -5.869 -6.662 1.00 0.00 C ATOM 458 CE2 TYR A 30 4.777 -3.651 -6.402 1.00 0.00 C ATOM 459 CZ TYR A 30 5.848 -4.516 -6.499 1.00 0.00 C ATOM 460 OH TYR A 30 7.132 -4.025 -6.432 1.00 0.00 O ATOM 0 H TYR A 30 1.258 -4.216 -8.285 1.00 0.00 H new ATOM 0 HA TYR A 30 2.082 -6.939 -8.648 1.00 0.00 H new ATOM 0 HB2 TYR A 30 1.165 -5.337 -6.228 1.00 0.00 H new ATOM 0 HB3 TYR A 30 1.786 -6.974 -6.140 1.00 0.00 H new ATOM 0 HD1 TYR A 30 4.185 -7.416 -6.857 1.00 0.00 H new ATOM 0 HD2 TYR A 30 2.654 -3.467 -6.392 1.00 0.00 H new ATOM 0 HE1 TYR A 30 6.477 -6.544 -6.737 1.00 0.00 H new ATOM 0 HE2 TYR A 30 4.945 -2.592 -6.274 1.00 0.00 H new ATOM 0 HH TYR A 30 7.105 -3.052 -6.317 1.00 0.00 H new ATOM 470 N LEU A 31 -1.060 -6.277 -8.314 1.00 0.00 N ATOM 471 CA LEU A 31 -2.403 -6.845 -8.313 1.00 0.00 C ATOM 472 C LEU A 31 -2.746 -7.437 -9.677 1.00 0.00 C ATOM 473 O LEU A 31 -3.410 -8.468 -9.768 1.00 0.00 O ATOM 474 CB LEU A 31 -3.430 -5.777 -7.936 1.00 0.00 C ATOM 475 CG LEU A 31 -3.577 -5.484 -6.442 1.00 0.00 C ATOM 476 CD1 LEU A 31 -4.668 -4.452 -6.204 1.00 0.00 C ATOM 477 CD2 LEU A 31 -3.874 -6.764 -5.674 1.00 0.00 C ATOM 0 H LEU A 31 -1.028 -5.272 -8.486 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.431 -7.645 -7.573 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.163 -4.850 -8.443 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.402 -6.083 -8.323 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.634 -5.076 -6.078 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.757 -4.257 -5.135 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.413 -3.527 -6.722 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.617 -4.831 -6.584 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.975 -6.536 -4.613 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.802 -7.202 -6.042 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.057 -7.472 -5.817 1.00 0.00 H new ATOM 489 N ALA A 32 -2.285 -6.777 -10.735 1.00 0.00 N ATOM 490 CA ALA A 32 -2.539 -7.239 -12.094 1.00 0.00 C ATOM 491 C ALA A 32 -1.621 -8.401 -12.459 1.00 0.00 C ATOM 492 O ALA A 32 -1.948 -9.218 -13.319 1.00 0.00 O ATOM 493 CB ALA A 32 -2.364 -6.095 -13.082 1.00 0.00 C ATOM 0 H ALA A 32 -1.734 -5.921 -10.677 1.00 0.00 H new ATOM 0 HA ALA A 32 -3.569 -7.594 -12.144 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -2.557 -6.455 -14.093 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -3.065 -5.296 -12.841 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -1.345 -5.714 -13.021 1.00 0.00 H new ATOM 499 N LYS A 33 -0.469 -8.468 -11.799 1.00 0.00 N ATOM 500 CA LYS A 33 0.497 -9.530 -12.053 1.00 0.00 C ATOM 501 C LYS A 33 0.035 -10.846 -11.434 1.00 0.00 C ATOM 502 O LYS A 33 0.276 -11.920 -11.984 1.00 0.00 O ATOM 503 CB LYS A 33 1.868 -9.144 -11.494 1.00 0.00 C ATOM 504 CG LYS A 33 2.084 -9.583 -10.056 1.00 0.00 C ATOM 505 CD LYS A 33 3.395 -9.051 -9.501 1.00 0.00 C ATOM 506 CE LYS A 33 4.589 -9.765 -10.114 1.00 0.00 C ATOM 507 NZ LYS A 33 5.878 -9.269 -9.556 1.00 0.00 N ATOM 0 H LYS A 33 -0.182 -7.799 -11.084 1.00 0.00 H new ATOM 0 HA LYS A 33 0.576 -9.665 -13.132 1.00 0.00 H new ATOM 0 HB2 LYS A 33 2.644 -9.585 -12.120 1.00 0.00 H new ATOM 0 HB3 LYS A 33 1.985 -8.062 -11.556 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.257 -9.231 -9.439 1.00 0.00 H new ATOM 0 HG3 LYS A 33 2.080 -10.672 -10.003 1.00 0.00 H new ATOM 0 HD2 LYS A 33 3.468 -7.982 -9.699 1.00 0.00 H new ATOM 0 HD3 LYS A 33 3.411 -9.177 -8.418 1.00 0.00 H new ATOM 0 HE2 LYS A 33 4.503 -10.837 -9.933 1.00 0.00 H new ATOM 0 HE3 LYS A 33 4.582 -9.622 -11.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 6.668 -9.780 -9.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 5.972 -8.252 -9.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 5.896 -9.428 -8.528 1.00 0.00 H new ATOM 521 N SER A 34 -0.630 -10.753 -10.287 1.00 0.00 N ATOM 522 CA SER A 34 -1.124 -11.936 -9.592 1.00 0.00 C ATOM 523 C SER A 34 -2.553 -12.260 -10.018 1.00 0.00 C ATOM 524 O SER A 34 -3.319 -12.853 -9.260 1.00 0.00 O ATOM 525 CB SER A 34 -1.066 -11.726 -8.078 1.00 0.00 C ATOM 526 OG SER A 34 -0.939 -12.961 -7.396 1.00 0.00 O ATOM 0 H SER A 34 -0.839 -9.871 -9.819 1.00 0.00 H new ATOM 0 HA SER A 34 -0.484 -12.777 -9.859 1.00 0.00 H new ATOM 0 HB2 SER A 34 -0.223 -11.081 -7.829 1.00 0.00 H new ATOM 0 HB3 SER A 34 -1.968 -11.214 -7.744 1.00 0.00 H new ATOM 0 HG SER A 34 -0.903 -12.799 -6.430 1.00 0.00 H new ATOM 532 N GLY A 35 -2.904 -11.865 -11.238 1.00 0.00 N ATOM 533 CA GLY A 35 -4.240 -12.120 -11.744 1.00 0.00 C ATOM 534 C GLY A 35 -5.321 -11.653 -10.790 1.00 0.00 C ATOM 535 O GLY A 35 -6.062 -12.465 -10.235 1.00 0.00 O ATOM 0 H GLY A 35 -2.287 -11.373 -11.885 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -4.364 -11.617 -12.703 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -4.358 -13.188 -11.927 1.00 0.00 H new ATOM 539 N HIS A 36 -5.412 -10.341 -10.597 1.00 0.00 N ATOM 540 CA HIS A 36 -6.410 -9.767 -9.702 1.00 0.00 C ATOM 541 C HIS A 36 -7.324 -8.804 -10.454 1.00 0.00 C ATOM 542 O HIS A 36 -6.999 -7.630 -10.628 1.00 0.00 O ATOM 543 CB HIS A 36 -5.728 -9.040 -8.543 1.00 0.00 C ATOM 544 CG HIS A 36 -6.517 -9.070 -7.270 1.00 0.00 C ATOM 545 ND1 HIS A 36 -7.434 -8.097 -6.930 1.00 0.00 N ATOM 546 CD2 HIS A 36 -6.525 -9.964 -6.254 1.00 0.00 C ATOM 547 CE1 HIS A 36 -7.969 -8.391 -5.758 1.00 0.00 C ATOM 548 NE2 HIS A 36 -7.435 -9.519 -5.327 1.00 0.00 N ATOM 0 H HIS A 36 -4.807 -9.655 -11.049 1.00 0.00 H new ATOM 0 HA HIS A 36 -7.017 -10.581 -9.304 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -4.752 -9.491 -8.366 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -5.553 -8.003 -8.828 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -5.927 -10.861 -6.185 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -8.716 -7.808 -5.241 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -7.662 -9.984 -4.448 1.00 0.00 H new ATOM 557 N LYS A 37 -8.470 -9.310 -10.899 1.00 0.00 N ATOM 558 CA LYS A 37 -9.432 -8.496 -11.632 1.00 0.00 C ATOM 559 C LYS A 37 -9.595 -7.127 -10.980 1.00 0.00 C ATOM 560 O LYS A 37 -9.315 -6.098 -11.595 1.00 0.00 O ATOM 561 CB LYS A 37 -10.786 -9.206 -11.698 1.00 0.00 C ATOM 562 CG LYS A 37 -10.776 -10.455 -12.562 1.00 0.00 C ATOM 563 CD LYS A 37 -12.178 -10.835 -13.009 1.00 0.00 C ATOM 564 CE LYS A 37 -12.618 -10.021 -14.217 1.00 0.00 C ATOM 565 NZ LYS A 37 -13.994 -10.382 -14.657 1.00 0.00 N ATOM 0 H LYS A 37 -8.755 -10.280 -10.764 1.00 0.00 H new ATOM 0 HA LYS A 37 -9.053 -8.354 -12.644 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -11.095 -9.475 -10.688 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -11.532 -8.512 -12.085 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -10.147 -10.289 -13.436 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -10.335 -11.281 -12.004 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -12.208 -11.897 -13.254 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -12.878 -10.678 -12.188 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -12.582 -8.959 -13.972 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -11.920 -10.183 -15.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -14.257 -9.806 -15.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -14.023 -11.389 -14.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -14.664 -10.203 -13.882 1.00 0.00 H new ATOM 579 N ARG A 38 -10.049 -7.122 -9.731 1.00 0.00 N ATOM 580 CA ARG A 38 -10.249 -5.879 -8.996 1.00 0.00 C ATOM 581 C ARG A 38 -8.949 -5.086 -8.905 1.00 0.00 C ATOM 582 O ARG A 38 -7.866 -5.660 -8.779 1.00 0.00 O ATOM 583 CB ARG A 38 -10.780 -6.172 -7.591 1.00 0.00 C ATOM 584 CG ARG A 38 -10.866 -4.942 -6.703 1.00 0.00 C ATOM 585 CD ARG A 38 -10.668 -5.296 -5.238 1.00 0.00 C ATOM 586 NE ARG A 38 -11.397 -4.392 -4.352 1.00 0.00 N ATOM 587 CZ ARG A 38 -11.549 -4.604 -3.050 1.00 0.00 C ATOM 588 NH1 ARG A 38 -11.027 -5.683 -2.485 1.00 0.00 N ATOM 589 NH2 ARG A 38 -12.226 -3.735 -2.310 1.00 0.00 N ATOM 0 H ARG A 38 -10.285 -7.965 -9.207 1.00 0.00 H new ATOM 0 HA ARG A 38 -10.982 -5.281 -9.537 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -11.770 -6.621 -7.672 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -10.134 -6.909 -7.114 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -10.110 -4.218 -7.009 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -11.837 -4.464 -6.835 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -11.000 -6.319 -5.064 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -9.606 -5.261 -4.997 1.00 0.00 H new ATOM 0 HE ARG A 38 -11.812 -3.552 -4.755 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -10.507 -6.354 -3.050 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -11.146 -5.843 -1.485 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -12.630 -2.904 -2.741 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -12.342 -3.898 -1.310 1.00 0.00 H new ATOM 603 N LEU A 39 -9.063 -3.764 -8.969 1.00 0.00 N ATOM 604 CA LEU A 39 -7.897 -2.891 -8.895 1.00 0.00 C ATOM 605 C LEU A 39 -8.040 -1.887 -7.755 1.00 0.00 C ATOM 606 O LEU A 39 -9.005 -1.933 -6.992 1.00 0.00 O ATOM 607 CB LEU A 39 -7.704 -2.151 -10.219 1.00 0.00 C ATOM 608 CG LEU A 39 -7.079 -2.961 -11.356 1.00 0.00 C ATOM 609 CD1 LEU A 39 -7.056 -2.148 -12.641 1.00 0.00 C ATOM 610 CD2 LEU A 39 -5.674 -3.409 -10.981 1.00 0.00 C ATOM 0 H LEU A 39 -9.951 -3.273 -9.072 1.00 0.00 H new ATOM 0 HA LEU A 39 -7.022 -3.511 -8.702 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -8.675 -1.784 -10.552 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -7.079 -1.277 -10.036 1.00 0.00 H new ATOM 0 HG LEU A 39 -7.690 -3.848 -11.523 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -6.608 -2.741 -13.439 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -8.075 -1.877 -12.919 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -6.469 -1.242 -12.488 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -5.244 -3.984 -11.801 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -5.053 -2.535 -10.787 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -5.717 -4.030 -10.086 1.00 0.00 H new ATOM 622 N ILE A 40 -7.074 -0.981 -7.647 1.00 0.00 N ATOM 623 CA ILE A 40 -7.094 0.035 -6.602 1.00 0.00 C ATOM 624 C ILE A 40 -7.578 1.375 -7.148 1.00 0.00 C ATOM 625 O ILE A 40 -6.978 1.937 -8.064 1.00 0.00 O ATOM 626 CB ILE A 40 -5.701 0.223 -5.972 1.00 0.00 C ATOM 627 CG1 ILE A 40 -5.310 -1.018 -5.167 1.00 0.00 C ATOM 628 CG2 ILE A 40 -5.682 1.462 -5.089 1.00 0.00 C ATOM 629 CD1 ILE A 40 -3.852 -1.041 -4.764 1.00 0.00 C ATOM 0 H ILE A 40 -6.268 -0.930 -8.270 1.00 0.00 H new ATOM 0 HA ILE A 40 -7.786 -0.314 -5.835 1.00 0.00 H new ATOM 0 HB ILE A 40 -4.972 0.359 -6.771 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -5.928 -1.069 -4.270 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -5.530 -1.908 -5.757 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -4.691 1.581 -4.651 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -5.922 2.340 -5.689 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -6.420 1.353 -4.294 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -3.646 -1.948 -4.197 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -3.227 -1.021 -5.657 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -3.631 -0.170 -4.148 1.00 0.00 H new ATOM 641 N ARG A 41 -8.666 1.881 -6.577 1.00 0.00 N ATOM 642 CA ARG A 41 -9.231 3.155 -7.006 1.00 0.00 C ATOM 643 C ARG A 41 -8.708 4.300 -6.142 1.00 0.00 C ATOM 644 O ARG A 41 -8.005 5.186 -6.628 1.00 0.00 O ATOM 645 CB ARG A 41 -10.758 3.109 -6.939 1.00 0.00 C ATOM 646 CG ARG A 41 -11.387 2.207 -7.988 1.00 0.00 C ATOM 647 CD ARG A 41 -11.531 0.780 -7.482 1.00 0.00 C ATOM 648 NE ARG A 41 -12.166 -0.089 -8.469 1.00 0.00 N ATOM 649 CZ ARG A 41 -12.805 -1.211 -8.157 1.00 0.00 C ATOM 650 NH1 ARG A 41 -12.894 -1.598 -6.892 1.00 0.00 N ATOM 651 NH2 ARG A 41 -13.357 -1.949 -9.112 1.00 0.00 N ATOM 0 H ARG A 41 -9.174 1.429 -5.817 1.00 0.00 H new ATOM 0 HA ARG A 41 -8.925 3.330 -8.037 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -11.060 2.766 -5.949 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -11.149 4.119 -7.059 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -12.367 2.597 -8.264 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -10.775 2.214 -8.890 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -10.547 0.384 -7.230 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -12.120 0.778 -6.565 1.00 0.00 H new ATOM 0 HE ARG A 41 -12.116 0.180 -9.452 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -12.471 -1.034 -6.155 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -13.385 -2.460 -6.656 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -13.291 -1.655 -10.086 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -13.847 -2.810 -8.872 1.00 0.00 H new ATOM 665 N ASP A 42 -9.055 4.273 -4.861 1.00 0.00 N ATOM 666 CA ASP A 42 -8.621 5.308 -3.929 1.00 0.00 C ATOM 667 C ASP A 42 -7.648 4.739 -2.900 1.00 0.00 C ATOM 668 O ASP A 42 -8.060 4.133 -1.910 1.00 0.00 O ATOM 669 CB ASP A 42 -9.827 5.926 -3.221 1.00 0.00 C ATOM 670 CG ASP A 42 -10.666 6.783 -4.148 1.00 0.00 C ATOM 671 OD1 ASP A 42 -11.004 6.308 -5.253 1.00 0.00 O ATOM 672 OD2 ASP A 42 -10.984 7.930 -3.770 1.00 0.00 O ATOM 0 H ASP A 42 -9.636 3.546 -4.443 1.00 0.00 H new ATOM 0 HA ASP A 42 -8.108 6.083 -4.499 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -10.447 5.132 -2.805 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -9.482 6.532 -2.384 1.00 0.00 H new ATOM 677 N LEU A 43 -6.357 4.937 -3.142 1.00 0.00 N ATOM 678 CA LEU A 43 -5.325 4.443 -2.237 1.00 0.00 C ATOM 679 C LEU A 43 -5.719 4.677 -0.782 1.00 0.00 C ATOM 680 O LEU A 43 -5.242 3.986 0.118 1.00 0.00 O ATOM 681 CB LEU A 43 -3.990 5.129 -2.532 1.00 0.00 C ATOM 682 CG LEU A 43 -2.743 4.438 -1.977 1.00 0.00 C ATOM 683 CD1 LEU A 43 -2.418 3.193 -2.788 1.00 0.00 C ATOM 684 CD2 LEU A 43 -1.561 5.396 -1.970 1.00 0.00 C ATOM 0 H LEU A 43 -6.000 5.436 -3.957 1.00 0.00 H new ATOM 0 HA LEU A 43 -5.219 3.370 -2.397 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -3.881 5.218 -3.613 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -4.028 6.142 -2.131 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.945 4.135 -0.950 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.528 2.714 -2.379 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.257 2.499 -2.741 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.235 3.472 -3.826 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.683 4.887 -1.572 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.357 5.730 -2.987 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.795 6.258 -1.345 1.00 0.00 H new ATOM 696 N GLN A 44 -6.594 5.652 -0.560 1.00 0.00 N ATOM 697 CA GLN A 44 -7.053 5.975 0.785 1.00 0.00 C ATOM 698 C GLN A 44 -8.090 4.965 1.263 1.00 0.00 C ATOM 699 O GLN A 44 -8.085 4.559 2.425 1.00 0.00 O ATOM 700 CB GLN A 44 -7.643 7.386 0.821 1.00 0.00 C ATOM 701 CG GLN A 44 -6.605 8.484 0.654 1.00 0.00 C ATOM 702 CD GLN A 44 -7.225 9.826 0.316 1.00 0.00 C ATOM 703 OE1 GLN A 44 -7.721 10.032 -0.791 1.00 0.00 O ATOM 704 NE2 GLN A 44 -7.198 10.748 1.272 1.00 0.00 N ATOM 0 H GLN A 44 -6.999 6.232 -1.295 1.00 0.00 H new ATOM 0 HA GLN A 44 -6.194 5.931 1.455 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -8.389 7.479 0.031 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -8.162 7.530 1.768 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -6.028 8.576 1.574 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -5.907 8.202 -0.134 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -6.776 10.534 2.176 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -7.599 11.670 1.102 1.00 0.00 H new ATOM 713 N GLN A 45 -8.979 4.564 0.360 1.00 0.00 N ATOM 714 CA GLN A 45 -10.023 3.602 0.691 1.00 0.00 C ATOM 715 C GLN A 45 -9.518 2.172 0.528 1.00 0.00 C ATOM 716 O GLN A 45 -9.699 1.334 1.411 1.00 0.00 O ATOM 717 CB GLN A 45 -11.251 3.825 -0.193 1.00 0.00 C ATOM 718 CG GLN A 45 -12.166 4.933 0.305 1.00 0.00 C ATOM 719 CD GLN A 45 -13.595 4.768 -0.173 1.00 0.00 C ATOM 720 OE1 GLN A 45 -13.840 4.294 -1.283 1.00 0.00 O ATOM 721 NE2 GLN A 45 -14.548 5.160 0.664 1.00 0.00 N ATOM 0 H GLN A 45 -8.997 4.890 -0.606 1.00 0.00 H new ATOM 0 HA GLN A 45 -10.302 3.753 1.734 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -10.922 4.064 -1.204 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -11.818 2.896 -0.254 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -12.151 4.949 1.395 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -11.782 5.896 -0.033 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -14.300 5.547 1.574 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -15.529 5.074 0.397 1.00 0.00 H new ATOM 730 N ASP A 46 -8.884 1.900 -0.608 1.00 0.00 N ATOM 731 CA ASP A 46 -8.351 0.572 -0.887 1.00 0.00 C ATOM 732 C ASP A 46 -7.672 -0.012 0.348 1.00 0.00 C ATOM 733 O ASP A 46 -7.542 -1.229 0.481 1.00 0.00 O ATOM 734 CB ASP A 46 -7.360 0.630 -2.050 1.00 0.00 C ATOM 735 CG ASP A 46 -5.937 0.869 -1.587 1.00 0.00 C ATOM 736 OD1 ASP A 46 -5.715 1.834 -0.825 1.00 0.00 O ATOM 737 OD2 ASP A 46 -5.044 0.092 -1.986 1.00 0.00 O ATOM 0 H ASP A 46 -8.727 2.582 -1.350 1.00 0.00 H new ATOM 0 HA ASP A 46 -9.184 -0.076 -1.162 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -7.405 -0.305 -2.609 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -7.654 1.425 -2.735 1.00 0.00 H new ATOM 742 N VAL A 47 -7.238 0.864 1.248 1.00 0.00 N ATOM 743 CA VAL A 47 -6.572 0.436 2.472 1.00 0.00 C ATOM 744 C VAL A 47 -7.401 0.790 3.702 1.00 0.00 C ATOM 745 O VAL A 47 -6.870 1.256 4.710 1.00 0.00 O ATOM 746 CB VAL A 47 -5.177 1.077 2.605 1.00 0.00 C ATOM 747 CG1 VAL A 47 -4.310 0.723 1.407 1.00 0.00 C ATOM 748 CG2 VAL A 47 -5.297 2.586 2.761 1.00 0.00 C ATOM 0 H VAL A 47 -7.336 1.875 1.152 1.00 0.00 H new ATOM 0 HA VAL A 47 -6.463 -0.647 2.411 1.00 0.00 H new ATOM 0 HB VAL A 47 -4.697 0.680 3.499 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.329 1.185 1.519 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -4.197 -0.359 1.347 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -4.782 1.090 0.495 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -4.302 3.022 2.854 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -5.797 3.004 1.887 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -5.878 2.814 3.654 1.00 0.00 H new ATOM 758 N THR A 48 -8.708 0.564 3.612 1.00 0.00 N ATOM 759 CA THR A 48 -9.612 0.858 4.717 1.00 0.00 C ATOM 760 C THR A 48 -9.789 -0.356 5.621 1.00 0.00 C ATOM 761 O THR A 48 -9.917 -0.222 6.838 1.00 0.00 O ATOM 762 CB THR A 48 -10.993 1.311 4.207 1.00 0.00 C ATOM 763 OG1 THR A 48 -11.377 0.528 3.072 1.00 0.00 O ATOM 764 CG2 THR A 48 -10.975 2.785 3.830 1.00 0.00 C ATOM 0 H THR A 48 -9.164 0.178 2.785 1.00 0.00 H new ATOM 0 HA THR A 48 -9.160 1.669 5.288 1.00 0.00 H new ATOM 0 HB THR A 48 -11.717 1.167 5.009 1.00 0.00 H new ATOM 0 HG1 THR A 48 -11.173 1.021 2.250 1.00 0.00 H new ATOM 0 HG21 THR A 48 -11.961 3.081 3.473 1.00 0.00 H new ATOM 0 HG22 THR A 48 -10.711 3.381 4.704 1.00 0.00 H new ATOM 0 HG23 THR A 48 -10.239 2.950 3.043 1.00 0.00 H new ATOM 772 N ASP A 49 -9.797 -1.540 5.019 1.00 0.00 N ATOM 773 CA ASP A 49 -9.957 -2.779 5.771 1.00 0.00 C ATOM 774 C ASP A 49 -8.635 -3.534 5.862 1.00 0.00 C ATOM 775 O ASP A 49 -8.501 -4.483 6.634 1.00 0.00 O ATOM 776 CB ASP A 49 -11.020 -3.664 5.117 1.00 0.00 C ATOM 777 CG ASP A 49 -12.167 -2.859 4.539 1.00 0.00 C ATOM 778 OD1 ASP A 49 -11.937 -2.115 3.563 1.00 0.00 O ATOM 779 OD2 ASP A 49 -13.295 -2.972 5.064 1.00 0.00 O ATOM 0 H ASP A 49 -9.695 -1.668 4.012 1.00 0.00 H new ATOM 0 HA ASP A 49 -10.279 -2.523 6.780 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -10.560 -4.255 4.325 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -11.408 -4.366 5.855 1.00 0.00 H new ATOM 784 N GLY A 50 -7.659 -3.107 5.066 1.00 0.00 N ATOM 785 CA GLY A 50 -6.360 -3.755 5.071 1.00 0.00 C ATOM 786 C GLY A 50 -6.299 -4.938 4.125 1.00 0.00 C ATOM 787 O GLY A 50 -5.224 -5.308 3.651 1.00 0.00 O ATOM 0 H GLY A 50 -7.745 -2.324 4.418 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -5.595 -3.031 4.792 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -6.128 -4.090 6.082 1.00 0.00 H new ATOM 791 N VAL A 51 -7.454 -5.535 3.851 1.00 0.00 N ATOM 792 CA VAL A 51 -7.527 -6.684 2.956 1.00 0.00 C ATOM 793 C VAL A 51 -6.807 -6.404 1.642 1.00 0.00 C ATOM 794 O VAL A 51 -5.747 -6.969 1.369 1.00 0.00 O ATOM 795 CB VAL A 51 -8.988 -7.069 2.656 1.00 0.00 C ATOM 796 CG1 VAL A 51 -9.043 -8.264 1.715 1.00 0.00 C ATOM 797 CG2 VAL A 51 -9.737 -7.362 3.947 1.00 0.00 C ATOM 0 H VAL A 51 -8.352 -5.242 4.236 1.00 0.00 H new ATOM 0 HA VAL A 51 -7.037 -7.514 3.465 1.00 0.00 H new ATOM 0 HB VAL A 51 -9.474 -6.227 2.164 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -10.083 -8.522 1.514 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -8.544 -8.013 0.779 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -8.541 -9.114 2.177 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -10.767 -7.632 3.716 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -9.253 -8.188 4.469 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -9.728 -6.476 4.582 1.00 0.00 H new ATOM 807 N LEU A 52 -7.389 -5.528 0.830 1.00 0.00 N ATOM 808 CA LEU A 52 -6.802 -5.171 -0.457 1.00 0.00 C ATOM 809 C LEU A 52 -5.353 -4.726 -0.291 1.00 0.00 C ATOM 810 O LEU A 52 -4.506 -5.000 -1.142 1.00 0.00 O ATOM 811 CB LEU A 52 -7.617 -4.059 -1.120 1.00 0.00 C ATOM 812 CG LEU A 52 -7.645 -4.067 -2.649 1.00 0.00 C ATOM 813 CD1 LEU A 52 -8.583 -2.991 -3.172 1.00 0.00 C ATOM 814 CD2 LEU A 52 -6.243 -3.874 -3.209 1.00 0.00 C ATOM 0 H LEU A 52 -8.266 -5.052 1.040 1.00 0.00 H new ATOM 0 HA LEU A 52 -6.819 -6.055 -1.094 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -8.643 -4.123 -0.758 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -7.221 -3.099 -0.789 1.00 0.00 H new ATOM 0 HG LEU A 52 -8.017 -5.036 -2.981 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -8.589 -3.012 -4.262 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -9.591 -3.174 -2.799 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -8.242 -2.014 -2.830 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -6.282 -3.882 -4.298 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -5.843 -2.919 -2.868 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -5.599 -4.682 -2.863 1.00 0.00 H new ATOM 826 N LEU A 53 -5.073 -4.040 0.812 1.00 0.00 N ATOM 827 CA LEU A 53 -3.725 -3.559 1.092 1.00 0.00 C ATOM 828 C LEU A 53 -2.738 -4.719 1.171 1.00 0.00 C ATOM 829 O LEU A 53 -1.661 -4.672 0.577 1.00 0.00 O ATOM 830 CB LEU A 53 -3.707 -2.769 2.402 1.00 0.00 C ATOM 831 CG LEU A 53 -2.380 -2.762 3.163 1.00 0.00 C ATOM 832 CD1 LEU A 53 -1.246 -2.317 2.254 1.00 0.00 C ATOM 833 CD2 LEU A 53 -2.472 -1.862 4.386 1.00 0.00 C ATOM 0 H LEU A 53 -5.762 -3.805 1.527 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.422 -2.904 0.275 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.984 -1.737 2.185 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.477 -3.174 3.058 1.00 0.00 H new ATOM 0 HG LEU A 53 -2.170 -3.777 3.499 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.310 -2.318 2.813 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.166 -3.002 1.410 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.448 -1.311 1.886 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -1.519 -1.869 4.915 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.705 -0.845 4.072 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -3.257 -2.227 5.048 1.00 0.00 H new ATOM 845 N ALA A 54 -3.114 -5.760 1.906 1.00 0.00 N ATOM 846 CA ALA A 54 -2.263 -6.934 2.058 1.00 0.00 C ATOM 847 C ALA A 54 -2.130 -7.690 0.741 1.00 0.00 C ATOM 848 O ALA A 54 -1.078 -8.255 0.444 1.00 0.00 O ATOM 849 CB ALA A 54 -2.817 -7.850 3.140 1.00 0.00 C ATOM 0 H ALA A 54 -4.002 -5.815 2.405 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.270 -6.596 2.355 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -2.172 -8.723 3.243 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.855 -7.313 4.088 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -3.822 -8.172 2.865 1.00 0.00 H new ATOM 855 N GLN A 55 -3.202 -7.695 -0.045 1.00 0.00 N ATOM 856 CA GLN A 55 -3.203 -8.383 -1.330 1.00 0.00 C ATOM 857 C GLN A 55 -1.944 -8.055 -2.125 1.00 0.00 C ATOM 858 O GLN A 55 -1.493 -8.851 -2.949 1.00 0.00 O ATOM 859 CB GLN A 55 -4.444 -7.999 -2.137 1.00 0.00 C ATOM 860 CG GLN A 55 -5.745 -8.495 -1.526 1.00 0.00 C ATOM 861 CD GLN A 55 -6.919 -8.378 -2.479 1.00 0.00 C ATOM 862 OE1 GLN A 55 -7.686 -9.325 -2.656 1.00 0.00 O ATOM 863 NE2 GLN A 55 -7.065 -7.213 -3.098 1.00 0.00 N ATOM 0 H GLN A 55 -4.080 -7.231 0.186 1.00 0.00 H new ATOM 0 HA GLN A 55 -3.220 -9.456 -1.138 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -4.486 -6.914 -2.229 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -4.350 -8.401 -3.146 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -5.628 -9.536 -1.226 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -5.958 -7.925 -0.622 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -6.405 -6.455 -2.921 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -7.837 -7.075 -3.751 1.00 0.00 H new ATOM 872 N ILE A 56 -1.381 -6.878 -1.872 1.00 0.00 N ATOM 873 CA ILE A 56 -0.173 -6.445 -2.563 1.00 0.00 C ATOM 874 C ILE A 56 1.075 -6.781 -1.754 1.00 0.00 C ATOM 875 O ILE A 56 1.956 -7.502 -2.223 1.00 0.00 O ATOM 876 CB ILE A 56 -0.197 -4.931 -2.844 1.00 0.00 C ATOM 877 CG1 ILE A 56 -1.413 -4.567 -3.698 1.00 0.00 C ATOM 878 CG2 ILE A 56 1.089 -4.499 -3.533 1.00 0.00 C ATOM 879 CD1 ILE A 56 -2.640 -4.220 -2.885 1.00 0.00 C ATOM 0 H ILE A 56 -1.742 -6.207 -1.194 1.00 0.00 H new ATOM 0 HA ILE A 56 -0.143 -6.982 -3.511 1.00 0.00 H new ATOM 0 HB ILE A 56 -0.273 -4.402 -1.894 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -1.159 -3.721 -4.336 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.648 -5.403 -4.356 1.00 0.00 H new ATOM 0 HG21 ILE A 56 1.056 -3.426 -3.725 1.00 0.00 H new ATOM 0 HG22 ILE A 56 1.940 -4.727 -2.891 1.00 0.00 H new ATOM 0 HG23 ILE A 56 1.193 -5.033 -4.477 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -3.463 -3.973 -3.556 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.920 -5.073 -2.267 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -2.423 -3.364 -2.246 1.00 0.00 H new ATOM 891 N ILE A 57 1.141 -6.256 -0.535 1.00 0.00 N ATOM 892 CA ILE A 57 2.280 -6.503 0.341 1.00 0.00 C ATOM 893 C ILE A 57 2.780 -7.936 0.201 1.00 0.00 C ATOM 894 O ILE A 57 3.971 -8.171 -0.002 1.00 0.00 O ATOM 895 CB ILE A 57 1.923 -6.237 1.816 1.00 0.00 C ATOM 896 CG1 ILE A 57 1.454 -4.792 1.998 1.00 0.00 C ATOM 897 CG2 ILE A 57 3.118 -6.529 2.711 1.00 0.00 C ATOM 898 CD1 ILE A 57 1.091 -4.450 3.426 1.00 0.00 C ATOM 0 H ILE A 57 0.420 -5.658 -0.132 1.00 0.00 H new ATOM 0 HA ILE A 57 3.068 -5.815 0.036 1.00 0.00 H new ATOM 0 HB ILE A 57 1.108 -6.902 2.103 1.00 0.00 H new ATOM 0 HG12 ILE A 57 2.241 -4.118 1.660 1.00 0.00 H new ATOM 0 HG13 ILE A 57 0.588 -4.616 1.360 1.00 0.00 H new ATOM 0 HG21 ILE A 57 2.850 -6.336 3.750 1.00 0.00 H new ATOM 0 HG22 ILE A 57 3.410 -7.573 2.599 1.00 0.00 H new ATOM 0 HG23 ILE A 57 3.951 -5.887 2.426 1.00 0.00 H new ATOM 0 HD11 ILE A 57 0.768 -3.410 3.480 1.00 0.00 H new ATOM 0 HD12 ILE A 57 0.282 -5.100 3.761 1.00 0.00 H new ATOM 0 HD13 ILE A 57 1.961 -4.593 4.067 1.00 0.00 H new ATOM 910 N GLN A 58 1.862 -8.891 0.310 1.00 0.00 N ATOM 911 CA GLN A 58 2.211 -10.302 0.194 1.00 0.00 C ATOM 912 C GLN A 58 2.945 -10.576 -1.115 1.00 0.00 C ATOM 913 O GLN A 58 3.940 -11.301 -1.141 1.00 0.00 O ATOM 914 CB GLN A 58 0.954 -11.169 0.279 1.00 0.00 C ATOM 915 CG GLN A 58 0.307 -11.170 1.655 1.00 0.00 C ATOM 916 CD GLN A 58 -1.049 -11.848 1.662 1.00 0.00 C ATOM 917 OE1 GLN A 58 -2.069 -11.220 1.951 1.00 0.00 O ATOM 918 NE2 GLN A 58 -1.068 -13.137 1.343 1.00 0.00 N ATOM 0 H GLN A 58 0.872 -8.714 0.478 1.00 0.00 H new ATOM 0 HA GLN A 58 2.875 -10.555 1.021 1.00 0.00 H new ATOM 0 HB2 GLN A 58 0.229 -10.816 -0.454 1.00 0.00 H new ATOM 0 HB3 GLN A 58 1.210 -12.193 0.006 1.00 0.00 H new ATOM 0 HG2 GLN A 58 0.965 -11.676 2.361 1.00 0.00 H new ATOM 0 HG3 GLN A 58 0.197 -10.142 2.001 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -0.199 -13.618 1.110 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -1.952 -13.646 1.331 1.00 0.00 H new ATOM 927 N VAL A 59 2.446 -9.993 -2.200 1.00 0.00 N ATOM 928 CA VAL A 59 3.054 -10.173 -3.513 1.00 0.00 C ATOM 929 C VAL A 59 4.421 -9.501 -3.582 1.00 0.00 C ATOM 930 O VAL A 59 5.444 -10.166 -3.748 1.00 0.00 O ATOM 931 CB VAL A 59 2.158 -9.605 -4.629 1.00 0.00 C ATOM 932 CG1 VAL A 59 2.813 -9.796 -5.989 1.00 0.00 C ATOM 933 CG2 VAL A 59 0.785 -10.259 -4.594 1.00 0.00 C ATOM 0 H VAL A 59 1.622 -9.392 -2.196 1.00 0.00 H new ATOM 0 HA VAL A 59 3.172 -11.246 -3.663 1.00 0.00 H new ATOM 0 HB VAL A 59 2.031 -8.536 -4.460 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.165 -9.389 -6.765 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.772 -9.278 -6.007 1.00 0.00 H new ATOM 0 HG13 VAL A 59 2.972 -10.859 -6.170 1.00 0.00 H new ATOM 0 HG21 VAL A 59 0.165 -9.846 -5.389 1.00 0.00 H new ATOM 0 HG22 VAL A 59 0.890 -11.334 -4.738 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.315 -10.066 -3.630 1.00 0.00 H new ATOM 943 N VAL A 60 4.431 -8.178 -3.454 1.00 0.00 N ATOM 944 CA VAL A 60 5.673 -7.415 -3.500 1.00 0.00 C ATOM 945 C VAL A 60 6.692 -7.963 -2.508 1.00 0.00 C ATOM 946 O VAL A 60 7.897 -7.920 -2.754 1.00 0.00 O ATOM 947 CB VAL A 60 5.427 -5.925 -3.197 1.00 0.00 C ATOM 948 CG1 VAL A 60 4.813 -5.755 -1.816 1.00 0.00 C ATOM 949 CG2 VAL A 60 6.724 -5.137 -3.313 1.00 0.00 C ATOM 0 H VAL A 60 3.593 -7.612 -3.318 1.00 0.00 H new ATOM 0 HA VAL A 60 6.067 -7.512 -4.511 1.00 0.00 H new ATOM 0 HB VAL A 60 4.723 -5.534 -3.932 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.646 -4.696 -1.620 1.00 0.00 H new ATOM 0 HG12 VAL A 60 3.862 -6.286 -1.773 1.00 0.00 H new ATOM 0 HG13 VAL A 60 5.490 -6.161 -1.064 1.00 0.00 H new ATOM 0 HG21 VAL A 60 6.532 -4.086 -3.096 1.00 0.00 H new ATOM 0 HG22 VAL A 60 7.452 -5.527 -2.602 1.00 0.00 H new ATOM 0 HG23 VAL A 60 7.118 -5.232 -4.325 1.00 0.00 H new ATOM 959 N ALA A 61 6.200 -8.480 -1.387 1.00 0.00 N ATOM 960 CA ALA A 61 7.068 -9.039 -0.359 1.00 0.00 C ATOM 961 C ALA A 61 7.322 -10.523 -0.602 1.00 0.00 C ATOM 962 O ALA A 61 8.280 -11.092 -0.082 1.00 0.00 O ATOM 963 CB ALA A 61 6.460 -8.825 1.019 1.00 0.00 C ATOM 0 H ALA A 61 5.205 -8.523 -1.168 1.00 0.00 H new ATOM 0 HA ALA A 61 8.026 -8.521 -0.406 1.00 0.00 H new ATOM 0 HB1 ALA A 61 7.119 -9.248 1.777 1.00 0.00 H new ATOM 0 HB2 ALA A 61 6.336 -7.757 1.200 1.00 0.00 H new ATOM 0 HB3 ALA A 61 5.488 -9.316 1.068 1.00 0.00 H new ATOM 969 N ASN A 62 6.456 -11.144 -1.396 1.00 0.00 N ATOM 970 CA ASN A 62 6.586 -12.563 -1.707 1.00 0.00 C ATOM 971 C ASN A 62 6.358 -13.416 -0.463 1.00 0.00 C ATOM 972 O ASN A 62 7.018 -14.436 -0.269 1.00 0.00 O ATOM 973 CB ASN A 62 7.969 -12.854 -2.292 1.00 0.00 C ATOM 974 CG ASN A 62 8.417 -11.789 -3.274 1.00 0.00 C ATOM 975 OD1 ASN A 62 9.308 -10.991 -2.979 1.00 0.00 O ATOM 976 ND2 ASN A 62 7.800 -11.770 -4.449 1.00 0.00 N ATOM 0 H ASN A 62 5.657 -10.687 -1.836 1.00 0.00 H new ATOM 0 HA ASN A 62 5.826 -12.818 -2.445 1.00 0.00 H new ATOM 0 HB2 ASN A 62 8.695 -12.926 -1.482 1.00 0.00 H new ATOM 0 HB3 ASN A 62 7.952 -13.822 -2.793 1.00 0.00 H new ATOM 0 HD21 ASN A 62 8.059 -11.075 -5.150 1.00 0.00 H new ATOM 0 HD22 ASN A 62 7.067 -12.450 -4.651 1.00 0.00 H new ATOM 983 N GLU A 63 5.418 -12.990 0.376 1.00 0.00 N ATOM 984 CA GLU A 63 5.104 -13.715 1.601 1.00 0.00 C ATOM 985 C GLU A 63 3.609 -13.653 1.902 1.00 0.00 C ATOM 986 O GLU A 63 2.876 -12.865 1.305 1.00 0.00 O ATOM 987 CB GLU A 63 5.896 -13.141 2.778 1.00 0.00 C ATOM 988 CG GLU A 63 6.088 -14.124 3.920 1.00 0.00 C ATOM 989 CD GLU A 63 6.562 -15.484 3.446 1.00 0.00 C ATOM 990 OE1 GLU A 63 7.764 -15.617 3.135 1.00 0.00 O ATOM 991 OE2 GLU A 63 5.732 -16.415 3.387 1.00 0.00 O ATOM 0 H GLU A 63 4.862 -12.148 0.229 1.00 0.00 H new ATOM 0 HA GLU A 63 5.386 -14.758 1.457 1.00 0.00 H new ATOM 0 HB2 GLU A 63 6.873 -12.815 2.423 1.00 0.00 H new ATOM 0 HB3 GLU A 63 5.382 -12.256 3.154 1.00 0.00 H new ATOM 0 HG2 GLU A 63 6.811 -13.717 4.627 1.00 0.00 H new ATOM 0 HG3 GLU A 63 5.147 -14.239 4.458 1.00 0.00 H new ATOM 998 N LYS A 64 3.164 -14.491 2.832 1.00 0.00 N ATOM 999 CA LYS A 64 1.757 -14.533 3.214 1.00 0.00 C ATOM 1000 C LYS A 64 1.579 -14.144 4.679 1.00 0.00 C ATOM 1001 O LYS A 64 2.278 -14.654 5.555 1.00 0.00 O ATOM 1002 CB LYS A 64 1.183 -15.931 2.974 1.00 0.00 C ATOM 1003 CG LYS A 64 -0.311 -15.936 2.700 1.00 0.00 C ATOM 1004 CD LYS A 64 -0.920 -17.304 2.958 1.00 0.00 C ATOM 1005 CE LYS A 64 -1.181 -17.526 4.440 1.00 0.00 C ATOM 1006 NZ LYS A 64 -2.535 -17.056 4.842 1.00 0.00 N ATOM 0 H LYS A 64 3.757 -15.151 3.335 1.00 0.00 H new ATOM 0 HA LYS A 64 1.218 -13.815 2.597 1.00 0.00 H new ATOM 0 HB2 LYS A 64 1.700 -16.387 2.130 1.00 0.00 H new ATOM 0 HB3 LYS A 64 1.386 -16.553 3.846 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -0.800 -15.194 3.331 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -0.493 -15.645 1.666 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -1.854 -17.398 2.405 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -0.250 -18.078 2.585 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -1.081 -18.587 4.671 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -0.426 -17.000 5.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -2.673 -17.225 5.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -2.622 -16.038 4.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -3.257 -17.576 4.303 1.00 0.00 H new ATOM 1020 N ILE A 65 0.641 -13.239 4.936 1.00 0.00 N ATOM 1021 CA ILE A 65 0.371 -12.785 6.294 1.00 0.00 C ATOM 1022 C ILE A 65 -0.725 -13.622 6.946 1.00 0.00 C ATOM 1023 O ILE A 65 -1.864 -13.639 6.482 1.00 0.00 O ATOM 1024 CB ILE A 65 -0.048 -11.303 6.320 1.00 0.00 C ATOM 1025 CG1 ILE A 65 0.905 -10.467 5.462 1.00 0.00 C ATOM 1026 CG2 ILE A 65 -0.075 -10.785 7.750 1.00 0.00 C ATOM 1027 CD1 ILE A 65 0.420 -9.054 5.223 1.00 0.00 C ATOM 0 H ILE A 65 0.056 -12.806 4.222 1.00 0.00 H new ATOM 0 HA ILE A 65 1.298 -12.902 6.855 1.00 0.00 H new ATOM 0 HB ILE A 65 -1.052 -11.217 5.905 1.00 0.00 H new ATOM 0 HG12 ILE A 65 1.881 -10.431 5.947 1.00 0.00 H new ATOM 0 HG13 ILE A 65 1.045 -10.962 4.501 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -0.373 -9.736 7.752 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -0.789 -11.366 8.334 1.00 0.00 H new ATOM 0 HG23 ILE A 65 0.917 -10.881 8.191 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.144 -8.520 4.608 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -0.541 -9.081 4.710 1.00 0.00 H new ATOM 0 HD13 ILE A 65 0.307 -8.542 6.178 1.00 0.00 H new ATOM 1039 N GLU A 66 -0.371 -14.313 8.025 1.00 0.00 N ATOM 1040 CA GLU A 66 -1.325 -15.151 8.741 1.00 0.00 C ATOM 1041 C GLU A 66 -2.168 -14.318 9.702 1.00 0.00 C ATOM 1042 O GLU A 66 -3.203 -14.771 10.190 1.00 0.00 O ATOM 1043 CB GLU A 66 -0.593 -16.252 9.512 1.00 0.00 C ATOM 1044 CG GLU A 66 0.182 -17.207 8.620 1.00 0.00 C ATOM 1045 CD GLU A 66 0.471 -18.533 9.296 1.00 0.00 C ATOM 1046 OE1 GLU A 66 -0.479 -19.317 9.496 1.00 0.00 O ATOM 1047 OE2 GLU A 66 1.649 -18.786 9.626 1.00 0.00 O ATOM 0 H GLU A 66 0.569 -14.309 8.422 1.00 0.00 H new ATOM 0 HA GLU A 66 -1.988 -15.610 8.007 1.00 0.00 H new ATOM 0 HB2 GLU A 66 0.095 -15.792 10.221 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -1.318 -16.820 10.094 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -0.385 -17.385 7.706 1.00 0.00 H new ATOM 0 HG3 GLU A 66 1.122 -16.741 8.326 1.00 0.00 H new ATOM 1054 N ASP A 67 -1.717 -13.097 9.968 1.00 0.00 N ATOM 1055 CA ASP A 67 -2.429 -12.198 10.870 1.00 0.00 C ATOM 1056 C ASP A 67 -3.454 -11.363 10.108 1.00 0.00 C ATOM 1057 O ASP A 67 -3.681 -10.197 10.430 1.00 0.00 O ATOM 1058 CB ASP A 67 -1.443 -11.281 11.594 1.00 0.00 C ATOM 1059 CG ASP A 67 -0.788 -11.958 12.782 1.00 0.00 C ATOM 1060 OD1 ASP A 67 0.165 -12.736 12.570 1.00 0.00 O ATOM 1061 OD2 ASP A 67 -1.230 -11.711 13.924 1.00 0.00 O ATOM 0 H ASP A 67 -0.862 -12.707 9.572 1.00 0.00 H new ATOM 0 HA ASP A 67 -2.956 -12.805 11.606 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -0.673 -10.956 10.895 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -1.965 -10.386 11.932 1.00 0.00 H new ATOM 1066 N ILE A 68 -4.067 -11.968 9.096 1.00 0.00 N ATOM 1067 CA ILE A 68 -5.067 -11.280 8.289 1.00 0.00 C ATOM 1068 C ILE A 68 -6.447 -11.900 8.477 1.00 0.00 C ATOM 1069 O ILE A 68 -6.696 -13.027 8.052 1.00 0.00 O ATOM 1070 CB ILE A 68 -4.702 -11.313 6.793 1.00 0.00 C ATOM 1071 CG1 ILE A 68 -3.338 -10.658 6.564 1.00 0.00 C ATOM 1072 CG2 ILE A 68 -5.775 -10.615 5.970 1.00 0.00 C ATOM 1073 CD1 ILE A 68 -3.326 -9.172 6.845 1.00 0.00 C ATOM 0 H ILE A 68 -3.889 -12.932 8.816 1.00 0.00 H new ATOM 0 HA ILE A 68 -5.088 -10.244 8.628 1.00 0.00 H new ATOM 0 HB ILE A 68 -4.644 -12.353 6.471 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -2.599 -11.146 7.199 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -3.032 -10.827 5.532 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -5.503 -10.647 4.915 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -6.730 -11.121 6.114 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -5.862 -9.577 6.291 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -2.328 -8.775 6.662 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -4.041 -8.672 6.191 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -3.601 -8.996 7.885 1.00 0.00 H new ATOM 1085 N ASN A 69 -7.342 -11.154 9.117 1.00 0.00 N ATOM 1086 CA ASN A 69 -8.699 -11.630 9.362 1.00 0.00 C ATOM 1087 C ASN A 69 -9.314 -12.199 8.086 1.00 0.00 C ATOM 1088 O ASN A 69 -9.733 -13.355 8.049 1.00 0.00 O ATOM 1089 CB ASN A 69 -9.571 -10.493 9.899 1.00 0.00 C ATOM 1090 CG ASN A 69 -10.951 -10.969 10.311 1.00 0.00 C ATOM 1091 OD1 ASN A 69 -11.092 -11.985 10.991 1.00 0.00 O ATOM 1092 ND2 ASN A 69 -11.977 -10.233 9.900 1.00 0.00 N ATOM 0 H ASN A 69 -7.152 -10.218 9.475 1.00 0.00 H new ATOM 0 HA ASN A 69 -8.651 -12.424 10.107 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -9.077 -10.033 10.755 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -9.669 -9.722 9.135 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -12.929 -10.503 10.147 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -11.813 -9.398 9.338 1.00 0.00 H new ATOM 1099 N GLY A 70 -9.364 -11.377 7.042 1.00 0.00 N ATOM 1100 CA GLY A 70 -9.928 -11.816 5.779 1.00 0.00 C ATOM 1101 C GLY A 70 -11.176 -11.042 5.401 1.00 0.00 C ATOM 1102 O GLY A 70 -11.219 -10.393 4.355 1.00 0.00 O ATOM 0 H GLY A 70 -9.024 -10.415 7.048 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -9.182 -11.703 4.993 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -10.167 -12.878 5.841 1.00 0.00 H new ATOM 1106 N CYS A 71 -12.193 -11.110 6.253 1.00 0.00 N ATOM 1107 CA CYS A 71 -13.448 -10.412 6.002 1.00 0.00 C ATOM 1108 C CYS A 71 -13.925 -9.683 7.254 1.00 0.00 C ATOM 1109 O CYS A 71 -14.892 -10.081 7.904 1.00 0.00 O ATOM 1110 CB CYS A 71 -14.519 -11.398 5.532 1.00 0.00 C ATOM 1111 SG CYS A 71 -14.239 -12.056 3.872 1.00 0.00 S ATOM 0 H CYS A 71 -12.173 -11.641 7.123 1.00 0.00 H new ATOM 0 HA CYS A 71 -13.274 -9.675 5.218 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -14.568 -12.228 6.237 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -15.489 -10.902 5.556 1.00 0.00 H new ATOM 0 HG CYS A 71 -15.195 -12.881 3.565 1.00 0.00 H new ATOM 1117 N PRO A 72 -13.231 -8.589 7.603 1.00 0.00 N ATOM 1118 CA PRO A 72 -13.564 -7.782 8.780 1.00 0.00 C ATOM 1119 C PRO A 72 -14.872 -7.017 8.607 1.00 0.00 C ATOM 1120 O PRO A 72 -15.098 -6.379 7.578 1.00 0.00 O ATOM 1121 CB PRO A 72 -12.386 -6.811 8.889 1.00 0.00 C ATOM 1122 CG PRO A 72 -11.850 -6.708 7.503 1.00 0.00 C ATOM 1123 CD PRO A 72 -12.067 -8.057 6.874 1.00 0.00 C ATOM 0 HA PRO A 72 -13.710 -8.397 9.668 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -12.708 -5.839 9.262 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -11.629 -7.183 9.579 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -12.365 -5.928 6.942 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -10.792 -6.447 7.512 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -12.265 -7.975 5.805 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -11.193 -8.699 6.988 1.00 0.00 H new ATOM 1131 N LYS A 73 -15.729 -7.083 9.619 1.00 0.00 N ATOM 1132 CA LYS A 73 -17.014 -6.395 9.581 1.00 0.00 C ATOM 1133 C LYS A 73 -17.164 -5.455 10.772 1.00 0.00 C ATOM 1134 O LYS A 73 -17.773 -4.391 10.663 1.00 0.00 O ATOM 1135 CB LYS A 73 -18.160 -7.410 9.571 1.00 0.00 C ATOM 1136 CG LYS A 73 -18.197 -8.296 10.804 1.00 0.00 C ATOM 1137 CD LYS A 73 -17.353 -9.546 10.618 1.00 0.00 C ATOM 1138 CE LYS A 73 -16.841 -10.076 11.949 1.00 0.00 C ATOM 1139 NZ LYS A 73 -16.564 -11.538 11.894 1.00 0.00 N ATOM 0 H LYS A 73 -15.557 -7.607 10.477 1.00 0.00 H new ATOM 0 HA LYS A 73 -17.053 -5.803 8.667 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -19.107 -6.876 9.489 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -18.070 -8.038 8.685 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -17.835 -7.736 11.666 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -19.227 -8.580 11.018 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -17.945 -10.315 10.122 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -16.509 -9.323 9.965 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -15.931 -9.544 12.226 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -17.577 -9.875 12.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -16.217 -11.861 12.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -17.438 -12.048 11.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -15.843 -11.728 11.169 1.00 0.00 H new ATOM 1153 N ASN A 74 -16.603 -5.854 11.909 1.00 0.00 N ATOM 1154 CA ASN A 74 -16.673 -5.045 13.121 1.00 0.00 C ATOM 1155 C ASN A 74 -15.839 -3.776 12.978 1.00 0.00 C ATOM 1156 O ASN A 74 -15.087 -3.620 12.016 1.00 0.00 O ATOM 1157 CB ASN A 74 -16.190 -5.854 14.327 1.00 0.00 C ATOM 1158 CG ASN A 74 -16.855 -5.419 15.619 1.00 0.00 C ATOM 1159 OD1 ASN A 74 -17.905 -5.940 15.994 1.00 0.00 O ATOM 1160 ND2 ASN A 74 -16.244 -4.460 16.305 1.00 0.00 N ATOM 0 H ASN A 74 -16.095 -6.732 12.017 1.00 0.00 H new ATOM 0 HA ASN A 74 -17.713 -4.758 13.277 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -16.392 -6.911 14.156 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -15.110 -5.747 14.424 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -16.644 -4.126 17.182 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -15.375 -4.057 15.955 1.00 0.00 H new ATOM 1167 N ARG A 75 -15.977 -2.872 13.942 1.00 0.00 N ATOM 1168 CA ARG A 75 -15.237 -1.616 13.924 1.00 0.00 C ATOM 1169 C ARG A 75 -13.734 -1.870 13.980 1.00 0.00 C ATOM 1170 O ARG A 75 -12.974 -1.342 13.169 1.00 0.00 O ATOM 1171 CB ARG A 75 -15.661 -0.732 15.098 1.00 0.00 C ATOM 1172 CG ARG A 75 -14.697 0.408 15.381 1.00 0.00 C ATOM 1173 CD ARG A 75 -14.803 1.502 14.330 1.00 0.00 C ATOM 1174 NE ARG A 75 -14.434 2.811 14.862 1.00 0.00 N ATOM 1175 CZ ARG A 75 -15.127 3.443 15.803 1.00 0.00 C ATOM 1176 NH1 ARG A 75 -16.218 2.889 16.313 1.00 0.00 N ATOM 1177 NH2 ARG A 75 -14.727 4.632 16.236 1.00 0.00 N ATOM 0 H ARG A 75 -16.595 -2.986 14.746 1.00 0.00 H new ATOM 0 HA ARG A 75 -15.466 -1.102 12.991 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -16.649 -0.319 14.893 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -15.753 -1.349 15.992 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -14.906 0.827 16.366 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -13.677 0.025 15.407 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -14.157 1.258 13.487 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -15.823 1.540 13.949 1.00 0.00 H new ATOM 0 HE ARG A 75 -13.599 3.265 14.491 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -16.528 1.975 15.983 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -16.748 3.377 17.035 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -13.887 5.061 15.846 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -15.259 5.117 16.958 1.00 0.00 H new ATOM 1191 N SER A 76 -13.312 -2.681 14.945 1.00 0.00 N ATOM 1192 CA SER A 76 -11.899 -3.002 15.110 1.00 0.00 C ATOM 1193 C SER A 76 -11.477 -4.108 14.148 1.00 0.00 C ATOM 1194 O SER A 76 -10.330 -4.152 13.702 1.00 0.00 O ATOM 1195 CB SER A 76 -11.617 -3.430 16.552 1.00 0.00 C ATOM 1196 OG SER A 76 -11.822 -4.822 16.720 1.00 0.00 O ATOM 0 H SER A 76 -13.928 -3.128 15.624 1.00 0.00 H new ATOM 0 HA SER A 76 -11.320 -2.107 14.884 1.00 0.00 H new ATOM 0 HB2 SER A 76 -10.590 -3.176 16.816 1.00 0.00 H new ATOM 0 HB3 SER A 76 -12.267 -2.879 17.232 1.00 0.00 H new ATOM 0 HG SER A 76 -11.634 -5.071 17.649 1.00 0.00 H new ATOM 1202 N GLN A 77 -12.412 -4.998 13.832 1.00 0.00 N ATOM 1203 CA GLN A 77 -12.136 -6.104 12.923 1.00 0.00 C ATOM 1204 C GLN A 77 -11.278 -5.644 11.749 1.00 0.00 C ATOM 1205 O GLN A 77 -10.390 -6.367 11.297 1.00 0.00 O ATOM 1206 CB GLN A 77 -13.445 -6.706 12.408 1.00 0.00 C ATOM 1207 CG GLN A 77 -14.004 -7.801 13.301 1.00 0.00 C ATOM 1208 CD GLN A 77 -13.250 -9.109 13.164 1.00 0.00 C ATOM 1209 OE1 GLN A 77 -13.415 -9.835 12.183 1.00 0.00 O ATOM 1210 NE2 GLN A 77 -12.415 -9.417 14.150 1.00 0.00 N ATOM 0 H GLN A 77 -13.366 -4.975 14.192 1.00 0.00 H new ATOM 0 HA GLN A 77 -11.585 -6.866 13.475 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -14.187 -5.913 12.312 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -13.281 -7.111 11.410 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -13.967 -7.472 14.339 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -15.053 -7.964 13.056 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -12.309 -8.786 14.944 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -11.880 -10.284 14.113 1.00 0.00 H new ATOM 1219 N MET A 78 -11.549 -4.438 11.262 1.00 0.00 N ATOM 1220 CA MET A 78 -10.800 -3.882 10.141 1.00 0.00 C ATOM 1221 C MET A 78 -9.439 -3.365 10.599 1.00 0.00 C ATOM 1222 O MET A 78 -8.453 -3.454 9.867 1.00 0.00 O ATOM 1223 CB MET A 78 -11.592 -2.751 9.482 1.00 0.00 C ATOM 1224 CG MET A 78 -12.878 -3.216 8.820 1.00 0.00 C ATOM 1225 SD MET A 78 -13.852 -1.850 8.159 1.00 0.00 S ATOM 1226 CE MET A 78 -15.490 -2.294 8.731 1.00 0.00 C ATOM 0 H MET A 78 -12.281 -3.827 11.625 1.00 0.00 H new ATOM 0 HA MET A 78 -10.641 -4.677 9.413 1.00 0.00 H new ATOM 0 HB2 MET A 78 -11.831 -2.000 10.235 1.00 0.00 H new ATOM 0 HB3 MET A 78 -10.964 -2.265 8.735 1.00 0.00 H new ATOM 0 HG2 MET A 78 -12.637 -3.909 8.014 1.00 0.00 H new ATOM 0 HG3 MET A 78 -13.477 -3.767 9.545 1.00 0.00 H new ATOM 0 HE1 MET A 78 -16.207 -1.542 8.400 1.00 0.00 H new ATOM 0 HE2 MET A 78 -15.768 -3.265 8.321 1.00 0.00 H new ATOM 0 HE3 MET A 78 -15.494 -2.345 9.820 1.00 0.00 H new ATOM 1236 N ILE A 79 -9.394 -2.827 11.813 1.00 0.00 N ATOM 1237 CA ILE A 79 -8.154 -2.298 12.367 1.00 0.00 C ATOM 1238 C ILE A 79 -7.061 -3.360 12.381 1.00 0.00 C ATOM 1239 O ILE A 79 -5.971 -3.150 11.849 1.00 0.00 O ATOM 1240 CB ILE A 79 -8.359 -1.769 13.799 1.00 0.00 C ATOM 1241 CG1 ILE A 79 -9.287 -0.552 13.789 1.00 0.00 C ATOM 1242 CG2 ILE A 79 -7.020 -1.415 14.429 1.00 0.00 C ATOM 1243 CD1 ILE A 79 -8.646 0.692 13.215 1.00 0.00 C ATOM 0 H ILE A 79 -10.201 -2.746 12.431 1.00 0.00 H new ATOM 0 HA ILE A 79 -7.847 -1.473 11.724 1.00 0.00 H new ATOM 0 HB ILE A 79 -8.825 -2.553 14.397 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -10.180 -0.791 13.211 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -9.613 -0.346 14.808 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -7.181 -1.043 15.441 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -6.389 -2.303 14.465 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -6.530 -0.645 13.833 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -9.361 1.514 13.239 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -7.769 0.956 13.807 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -8.345 0.504 12.184 1.00 0.00 H new ATOM 1255 N GLU A 80 -7.360 -4.502 12.993 1.00 0.00 N ATOM 1256 CA GLU A 80 -6.402 -5.598 13.075 1.00 0.00 C ATOM 1257 C GLU A 80 -5.684 -5.794 11.743 1.00 0.00 C ATOM 1258 O GLU A 80 -4.457 -5.741 11.674 1.00 0.00 O ATOM 1259 CB GLU A 80 -7.108 -6.893 13.481 1.00 0.00 C ATOM 1260 CG GLU A 80 -7.417 -6.978 14.967 1.00 0.00 C ATOM 1261 CD GLU A 80 -8.376 -8.104 15.300 1.00 0.00 C ATOM 1262 OE1 GLU A 80 -9.426 -8.206 14.631 1.00 0.00 O ATOM 1263 OE2 GLU A 80 -8.077 -8.884 16.228 1.00 0.00 O ATOM 0 H GLU A 80 -8.258 -4.692 13.439 1.00 0.00 H new ATOM 0 HA GLU A 80 -5.662 -5.343 13.833 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -8.038 -6.981 12.919 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -6.484 -7.741 13.199 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -6.489 -7.121 15.520 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -7.844 -6.032 15.300 1.00 0.00 H new ATOM 1270 N ASN A 81 -6.459 -6.020 10.687 1.00 0.00 N ATOM 1271 CA ASN A 81 -5.898 -6.225 9.357 1.00 0.00 C ATOM 1272 C ASN A 81 -4.721 -5.285 9.112 1.00 0.00 C ATOM 1273 O ASN A 81 -3.568 -5.716 9.071 1.00 0.00 O ATOM 1274 CB ASN A 81 -6.971 -6.006 8.289 1.00 0.00 C ATOM 1275 CG ASN A 81 -7.975 -7.141 8.236 1.00 0.00 C ATOM 1276 OD1 ASN A 81 -8.190 -7.841 9.226 1.00 0.00 O ATOM 1277 ND2 ASN A 81 -8.597 -7.328 7.078 1.00 0.00 N ATOM 0 H ASN A 81 -7.477 -6.066 10.727 1.00 0.00 H new ATOM 0 HA ASN A 81 -5.538 -7.252 9.296 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -7.494 -5.071 8.490 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -6.494 -5.901 7.315 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -9.284 -8.076 6.983 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -8.388 -6.724 6.283 1.00 0.00 H new ATOM 1284 N ILE A 82 -5.021 -4.001 8.951 1.00 0.00 N ATOM 1285 CA ILE A 82 -3.988 -3.000 8.712 1.00 0.00 C ATOM 1286 C ILE A 82 -2.838 -3.150 9.702 1.00 0.00 C ATOM 1287 O ILE A 82 -1.673 -2.970 9.348 1.00 0.00 O ATOM 1288 CB ILE A 82 -4.554 -1.572 8.813 1.00 0.00 C ATOM 1289 CG1 ILE A 82 -5.668 -1.367 7.784 1.00 0.00 C ATOM 1290 CG2 ILE A 82 -3.447 -0.548 8.613 1.00 0.00 C ATOM 1291 CD1 ILE A 82 -6.671 -0.307 8.182 1.00 0.00 C ATOM 0 H ILE A 82 -5.970 -3.629 8.982 1.00 0.00 H new ATOM 0 HA ILE A 82 -3.617 -3.164 7.700 1.00 0.00 H new ATOM 0 HB ILE A 82 -4.975 -1.434 9.809 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -5.222 -1.093 6.828 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -6.190 -2.312 7.633 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -3.863 0.457 8.687 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -2.684 -0.682 9.380 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -3.000 -0.684 7.628 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -7.431 -0.216 7.406 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -7.144 -0.589 9.123 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -6.161 0.649 8.305 1.00 0.00 H new ATOM 1303 N ASP A 83 -3.173 -3.483 10.944 1.00 0.00 N ATOM 1304 CA ASP A 83 -2.168 -3.661 11.985 1.00 0.00 C ATOM 1305 C ASP A 83 -1.172 -4.750 11.599 1.00 0.00 C ATOM 1306 O ASP A 83 0.040 -4.552 11.677 1.00 0.00 O ATOM 1307 CB ASP A 83 -2.837 -4.012 13.315 1.00 0.00 C ATOM 1308 CG ASP A 83 -2.045 -3.520 14.510 1.00 0.00 C ATOM 1309 OD1 ASP A 83 -1.866 -2.291 14.637 1.00 0.00 O ATOM 1310 OD2 ASP A 83 -1.604 -4.364 15.318 1.00 0.00 O ATOM 0 H ASP A 83 -4.133 -3.635 11.254 1.00 0.00 H new ATOM 0 HA ASP A 83 -1.626 -2.722 12.097 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -3.836 -3.577 13.341 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -2.958 -5.093 13.383 1.00 0.00 H new ATOM 1315 N ALA A 84 -1.692 -5.900 11.185 1.00 0.00 N ATOM 1316 CA ALA A 84 -0.849 -7.020 10.786 1.00 0.00 C ATOM 1317 C ALA A 84 0.190 -6.586 9.757 1.00 0.00 C ATOM 1318 O ALA A 84 1.367 -6.932 9.865 1.00 0.00 O ATOM 1319 CB ALA A 84 -1.701 -8.152 10.233 1.00 0.00 C ATOM 0 H ALA A 84 -2.694 -6.081 11.117 1.00 0.00 H new ATOM 0 HA ALA A 84 -0.320 -7.377 11.670 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -1.058 -8.981 9.939 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -2.400 -8.489 10.998 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -2.257 -7.798 9.364 1.00 0.00 H new ATOM 1325 N CYS A 85 -0.253 -5.829 8.760 1.00 0.00 N ATOM 1326 CA CYS A 85 0.639 -5.349 7.710 1.00 0.00 C ATOM 1327 C CYS A 85 1.764 -4.503 8.297 1.00 0.00 C ATOM 1328 O CYS A 85 2.924 -4.637 7.906 1.00 0.00 O ATOM 1329 CB CYS A 85 -0.145 -4.534 6.680 1.00 0.00 C ATOM 1330 SG CYS A 85 -1.516 -5.431 5.916 1.00 0.00 S ATOM 0 H CYS A 85 -1.224 -5.534 8.656 1.00 0.00 H new ATOM 0 HA CYS A 85 1.080 -6.215 7.217 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -0.535 -3.638 7.163 1.00 0.00 H new ATOM 0 HB3 CYS A 85 0.539 -4.203 5.898 1.00 0.00 H new ATOM 0 HG CYS A 85 -2.457 -4.594 5.595 1.00 0.00 H new ATOM 1336 N LEU A 86 1.413 -3.631 9.236 1.00 0.00 N ATOM 1337 CA LEU A 86 2.394 -2.761 9.876 1.00 0.00 C ATOM 1338 C LEU A 86 3.423 -3.578 10.651 1.00 0.00 C ATOM 1339 O LEU A 86 4.623 -3.323 10.565 1.00 0.00 O ATOM 1340 CB LEU A 86 1.694 -1.777 10.816 1.00 0.00 C ATOM 1341 CG LEU A 86 0.656 -0.857 10.173 1.00 0.00 C ATOM 1342 CD1 LEU A 86 -0.058 -0.035 11.234 1.00 0.00 C ATOM 1343 CD2 LEU A 86 1.312 0.051 9.143 1.00 0.00 C ATOM 0 H LEU A 86 0.457 -3.508 9.571 1.00 0.00 H new ATOM 0 HA LEU A 86 2.913 -2.204 9.096 1.00 0.00 H new ATOM 0 HB2 LEU A 86 1.205 -2.346 11.607 1.00 0.00 H new ATOM 0 HB3 LEU A 86 2.454 -1.157 11.292 1.00 0.00 H new ATOM 0 HG LEU A 86 -0.083 -1.475 9.663 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -0.793 0.614 10.758 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -0.562 -0.702 11.933 1.00 0.00 H new ATOM 0 HD13 LEU A 86 0.668 0.574 11.773 1.00 0.00 H new ATOM 0 HD21 LEU A 86 0.558 0.699 8.696 1.00 0.00 H new ATOM 0 HD22 LEU A 86 2.073 0.662 9.629 1.00 0.00 H new ATOM 0 HD23 LEU A 86 1.776 -0.556 8.366 1.00 0.00 H new ATOM 1355 N ASN A 87 2.944 -4.561 11.405 1.00 0.00 N ATOM 1356 CA ASN A 87 3.823 -5.417 12.194 1.00 0.00 C ATOM 1357 C ASN A 87 4.647 -6.330 11.290 1.00 0.00 C ATOM 1358 O ASN A 87 5.809 -6.620 11.577 1.00 0.00 O ATOM 1359 CB ASN A 87 3.004 -6.258 13.176 1.00 0.00 C ATOM 1360 CG ASN A 87 2.307 -5.409 14.222 1.00 0.00 C ATOM 1361 OD1 ASN A 87 2.944 -4.881 15.133 1.00 0.00 O ATOM 1362 ND2 ASN A 87 0.992 -5.275 14.094 1.00 0.00 N ATOM 0 H ASN A 87 1.952 -4.785 11.487 1.00 0.00 H new ATOM 0 HA ASN A 87 4.505 -4.777 12.755 1.00 0.00 H new ATOM 0 HB2 ASN A 87 2.261 -6.834 12.625 1.00 0.00 H new ATOM 0 HB3 ASN A 87 3.659 -6.975 13.671 1.00 0.00 H new ATOM 0 HD21 ASN A 87 0.468 -4.716 14.767 1.00 0.00 H new ATOM 0 HD22 ASN A 87 0.506 -5.731 13.322 1.00 0.00 H new ATOM 1369 N PHE A 88 4.039 -6.778 10.198 1.00 0.00 N ATOM 1370 CA PHE A 88 4.716 -7.658 9.252 1.00 0.00 C ATOM 1371 C PHE A 88 5.844 -6.921 8.536 1.00 0.00 C ATOM 1372 O PHE A 88 6.923 -7.476 8.319 1.00 0.00 O ATOM 1373 CB PHE A 88 3.719 -8.205 8.228 1.00 0.00 C ATOM 1374 CG PHE A 88 4.372 -8.786 7.007 1.00 0.00 C ATOM 1375 CD1 PHE A 88 4.777 -7.967 5.965 1.00 0.00 C ATOM 1376 CD2 PHE A 88 4.581 -10.152 6.900 1.00 0.00 C ATOM 1377 CE1 PHE A 88 5.378 -8.498 4.840 1.00 0.00 C ATOM 1378 CE2 PHE A 88 5.182 -10.689 5.778 1.00 0.00 C ATOM 1379 CZ PHE A 88 5.581 -9.861 4.746 1.00 0.00 C ATOM 0 H PHE A 88 3.078 -6.547 9.945 1.00 0.00 H new ATOM 0 HA PHE A 88 5.145 -8.490 9.811 1.00 0.00 H new ATOM 0 HB2 PHE A 88 3.107 -8.972 8.703 1.00 0.00 H new ATOM 0 HB3 PHE A 88 3.046 -7.403 7.924 1.00 0.00 H new ATOM 0 HD1 PHE A 88 4.621 -6.901 6.033 1.00 0.00 H new ATOM 0 HD2 PHE A 88 4.270 -10.804 7.703 1.00 0.00 H new ATOM 0 HE1 PHE A 88 5.689 -7.848 4.035 1.00 0.00 H new ATOM 0 HE2 PHE A 88 5.340 -11.755 5.707 1.00 0.00 H new ATOM 0 HZ PHE A 88 6.051 -10.279 3.868 1.00 0.00 H new ATOM 1389 N LEU A 89 5.589 -5.670 8.173 1.00 0.00 N ATOM 1390 CA LEU A 89 6.582 -4.856 7.481 1.00 0.00 C ATOM 1391 C LEU A 89 7.740 -4.503 8.410 1.00 0.00 C ATOM 1392 O LEU A 89 8.904 -4.560 8.016 1.00 0.00 O ATOM 1393 CB LEU A 89 5.938 -3.577 6.942 1.00 0.00 C ATOM 1394 CG LEU A 89 4.945 -3.759 5.793 1.00 0.00 C ATOM 1395 CD1 LEU A 89 4.214 -2.456 5.509 1.00 0.00 C ATOM 1396 CD2 LEU A 89 5.659 -4.255 4.545 1.00 0.00 C ATOM 0 H LEU A 89 4.702 -5.196 8.346 1.00 0.00 H new ATOM 0 HA LEU A 89 6.973 -5.437 6.646 1.00 0.00 H new ATOM 0 HB2 LEU A 89 5.425 -3.078 7.764 1.00 0.00 H new ATOM 0 HB3 LEU A 89 6.731 -2.908 6.608 1.00 0.00 H new ATOM 0 HG LEU A 89 4.210 -4.508 6.088 1.00 0.00 H new ATOM 0 HD11 LEU A 89 3.512 -2.604 4.689 1.00 0.00 H new ATOM 0 HD12 LEU A 89 3.670 -2.142 6.400 1.00 0.00 H new ATOM 0 HD13 LEU A 89 4.935 -1.686 5.234 1.00 0.00 H new ATOM 0 HD21 LEU A 89 4.937 -4.379 3.738 1.00 0.00 H new ATOM 0 HD22 LEU A 89 6.416 -3.530 4.247 1.00 0.00 H new ATOM 0 HD23 LEU A 89 6.136 -5.212 4.755 1.00 0.00 H new ATOM 1408 N ALA A 90 7.411 -4.140 9.645 1.00 0.00 N ATOM 1409 CA ALA A 90 8.423 -3.783 10.631 1.00 0.00 C ATOM 1410 C ALA A 90 9.481 -4.874 10.752 1.00 0.00 C ATOM 1411 O ALA A 90 10.679 -4.592 10.761 1.00 0.00 O ATOM 1412 CB ALA A 90 7.774 -3.522 11.982 1.00 0.00 C ATOM 0 H ALA A 90 6.451 -4.085 9.987 1.00 0.00 H new ATOM 0 HA ALA A 90 8.917 -2.871 10.295 1.00 0.00 H new ATOM 0 HB1 ALA A 90 8.541 -3.256 12.709 1.00 0.00 H new ATOM 0 HB2 ALA A 90 7.061 -2.702 11.891 1.00 0.00 H new ATOM 0 HB3 ALA A 90 7.254 -4.420 12.315 1.00 0.00 H new ATOM 1418 N ALA A 91 9.030 -6.121 10.847 1.00 0.00 N ATOM 1419 CA ALA A 91 9.939 -7.254 10.966 1.00 0.00 C ATOM 1420 C ALA A 91 10.930 -7.288 9.807 1.00 0.00 C ATOM 1421 O ALA A 91 11.974 -7.935 9.888 1.00 0.00 O ATOM 1422 CB ALA A 91 9.154 -8.556 11.030 1.00 0.00 C ATOM 0 H ALA A 91 8.041 -6.372 10.844 1.00 0.00 H new ATOM 0 HA ALA A 91 10.505 -7.138 11.890 1.00 0.00 H new ATOM 0 HB1 ALA A 91 9.846 -9.394 11.119 1.00 0.00 H new ATOM 0 HB2 ALA A 91 8.491 -8.539 11.895 1.00 0.00 H new ATOM 0 HB3 ALA A 91 8.562 -8.669 10.122 1.00 0.00 H new ATOM 1428 N LYS A 92 10.595 -6.588 8.729 1.00 0.00 N ATOM 1429 CA LYS A 92 11.456 -6.537 7.552 1.00 0.00 C ATOM 1430 C LYS A 92 12.463 -5.397 7.664 1.00 0.00 C ATOM 1431 O LYS A 92 13.467 -5.371 6.954 1.00 0.00 O ATOM 1432 CB LYS A 92 10.613 -6.365 6.286 1.00 0.00 C ATOM 1433 CG LYS A 92 9.604 -7.480 6.071 1.00 0.00 C ATOM 1434 CD LYS A 92 10.252 -8.707 5.451 1.00 0.00 C ATOM 1435 CE LYS A 92 9.212 -9.732 5.026 1.00 0.00 C ATOM 1436 NZ LYS A 92 9.674 -10.541 3.864 1.00 0.00 N ATOM 0 H LYS A 92 9.734 -6.048 8.645 1.00 0.00 H new ATOM 0 HA LYS A 92 12.004 -7.477 7.492 1.00 0.00 H new ATOM 0 HB2 LYS A 92 10.084 -5.413 6.338 1.00 0.00 H new ATOM 0 HB3 LYS A 92 11.276 -6.315 5.422 1.00 0.00 H new ATOM 0 HG2 LYS A 92 9.150 -7.750 7.024 1.00 0.00 H new ATOM 0 HG3 LYS A 92 8.801 -7.126 5.425 1.00 0.00 H new ATOM 0 HD2 LYS A 92 10.845 -8.409 4.586 1.00 0.00 H new ATOM 0 HD3 LYS A 92 10.938 -9.159 6.168 1.00 0.00 H new ATOM 0 HE2 LYS A 92 8.990 -10.393 5.864 1.00 0.00 H new ATOM 0 HE3 LYS A 92 8.284 -9.222 4.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 8.886 -11.119 3.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 10.006 -9.907 3.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 10.453 -11.163 4.162 1.00 0.00 H new ATOM 1450 N GLY A 93 12.187 -4.455 8.561 1.00 0.00 N ATOM 1451 CA GLY A 93 13.080 -3.326 8.750 1.00 0.00 C ATOM 1452 C GLY A 93 12.459 -2.016 8.309 1.00 0.00 C ATOM 1453 O GLY A 93 13.164 -1.097 7.892 1.00 0.00 O ATOM 0 H GLY A 93 11.361 -4.453 9.160 1.00 0.00 H new ATOM 0 HA2 GLY A 93 13.356 -3.258 9.802 1.00 0.00 H new ATOM 0 HA3 GLY A 93 13.999 -3.496 8.189 1.00 0.00 H new ATOM 1457 N ILE A 94 11.136 -1.931 8.398 1.00 0.00 N ATOM 1458 CA ILE A 94 10.420 -0.723 8.003 1.00 0.00 C ATOM 1459 C ILE A 94 9.783 -0.043 9.210 1.00 0.00 C ATOM 1460 O ILE A 94 9.212 -0.703 10.078 1.00 0.00 O ATOM 1461 CB ILE A 94 9.327 -1.031 6.964 1.00 0.00 C ATOM 1462 CG1 ILE A 94 9.934 -1.724 5.742 1.00 0.00 C ATOM 1463 CG2 ILE A 94 8.611 0.247 6.554 1.00 0.00 C ATOM 1464 CD1 ILE A 94 8.902 -2.205 4.746 1.00 0.00 C ATOM 0 H ILE A 94 10.538 -2.683 8.740 1.00 0.00 H new ATOM 0 HA ILE A 94 11.154 -0.052 7.557 1.00 0.00 H new ATOM 0 HB ILE A 94 8.598 -1.704 7.415 1.00 0.00 H new ATOM 0 HG12 ILE A 94 10.614 -1.034 5.243 1.00 0.00 H new ATOM 0 HG13 ILE A 94 10.530 -2.574 6.075 1.00 0.00 H new ATOM 0 HG21 ILE A 94 7.841 0.013 5.819 1.00 0.00 H new ATOM 0 HG22 ILE A 94 8.150 0.703 7.430 1.00 0.00 H new ATOM 0 HG23 ILE A 94 9.329 0.942 6.119 1.00 0.00 H new ATOM 0 HD11 ILE A 94 9.403 -2.686 3.906 1.00 0.00 H new ATOM 0 HD12 ILE A 94 8.236 -2.920 5.229 1.00 0.00 H new ATOM 0 HD13 ILE A 94 8.322 -1.356 4.384 1.00 0.00 H new ATOM 1526 N GLY A 98 5.380 5.349 13.528 1.00 0.00 N ATOM 1527 CA GLY A 98 4.774 6.595 13.098 1.00 0.00 C ATOM 1528 C GLY A 98 3.383 6.397 12.529 1.00 0.00 C ATOM 1529 O GLY A 98 2.456 7.138 12.861 1.00 0.00 O ATOM 0 HA2 GLY A 98 4.723 7.281 13.943 1.00 0.00 H new ATOM 0 HA3 GLY A 98 5.408 7.063 12.345 1.00 0.00 H new ATOM 1533 N LEU A 99 3.234 5.396 11.669 1.00 0.00 N ATOM 1534 CA LEU A 99 1.946 5.103 11.051 1.00 0.00 C ATOM 1535 C LEU A 99 0.886 4.816 12.110 1.00 0.00 C ATOM 1536 O LEU A 99 1.199 4.668 13.291 1.00 0.00 O ATOM 1537 CB LEU A 99 2.073 3.908 10.103 1.00 0.00 C ATOM 1538 CG LEU A 99 3.153 4.017 9.026 1.00 0.00 C ATOM 1539 CD1 LEU A 99 3.329 2.687 8.311 1.00 0.00 C ATOM 1540 CD2 LEU A 99 2.807 5.117 8.034 1.00 0.00 C ATOM 0 H LEU A 99 3.990 4.773 11.384 1.00 0.00 H new ATOM 0 HA LEU A 99 1.636 5.980 10.482 1.00 0.00 H new ATOM 0 HB2 LEU A 99 2.271 3.017 10.699 1.00 0.00 H new ATOM 0 HB3 LEU A 99 1.112 3.756 9.611 1.00 0.00 H new ATOM 0 HG LEU A 99 4.096 4.274 9.508 1.00 0.00 H new ATOM 0 HD11 LEU A 99 4.101 2.783 7.548 1.00 0.00 H new ATOM 0 HD12 LEU A 99 3.623 1.923 9.031 1.00 0.00 H new ATOM 0 HD13 LEU A 99 2.389 2.399 7.841 1.00 0.00 H new ATOM 0 HD21 LEU A 99 3.586 5.181 7.275 1.00 0.00 H new ATOM 0 HD22 LEU A 99 1.853 4.890 7.557 1.00 0.00 H new ATOM 0 HD23 LEU A 99 2.733 6.070 8.558 1.00 0.00 H new ATOM 1552 N SER A 100 -0.368 4.737 11.678 1.00 0.00 N ATOM 1553 CA SER A 100 -1.475 4.469 12.590 1.00 0.00 C ATOM 1554 C SER A 100 -2.590 3.707 11.881 1.00 0.00 C ATOM 1555 O SER A 100 -3.254 4.240 10.992 1.00 0.00 O ATOM 1556 CB SER A 100 -2.021 5.779 13.161 1.00 0.00 C ATOM 1557 OG SER A 100 -1.180 6.277 14.188 1.00 0.00 O ATOM 0 H SER A 100 -0.644 4.855 10.703 1.00 0.00 H new ATOM 0 HA SER A 100 -1.100 3.853 13.407 1.00 0.00 H new ATOM 0 HB2 SER A 100 -2.106 6.519 12.365 1.00 0.00 H new ATOM 0 HB3 SER A 100 -3.025 5.618 13.555 1.00 0.00 H new ATOM 0 HG SER A 100 -0.310 5.827 14.145 1.00 0.00 H new ATOM 1563 N ALA A 101 -2.790 2.456 12.281 1.00 0.00 N ATOM 1564 CA ALA A 101 -3.825 1.619 11.687 1.00 0.00 C ATOM 1565 C ALA A 101 -5.153 2.365 11.605 1.00 0.00 C ATOM 1566 O ALA A 101 -5.772 2.433 10.544 1.00 0.00 O ATOM 1567 CB ALA A 101 -3.988 0.334 12.485 1.00 0.00 C ATOM 0 H ALA A 101 -2.248 1.999 13.015 1.00 0.00 H new ATOM 0 HA ALA A 101 -3.516 1.366 10.673 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -4.764 -0.281 12.030 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -3.046 -0.214 12.488 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -4.271 0.575 13.510 1.00 0.00 H new ATOM 1573 N GLU A 102 -5.585 2.921 12.732 1.00 0.00 N ATOM 1574 CA GLU A 102 -6.841 3.660 12.787 1.00 0.00 C ATOM 1575 C GLU A 102 -6.914 4.692 11.665 1.00 0.00 C ATOM 1576 O GLU A 102 -7.837 4.675 10.852 1.00 0.00 O ATOM 1577 CB GLU A 102 -6.992 4.353 14.142 1.00 0.00 C ATOM 1578 CG GLU A 102 -8.432 4.683 14.500 1.00 0.00 C ATOM 1579 CD GLU A 102 -8.655 4.772 15.997 1.00 0.00 C ATOM 1580 OE1 GLU A 102 -7.963 4.050 16.744 1.00 0.00 O ATOM 1581 OE2 GLU A 102 -9.524 5.563 16.421 1.00 0.00 O ATOM 0 H GLU A 102 -5.084 2.874 13.619 1.00 0.00 H new ATOM 0 HA GLU A 102 -7.657 2.949 12.658 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -6.571 3.712 14.917 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -6.408 5.273 14.137 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -8.709 5.631 14.038 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -9.090 3.921 14.083 1.00 0.00 H new ATOM 1588 N GLU A 103 -5.933 5.589 11.629 1.00 0.00 N ATOM 1589 CA GLU A 103 -5.888 6.630 10.608 1.00 0.00 C ATOM 1590 C GLU A 103 -6.068 6.033 9.215 1.00 0.00 C ATOM 1591 O GLU A 103 -6.963 6.432 8.469 1.00 0.00 O ATOM 1592 CB GLU A 103 -4.561 7.389 10.682 1.00 0.00 C ATOM 1593 CG GLU A 103 -4.376 8.166 11.974 1.00 0.00 C ATOM 1594 CD GLU A 103 -5.187 9.447 12.006 1.00 0.00 C ATOM 1595 OE1 GLU A 103 -6.431 9.358 12.075 1.00 0.00 O ATOM 1596 OE2 GLU A 103 -4.580 10.537 11.963 1.00 0.00 O ATOM 0 H GLU A 103 -5.160 5.616 12.294 1.00 0.00 H new ATOM 0 HA GLU A 103 -6.707 7.324 10.796 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -3.740 6.680 10.573 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -4.499 8.079 9.841 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -4.664 7.537 12.816 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -3.320 8.406 12.101 1.00 0.00 H new ATOM 1603 N ILE A 104 -5.212 5.077 8.872 1.00 0.00 N ATOM 1604 CA ILE A 104 -5.277 4.425 7.570 1.00 0.00 C ATOM 1605 C ILE A 104 -6.701 3.989 7.244 1.00 0.00 C ATOM 1606 O ILE A 104 -7.184 4.193 6.130 1.00 0.00 O ATOM 1607 CB ILE A 104 -4.349 3.197 7.508 1.00 0.00 C ATOM 1608 CG1 ILE A 104 -2.901 3.611 7.775 1.00 0.00 C ATOM 1609 CG2 ILE A 104 -4.469 2.511 6.155 1.00 0.00 C ATOM 1610 CD1 ILE A 104 -1.905 2.491 7.572 1.00 0.00 C ATOM 0 H ILE A 104 -4.465 4.737 9.478 1.00 0.00 H new ATOM 0 HA ILE A 104 -4.946 5.157 6.834 1.00 0.00 H new ATOM 0 HB ILE A 104 -4.653 2.490 8.280 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -2.642 4.441 7.117 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -2.819 3.978 8.798 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -3.807 1.645 6.126 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -5.498 2.187 6.002 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -4.187 3.209 5.367 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -0.899 2.857 7.779 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -2.139 1.669 8.249 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -1.958 2.139 6.542 1.00 0.00 H new ATOM 1622 N ARG A 105 -7.370 3.389 8.224 1.00 0.00 N ATOM 1623 CA ARG A 105 -8.740 2.925 8.041 1.00 0.00 C ATOM 1624 C ARG A 105 -9.661 4.083 7.671 1.00 0.00 C ATOM 1625 O ARG A 105 -10.620 3.910 6.920 1.00 0.00 O ATOM 1626 CB ARG A 105 -9.244 2.245 9.316 1.00 0.00 C ATOM 1627 CG ARG A 105 -10.759 2.201 9.424 1.00 0.00 C ATOM 1628 CD ARG A 105 -11.223 1.035 10.282 1.00 0.00 C ATOM 1629 NE ARG A 105 -12.546 1.269 10.855 1.00 0.00 N ATOM 1630 CZ ARG A 105 -13.671 1.225 10.148 1.00 0.00 C ATOM 1631 NH1 ARG A 105 -13.632 0.957 8.850 1.00 0.00 N ATOM 1632 NH2 ARG A 105 -14.837 1.449 10.741 1.00 0.00 N ATOM 0 H ARG A 105 -6.985 3.213 9.152 1.00 0.00 H new ATOM 0 HA ARG A 105 -8.747 2.203 7.224 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -8.856 1.227 9.353 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -8.842 2.771 10.182 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -11.122 3.136 9.852 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -11.193 2.117 8.428 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -11.245 0.127 9.679 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -10.505 0.867 11.085 1.00 0.00 H new ATOM 0 HE ARG A 105 -12.610 1.477 11.851 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -12.737 0.784 8.392 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -14.497 0.924 8.310 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -14.870 1.655 11.739 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -15.700 1.415 10.198 1.00 0.00 H new ATOM 1646 N ASN A 106 -9.364 5.263 8.205 1.00 0.00 N ATOM 1647 CA ASN A 106 -10.166 6.450 7.931 1.00 0.00 C ATOM 1648 C ASN A 106 -9.885 6.987 6.531 1.00 0.00 C ATOM 1649 O ASN A 106 -10.658 7.776 5.990 1.00 0.00 O ATOM 1650 CB ASN A 106 -9.881 7.535 8.972 1.00 0.00 C ATOM 1651 CG ASN A 106 -10.680 7.338 10.246 1.00 0.00 C ATOM 1652 OD1 ASN A 106 -11.908 7.259 10.216 1.00 0.00 O ATOM 1653 ND2 ASN A 106 -9.984 7.257 11.374 1.00 0.00 N ATOM 0 H ASN A 106 -8.574 5.423 8.830 1.00 0.00 H new ATOM 0 HA ASN A 106 -11.217 6.168 7.988 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -8.817 7.536 9.210 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -10.114 8.512 8.548 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -10.467 7.124 12.263 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -8.967 7.328 11.352 1.00 0.00 H new ATOM 1660 N GLY A 107 -8.771 6.551 5.949 1.00 0.00 N ATOM 1661 CA GLY A 107 -8.407 6.998 4.617 1.00 0.00 C ATOM 1662 C GLY A 107 -7.609 8.286 4.635 1.00 0.00 C ATOM 1663 O GLY A 107 -7.637 9.055 3.675 1.00 0.00 O ATOM 0 H GLY A 107 -8.115 5.897 6.376 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -7.825 6.220 4.123 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -9.311 7.143 4.026 1.00 0.00 H new ATOM 1667 N ASN A 108 -6.896 8.524 5.732 1.00 0.00 N ATOM 1668 CA ASN A 108 -6.089 9.730 5.872 1.00 0.00 C ATOM 1669 C ASN A 108 -4.864 9.673 4.964 1.00 0.00 C ATOM 1670 O ASN A 108 -3.867 9.026 5.287 1.00 0.00 O ATOM 1671 CB ASN A 108 -5.651 9.909 7.327 1.00 0.00 C ATOM 1672 CG ASN A 108 -5.195 11.325 7.624 1.00 0.00 C ATOM 1673 OD1 ASN A 108 -5.916 12.288 7.362 1.00 0.00 O ATOM 1674 ND2 ASN A 108 -3.994 11.457 8.173 1.00 0.00 N ATOM 0 H ASN A 108 -6.861 7.897 6.536 1.00 0.00 H new ATOM 0 HA ASN A 108 -6.700 10.583 5.576 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -6.479 9.651 7.987 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -4.840 9.215 7.547 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -3.634 12.385 8.395 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -3.431 10.630 8.373 1.00 0.00 H new ATOM 1681 N LEU A 109 -4.946 10.355 3.827 1.00 0.00 N ATOM 1682 CA LEU A 109 -3.844 10.383 2.871 1.00 0.00 C ATOM 1683 C LEU A 109 -2.500 10.422 3.590 1.00 0.00 C ATOM 1684 O LEU A 109 -1.681 9.514 3.448 1.00 0.00 O ATOM 1685 CB LEU A 109 -3.976 11.595 1.946 1.00 0.00 C ATOM 1686 CG LEU A 109 -3.407 11.429 0.537 1.00 0.00 C ATOM 1687 CD1 LEU A 109 -4.233 10.430 -0.258 1.00 0.00 C ATOM 1688 CD2 LEU A 109 -3.355 12.771 -0.179 1.00 0.00 C ATOM 0 H LEU A 109 -5.763 10.896 3.544 1.00 0.00 H new ATOM 0 HA LEU A 109 -3.890 9.472 2.275 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -5.033 11.849 1.862 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -3.481 12.443 2.419 1.00 0.00 H new ATOM 0 HG LEU A 109 -2.390 11.044 0.619 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -3.813 10.325 -1.258 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -4.218 9.463 0.245 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -5.261 10.785 -0.332 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -2.947 12.634 -1.180 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -4.361 13.185 -0.250 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -2.719 13.457 0.380 1.00 0.00 H new ATOM 1700 N LYS A 110 -2.280 11.479 4.365 1.00 0.00 N ATOM 1701 CA LYS A 110 -1.037 11.636 5.111 1.00 0.00 C ATOM 1702 C LYS A 110 -0.540 10.291 5.630 1.00 0.00 C ATOM 1703 O LYS A 110 0.657 10.009 5.606 1.00 0.00 O ATOM 1704 CB LYS A 110 -1.238 12.603 6.279 1.00 0.00 C ATOM 1705 CG LYS A 110 -0.975 14.055 5.919 1.00 0.00 C ATOM 1706 CD LYS A 110 0.514 14.351 5.849 1.00 0.00 C ATOM 1707 CE LYS A 110 0.797 15.593 5.016 1.00 0.00 C ATOM 1708 NZ LYS A 110 0.441 16.842 5.745 1.00 0.00 N ATOM 0 H LYS A 110 -2.947 12.240 4.493 1.00 0.00 H new ATOM 0 HA LYS A 110 -0.286 12.044 4.435 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -2.260 12.508 6.647 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -0.577 12.315 7.096 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -1.438 14.282 4.959 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -1.442 14.705 6.659 1.00 0.00 H new ATOM 0 HD2 LYS A 110 0.906 14.490 6.856 1.00 0.00 H new ATOM 0 HD3 LYS A 110 1.036 13.496 5.419 1.00 0.00 H new ATOM 0 HE2 LYS A 110 1.853 15.618 4.748 1.00 0.00 H new ATOM 0 HE3 LYS A 110 0.233 15.542 4.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 0.648 17.665 5.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -0.572 16.831 5.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 0.998 16.903 6.621 1.00 0.00 H new ATOM 1722 N ALA A 111 -1.469 9.463 6.099 1.00 0.00 N ATOM 1723 CA ALA A 111 -1.125 8.146 6.621 1.00 0.00 C ATOM 1724 C ALA A 111 -0.762 7.186 5.493 1.00 0.00 C ATOM 1725 O ALA A 111 0.393 6.780 5.359 1.00 0.00 O ATOM 1726 CB ALA A 111 -2.278 7.587 7.442 1.00 0.00 C ATOM 0 H ALA A 111 -2.465 9.681 6.128 1.00 0.00 H new ATOM 0 HA ALA A 111 -0.253 8.254 7.266 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -2.008 6.603 7.826 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -2.489 8.256 8.276 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -3.164 7.500 6.813 1.00 0.00 H new ATOM 1732 N ILE A 112 -1.754 6.827 4.685 1.00 0.00 N ATOM 1733 CA ILE A 112 -1.537 5.915 3.569 1.00 0.00 C ATOM 1734 C ILE A 112 -0.236 6.236 2.841 1.00 0.00 C ATOM 1735 O ILE A 112 0.622 5.370 2.668 1.00 0.00 O ATOM 1736 CB ILE A 112 -2.702 5.971 2.563 1.00 0.00 C ATOM 1737 CG1 ILE A 112 -4.028 5.675 3.267 1.00 0.00 C ATOM 1738 CG2 ILE A 112 -2.468 4.986 1.427 1.00 0.00 C ATOM 1739 CD1 ILE A 112 -4.708 6.909 3.817 1.00 0.00 C ATOM 0 H ILE A 112 -2.715 7.154 4.782 1.00 0.00 H new ATOM 0 HA ILE A 112 -1.477 4.911 3.989 1.00 0.00 H new ATOM 0 HB ILE A 112 -2.752 6.976 2.143 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -4.701 5.182 2.565 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -3.849 4.975 4.083 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -3.300 5.037 0.724 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -1.541 5.238 0.912 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -2.395 3.976 1.830 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -5.642 6.624 4.302 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -4.054 7.392 4.543 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -4.919 7.602 3.002 1.00 0.00 H new ATOM 1751 N LEU A 113 -0.095 7.488 2.418 1.00 0.00 N ATOM 1752 CA LEU A 113 1.103 7.925 1.710 1.00 0.00 C ATOM 1753 C LEU A 113 2.363 7.423 2.409 1.00 0.00 C ATOM 1754 O LEU A 113 3.234 6.821 1.783 1.00 0.00 O ATOM 1755 CB LEU A 113 1.134 9.452 1.614 1.00 0.00 C ATOM 1756 CG LEU A 113 0.063 10.090 0.729 1.00 0.00 C ATOM 1757 CD1 LEU A 113 0.146 11.607 0.801 1.00 0.00 C ATOM 1758 CD2 LEU A 113 0.206 9.614 -0.709 1.00 0.00 C ATOM 0 H LEU A 113 -0.795 8.218 2.553 1.00 0.00 H new ATOM 0 HA LEU A 113 1.075 7.504 0.705 1.00 0.00 H new ATOM 0 HB2 LEU A 113 1.037 9.861 2.620 1.00 0.00 H new ATOM 0 HB3 LEU A 113 2.113 9.753 1.240 1.00 0.00 H new ATOM 0 HG LEU A 113 -0.916 9.782 1.097 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -0.624 12.044 0.165 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -0.007 11.931 1.830 1.00 0.00 H new ATOM 0 HD13 LEU A 113 1.128 11.934 0.459 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -0.565 10.078 -1.324 1.00 0.00 H new ATOM 0 HD22 LEU A 113 1.189 9.892 -1.088 1.00 0.00 H new ATOM 0 HD23 LEU A 113 0.096 8.530 -0.746 1.00 0.00 H new ATOM 1770 N GLY A 114 2.450 7.673 3.712 1.00 0.00 N ATOM 1771 CA GLY A 114 3.605 7.237 4.475 1.00 0.00 C ATOM 1772 C GLY A 114 3.868 5.751 4.332 1.00 0.00 C ATOM 1773 O GLY A 114 5.003 5.333 4.101 1.00 0.00 O ATOM 0 H GLY A 114 1.742 8.169 4.253 1.00 0.00 H new ATOM 0 HA2 GLY A 114 4.484 7.792 4.146 1.00 0.00 H new ATOM 0 HA3 GLY A 114 3.452 7.476 5.527 1.00 0.00 H new ATOM 1777 N LEU A 115 2.817 4.951 4.471 1.00 0.00 N ATOM 1778 CA LEU A 115 2.939 3.501 4.357 1.00 0.00 C ATOM 1779 C LEU A 115 3.561 3.110 3.021 1.00 0.00 C ATOM 1780 O LEU A 115 4.623 2.490 2.977 1.00 0.00 O ATOM 1781 CB LEU A 115 1.567 2.841 4.507 1.00 0.00 C ATOM 1782 CG LEU A 115 1.369 1.526 3.752 1.00 0.00 C ATOM 1783 CD1 LEU A 115 0.395 0.625 4.495 1.00 0.00 C ATOM 1784 CD2 LEU A 115 0.878 1.793 2.336 1.00 0.00 C ATOM 0 H LEU A 115 1.871 5.281 4.663 1.00 0.00 H new ATOM 0 HA LEU A 115 3.593 3.152 5.156 1.00 0.00 H new ATOM 0 HB2 LEU A 115 1.387 2.659 5.567 1.00 0.00 H new ATOM 0 HB3 LEU A 115 0.808 3.547 4.172 1.00 0.00 H new ATOM 0 HG LEU A 115 2.330 1.015 3.692 1.00 0.00 H new ATOM 0 HD11 LEU A 115 0.267 -0.306 3.943 1.00 0.00 H new ATOM 0 HD12 LEU A 115 0.787 0.406 5.488 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -0.568 1.128 4.587 1.00 0.00 H new ATOM 0 HD21 LEU A 115 0.743 0.846 1.813 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -0.072 2.325 2.375 1.00 0.00 H new ATOM 0 HD23 LEU A 115 1.612 2.399 1.805 1.00 0.00 H new ATOM 1796 N PHE A 116 2.893 3.479 1.933 1.00 0.00 N ATOM 1797 CA PHE A 116 3.381 3.168 0.594 1.00 0.00 C ATOM 1798 C PHE A 116 4.717 3.855 0.329 1.00 0.00 C ATOM 1799 O PHE A 116 5.510 3.399 -0.495 1.00 0.00 O ATOM 1800 CB PHE A 116 2.356 3.597 -0.458 1.00 0.00 C ATOM 1801 CG PHE A 116 1.354 2.529 -0.789 1.00 0.00 C ATOM 1802 CD1 PHE A 116 1.720 1.427 -1.545 1.00 0.00 C ATOM 1803 CD2 PHE A 116 0.045 2.627 -0.346 1.00 0.00 C ATOM 1804 CE1 PHE A 116 0.800 0.442 -1.851 1.00 0.00 C ATOM 1805 CE2 PHE A 116 -0.879 1.645 -0.648 1.00 0.00 C ATOM 1806 CZ PHE A 116 -0.502 0.552 -1.403 1.00 0.00 C ATOM 0 H PHE A 116 2.013 3.994 1.952 1.00 0.00 H new ATOM 0 HA PHE A 116 3.528 2.090 0.529 1.00 0.00 H new ATOM 0 HB2 PHE A 116 1.828 4.481 -0.100 1.00 0.00 H new ATOM 0 HB3 PHE A 116 2.881 3.886 -1.368 1.00 0.00 H new ATOM 0 HD1 PHE A 116 2.736 1.337 -1.899 1.00 0.00 H new ATOM 0 HD2 PHE A 116 -0.257 3.481 0.242 1.00 0.00 H new ATOM 0 HE1 PHE A 116 1.099 -0.413 -2.440 1.00 0.00 H new ATOM 0 HE2 PHE A 116 -1.896 1.732 -0.294 1.00 0.00 H new ATOM 0 HZ PHE A 116 -1.223 -0.215 -1.643 1.00 0.00 H new ATOM 1816 N PHE A 117 4.960 4.955 1.034 1.00 0.00 N ATOM 1817 CA PHE A 117 6.199 5.707 0.874 1.00 0.00 C ATOM 1818 C PHE A 117 7.381 4.940 1.460 1.00 0.00 C ATOM 1819 O PHE A 117 8.514 5.078 1.001 1.00 0.00 O ATOM 1820 CB PHE A 117 6.081 7.076 1.548 1.00 0.00 C ATOM 1821 CG PHE A 117 7.398 7.777 1.717 1.00 0.00 C ATOM 1822 CD1 PHE A 117 8.298 7.365 2.686 1.00 0.00 C ATOM 1823 CD2 PHE A 117 7.735 8.849 0.906 1.00 0.00 C ATOM 1824 CE1 PHE A 117 9.512 8.009 2.843 1.00 0.00 C ATOM 1825 CE2 PHE A 117 8.947 9.496 1.058 1.00 0.00 C ATOM 1826 CZ PHE A 117 9.836 9.076 2.029 1.00 0.00 C ATOM 0 H PHE A 117 4.315 5.345 1.721 1.00 0.00 H new ATOM 0 HA PHE A 117 6.373 5.848 -0.193 1.00 0.00 H new ATOM 0 HB2 PHE A 117 5.416 7.706 0.958 1.00 0.00 H new ATOM 0 HB3 PHE A 117 5.617 6.951 2.526 1.00 0.00 H new ATOM 0 HD1 PHE A 117 8.049 6.532 3.326 1.00 0.00 H new ATOM 0 HD2 PHE A 117 7.043 9.183 0.147 1.00 0.00 H new ATOM 0 HE1 PHE A 117 10.206 7.678 3.602 1.00 0.00 H new ATOM 0 HE2 PHE A 117 9.199 10.329 0.418 1.00 0.00 H new ATOM 0 HZ PHE A 117 10.783 9.582 2.151 1.00 0.00 H new ATOM 1836 N SER A 118 7.106 4.130 2.478 1.00 0.00 N ATOM 1837 CA SER A 118 8.146 3.344 3.131 1.00 0.00 C ATOM 1838 C SER A 118 8.215 1.939 2.541 1.00 0.00 C ATOM 1839 O SER A 118 9.300 1.391 2.336 1.00 0.00 O ATOM 1840 CB SER A 118 7.886 3.264 4.637 1.00 0.00 C ATOM 1841 OG SER A 118 6.522 2.989 4.905 1.00 0.00 O ATOM 0 H SER A 118 6.172 4.001 2.868 1.00 0.00 H new ATOM 0 HA SER A 118 9.102 3.839 2.961 1.00 0.00 H new ATOM 0 HB2 SER A 118 8.510 2.486 5.076 1.00 0.00 H new ATOM 0 HB3 SER A 118 8.170 4.205 5.109 1.00 0.00 H new ATOM 0 HG SER A 118 5.994 3.805 4.784 1.00 0.00 H new ATOM 1847 N LEU A 119 7.051 1.360 2.270 1.00 0.00 N ATOM 1848 CA LEU A 119 6.977 0.018 1.702 1.00 0.00 C ATOM 1849 C LEU A 119 7.697 -0.046 0.359 1.00 0.00 C ATOM 1850 O LEU A 119 8.517 -0.934 0.125 1.00 0.00 O ATOM 1851 CB LEU A 119 5.517 -0.406 1.532 1.00 0.00 C ATOM 1852 CG LEU A 119 5.265 -1.578 0.583 1.00 0.00 C ATOM 1853 CD1 LEU A 119 5.912 -2.846 1.118 1.00 0.00 C ATOM 1854 CD2 LEU A 119 3.771 -1.786 0.377 1.00 0.00 C ATOM 0 H LEU A 119 6.145 1.799 2.434 1.00 0.00 H new ATOM 0 HA LEU A 119 7.470 -0.668 2.390 1.00 0.00 H new ATOM 0 HB2 LEU A 119 5.119 -0.666 2.513 1.00 0.00 H new ATOM 0 HB3 LEU A 119 4.949 0.453 1.175 1.00 0.00 H new ATOM 0 HG LEU A 119 5.715 -1.343 -0.381 1.00 0.00 H new ATOM 0 HD11 LEU A 119 5.722 -3.670 0.430 1.00 0.00 H new ATOM 0 HD12 LEU A 119 6.987 -2.693 1.214 1.00 0.00 H new ATOM 0 HD13 LEU A 119 5.491 -3.085 2.095 1.00 0.00 H new ATOM 0 HD21 LEU A 119 3.610 -2.624 -0.301 1.00 0.00 H new ATOM 0 HD22 LEU A 119 3.298 -1.999 1.336 1.00 0.00 H new ATOM 0 HD23 LEU A 119 3.334 -0.884 -0.051 1.00 0.00 H new ATOM 1866 N SER A 120 7.386 0.902 -0.519 1.00 0.00 N ATOM 1867 CA SER A 120 8.003 0.953 -1.839 1.00 0.00 C ATOM 1868 C SER A 120 9.524 0.897 -1.731 1.00 0.00 C ATOM 1869 O SER A 120 10.202 0.386 -2.623 1.00 0.00 O ATOM 1870 CB SER A 120 7.578 2.225 -2.575 1.00 0.00 C ATOM 1871 OG SER A 120 8.212 3.368 -2.025 1.00 0.00 O ATOM 0 H SER A 120 6.711 1.645 -0.340 1.00 0.00 H new ATOM 0 HA SER A 120 7.665 0.085 -2.405 1.00 0.00 H new ATOM 0 HB2 SER A 120 7.830 2.139 -3.632 1.00 0.00 H new ATOM 0 HB3 SER A 120 6.496 2.340 -2.513 1.00 0.00 H new ATOM 0 HG SER A 120 7.619 3.786 -1.366 1.00 0.00 H new ATOM 1877 N ARG A 121 10.052 1.427 -0.633 1.00 0.00 N ATOM 1878 CA ARG A 121 11.493 1.440 -0.408 1.00 0.00 C ATOM 1879 C ARG A 121 12.007 0.037 -0.099 1.00 0.00 C ATOM 1880 O ARG A 121 13.059 -0.372 -0.591 1.00 0.00 O ATOM 1881 CB ARG A 121 11.843 2.387 0.741 1.00 0.00 C ATOM 1882 CG ARG A 121 11.512 3.842 0.452 1.00 0.00 C ATOM 1883 CD ARG A 121 11.844 4.735 1.638 1.00 0.00 C ATOM 1884 NE ARG A 121 12.106 6.112 1.230 1.00 0.00 N ATOM 1885 CZ ARG A 121 13.133 6.471 0.467 1.00 0.00 C ATOM 1886 NH1 ARG A 121 13.990 5.557 0.033 1.00 0.00 N ATOM 1887 NH2 ARG A 121 13.304 7.745 0.138 1.00 0.00 N ATOM 0 H ARG A 121 9.504 1.853 0.115 1.00 0.00 H new ATOM 0 HA ARG A 121 11.975 1.793 -1.320 1.00 0.00 H new ATOM 0 HB2 ARG A 121 11.307 2.072 1.636 1.00 0.00 H new ATOM 0 HB3 ARG A 121 12.907 2.302 0.960 1.00 0.00 H new ATOM 0 HG2 ARG A 121 12.069 4.176 -0.423 1.00 0.00 H new ATOM 0 HG3 ARG A 121 10.453 3.934 0.211 1.00 0.00 H new ATOM 0 HD2 ARG A 121 11.016 4.718 2.347 1.00 0.00 H new ATOM 0 HD3 ARG A 121 12.717 4.339 2.157 1.00 0.00 H new ATOM 0 HE ARG A 121 11.465 6.839 1.548 1.00 0.00 H new ATOM 0 HH11 ARG A 121 13.861 4.577 0.285 1.00 0.00 H new ATOM 0 HH12 ARG A 121 14.778 5.834 -0.553 1.00 0.00 H new ATOM 0 HH21 ARG A 121 12.647 8.450 0.471 1.00 0.00 H new ATOM 0 HH22 ARG A 121 14.093 8.019 -0.448 1.00 0.00 H new ATOM 1901 N TYR A 122 11.258 -0.695 0.718 1.00 0.00 N ATOM 1902 CA TYR A 122 11.640 -2.051 1.095 1.00 0.00 C ATOM 1903 C TYR A 122 12.046 -2.864 -0.131 1.00 0.00 C ATOM 1904 O TYR A 122 13.088 -3.520 -0.139 1.00 0.00 O ATOM 1905 CB TYR A 122 10.486 -2.745 1.821 1.00 0.00 C ATOM 1906 CG TYR A 122 10.551 -4.254 1.759 1.00 0.00 C ATOM 1907 CD1 TYR A 122 10.028 -4.947 0.674 1.00 0.00 C ATOM 1908 CD2 TYR A 122 11.135 -4.987 2.784 1.00 0.00 C ATOM 1909 CE1 TYR A 122 10.085 -6.326 0.612 1.00 0.00 C ATOM 1910 CE2 TYR A 122 11.197 -6.366 2.731 1.00 0.00 C ATOM 1911 CZ TYR A 122 10.671 -7.031 1.643 1.00 0.00 C ATOM 1912 OH TYR A 122 10.730 -8.405 1.587 1.00 0.00 O ATOM 0 H TYR A 122 10.383 -0.373 1.132 1.00 0.00 H new ATOM 0 HA TYR A 122 12.497 -1.986 1.766 1.00 0.00 H new ATOM 0 HB2 TYR A 122 10.485 -2.433 2.865 1.00 0.00 H new ATOM 0 HB3 TYR A 122 9.543 -2.412 1.388 1.00 0.00 H new ATOM 0 HD1 TYR A 122 9.569 -4.398 -0.135 1.00 0.00 H new ATOM 0 HD2 TYR A 122 11.548 -4.470 3.637 1.00 0.00 H new ATOM 0 HE1 TYR A 122 9.673 -6.849 -0.239 1.00 0.00 H new ATOM 0 HE2 TYR A 122 11.655 -6.920 3.537 1.00 0.00 H new ATOM 0 HH TYR A 122 11.382 -8.731 2.242 1.00 0.00 H new ATOM 1922 N LYS A 123 11.215 -2.815 -1.167 1.00 0.00 N ATOM 1923 CA LYS A 123 11.486 -3.543 -2.400 1.00 0.00 C ATOM 1924 C LYS A 123 12.557 -2.837 -3.226 1.00 0.00 C ATOM 1925 O LYS A 123 13.605 -3.411 -3.520 1.00 0.00 O ATOM 1926 CB LYS A 123 10.204 -3.687 -3.224 1.00 0.00 C ATOM 1927 CG LYS A 123 10.337 -4.646 -4.394 1.00 0.00 C ATOM 1928 CD LYS A 123 10.234 -6.093 -3.944 1.00 0.00 C ATOM 1929 CE LYS A 123 9.801 -7.002 -5.084 1.00 0.00 C ATOM 1930 NZ LYS A 123 10.967 -7.524 -5.850 1.00 0.00 N ATOM 0 H LYS A 123 10.348 -2.278 -1.177 1.00 0.00 H new ATOM 0 HA LYS A 123 11.853 -4.534 -2.133 1.00 0.00 H new ATOM 0 HB2 LYS A 123 9.400 -4.031 -2.573 1.00 0.00 H new ATOM 0 HB3 LYS A 123 9.912 -2.707 -3.600 1.00 0.00 H new ATOM 0 HG2 LYS A 123 9.559 -4.436 -5.128 1.00 0.00 H new ATOM 0 HG3 LYS A 123 11.294 -4.486 -4.890 1.00 0.00 H new ATOM 0 HD2 LYS A 123 11.198 -6.425 -3.559 1.00 0.00 H new ATOM 0 HD3 LYS A 123 9.520 -6.170 -3.124 1.00 0.00 H new ATOM 0 HE2 LYS A 123 9.226 -7.837 -4.684 1.00 0.00 H new ATOM 0 HE3 LYS A 123 9.141 -6.453 -5.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 10.631 -8.139 -6.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 11.502 -6.728 -6.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 11.584 -8.069 -5.215 1.00 0.00 H new ATOM 1944 N GLN A 124 12.286 -1.589 -3.594 1.00 0.00 N ATOM 1945 CA GLN A 124 13.227 -0.805 -4.385 1.00 0.00 C ATOM 1946 C GLN A 124 14.625 -0.856 -3.776 1.00 0.00 C ATOM 1947 O GLN A 124 14.814 -0.524 -2.606 1.00 0.00 O ATOM 1948 CB GLN A 124 12.756 0.647 -4.486 1.00 0.00 C ATOM 1949 CG GLN A 124 11.848 0.909 -5.677 1.00 0.00 C ATOM 1950 CD GLN A 124 11.518 2.379 -5.846 1.00 0.00 C ATOM 1951 OE1 GLN A 124 12.270 3.251 -5.410 1.00 0.00 O ATOM 1952 NE2 GLN A 124 10.387 2.663 -6.483 1.00 0.00 N ATOM 0 H GLN A 124 11.423 -1.099 -3.357 1.00 0.00 H new ATOM 0 HA GLN A 124 13.269 -1.237 -5.385 1.00 0.00 H new ATOM 0 HB2 GLN A 124 12.227 0.914 -3.571 1.00 0.00 H new ATOM 0 HB3 GLN A 124 13.627 1.299 -4.553 1.00 0.00 H new ATOM 0 HG2 GLN A 124 12.329 0.542 -6.584 1.00 0.00 H new ATOM 0 HG3 GLN A 124 10.924 0.344 -5.556 1.00 0.00 H new ATOM 0 HE21 GLN A 124 9.793 1.909 -6.828 1.00 0.00 H new ATOM 0 HE22 GLN A 124 10.113 3.635 -6.627 1.00 0.00 H new