USER MOD reduce.3.24.130724 H: found=0, std=0, add=754, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 748 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 49 LYS NZ :NH3+ 150:sc= -0.284 (180deg=-0.385) USER MOD Set 1.2: A 50 HIS : no HE2:sc= -0.0447 K(o=-0.33,f=-1.5) USER MOD Set 2.1: A 18 CYS SG : rot 65:sc= 1.36 USER MOD Set 2.2: A 21 CYS SG : rot -62:sc= -3.64 USER MOD Set 2.3: A 34 HIS : no HD1:sc= -1.53 K(o=-6.8,f=-5.9) USER MOD Set 2.4: A 35 CYS SG : rot -53:sc= 0.0695 USER MOD Set 2.5: A 39 HIS : no HD1:sc= -3.04! C(o=-6.8!,f=-5.9!) USER MOD Single : A 14 GLN : amide:sc= -1.36! C(o=-1.4!,f=-1.4!) USER MOD Single : A 15 HIS : no HD1:sc= -1.79 K(o=-1.8,f=-3.6!) USER MOD Single : A 16 THR OG1 : rot 150:sc= 0.0996 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot -69:sc= -0.305 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 139:sc= 0.591 (180deg=0.0217) USER MOD Single : A 40 GLN : amide:sc= -0.218 X(o=-0.22,f=-0.03) USER MOD Single : A 42 ASN : amide:sc= -1.16 K(o=-1.2,f=-4.1!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl -135:sc= -0.177 (180deg=-0.759) USER MOD Single : A 48 HIS : no HD1:sc= -0.194 X(o=-0.19,f=-0.04) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 168:sc= 1.01 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -2.07! K(o=-2.1!,f=-4.8) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= -0.918! X(o=-0.92!,f=-1.1) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 120:sc= -0.718 USER MOD Single : A 74 MET CE :methyl -142:sc= -0.871 (180deg=-4.33!) USER MOD Single : A 75 ASN : amide:sc=-0.00382 K(o=-0.0038,f=-1.4!) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= -0.225 X(o=-0.23,f=-0.073) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 TYR OH : rot 180:sc=-0.00564 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN : amide:sc= -0.984 K(o=-0.98,f=-2.3) USER MOD ----------------------------------------------------------------- ATOM 153 N GLN A 14 2.200 9.450 17.379 1.00 0.00 N ATOM 154 CA GLN A 14 2.243 9.350 15.925 1.00 0.00 C ATOM 155 C GLN A 14 1.389 8.185 15.434 1.00 0.00 C ATOM 156 O GLN A 14 1.633 7.031 15.787 1.00 0.00 O ATOM 157 CB GLN A 14 3.686 9.177 15.447 1.00 0.00 C ATOM 158 CG GLN A 14 3.814 9.030 13.940 1.00 0.00 C ATOM 159 CD GLN A 14 3.720 10.358 13.214 1.00 0.00 C ATOM 160 OE1 GLN A 14 2.637 10.781 12.807 1.00 0.00 O ATOM 161 NE2 GLN A 14 4.857 11.024 13.049 1.00 0.00 N ATOM 0 HA GLN A 14 1.839 10.273 15.510 1.00 0.00 H new ATOM 0 HB2 GLN A 14 4.273 10.037 15.771 1.00 0.00 H new ATOM 0 HB3 GLN A 14 4.116 8.298 15.927 1.00 0.00 H new ATOM 0 HG2 GLN A 14 4.768 8.558 13.705 1.00 0.00 H new ATOM 0 HG3 GLN A 14 3.031 8.365 13.576 1.00 0.00 H new ATOM 0 HE21 GLN A 14 5.731 10.636 13.403 1.00 0.00 H new ATOM 0 HE22 GLN A 14 4.856 11.924 12.569 1.00 0.00 H new ATOM 170 N HIS A 15 0.387 8.496 14.617 1.00 0.00 N ATOM 171 CA HIS A 15 -0.503 7.475 14.077 1.00 0.00 C ATOM 172 C HIS A 15 -0.982 7.855 12.679 1.00 0.00 C ATOM 173 O HIS A 15 -1.175 9.033 12.376 1.00 0.00 O ATOM 174 CB HIS A 15 -1.703 7.273 15.002 1.00 0.00 C ATOM 175 CG HIS A 15 -1.323 6.973 16.420 1.00 0.00 C ATOM 176 ND1 HIS A 15 -0.807 7.921 17.277 1.00 0.00 N ATOM 177 CD2 HIS A 15 -1.388 5.822 17.129 1.00 0.00 C ATOM 178 CE1 HIS A 15 -0.569 7.366 18.452 1.00 0.00 C ATOM 179 NE2 HIS A 15 -0.914 6.093 18.389 1.00 0.00 N ATOM 0 H HIS A 15 0.172 9.446 14.315 1.00 0.00 H new ATOM 0 HA HIS A 15 0.055 6.541 14.009 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -2.321 8.170 14.982 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -2.314 6.456 14.618 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -1.746 4.868 16.771 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -0.162 7.868 19.317 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -0.840 5.420 19.152 1.00 0.00 H new ATOM 187 N THR A 16 -1.171 6.851 11.829 1.00 0.00 N ATOM 188 CA THR A 16 -1.625 7.080 10.463 1.00 0.00 C ATOM 189 C THR A 16 -2.919 6.326 10.180 1.00 0.00 C ATOM 190 O THR A 16 -3.028 5.122 10.410 1.00 0.00 O ATOM 191 CB THR A 16 -0.559 6.650 9.438 1.00 0.00 C ATOM 192 OG1 THR A 16 -1.057 6.835 8.108 1.00 0.00 O ATOM 193 CG2 THR A 16 -0.169 5.194 9.641 1.00 0.00 C ATOM 0 H THR A 16 -1.017 5.870 12.063 1.00 0.00 H new ATOM 0 HA THR A 16 -1.803 8.151 10.364 1.00 0.00 H new ATOM 0 HB THR A 16 0.326 7.270 9.584 1.00 0.00 H new ATOM 0 HG1 THR A 16 -0.311 7.033 7.504 1.00 0.00 H new ATOM 0 HG21 THR A 16 0.585 4.913 8.906 1.00 0.00 H new ATOM 0 HG22 THR A 16 0.236 5.062 10.644 1.00 0.00 H new ATOM 0 HG23 THR A 16 -1.048 4.561 9.519 1.00 0.00 H new ATOM 201 N PRO A 17 -3.926 7.050 9.668 1.00 0.00 N ATOM 202 CA PRO A 17 -5.232 6.469 9.342 1.00 0.00 C ATOM 203 C PRO A 17 -5.165 5.531 8.141 1.00 0.00 C ATOM 204 O PRO A 17 -4.201 5.554 7.376 1.00 0.00 O ATOM 205 CB PRO A 17 -6.093 7.692 9.018 1.00 0.00 C ATOM 206 CG PRO A 17 -5.122 8.733 8.577 1.00 0.00 C ATOM 207 CD PRO A 17 -3.867 8.490 9.369 1.00 0.00 C ATOM 0 HA PRO A 17 -5.623 5.860 10.157 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -6.818 7.470 8.235 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -6.657 8.021 9.890 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -4.929 8.658 7.507 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -5.512 9.734 8.761 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -2.975 8.745 8.797 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -3.844 9.089 10.279 1.00 0.00 H new ATOM 215 N CYS A 18 -6.196 4.708 7.981 1.00 0.00 N ATOM 216 CA CYS A 18 -6.254 3.762 6.874 1.00 0.00 C ATOM 217 C CYS A 18 -6.686 4.458 5.586 1.00 0.00 C ATOM 218 O CYS A 18 -7.254 5.550 5.618 1.00 0.00 O ATOM 219 CB CYS A 18 -7.222 2.622 7.200 1.00 0.00 C ATOM 220 SG CYS A 18 -7.171 1.241 6.013 1.00 0.00 S ATOM 0 H CYS A 18 -7.003 4.677 8.604 1.00 0.00 H new ATOM 0 HA CYS A 18 -5.255 3.351 6.727 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -6.995 2.240 8.195 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -8.236 3.020 7.235 1.00 0.00 H new ATOM 0 HG CYS A 18 -6.008 0.663 6.070 1.00 0.00 H new ATOM 225 N LEU A 19 -6.413 3.818 4.454 1.00 0.00 N ATOM 226 CA LEU A 19 -6.773 4.375 3.155 1.00 0.00 C ATOM 227 C LEU A 19 -8.230 4.074 2.818 1.00 0.00 C ATOM 228 O LEU A 19 -8.954 4.936 2.319 1.00 0.00 O ATOM 229 CB LEU A 19 -5.859 3.810 2.066 1.00 0.00 C ATOM 230 CG LEU A 19 -4.365 3.784 2.390 1.00 0.00 C ATOM 231 CD1 LEU A 19 -3.977 4.999 3.218 1.00 0.00 C ATOM 232 CD2 LEU A 19 -4.001 2.500 3.121 1.00 0.00 C ATOM 0 H LEU A 19 -5.944 2.913 4.410 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.647 5.457 3.203 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.180 2.792 1.843 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -6.003 4.396 1.158 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.809 3.816 1.453 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.910 4.963 3.439 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.201 5.907 2.659 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.541 4.999 4.151 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.934 2.498 3.344 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.566 2.438 4.051 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.242 1.643 2.492 1.00 0.00 H new ATOM 244 N PHE A 20 -8.655 2.846 3.097 1.00 0.00 N ATOM 245 CA PHE A 20 -10.027 2.431 2.825 1.00 0.00 C ATOM 246 C PHE A 20 -10.948 2.809 3.981 1.00 0.00 C ATOM 247 O PHE A 20 -12.038 3.344 3.772 1.00 0.00 O ATOM 248 CB PHE A 20 -10.087 0.922 2.583 1.00 0.00 C ATOM 249 CG PHE A 20 -9.151 0.449 1.508 1.00 0.00 C ATOM 250 CD1 PHE A 20 -7.850 0.085 1.814 1.00 0.00 C ATOM 251 CD2 PHE A 20 -9.572 0.370 0.190 1.00 0.00 C ATOM 252 CE1 PHE A 20 -6.986 -0.350 0.827 1.00 0.00 C ATOM 253 CE2 PHE A 20 -8.713 -0.065 -0.801 1.00 0.00 C ATOM 254 CZ PHE A 20 -7.418 -0.425 -0.483 1.00 0.00 C ATOM 0 H PHE A 20 -8.069 2.121 3.511 1.00 0.00 H new ATOM 0 HA PHE A 20 -10.366 2.949 1.928 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -9.851 0.404 3.512 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -11.106 0.646 2.313 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -7.507 0.142 2.836 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -10.583 0.652 -0.065 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -5.974 -0.631 1.080 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -9.054 -0.124 -1.824 1.00 0.00 H new ATOM 0 HZ PHE A 20 -6.745 -0.764 -1.256 1.00 0.00 H new ATOM 264 N CYS A 21 -10.504 2.528 5.201 1.00 0.00 N ATOM 265 CA CYS A 21 -11.287 2.836 6.391 1.00 0.00 C ATOM 266 C CYS A 21 -10.659 3.988 7.172 1.00 0.00 C ATOM 267 O CYS A 21 -9.680 4.590 6.731 1.00 0.00 O ATOM 268 CB CYS A 21 -11.401 1.601 7.287 1.00 0.00 C ATOM 269 SG CYS A 21 -9.837 1.112 8.082 1.00 0.00 S ATOM 0 H CYS A 21 -9.604 2.087 5.392 1.00 0.00 H new ATOM 0 HA CYS A 21 -12.284 3.137 6.071 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -12.144 1.794 8.060 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -11.770 0.766 6.691 1.00 0.00 H new ATOM 0 HG CYS A 21 -8.966 0.799 7.169 1.00 0.00 H new ATOM 274 N ASP A 22 -11.230 4.287 8.334 1.00 0.00 N ATOM 275 CA ASP A 22 -10.727 5.365 9.177 1.00 0.00 C ATOM 276 C ASP A 22 -10.029 4.807 10.414 1.00 0.00 C ATOM 277 O ASP A 22 -10.194 5.325 11.518 1.00 0.00 O ATOM 278 CB ASP A 22 -11.870 6.291 9.596 1.00 0.00 C ATOM 279 CG ASP A 22 -12.561 6.931 8.408 1.00 0.00 C ATOM 280 OD1 ASP A 22 -11.870 7.234 7.413 1.00 0.00 O ATOM 281 OD2 ASP A 22 -13.792 7.131 8.474 1.00 0.00 O ATOM 0 H ASP A 22 -12.041 3.798 8.713 1.00 0.00 H new ATOM 0 HA ASP A 22 -10.001 5.936 8.598 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -12.599 5.724 10.175 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -11.481 7.071 10.250 1.00 0.00 H new ATOM 286 N ARG A 23 -9.251 3.747 10.220 1.00 0.00 N ATOM 287 CA ARG A 23 -8.530 3.117 11.320 1.00 0.00 C ATOM 288 C ARG A 23 -7.128 3.704 11.458 1.00 0.00 C ATOM 289 O ARG A 23 -6.388 3.809 10.479 1.00 0.00 O ATOM 290 CB ARG A 23 -8.443 1.606 11.101 1.00 0.00 C ATOM 291 CG ARG A 23 -9.737 0.870 11.407 1.00 0.00 C ATOM 292 CD ARG A 23 -9.646 -0.599 11.026 1.00 0.00 C ATOM 293 NE ARG A 23 -10.695 -1.395 11.658 1.00 0.00 N ATOM 294 CZ ARG A 23 -11.919 -1.527 11.160 1.00 0.00 C ATOM 295 NH1 ARG A 23 -12.246 -0.920 10.027 1.00 0.00 N ATOM 296 NH2 ARG A 23 -12.819 -2.268 11.793 1.00 0.00 N ATOM 0 H ARG A 23 -9.104 3.307 9.312 1.00 0.00 H new ATOM 0 HA ARG A 23 -9.079 3.313 12.241 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -8.162 1.413 10.066 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -7.648 1.202 11.728 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -9.964 0.958 12.469 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -10.559 1.337 10.865 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -9.719 -0.698 9.943 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -8.670 -0.989 11.316 1.00 0.00 H new ATOM 0 HE ARG A 23 -10.475 -1.876 12.530 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -11.557 -0.350 9.536 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -13.187 -1.023 9.646 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -12.571 -2.738 12.664 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -13.759 -2.368 11.409 1.00 0.00 H new ATOM 310 N LEU A 24 -6.770 4.085 12.679 1.00 0.00 N ATOM 311 CA LEU A 24 -5.457 4.661 12.946 1.00 0.00 C ATOM 312 C LEU A 24 -4.455 3.578 13.332 1.00 0.00 C ATOM 313 O LEU A 24 -4.797 2.618 14.022 1.00 0.00 O ATOM 314 CB LEU A 24 -5.553 5.703 14.062 1.00 0.00 C ATOM 315 CG LEU A 24 -6.066 7.083 13.649 1.00 0.00 C ATOM 316 CD1 LEU A 24 -6.379 7.926 14.876 1.00 0.00 C ATOM 317 CD2 LEU A 24 -5.049 7.787 12.762 1.00 0.00 C ATOM 0 H LEU A 24 -7.370 4.005 13.500 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.108 5.145 12.034 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -6.207 5.312 14.841 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.565 5.823 14.506 1.00 0.00 H new ATOM 0 HG LEU A 24 -6.986 6.951 13.079 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.743 8.904 14.562 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.143 7.429 15.473 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.475 8.049 15.473 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -5.431 8.767 12.478 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.112 7.906 13.306 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -4.874 7.192 11.866 1.00 0.00 H new ATOM 329 N PHE A 25 -3.214 3.740 12.883 1.00 0.00 N ATOM 330 CA PHE A 25 -2.161 2.777 13.182 1.00 0.00 C ATOM 331 C PHE A 25 -0.876 3.487 13.597 1.00 0.00 C ATOM 332 O PHE A 25 -0.404 4.391 12.908 1.00 0.00 O ATOM 333 CB PHE A 25 -1.895 1.887 11.966 1.00 0.00 C ATOM 334 CG PHE A 25 -3.085 1.070 11.549 1.00 0.00 C ATOM 335 CD1 PHE A 25 -3.310 -0.181 12.100 1.00 0.00 C ATOM 336 CD2 PHE A 25 -3.978 1.554 10.606 1.00 0.00 C ATOM 337 CE1 PHE A 25 -4.404 -0.935 11.719 1.00 0.00 C ATOM 338 CE2 PHE A 25 -5.074 0.805 10.222 1.00 0.00 C ATOM 339 CZ PHE A 25 -5.287 -0.442 10.778 1.00 0.00 C ATOM 0 H PHE A 25 -2.914 4.529 12.311 1.00 0.00 H new ATOM 0 HA PHE A 25 -2.496 2.156 14.013 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -1.582 2.512 11.130 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -1.065 1.217 12.191 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -2.623 -0.572 12.836 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -3.816 2.527 10.167 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -4.568 -1.909 12.157 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -5.764 1.194 9.488 1.00 0.00 H new ATOM 0 HZ PHE A 25 -6.142 -1.030 10.478 1.00 0.00 H new ATOM 349 N ALA A 26 -0.316 3.072 14.728 1.00 0.00 N ATOM 350 CA ALA A 26 0.914 3.666 15.235 1.00 0.00 C ATOM 351 C ALA A 26 1.937 3.847 14.118 1.00 0.00 C ATOM 352 O ALA A 26 2.584 4.890 14.019 1.00 0.00 O ATOM 353 CB ALA A 26 1.494 2.809 16.350 1.00 0.00 C ATOM 0 H ALA A 26 -0.695 2.326 15.311 1.00 0.00 H new ATOM 0 HA ALA A 26 0.674 4.651 15.636 1.00 0.00 H new ATOM 0 HB1 ALA A 26 2.413 3.265 16.719 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.773 2.735 17.164 1.00 0.00 H new ATOM 0 HB3 ALA A 26 1.712 1.812 15.967 1.00 0.00 H new ATOM 359 N SER A 27 2.079 2.825 13.280 1.00 0.00 N ATOM 360 CA SER A 27 3.027 2.870 12.173 1.00 0.00 C ATOM 361 C SER A 27 2.324 2.603 10.846 1.00 0.00 C ATOM 362 O SER A 27 1.141 2.267 10.814 1.00 0.00 O ATOM 363 CB SER A 27 4.143 1.847 12.388 1.00 0.00 C ATOM 364 OG SER A 27 5.349 2.271 11.776 1.00 0.00 O ATOM 0 H SER A 27 1.550 1.956 13.347 1.00 0.00 H new ATOM 0 HA SER A 27 3.462 3.869 12.139 1.00 0.00 H new ATOM 0 HB2 SER A 27 4.305 1.701 13.456 1.00 0.00 H new ATOM 0 HB3 SER A 27 3.842 0.884 11.976 1.00 0.00 H new ATOM 0 HG SER A 27 6.047 1.600 11.929 1.00 0.00 H new ATOM 370 N ALA A 28 3.064 2.754 9.751 1.00 0.00 N ATOM 371 CA ALA A 28 2.514 2.527 8.421 1.00 0.00 C ATOM 372 C ALA A 28 2.431 1.036 8.108 1.00 0.00 C ATOM 373 O ALA A 28 1.583 0.603 7.328 1.00 0.00 O ATOM 374 CB ALA A 28 3.354 3.242 7.373 1.00 0.00 C ATOM 0 H ALA A 28 4.045 3.032 9.760 1.00 0.00 H new ATOM 0 HA ALA A 28 1.503 2.933 8.399 1.00 0.00 H new ATOM 0 HB1 ALA A 28 2.931 3.064 6.384 1.00 0.00 H new ATOM 0 HB2 ALA A 28 3.358 4.313 7.578 1.00 0.00 H new ATOM 0 HB3 ALA A 28 4.375 2.863 7.405 1.00 0.00 H new ATOM 380 N GLU A 29 3.318 0.258 8.720 1.00 0.00 N ATOM 381 CA GLU A 29 3.345 -1.184 8.504 1.00 0.00 C ATOM 382 C GLU A 29 2.111 -1.848 9.110 1.00 0.00 C ATOM 383 O GLU A 29 1.540 -2.768 8.525 1.00 0.00 O ATOM 384 CB GLU A 29 4.612 -1.789 9.111 1.00 0.00 C ATOM 385 CG GLU A 29 5.823 -1.711 8.196 1.00 0.00 C ATOM 386 CD GLU A 29 7.131 -1.891 8.941 1.00 0.00 C ATOM 387 OE1 GLU A 29 7.290 -2.926 9.620 1.00 0.00 O ATOM 388 OE2 GLU A 29 7.995 -0.995 8.845 1.00 0.00 O ATOM 0 H GLU A 29 4.027 0.601 9.368 1.00 0.00 H new ATOM 0 HA GLU A 29 3.343 -1.365 7.429 1.00 0.00 H new ATOM 0 HB2 GLU A 29 4.839 -1.274 10.045 1.00 0.00 H new ATOM 0 HB3 GLU A 29 4.422 -2.833 9.361 1.00 0.00 H new ATOM 0 HG2 GLU A 29 5.740 -2.477 7.425 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.828 -0.746 7.688 1.00 0.00 H new ATOM 395 N GLU A 30 1.707 -1.374 10.284 1.00 0.00 N ATOM 396 CA GLU A 30 0.542 -1.922 10.969 1.00 0.00 C ATOM 397 C GLU A 30 -0.700 -1.831 10.087 1.00 0.00 C ATOM 398 O GLU A 30 -1.537 -2.734 10.077 1.00 0.00 O ATOM 399 CB GLU A 30 0.302 -1.182 12.286 1.00 0.00 C ATOM 400 CG GLU A 30 1.058 -1.775 13.464 1.00 0.00 C ATOM 401 CD GLU A 30 0.667 -3.213 13.743 1.00 0.00 C ATOM 402 OE1 GLU A 30 -0.308 -3.428 14.493 1.00 0.00 O ATOM 403 OE2 GLU A 30 1.337 -4.124 13.212 1.00 0.00 O ATOM 0 H GLU A 30 2.169 -0.612 10.781 1.00 0.00 H new ATOM 0 HA GLU A 30 0.739 -2.973 11.182 1.00 0.00 H new ATOM 0 HB2 GLU A 30 0.594 -0.139 12.165 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -0.765 -1.190 12.509 1.00 0.00 H new ATOM 0 HG2 GLU A 30 2.129 -1.725 13.266 1.00 0.00 H new ATOM 0 HG3 GLU A 30 0.870 -1.172 14.352 1.00 0.00 H new ATOM 410 N THR A 31 -0.815 -0.732 9.348 1.00 0.00 N ATOM 411 CA THR A 31 -1.954 -0.520 8.465 1.00 0.00 C ATOM 412 C THR A 31 -1.929 -1.493 7.292 1.00 0.00 C ATOM 413 O THR A 31 -2.855 -2.284 7.108 1.00 0.00 O ATOM 414 CB THR A 31 -1.984 0.921 7.921 1.00 0.00 C ATOM 415 OG1 THR A 31 -1.716 1.849 8.978 1.00 0.00 O ATOM 416 CG2 THR A 31 -3.333 1.235 7.293 1.00 0.00 C ATOM 0 H THR A 31 -0.132 0.026 9.344 1.00 0.00 H new ATOM 0 HA THR A 31 -2.851 -0.694 9.060 1.00 0.00 H new ATOM 0 HB THR A 31 -1.215 1.012 7.154 1.00 0.00 H new ATOM 0 HG1 THR A 31 -2.469 1.857 9.605 1.00 0.00 H new ATOM 0 HG21 THR A 31 -3.330 2.258 6.916 1.00 0.00 H new ATOM 0 HG22 THR A 31 -3.520 0.546 6.470 1.00 0.00 H new ATOM 0 HG23 THR A 31 -4.117 1.127 8.042 1.00 0.00 H new ATOM 424 N PHE A 32 -0.864 -1.430 6.499 1.00 0.00 N ATOM 425 CA PHE A 32 -0.718 -2.307 5.343 1.00 0.00 C ATOM 426 C PHE A 32 -1.235 -3.708 5.654 1.00 0.00 C ATOM 427 O PHE A 32 -2.219 -4.163 5.071 1.00 0.00 O ATOM 428 CB PHE A 32 0.747 -2.375 4.910 1.00 0.00 C ATOM 429 CG PHE A 32 1.234 -1.121 4.242 1.00 0.00 C ATOM 430 CD1 PHE A 32 0.509 -0.541 3.214 1.00 0.00 C ATOM 431 CD2 PHE A 32 2.417 -0.521 4.644 1.00 0.00 C ATOM 432 CE1 PHE A 32 0.956 0.613 2.598 1.00 0.00 C ATOM 433 CE2 PHE A 32 2.869 0.633 4.031 1.00 0.00 C ATOM 434 CZ PHE A 32 2.136 1.201 3.008 1.00 0.00 C ATOM 0 H PHE A 32 -0.089 -0.781 6.636 1.00 0.00 H new ATOM 0 HA PHE A 32 -1.311 -1.894 4.527 1.00 0.00 H new ATOM 0 HB2 PHE A 32 1.367 -2.576 5.784 1.00 0.00 H new ATOM 0 HB3 PHE A 32 0.877 -3.215 4.227 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -0.416 -0.995 2.890 1.00 0.00 H new ATOM 0 HD2 PHE A 32 2.993 -0.960 5.446 1.00 0.00 H new ATOM 0 HE1 PHE A 32 0.382 1.054 1.796 1.00 0.00 H new ATOM 0 HE2 PHE A 32 3.794 1.089 4.352 1.00 0.00 H new ATOM 0 HZ PHE A 32 2.485 2.104 2.529 1.00 0.00 H new ATOM 444 N SER A 33 -0.562 -4.388 6.577 1.00 0.00 N ATOM 445 CA SER A 33 -0.950 -5.740 6.964 1.00 0.00 C ATOM 446 C SER A 33 -2.449 -5.820 7.233 1.00 0.00 C ATOM 447 O SER A 33 -3.128 -6.734 6.764 1.00 0.00 O ATOM 448 CB SER A 33 -0.172 -6.180 8.206 1.00 0.00 C ATOM 449 OG SER A 33 1.193 -6.404 7.901 1.00 0.00 O ATOM 0 H SER A 33 0.254 -4.025 7.070 1.00 0.00 H new ATOM 0 HA SER A 33 -0.712 -6.410 6.138 1.00 0.00 H new ATOM 0 HB2 SER A 33 -0.254 -5.417 8.980 1.00 0.00 H new ATOM 0 HB3 SER A 33 -0.612 -7.092 8.610 1.00 0.00 H new ATOM 0 HG SER A 33 1.668 -6.682 8.712 1.00 0.00 H new ATOM 455 N HIS A 34 -2.959 -4.855 7.993 1.00 0.00 N ATOM 456 CA HIS A 34 -4.379 -4.815 8.325 1.00 0.00 C ATOM 457 C HIS A 34 -5.234 -4.822 7.061 1.00 0.00 C ATOM 458 O HIS A 34 -6.244 -5.523 6.987 1.00 0.00 O ATOM 459 CB HIS A 34 -4.693 -3.574 9.161 1.00 0.00 C ATOM 460 CG HIS A 34 -6.075 -3.038 8.942 1.00 0.00 C ATOM 461 ND1 HIS A 34 -7.201 -3.614 9.492 1.00 0.00 N ATOM 462 CD2 HIS A 34 -6.509 -1.972 8.229 1.00 0.00 C ATOM 463 CE1 HIS A 34 -8.268 -2.926 9.125 1.00 0.00 C ATOM 464 NE2 HIS A 34 -7.875 -1.925 8.359 1.00 0.00 N ATOM 0 H HIS A 34 -2.411 -4.092 8.390 1.00 0.00 H new ATOM 0 HA HIS A 34 -4.616 -5.706 8.907 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -4.569 -3.816 10.217 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -3.968 -2.795 8.926 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -5.895 -1.287 7.664 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -9.288 -3.145 9.404 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -8.487 -1.229 7.933 1.00 0.00 H new ATOM 472 N CYS A 35 -4.823 -4.037 6.071 1.00 0.00 N ATOM 473 CA CYS A 35 -5.552 -3.952 4.811 1.00 0.00 C ATOM 474 C CYS A 35 -5.389 -5.234 4.000 1.00 0.00 C ATOM 475 O CYS A 35 -6.235 -5.568 3.171 1.00 0.00 O ATOM 476 CB CYS A 35 -5.063 -2.753 3.995 1.00 0.00 C ATOM 477 SG CYS A 35 -5.160 -1.175 4.873 1.00 0.00 S ATOM 0 H CYS A 35 -3.989 -3.451 6.117 1.00 0.00 H new ATOM 0 HA CYS A 35 -6.610 -3.821 5.040 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -4.029 -2.928 3.696 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -5.652 -2.685 3.080 1.00 0.00 H new ATOM 0 HG CYS A 35 -6.368 -1.001 5.320 1.00 0.00 H new ATOM 483 N LYS A 36 -4.295 -5.947 4.245 1.00 0.00 N ATOM 484 CA LYS A 36 -4.020 -7.193 3.539 1.00 0.00 C ATOM 485 C LYS A 36 -4.861 -8.335 4.102 1.00 0.00 C ATOM 486 O LYS A 36 -5.104 -9.333 3.422 1.00 0.00 O ATOM 487 CB LYS A 36 -2.533 -7.542 3.640 1.00 0.00 C ATOM 488 CG LYS A 36 -1.626 -6.548 2.938 1.00 0.00 C ATOM 489 CD LYS A 36 -0.160 -6.839 3.214 1.00 0.00 C ATOM 490 CE LYS A 36 0.749 -5.853 2.496 1.00 0.00 C ATOM 491 NZ LYS A 36 2.151 -5.929 2.991 1.00 0.00 N ATOM 0 H LYS A 36 -3.584 -5.683 4.927 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.284 -7.054 2.491 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -2.252 -7.597 4.692 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -2.371 -8.532 3.214 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -1.809 -6.583 1.864 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -1.866 -5.538 3.270 1.00 0.00 H new ATOM 0 HD2 LYS A 36 0.026 -6.792 4.287 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.077 -7.854 2.894 1.00 0.00 H new ATOM 0 HE2 LYS A 36 0.731 -6.056 1.425 1.00 0.00 H new ATOM 0 HE3 LYS A 36 0.369 -4.841 2.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 2.807 -5.861 2.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 2.329 -5.145 3.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 2.297 -6.834 3.481 1.00 0.00 H new ATOM 505 N LEU A 37 -5.304 -8.181 5.344 1.00 0.00 N ATOM 506 CA LEU A 37 -6.119 -9.198 5.998 1.00 0.00 C ATOM 507 C LEU A 37 -7.604 -8.945 5.754 1.00 0.00 C ATOM 508 O LEU A 37 -8.365 -9.873 5.483 1.00 0.00 O ATOM 509 CB LEU A 37 -5.834 -9.222 7.500 1.00 0.00 C ATOM 510 CG LEU A 37 -4.376 -9.445 7.903 1.00 0.00 C ATOM 511 CD1 LEU A 37 -4.102 -8.841 9.272 1.00 0.00 C ATOM 512 CD2 LEU A 37 -4.041 -10.929 7.896 1.00 0.00 C ATOM 0 H LEU A 37 -5.112 -7.361 5.919 1.00 0.00 H new ATOM 0 HA LEU A 37 -5.859 -10.166 5.571 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -6.168 -8.277 7.928 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -6.439 -10.008 7.952 1.00 0.00 H new ATOM 0 HG LEU A 37 -3.738 -8.946 7.174 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.060 -9.010 9.542 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.301 -7.770 9.243 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -4.749 -9.310 10.013 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.999 -11.068 8.185 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.687 -11.451 8.602 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.197 -11.332 6.895 1.00 0.00 H new ATOM 524 N GLU A 38 -8.007 -7.682 5.852 1.00 0.00 N ATOM 525 CA GLU A 38 -9.401 -7.308 5.641 1.00 0.00 C ATOM 526 C GLU A 38 -9.627 -6.841 4.206 1.00 0.00 C ATOM 527 O GLU A 38 -10.379 -7.460 3.451 1.00 0.00 O ATOM 528 CB GLU A 38 -9.809 -6.203 6.618 1.00 0.00 C ATOM 529 CG GLU A 38 -9.604 -6.576 8.077 1.00 0.00 C ATOM 530 CD GLU A 38 -10.784 -7.332 8.657 1.00 0.00 C ATOM 531 OE1 GLU A 38 -11.014 -8.485 8.234 1.00 0.00 O ATOM 532 OE2 GLU A 38 -11.476 -6.773 9.532 1.00 0.00 O ATOM 0 H GLU A 38 -7.389 -6.902 6.076 1.00 0.00 H new ATOM 0 HA GLU A 38 -10.018 -8.188 5.821 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -9.234 -5.304 6.397 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -10.859 -5.957 6.458 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -8.705 -7.186 8.169 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -9.436 -5.670 8.660 1.00 0.00 H new ATOM 539 N HIS A 39 -8.972 -5.745 3.835 1.00 0.00 N ATOM 540 CA HIS A 39 -9.102 -5.195 2.491 1.00 0.00 C ATOM 541 C HIS A 39 -8.342 -6.048 1.479 1.00 0.00 C ATOM 542 O HIS A 39 -8.313 -5.736 0.289 1.00 0.00 O ATOM 543 CB HIS A 39 -8.584 -3.757 2.454 1.00 0.00 C ATOM 544 CG HIS A 39 -9.240 -2.858 3.457 1.00 0.00 C ATOM 545 ND1 HIS A 39 -10.577 -2.942 3.782 1.00 0.00 N ATOM 546 CD2 HIS A 39 -8.734 -1.854 4.210 1.00 0.00 C ATOM 547 CE1 HIS A 39 -10.866 -2.027 4.690 1.00 0.00 C ATOM 548 NE2 HIS A 39 -9.764 -1.353 4.967 1.00 0.00 N ATOM 0 H HIS A 39 -8.346 -5.221 4.446 1.00 0.00 H new ATOM 0 HA HIS A 39 -10.159 -5.200 2.223 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -7.509 -3.762 2.632 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -8.740 -3.349 1.455 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -7.710 -1.511 4.215 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -11.837 -1.859 5.131 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -9.690 -0.585 5.635 1.00 0.00 H new ATOM 556 N GLN A 40 -7.729 -7.124 1.962 1.00 0.00 N ATOM 557 CA GLN A 40 -6.968 -8.020 1.099 1.00 0.00 C ATOM 558 C GLN A 40 -6.196 -7.234 0.044 1.00 0.00 C ATOM 559 O GLN A 40 -5.955 -7.727 -1.059 1.00 0.00 O ATOM 560 CB GLN A 40 -7.901 -9.025 0.422 1.00 0.00 C ATOM 561 CG GLN A 40 -8.968 -9.585 1.350 1.00 0.00 C ATOM 562 CD GLN A 40 -9.411 -10.980 0.954 1.00 0.00 C ATOM 563 OE1 GLN A 40 -10.595 -11.227 0.727 1.00 0.00 O ATOM 564 NE2 GLN A 40 -8.459 -11.902 0.870 1.00 0.00 N ATOM 0 H GLN A 40 -7.744 -7.396 2.945 1.00 0.00 H new ATOM 0 HA GLN A 40 -6.253 -8.560 1.719 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -8.386 -8.543 -0.427 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -7.308 -9.849 0.025 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -8.583 -9.606 2.370 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -9.831 -8.919 1.349 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -7.490 -11.653 1.067 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -8.697 -12.859 0.609 1.00 0.00 H new ATOM 573 N PHE A 41 -5.811 -6.010 0.389 1.00 0.00 N ATOM 574 CA PHE A 41 -5.067 -5.155 -0.529 1.00 0.00 C ATOM 575 C PHE A 41 -3.617 -5.007 -0.080 1.00 0.00 C ATOM 576 O PHE A 41 -3.344 -4.595 1.046 1.00 0.00 O ATOM 577 CB PHE A 41 -5.727 -3.778 -0.625 1.00 0.00 C ATOM 578 CG PHE A 41 -4.786 -2.692 -1.062 1.00 0.00 C ATOM 579 CD1 PHE A 41 -3.914 -2.107 -0.158 1.00 0.00 C ATOM 580 CD2 PHE A 41 -4.773 -2.255 -2.377 1.00 0.00 C ATOM 581 CE1 PHE A 41 -3.046 -1.108 -0.557 1.00 0.00 C ATOM 582 CE2 PHE A 41 -3.908 -1.257 -2.782 1.00 0.00 C ATOM 583 CZ PHE A 41 -3.044 -0.682 -1.870 1.00 0.00 C ATOM 0 H PHE A 41 -6.002 -5.588 1.298 1.00 0.00 H new ATOM 0 HA PHE A 41 -5.078 -5.624 -1.513 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -6.559 -3.831 -1.327 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -6.146 -3.516 0.347 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -3.912 -2.436 0.871 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -5.447 -2.700 -3.094 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -2.370 -0.661 0.157 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -3.907 -0.927 -3.810 1.00 0.00 H new ATOM 0 HZ PHE A 41 -2.368 0.100 -2.184 1.00 0.00 H new ATOM 593 N ASN A 42 -2.690 -5.348 -0.970 1.00 0.00 N ATOM 594 CA ASN A 42 -1.267 -5.254 -0.666 1.00 0.00 C ATOM 595 C ASN A 42 -0.633 -4.070 -1.390 1.00 0.00 C ATOM 596 O ASN A 42 -1.077 -3.680 -2.470 1.00 0.00 O ATOM 597 CB ASN A 42 -0.554 -6.549 -1.061 1.00 0.00 C ATOM 598 CG ASN A 42 -1.259 -7.783 -0.531 1.00 0.00 C ATOM 599 OD1 ASN A 42 -2.480 -7.906 -0.636 1.00 0.00 O ATOM 600 ND2 ASN A 42 -0.492 -8.702 0.042 1.00 0.00 N ATOM 0 H ASN A 42 -2.899 -5.692 -1.907 1.00 0.00 H new ATOM 0 HA ASN A 42 -1.159 -5.100 0.408 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -0.491 -6.609 -2.148 1.00 0.00 H new ATOM 0 HB3 ASN A 42 0.468 -6.527 -0.683 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -0.910 -9.553 0.418 1.00 0.00 H new ATOM 0 HD22 ASN A 42 0.516 -8.557 0.107 1.00 0.00 H new ATOM 607 N ILE A 43 0.407 -3.504 -0.787 1.00 0.00 N ATOM 608 CA ILE A 43 1.103 -2.366 -1.374 1.00 0.00 C ATOM 609 C ILE A 43 2.308 -2.820 -2.191 1.00 0.00 C ATOM 610 O ILE A 43 2.500 -2.387 -3.327 1.00 0.00 O ATOM 611 CB ILE A 43 1.574 -1.375 -0.294 1.00 0.00 C ATOM 612 CG1 ILE A 43 2.254 -0.166 -0.940 1.00 0.00 C ATOM 613 CG2 ILE A 43 2.518 -2.062 0.681 1.00 0.00 C ATOM 614 CD1 ILE A 43 1.295 0.752 -1.664 1.00 0.00 C ATOM 0 H ILE A 43 0.786 -3.815 0.107 1.00 0.00 H new ATOM 0 HA ILE A 43 0.390 -1.865 -2.029 1.00 0.00 H new ATOM 0 HB ILE A 43 0.703 -1.025 0.260 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.776 0.402 -0.170 1.00 0.00 H new ATOM 0 HG13 ILE A 43 3.009 -0.517 -1.643 1.00 0.00 H new ATOM 0 HG21 ILE A 43 2.842 -1.348 1.438 1.00 0.00 H new ATOM 0 HG22 ILE A 43 2.002 -2.893 1.163 1.00 0.00 H new ATOM 0 HG23 ILE A 43 3.387 -2.438 0.142 1.00 0.00 H new ATOM 0 HD11 ILE A 43 1.847 1.586 -2.097 1.00 0.00 H new ATOM 0 HD12 ILE A 43 0.791 0.200 -2.457 1.00 0.00 H new ATOM 0 HD13 ILE A 43 0.555 1.133 -0.960 1.00 0.00 H new ATOM 626 N ASP A 44 3.116 -3.697 -1.604 1.00 0.00 N ATOM 627 CA ASP A 44 4.302 -4.213 -2.278 1.00 0.00 C ATOM 628 C ASP A 44 3.955 -4.727 -3.672 1.00 0.00 C ATOM 629 O ASP A 44 4.689 -4.492 -4.631 1.00 0.00 O ATOM 630 CB ASP A 44 4.937 -5.333 -1.452 1.00 0.00 C ATOM 631 CG ASP A 44 3.904 -6.185 -0.741 1.00 0.00 C ATOM 632 OD1 ASP A 44 3.379 -5.736 0.299 1.00 0.00 O ATOM 633 OD2 ASP A 44 3.621 -7.300 -1.225 1.00 0.00 O ATOM 0 H ASP A 44 2.971 -4.065 -0.664 1.00 0.00 H new ATOM 0 HA ASP A 44 5.016 -3.396 -2.379 1.00 0.00 H new ATOM 0 HB2 ASP A 44 5.538 -5.966 -2.105 1.00 0.00 H new ATOM 0 HB3 ASP A 44 5.614 -4.899 -0.716 1.00 0.00 H new ATOM 638 N SER A 45 2.831 -5.429 -3.775 1.00 0.00 N ATOM 639 CA SER A 45 2.389 -5.980 -5.051 1.00 0.00 C ATOM 640 C SER A 45 2.134 -4.868 -6.064 1.00 0.00 C ATOM 641 O SER A 45 2.470 -4.997 -7.241 1.00 0.00 O ATOM 642 CB SER A 45 1.119 -6.812 -4.858 1.00 0.00 C ATOM 643 OG SER A 45 0.823 -7.567 -6.020 1.00 0.00 O ATOM 0 H SER A 45 2.210 -5.630 -2.991 1.00 0.00 H new ATOM 0 HA SER A 45 3.181 -6.623 -5.436 1.00 0.00 H new ATOM 0 HB2 SER A 45 1.245 -7.482 -4.007 1.00 0.00 H new ATOM 0 HB3 SER A 45 0.282 -6.154 -4.625 1.00 0.00 H new ATOM 0 HG SER A 45 0.008 -8.091 -5.871 1.00 0.00 H new ATOM 649 N MET A 46 1.537 -3.777 -5.597 1.00 0.00 N ATOM 650 CA MET A 46 1.238 -2.641 -6.461 1.00 0.00 C ATOM 651 C MET A 46 2.520 -1.968 -6.939 1.00 0.00 C ATOM 652 O MET A 46 2.679 -1.682 -8.125 1.00 0.00 O ATOM 653 CB MET A 46 0.360 -1.628 -5.723 1.00 0.00 C ATOM 654 CG MET A 46 -0.872 -2.245 -5.082 1.00 0.00 C ATOM 655 SD MET A 46 -2.129 -2.702 -6.291 1.00 0.00 S ATOM 656 CE MET A 46 -2.601 -1.091 -6.915 1.00 0.00 C ATOM 0 H MET A 46 1.251 -3.655 -4.626 1.00 0.00 H new ATOM 0 HA MET A 46 0.698 -3.012 -7.332 1.00 0.00 H new ATOM 0 HB2 MET A 46 0.954 -1.138 -4.951 1.00 0.00 H new ATOM 0 HB3 MET A 46 0.046 -0.854 -6.423 1.00 0.00 H new ATOM 0 HG2 MET A 46 -0.578 -3.130 -4.517 1.00 0.00 H new ATOM 0 HG3 MET A 46 -1.298 -1.539 -4.370 1.00 0.00 H new ATOM 0 HE1 MET A 46 -3.688 -1.028 -6.976 1.00 0.00 H new ATOM 0 HE2 MET A 46 -2.230 -0.317 -6.243 1.00 0.00 H new ATOM 0 HE3 MET A 46 -2.173 -0.945 -7.907 1.00 0.00 H new ATOM 666 N VAL A 47 3.434 -1.717 -6.006 1.00 0.00 N ATOM 667 CA VAL A 47 4.703 -1.078 -6.332 1.00 0.00 C ATOM 668 C VAL A 47 5.400 -1.795 -7.483 1.00 0.00 C ATOM 669 O VAL A 47 6.065 -1.167 -8.308 1.00 0.00 O ATOM 670 CB VAL A 47 5.646 -1.049 -5.114 1.00 0.00 C ATOM 671 CG1 VAL A 47 6.978 -0.414 -5.485 1.00 0.00 C ATOM 672 CG2 VAL A 47 4.997 -0.308 -3.956 1.00 0.00 C ATOM 0 H VAL A 47 3.319 -1.947 -5.019 1.00 0.00 H new ATOM 0 HA VAL A 47 4.475 -0.055 -6.630 1.00 0.00 H new ATOM 0 HB VAL A 47 5.835 -2.075 -4.798 1.00 0.00 H new ATOM 0 HG11 VAL A 47 7.631 -0.402 -4.612 1.00 0.00 H new ATOM 0 HG12 VAL A 47 7.447 -0.992 -6.282 1.00 0.00 H new ATOM 0 HG13 VAL A 47 6.811 0.607 -5.827 1.00 0.00 H new ATOM 0 HG21 VAL A 47 5.677 -0.297 -3.104 1.00 0.00 H new ATOM 0 HG22 VAL A 47 4.776 0.716 -4.257 1.00 0.00 H new ATOM 0 HG23 VAL A 47 4.072 -0.811 -3.675 1.00 0.00 H new ATOM 682 N HIS A 48 5.242 -3.113 -7.534 1.00 0.00 N ATOM 683 CA HIS A 48 5.856 -3.917 -8.586 1.00 0.00 C ATOM 684 C HIS A 48 4.937 -4.014 -9.800 1.00 0.00 C ATOM 685 O HIS A 48 5.296 -3.590 -10.899 1.00 0.00 O ATOM 686 CB HIS A 48 6.180 -5.317 -8.064 1.00 0.00 C ATOM 687 CG HIS A 48 7.340 -5.349 -7.117 1.00 0.00 C ATOM 688 ND1 HIS A 48 8.648 -5.187 -7.523 1.00 0.00 N ATOM 689 CD2 HIS A 48 7.383 -5.525 -5.775 1.00 0.00 C ATOM 690 CE1 HIS A 48 9.445 -5.263 -6.473 1.00 0.00 C ATOM 691 NE2 HIS A 48 8.703 -5.467 -5.400 1.00 0.00 N ATOM 0 H HIS A 48 4.694 -3.648 -6.860 1.00 0.00 H new ATOM 0 HA HIS A 48 6.782 -3.428 -8.890 1.00 0.00 H new ATOM 0 HB2 HIS A 48 5.301 -5.721 -7.563 1.00 0.00 H new ATOM 0 HB3 HIS A 48 6.394 -5.971 -8.910 1.00 0.00 H new ATOM 0 HD2 HIS A 48 6.537 -5.682 -5.122 1.00 0.00 H new ATOM 0 HE1 HIS A 48 10.521 -5.173 -6.489 1.00 0.00 H new ATOM 0 HE2 HIS A 48 9.053 -5.566 -4.447 1.00 0.00 H new ATOM 699 N LYS A 49 3.751 -4.576 -9.595 1.00 0.00 N ATOM 700 CA LYS A 49 2.780 -4.729 -10.672 1.00 0.00 C ATOM 701 C LYS A 49 2.854 -3.554 -11.642 1.00 0.00 C ATOM 702 O LYS A 49 3.279 -3.707 -12.788 1.00 0.00 O ATOM 703 CB LYS A 49 1.366 -4.843 -10.099 1.00 0.00 C ATOM 704 CG LYS A 49 0.384 -5.527 -11.034 1.00 0.00 C ATOM 705 CD LYS A 49 -0.921 -5.857 -10.329 1.00 0.00 C ATOM 706 CE LYS A 49 -1.922 -4.717 -10.447 1.00 0.00 C ATOM 707 NZ LYS A 49 -1.784 -3.741 -9.331 1.00 0.00 N ATOM 0 H LYS A 49 3.439 -4.933 -8.692 1.00 0.00 H new ATOM 0 HA LYS A 49 3.019 -5.642 -11.216 1.00 0.00 H new ATOM 0 HB2 LYS A 49 1.407 -5.396 -9.161 1.00 0.00 H new ATOM 0 HB3 LYS A 49 0.996 -3.845 -9.865 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.183 -4.881 -11.888 1.00 0.00 H new ATOM 0 HG3 LYS A 49 0.829 -6.442 -11.424 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -1.348 -6.764 -10.758 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -0.725 -6.063 -9.277 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -1.778 -4.204 -11.398 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -2.934 -5.121 -10.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -2.062 -2.795 -9.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -2.398 -4.027 -8.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -0.795 -3.719 -9.009 1.00 0.00 H new ATOM 721 N HIS A 50 2.438 -2.381 -11.176 1.00 0.00 N ATOM 722 CA HIS A 50 2.459 -1.179 -12.002 1.00 0.00 C ATOM 723 C HIS A 50 3.868 -0.599 -12.083 1.00 0.00 C ATOM 724 O HIS A 50 4.206 0.110 -13.030 1.00 0.00 O ATOM 725 CB HIS A 50 1.496 -0.132 -11.442 1.00 0.00 C ATOM 726 CG HIS A 50 0.053 -0.503 -11.593 1.00 0.00 C ATOM 727 ND1 HIS A 50 -0.521 -0.814 -12.808 1.00 0.00 N ATOM 728 CD2 HIS A 50 -0.933 -0.615 -10.673 1.00 0.00 C ATOM 729 CE1 HIS A 50 -1.798 -1.099 -12.628 1.00 0.00 C ATOM 730 NE2 HIS A 50 -2.074 -0.986 -11.342 1.00 0.00 N ATOM 0 H HIS A 50 2.082 -2.237 -10.231 1.00 0.00 H new ATOM 0 HA HIS A 50 2.140 -1.454 -13.007 1.00 0.00 H new ATOM 0 HB2 HIS A 50 1.714 0.022 -10.385 1.00 0.00 H new ATOM 0 HB3 HIS A 50 1.673 0.818 -11.946 1.00 0.00 H new ATOM 0 HD1 HIS A 50 -0.035 -0.823 -13.705 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -0.840 -0.444 -9.611 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -2.498 -1.377 -13.402 1.00 0.00 H new ATOM 738 N GLY A 51 4.688 -0.907 -11.082 1.00 0.00 N ATOM 739 CA GLY A 51 6.050 -0.408 -11.058 1.00 0.00 C ATOM 740 C GLY A 51 6.139 1.012 -10.534 1.00 0.00 C ATOM 741 O GLY A 51 6.898 1.829 -11.057 1.00 0.00 O ATOM 0 H GLY A 51 4.433 -1.493 -10.287 1.00 0.00 H new ATOM 0 HA2 GLY A 51 6.662 -1.061 -10.435 1.00 0.00 H new ATOM 0 HA3 GLY A 51 6.466 -0.447 -12.065 1.00 0.00 H new ATOM 745 N LEU A 52 5.360 1.308 -9.499 1.00 0.00 N ATOM 746 CA LEU A 52 5.352 2.640 -8.905 1.00 0.00 C ATOM 747 C LEU A 52 6.761 3.067 -8.506 1.00 0.00 C ATOM 748 O LEU A 52 7.542 2.263 -7.997 1.00 0.00 O ATOM 749 CB LEU A 52 4.433 2.669 -7.682 1.00 0.00 C ATOM 750 CG LEU A 52 2.945 2.450 -7.956 1.00 0.00 C ATOM 751 CD1 LEU A 52 2.224 2.029 -6.685 1.00 0.00 C ATOM 752 CD2 LEU A 52 2.318 3.711 -8.533 1.00 0.00 C ATOM 0 H LEU A 52 4.726 0.644 -9.054 1.00 0.00 H new ATOM 0 HA LEU A 52 4.977 3.341 -9.651 1.00 0.00 H new ATOM 0 HB2 LEU A 52 4.769 1.905 -6.981 1.00 0.00 H new ATOM 0 HB3 LEU A 52 4.553 3.632 -7.185 1.00 0.00 H new ATOM 0 HG LEU A 52 2.845 1.649 -8.689 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.166 1.878 -6.900 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.655 1.100 -6.313 1.00 0.00 H new ATOM 0 HD13 LEU A 52 2.333 2.807 -5.930 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.259 3.537 -8.722 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.430 4.531 -7.823 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.815 3.970 -9.468 1.00 0.00 H new ATOM 764 N GLU A 53 7.078 4.337 -8.738 1.00 0.00 N ATOM 765 CA GLU A 53 8.393 4.870 -8.401 1.00 0.00 C ATOM 766 C GLU A 53 8.328 5.718 -7.134 1.00 0.00 C ATOM 767 O GLU A 53 7.252 5.947 -6.582 1.00 0.00 O ATOM 768 CB GLU A 53 8.941 5.705 -9.560 1.00 0.00 C ATOM 769 CG GLU A 53 7.866 6.443 -10.340 1.00 0.00 C ATOM 770 CD GLU A 53 7.273 5.603 -11.454 1.00 0.00 C ATOM 771 OE1 GLU A 53 7.345 4.360 -11.362 1.00 0.00 O ATOM 772 OE2 GLU A 53 6.737 6.189 -12.418 1.00 0.00 O ATOM 0 H GLU A 53 6.443 5.016 -9.158 1.00 0.00 H new ATOM 0 HA GLU A 53 9.063 4.029 -8.220 1.00 0.00 H new ATOM 0 HB2 GLU A 53 9.656 6.429 -9.169 1.00 0.00 H new ATOM 0 HB3 GLU A 53 9.488 5.052 -10.240 1.00 0.00 H new ATOM 0 HG2 GLU A 53 7.072 6.748 -9.658 1.00 0.00 H new ATOM 0 HG3 GLU A 53 8.290 7.354 -10.763 1.00 0.00 H new ATOM 779 N PHE A 54 9.488 6.180 -6.679 1.00 0.00 N ATOM 780 CA PHE A 54 9.564 7.001 -5.476 1.00 0.00 C ATOM 781 C PHE A 54 8.341 7.907 -5.357 1.00 0.00 C ATOM 782 O PHE A 54 7.603 7.846 -4.373 1.00 0.00 O ATOM 783 CB PHE A 54 10.839 7.847 -5.490 1.00 0.00 C ATOM 784 CG PHE A 54 10.771 9.050 -4.594 1.00 0.00 C ATOM 785 CD1 PHE A 54 10.277 8.942 -3.304 1.00 0.00 C ATOM 786 CD2 PHE A 54 11.199 10.289 -5.042 1.00 0.00 C ATOM 787 CE1 PHE A 54 10.213 10.048 -2.476 1.00 0.00 C ATOM 788 CE2 PHE A 54 11.138 11.398 -4.219 1.00 0.00 C ATOM 789 CZ PHE A 54 10.644 11.277 -2.935 1.00 0.00 C ATOM 0 H PHE A 54 10.388 6.000 -7.125 1.00 0.00 H new ATOM 0 HA PHE A 54 9.587 6.335 -4.613 1.00 0.00 H new ATOM 0 HB2 PHE A 54 11.681 7.225 -5.186 1.00 0.00 H new ATOM 0 HB3 PHE A 54 11.036 8.175 -6.511 1.00 0.00 H new ATOM 0 HD1 PHE A 54 9.938 7.983 -2.941 1.00 0.00 H new ATOM 0 HD2 PHE A 54 11.585 10.390 -6.046 1.00 0.00 H new ATOM 0 HE1 PHE A 54 9.827 9.951 -1.472 1.00 0.00 H new ATOM 0 HE2 PHE A 54 11.476 12.358 -4.580 1.00 0.00 H new ATOM 0 HZ PHE A 54 10.595 12.142 -2.291 1.00 0.00 H new ATOM 799 N TYR A 55 8.134 8.746 -6.366 1.00 0.00 N ATOM 800 CA TYR A 55 7.004 9.667 -6.374 1.00 0.00 C ATOM 801 C TYR A 55 5.693 8.918 -6.598 1.00 0.00 C ATOM 802 O TYR A 55 4.715 9.127 -5.881 1.00 0.00 O ATOM 803 CB TYR A 55 7.190 10.727 -7.461 1.00 0.00 C ATOM 804 CG TYR A 55 8.052 11.892 -7.028 1.00 0.00 C ATOM 805 CD1 TYR A 55 7.783 12.582 -5.853 1.00 0.00 C ATOM 806 CD2 TYR A 55 9.136 12.302 -7.795 1.00 0.00 C ATOM 807 CE1 TYR A 55 8.567 13.647 -5.454 1.00 0.00 C ATOM 808 CE2 TYR A 55 9.927 13.365 -7.403 1.00 0.00 C ATOM 809 CZ TYR A 55 9.638 14.035 -6.233 1.00 0.00 C ATOM 810 OH TYR A 55 10.422 15.094 -5.839 1.00 0.00 O ATOM 0 H TYR A 55 8.734 8.807 -7.189 1.00 0.00 H new ATOM 0 HA TYR A 55 6.961 10.157 -5.401 1.00 0.00 H new ATOM 0 HB2 TYR A 55 7.638 10.261 -8.339 1.00 0.00 H new ATOM 0 HB3 TYR A 55 6.212 11.102 -7.763 1.00 0.00 H new ATOM 0 HD1 TYR A 55 6.946 12.281 -5.241 1.00 0.00 H new ATOM 0 HD2 TYR A 55 9.364 11.781 -8.713 1.00 0.00 H new ATOM 0 HE1 TYR A 55 8.343 14.173 -4.538 1.00 0.00 H new ATOM 0 HE2 TYR A 55 10.767 13.669 -8.010 1.00 0.00 H new ATOM 0 HH TYR A 55 11.134 15.237 -6.497 1.00 0.00 H new ATOM 820 N GLY A 56 5.682 8.044 -7.600 1.00 0.00 N ATOM 821 CA GLY A 56 4.488 7.276 -7.902 1.00 0.00 C ATOM 822 C GLY A 56 3.806 6.752 -6.654 1.00 0.00 C ATOM 823 O GLY A 56 2.640 7.058 -6.401 1.00 0.00 O ATOM 0 H GLY A 56 6.479 7.854 -8.208 1.00 0.00 H new ATOM 0 HA2 GLY A 56 3.789 7.900 -8.459 1.00 0.00 H new ATOM 0 HA3 GLY A 56 4.752 6.438 -8.547 1.00 0.00 H new ATOM 827 N TYR A 57 4.531 5.958 -5.874 1.00 0.00 N ATOM 828 CA TYR A 57 3.987 5.386 -4.648 1.00 0.00 C ATOM 829 C TYR A 57 3.217 6.435 -3.853 1.00 0.00 C ATOM 830 O TYR A 57 2.139 6.161 -3.323 1.00 0.00 O ATOM 831 CB TYR A 57 5.111 4.803 -3.790 1.00 0.00 C ATOM 832 CG TYR A 57 4.714 4.571 -2.349 1.00 0.00 C ATOM 833 CD1 TYR A 57 3.927 3.484 -1.992 1.00 0.00 C ATOM 834 CD2 TYR A 57 5.127 5.440 -1.346 1.00 0.00 C ATOM 835 CE1 TYR A 57 3.561 3.269 -0.677 1.00 0.00 C ATOM 836 CE2 TYR A 57 4.768 5.231 -0.029 1.00 0.00 C ATOM 837 CZ TYR A 57 3.985 4.145 0.301 1.00 0.00 C ATOM 838 OH TYR A 57 3.624 3.934 1.612 1.00 0.00 O ATOM 0 H TYR A 57 5.497 5.696 -6.069 1.00 0.00 H new ATOM 0 HA TYR A 57 3.298 4.588 -4.924 1.00 0.00 H new ATOM 0 HB2 TYR A 57 5.436 3.858 -4.225 1.00 0.00 H new ATOM 0 HB3 TYR A 57 5.966 5.478 -3.818 1.00 0.00 H new ATOM 0 HD1 TYR A 57 3.595 2.795 -2.755 1.00 0.00 H new ATOM 0 HD2 TYR A 57 5.739 6.293 -1.601 1.00 0.00 H new ATOM 0 HE1 TYR A 57 2.946 2.420 -0.416 1.00 0.00 H new ATOM 0 HE2 TYR A 57 5.099 5.915 0.739 1.00 0.00 H new ATOM 0 HH TYR A 57 4.152 4.518 2.195 1.00 0.00 H new ATOM 848 N ILE A 58 3.777 7.638 -3.774 1.00 0.00 N ATOM 849 CA ILE A 58 3.143 8.729 -3.046 1.00 0.00 C ATOM 850 C ILE A 58 1.742 9.006 -3.580 1.00 0.00 C ATOM 851 O ILE A 58 0.797 9.191 -2.812 1.00 0.00 O ATOM 852 CB ILE A 58 3.977 10.021 -3.129 1.00 0.00 C ATOM 853 CG1 ILE A 58 5.403 9.766 -2.638 1.00 0.00 C ATOM 854 CG2 ILE A 58 3.321 11.128 -2.317 1.00 0.00 C ATOM 855 CD1 ILE A 58 6.319 10.959 -2.797 1.00 0.00 C ATOM 0 H ILE A 58 4.669 7.881 -4.206 1.00 0.00 H new ATOM 0 HA ILE A 58 3.076 8.416 -2.004 1.00 0.00 H new ATOM 0 HB ILE A 58 4.023 10.340 -4.170 1.00 0.00 H new ATOM 0 HG12 ILE A 58 5.371 9.480 -1.587 1.00 0.00 H new ATOM 0 HG13 ILE A 58 5.821 8.921 -3.185 1.00 0.00 H new ATOM 0 HG21 ILE A 58 3.922 12.035 -2.386 1.00 0.00 H new ATOM 0 HG22 ILE A 58 2.323 11.324 -2.709 1.00 0.00 H new ATOM 0 HG23 ILE A 58 3.247 10.819 -1.274 1.00 0.00 H new ATOM 0 HD11 ILE A 58 7.313 10.706 -2.428 1.00 0.00 H new ATOM 0 HD12 ILE A 58 6.381 11.232 -3.850 1.00 0.00 H new ATOM 0 HD13 ILE A 58 5.924 11.800 -2.227 1.00 0.00 H new ATOM 867 N LYS A 59 1.613 9.032 -4.902 1.00 0.00 N ATOM 868 CA LYS A 59 0.327 9.283 -5.542 1.00 0.00 C ATOM 869 C LYS A 59 -0.676 8.188 -5.195 1.00 0.00 C ATOM 870 O LYS A 59 -1.852 8.463 -4.951 1.00 0.00 O ATOM 871 CB LYS A 59 0.498 9.371 -7.060 1.00 0.00 C ATOM 872 CG LYS A 59 1.473 10.449 -7.501 1.00 0.00 C ATOM 873 CD LYS A 59 1.504 10.587 -9.014 1.00 0.00 C ATOM 874 CE LYS A 59 2.808 11.209 -9.490 1.00 0.00 C ATOM 875 NZ LYS A 59 3.006 11.030 -10.955 1.00 0.00 N ATOM 0 H LYS A 59 2.385 8.882 -5.552 1.00 0.00 H new ATOM 0 HA LYS A 59 -0.056 10.233 -5.170 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.841 8.407 -7.435 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -0.473 9.563 -7.516 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.190 11.402 -7.053 1.00 0.00 H new ATOM 0 HG3 LYS A 59 2.472 10.209 -7.136 1.00 0.00 H new ATOM 0 HD2 LYS A 59 1.379 9.606 -9.473 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.665 11.202 -9.342 1.00 0.00 H new ATOM 0 HE2 LYS A 59 2.812 12.272 -9.250 1.00 0.00 H new ATOM 0 HE3 LYS A 59 3.643 10.758 -8.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 3.905 11.468 -11.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 3.028 10.015 -11.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 2.223 11.482 -11.469 1.00 0.00 H new ATOM 889 N LEU A 60 -0.205 6.946 -5.174 1.00 0.00 N ATOM 890 CA LEU A 60 -1.061 5.808 -4.855 1.00 0.00 C ATOM 891 C LEU A 60 -1.728 5.993 -3.495 1.00 0.00 C ATOM 892 O LEU A 60 -2.937 5.807 -3.356 1.00 0.00 O ATOM 893 CB LEU A 60 -0.247 4.514 -4.865 1.00 0.00 C ATOM 894 CG LEU A 60 -1.036 3.222 -4.647 1.00 0.00 C ATOM 895 CD1 LEU A 60 -1.324 3.016 -3.168 1.00 0.00 C ATOM 896 CD2 LEU A 60 -2.331 3.247 -5.445 1.00 0.00 C ATOM 0 H LEU A 60 0.765 6.701 -5.374 1.00 0.00 H new ATOM 0 HA LEU A 60 -1.839 5.746 -5.615 1.00 0.00 H new ATOM 0 HB2 LEU A 60 0.272 4.442 -5.821 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.518 4.584 -4.092 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.432 2.386 -4.999 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.886 2.092 -3.032 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.384 2.953 -2.620 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.909 3.855 -2.791 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.879 2.320 -5.278 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.940 4.092 -5.124 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.103 3.347 -6.506 1.00 0.00 H new ATOM 908 N ILE A 61 -0.932 6.360 -2.497 1.00 0.00 N ATOM 909 CA ILE A 61 -1.445 6.573 -1.150 1.00 0.00 C ATOM 910 C ILE A 61 -2.465 7.707 -1.123 1.00 0.00 C ATOM 911 O ILE A 61 -3.651 7.483 -0.886 1.00 0.00 O ATOM 912 CB ILE A 61 -0.311 6.893 -0.159 1.00 0.00 C ATOM 913 CG1 ILE A 61 0.722 5.765 -0.150 1.00 0.00 C ATOM 914 CG2 ILE A 61 -0.874 7.114 1.237 1.00 0.00 C ATOM 915 CD1 ILE A 61 0.173 4.447 0.351 1.00 0.00 C ATOM 0 H ILE A 61 0.071 6.516 -2.596 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.929 5.645 -0.847 1.00 0.00 H new ATOM 0 HB ILE A 61 0.183 7.810 -0.480 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.108 5.628 -1.160 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.565 6.060 0.476 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -0.060 7.339 1.926 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.575 7.948 1.219 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.391 6.213 1.568 1.00 0.00 H new ATOM 0 HD11 ILE A 61 0.960 3.693 0.330 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.187 4.568 1.373 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -0.651 4.129 -0.288 1.00 0.00 H new ATOM 927 N ASN A 62 -1.993 8.925 -1.369 1.00 0.00 N ATOM 928 CA ASN A 62 -2.864 10.095 -1.374 1.00 0.00 C ATOM 929 C ASN A 62 -4.080 9.864 -2.265 1.00 0.00 C ATOM 930 O ASN A 62 -5.170 10.366 -1.989 1.00 0.00 O ATOM 931 CB ASN A 62 -2.094 11.327 -1.852 1.00 0.00 C ATOM 932 CG ASN A 62 -1.022 11.757 -0.869 1.00 0.00 C ATOM 933 OD1 ASN A 62 -1.137 11.522 0.334 1.00 0.00 O ATOM 934 ND2 ASN A 62 0.028 12.391 -1.378 1.00 0.00 N ATOM 0 H ASN A 62 -1.013 9.127 -1.567 1.00 0.00 H new ATOM 0 HA ASN A 62 -3.210 10.264 -0.354 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -1.634 11.113 -2.816 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -2.791 12.150 -2.008 1.00 0.00 H new ATOM 0 HD21 ASN A 62 0.781 12.704 -0.765 1.00 0.00 H new ATOM 0 HD22 ASN A 62 0.082 12.564 -2.382 1.00 0.00 H new ATOM 941 N PHE A 63 -3.886 9.100 -3.335 1.00 0.00 N ATOM 942 CA PHE A 63 -4.967 8.802 -4.268 1.00 0.00 C ATOM 943 C PHE A 63 -6.167 8.206 -3.538 1.00 0.00 C ATOM 944 O PHE A 63 -7.302 8.641 -3.729 1.00 0.00 O ATOM 945 CB PHE A 63 -4.482 7.835 -5.351 1.00 0.00 C ATOM 946 CG PHE A 63 -5.589 7.297 -6.212 1.00 0.00 C ATOM 947 CD1 PHE A 63 -6.212 8.107 -7.148 1.00 0.00 C ATOM 948 CD2 PHE A 63 -6.006 5.982 -6.087 1.00 0.00 C ATOM 949 CE1 PHE A 63 -7.231 7.615 -7.943 1.00 0.00 C ATOM 950 CE2 PHE A 63 -7.023 5.484 -6.879 1.00 0.00 C ATOM 951 CZ PHE A 63 -7.637 6.302 -7.807 1.00 0.00 C ATOM 0 H PHE A 63 -2.991 8.676 -3.578 1.00 0.00 H new ATOM 0 HA PHE A 63 -5.277 9.736 -4.737 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -3.755 8.345 -5.984 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -3.963 7.002 -4.877 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -5.898 9.135 -7.258 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -5.531 5.338 -5.362 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -7.708 8.256 -8.669 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -7.337 4.456 -6.772 1.00 0.00 H new ATOM 0 HZ PHE A 63 -8.434 5.915 -8.425 1.00 0.00 H new ATOM 961 N ILE A 64 -5.906 7.207 -2.701 1.00 0.00 N ATOM 962 CA ILE A 64 -6.963 6.551 -1.942 1.00 0.00 C ATOM 963 C ILE A 64 -7.528 7.479 -0.871 1.00 0.00 C ATOM 964 O ILE A 64 -8.696 7.374 -0.498 1.00 0.00 O ATOM 965 CB ILE A 64 -6.458 5.260 -1.271 1.00 0.00 C ATOM 966 CG1 ILE A 64 -5.746 4.373 -2.295 1.00 0.00 C ATOM 967 CG2 ILE A 64 -7.613 4.511 -0.626 1.00 0.00 C ATOM 968 CD1 ILE A 64 -5.275 3.053 -1.727 1.00 0.00 C ATOM 0 H ILE A 64 -4.972 6.835 -2.532 1.00 0.00 H new ATOM 0 HA ILE A 64 -7.750 6.297 -2.653 1.00 0.00 H new ATOM 0 HB ILE A 64 -5.745 5.528 -0.491 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -6.421 4.180 -3.129 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -4.889 4.913 -2.697 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -7.239 3.601 -0.156 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -8.081 5.143 0.129 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -8.348 4.251 -1.387 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -4.780 2.477 -2.508 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -4.575 3.237 -0.912 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -6.131 2.493 -1.350 1.00 0.00 H new ATOM 980 N ARG A 65 -6.691 8.388 -0.383 1.00 0.00 N ATOM 981 CA ARG A 65 -7.107 9.336 0.644 1.00 0.00 C ATOM 982 C ARG A 65 -8.128 10.325 0.090 1.00 0.00 C ATOM 983 O ARG A 65 -9.054 10.735 0.791 1.00 0.00 O ATOM 984 CB ARG A 65 -5.894 10.091 1.192 1.00 0.00 C ATOM 985 CG ARG A 65 -4.762 9.182 1.641 1.00 0.00 C ATOM 986 CD ARG A 65 -5.023 8.611 3.026 1.00 0.00 C ATOM 987 NE ARG A 65 -3.783 8.356 3.755 1.00 0.00 N ATOM 988 CZ ARG A 65 -3.740 7.788 4.955 1.00 0.00 C ATOM 989 NH1 ARG A 65 -4.861 7.418 5.558 1.00 0.00 N ATOM 990 NH2 ARG A 65 -2.573 7.590 5.555 1.00 0.00 N ATOM 0 H ARG A 65 -5.721 8.488 -0.682 1.00 0.00 H new ATOM 0 HA ARG A 65 -7.574 8.775 1.454 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -5.521 10.769 0.424 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -6.210 10.707 2.034 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -4.643 8.367 0.927 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -3.826 9.740 1.647 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -5.641 9.306 3.594 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -5.588 7.683 2.935 1.00 0.00 H new ATOM 0 HE ARG A 65 -2.902 8.629 3.319 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -5.760 7.569 5.101 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -4.825 6.982 6.479 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -1.708 7.874 5.095 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -2.541 7.154 6.476 1.00 0.00 H new ATOM 1004 N LEU A 66 -7.954 10.703 -1.171 1.00 0.00 N ATOM 1005 CA LEU A 66 -8.860 11.645 -1.820 1.00 0.00 C ATOM 1006 C LEU A 66 -10.037 10.915 -2.459 1.00 0.00 C ATOM 1007 O LEU A 66 -11.192 11.143 -2.101 1.00 0.00 O ATOM 1008 CB LEU A 66 -8.112 12.456 -2.878 1.00 0.00 C ATOM 1009 CG LEU A 66 -8.756 13.780 -3.289 1.00 0.00 C ATOM 1010 CD1 LEU A 66 -7.693 14.788 -3.696 1.00 0.00 C ATOM 1011 CD2 LEU A 66 -9.749 13.562 -4.422 1.00 0.00 C ATOM 0 H LEU A 66 -7.194 10.372 -1.765 1.00 0.00 H new ATOM 0 HA LEU A 66 -9.247 12.323 -1.059 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -7.109 12.663 -2.506 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -8.000 11.838 -3.769 1.00 0.00 H new ATOM 0 HG LEU A 66 -9.296 14.180 -2.431 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -8.171 15.724 -3.985 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -7.022 14.968 -2.856 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -7.123 14.396 -4.539 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -10.197 14.515 -4.701 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -9.232 13.138 -5.283 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -10.530 12.876 -4.094 1.00 0.00 H new ATOM 1023 N LYS A 67 -9.735 10.034 -3.407 1.00 0.00 N ATOM 1024 CA LYS A 67 -10.766 9.267 -4.096 1.00 0.00 C ATOM 1025 C LYS A 67 -11.528 8.379 -3.117 1.00 0.00 C ATOM 1026 O LYS A 67 -12.759 8.358 -3.113 1.00 0.00 O ATOM 1027 CB LYS A 67 -10.142 8.409 -5.199 1.00 0.00 C ATOM 1028 CG LYS A 67 -9.737 9.201 -6.430 1.00 0.00 C ATOM 1029 CD LYS A 67 -10.944 9.809 -7.124 1.00 0.00 C ATOM 1030 CE LYS A 67 -10.611 10.241 -8.544 1.00 0.00 C ATOM 1031 NZ LYS A 67 -11.749 10.954 -9.188 1.00 0.00 N ATOM 0 H LYS A 67 -8.784 9.833 -3.716 1.00 0.00 H new ATOM 0 HA LYS A 67 -11.468 9.970 -4.545 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -9.265 7.901 -4.800 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -10.852 7.636 -5.492 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -9.044 9.992 -6.143 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -9.207 8.550 -7.125 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -11.757 9.083 -7.144 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -11.298 10.668 -6.555 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -9.736 10.891 -8.530 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -10.348 9.366 -9.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -11.483 11.232 -10.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -12.577 10.325 -9.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -11.984 11.803 -8.636 1.00 0.00 H new ATOM 1045 N ASN A 68 -10.789 7.650 -2.288 1.00 0.00 N ATOM 1046 CA ASN A 68 -11.397 6.761 -1.303 1.00 0.00 C ATOM 1047 C ASN A 68 -12.198 5.658 -1.988 1.00 0.00 C ATOM 1048 O ASN A 68 -13.329 5.353 -1.611 1.00 0.00 O ATOM 1049 CB ASN A 68 -12.303 7.554 -0.360 1.00 0.00 C ATOM 1050 CG ASN A 68 -11.539 8.166 0.798 1.00 0.00 C ATOM 1051 OD1 ASN A 68 -11.316 7.517 1.821 1.00 0.00 O ATOM 1052 ND2 ASN A 68 -11.132 9.420 0.642 1.00 0.00 N ATOM 0 H ASN A 68 -9.769 7.657 -2.278 1.00 0.00 H new ATOM 0 HA ASN A 68 -10.597 6.299 -0.724 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -12.803 8.344 -0.920 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -13.082 6.898 0.029 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -10.612 9.884 1.387 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -11.339 9.920 -0.223 1.00 0.00 H new ATOM 1059 N PRO A 69 -11.598 5.043 -3.018 1.00 0.00 N ATOM 1060 CA PRO A 69 -12.236 3.963 -3.776 1.00 0.00 C ATOM 1061 C PRO A 69 -12.367 2.681 -2.961 1.00 0.00 C ATOM 1062 O PRO A 69 -12.111 2.670 -1.756 1.00 0.00 O ATOM 1063 CB PRO A 69 -11.287 3.750 -4.958 1.00 0.00 C ATOM 1064 CG PRO A 69 -9.962 4.224 -4.470 1.00 0.00 C ATOM 1065 CD PRO A 69 -10.250 5.355 -3.522 1.00 0.00 C ATOM 0 HA PRO A 69 -13.254 4.218 -4.070 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -11.249 2.701 -5.251 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -11.611 4.314 -5.833 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -9.421 3.422 -3.968 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -9.338 4.559 -5.299 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -9.519 5.398 -2.714 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -10.224 6.320 -4.028 1.00 0.00 H new ATOM 1073 N THR A 70 -12.767 1.601 -3.625 1.00 0.00 N ATOM 1074 CA THR A 70 -12.933 0.314 -2.961 1.00 0.00 C ATOM 1075 C THR A 70 -11.915 -0.701 -3.469 1.00 0.00 C ATOM 1076 O THR A 70 -11.448 -0.612 -4.605 1.00 0.00 O ATOM 1077 CB THR A 70 -14.351 -0.249 -3.172 1.00 0.00 C ATOM 1078 OG1 THR A 70 -14.529 -1.435 -2.391 1.00 0.00 O ATOM 1079 CG2 THR A 70 -14.597 -0.561 -4.640 1.00 0.00 C ATOM 0 H THR A 70 -12.982 1.592 -4.622 1.00 0.00 H new ATOM 0 HA THR A 70 -12.773 0.485 -1.896 1.00 0.00 H new ATOM 0 HB THR A 70 -15.069 0.507 -2.852 1.00 0.00 H new ATOM 0 HG1 THR A 70 -15.434 -1.785 -2.530 1.00 0.00 H new ATOM 0 HG21 THR A 70 -15.605 -0.957 -4.764 1.00 0.00 H new ATOM 0 HG22 THR A 70 -14.491 0.350 -5.228 1.00 0.00 H new ATOM 0 HG23 THR A 70 -13.872 -1.300 -4.981 1.00 0.00 H new ATOM 1087 N VAL A 71 -11.576 -1.667 -2.621 1.00 0.00 N ATOM 1088 CA VAL A 71 -10.614 -2.701 -2.985 1.00 0.00 C ATOM 1089 C VAL A 71 -10.865 -3.211 -4.400 1.00 0.00 C ATOM 1090 O VAL A 71 -10.016 -3.070 -5.280 1.00 0.00 O ATOM 1091 CB VAL A 71 -10.669 -3.889 -2.006 1.00 0.00 C ATOM 1092 CG1 VAL A 71 -9.729 -4.996 -2.457 1.00 0.00 C ATOM 1093 CG2 VAL A 71 -10.331 -3.431 -0.595 1.00 0.00 C ATOM 0 H VAL A 71 -11.953 -1.755 -1.677 1.00 0.00 H new ATOM 0 HA VAL A 71 -9.625 -2.245 -2.936 1.00 0.00 H new ATOM 0 HB VAL A 71 -11.683 -4.288 -2.000 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -9.781 -5.827 -1.753 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -10.022 -5.341 -3.448 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -8.709 -4.615 -2.493 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -10.374 -4.282 0.084 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -9.327 -3.006 -0.581 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -11.049 -2.675 -0.276 1.00 0.00 H new ATOM 1103 N GLU A 72 -12.036 -3.803 -4.611 1.00 0.00 N ATOM 1104 CA GLU A 72 -12.398 -4.335 -5.920 1.00 0.00 C ATOM 1105 C GLU A 72 -11.809 -3.478 -7.037 1.00 0.00 C ATOM 1106 O GLU A 72 -11.331 -3.997 -8.046 1.00 0.00 O ATOM 1107 CB GLU A 72 -13.920 -4.403 -6.064 1.00 0.00 C ATOM 1108 CG GLU A 72 -14.399 -5.568 -6.914 1.00 0.00 C ATOM 1109 CD GLU A 72 -15.669 -5.248 -7.678 1.00 0.00 C ATOM 1110 OE1 GLU A 72 -15.914 -4.055 -7.952 1.00 0.00 O ATOM 1111 OE2 GLU A 72 -16.419 -6.193 -8.003 1.00 0.00 O ATOM 0 H GLU A 72 -12.750 -3.926 -3.893 1.00 0.00 H new ATOM 0 HA GLU A 72 -11.987 -5.341 -6.001 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -14.367 -4.479 -5.073 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -14.277 -3.472 -6.504 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -13.615 -5.845 -7.619 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -14.572 -6.433 -6.274 1.00 0.00 H new ATOM 1118 N TYR A 73 -11.846 -2.164 -6.849 1.00 0.00 N ATOM 1119 CA TYR A 73 -11.319 -1.234 -7.841 1.00 0.00 C ATOM 1120 C TYR A 73 -9.794 -1.218 -7.815 1.00 0.00 C ATOM 1121 O TYR A 73 -9.143 -1.384 -8.846 1.00 0.00 O ATOM 1122 CB TYR A 73 -11.860 0.174 -7.589 1.00 0.00 C ATOM 1123 CG TYR A 73 -11.269 1.222 -8.505 1.00 0.00 C ATOM 1124 CD1 TYR A 73 -11.848 1.503 -9.736 1.00 0.00 C ATOM 1125 CD2 TYR A 73 -10.133 1.933 -8.138 1.00 0.00 C ATOM 1126 CE1 TYR A 73 -11.311 2.459 -10.576 1.00 0.00 C ATOM 1127 CE2 TYR A 73 -9.590 2.892 -8.971 1.00 0.00 C ATOM 1128 CZ TYR A 73 -10.182 3.151 -10.189 1.00 0.00 C ATOM 1129 OH TYR A 73 -9.645 4.105 -11.023 1.00 0.00 O ATOM 0 H TYR A 73 -12.236 -1.718 -6.018 1.00 0.00 H new ATOM 0 HA TYR A 73 -11.644 -1.569 -8.826 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -12.943 0.165 -7.711 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -11.658 0.452 -6.555 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -12.733 0.965 -10.042 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -9.666 1.732 -7.185 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -11.773 2.664 -11.531 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -8.707 3.436 -8.670 1.00 0.00 H new ATOM 0 HH TYR A 73 -9.645 4.974 -10.569 1.00 0.00 H new ATOM 1139 N MET A 74 -9.230 -1.016 -6.628 1.00 0.00 N ATOM 1140 CA MET A 74 -7.782 -0.980 -6.467 1.00 0.00 C ATOM 1141 C MET A 74 -7.128 -2.180 -7.145 1.00 0.00 C ATOM 1142 O MET A 74 -5.931 -2.169 -7.428 1.00 0.00 O ATOM 1143 CB MET A 74 -7.413 -0.955 -4.982 1.00 0.00 C ATOM 1144 CG MET A 74 -7.866 0.305 -4.264 1.00 0.00 C ATOM 1145 SD MET A 74 -7.345 1.811 -5.108 1.00 0.00 S ATOM 1146 CE MET A 74 -5.571 1.732 -4.876 1.00 0.00 C ATOM 0 H MET A 74 -9.754 -0.875 -5.764 1.00 0.00 H new ATOM 0 HA MET A 74 -7.412 -0.071 -6.942 1.00 0.00 H new ATOM 0 HB2 MET A 74 -7.856 -1.822 -4.491 1.00 0.00 H new ATOM 0 HB3 MET A 74 -6.332 -1.051 -4.883 1.00 0.00 H new ATOM 0 HG2 MET A 74 -8.953 0.299 -4.178 1.00 0.00 H new ATOM 0 HG3 MET A 74 -7.466 0.304 -3.250 1.00 0.00 H new ATOM 0 HE1 MET A 74 -5.183 2.734 -4.694 1.00 0.00 H new ATOM 0 HE2 MET A 74 -5.344 1.094 -4.022 1.00 0.00 H new ATOM 0 HE3 MET A 74 -5.105 1.320 -5.771 1.00 0.00 H new ATOM 1156 N ASN A 75 -7.923 -3.214 -7.402 1.00 0.00 N ATOM 1157 CA ASN A 75 -7.422 -4.422 -8.047 1.00 0.00 C ATOM 1158 C ASN A 75 -7.538 -4.318 -9.564 1.00 0.00 C ATOM 1159 O ASN A 75 -6.741 -4.899 -10.300 1.00 0.00 O ATOM 1160 CB ASN A 75 -8.190 -5.648 -7.548 1.00 0.00 C ATOM 1161 CG ASN A 75 -7.848 -6.000 -6.113 1.00 0.00 C ATOM 1162 OD1 ASN A 75 -6.820 -5.575 -5.586 1.00 0.00 O ATOM 1163 ND2 ASN A 75 -8.712 -6.780 -5.474 1.00 0.00 N ATOM 0 H ASN A 75 -8.917 -3.239 -7.173 1.00 0.00 H new ATOM 0 HA ASN A 75 -6.369 -4.531 -7.788 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -9.261 -5.460 -7.628 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -7.967 -6.499 -8.191 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -8.536 -7.050 -4.506 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -9.552 -7.109 -5.951 1.00 0.00 H new ATOM 1170 N SER A 76 -8.537 -3.572 -10.026 1.00 0.00 N ATOM 1171 CA SER A 76 -8.760 -3.393 -11.456 1.00 0.00 C ATOM 1172 C SER A 76 -8.278 -2.020 -11.913 1.00 0.00 C ATOM 1173 O SER A 76 -9.074 -1.096 -12.085 1.00 0.00 O ATOM 1174 CB SER A 76 -10.244 -3.562 -11.787 1.00 0.00 C ATOM 1175 OG SER A 76 -10.660 -4.903 -11.595 1.00 0.00 O ATOM 0 H SER A 76 -9.205 -3.082 -9.431 1.00 0.00 H new ATOM 0 HA SER A 76 -8.188 -4.154 -11.986 1.00 0.00 H new ATOM 0 HB2 SER A 76 -10.838 -2.900 -11.157 1.00 0.00 H new ATOM 0 HB3 SER A 76 -10.425 -3.266 -12.820 1.00 0.00 H new ATOM 0 HG SER A 76 -11.612 -4.984 -11.812 1.00 0.00 H new ATOM 1181 N ILE A 77 -6.970 -1.894 -12.110 1.00 0.00 N ATOM 1182 CA ILE A 77 -6.381 -0.635 -12.548 1.00 0.00 C ATOM 1183 C ILE A 77 -5.487 -0.841 -13.766 1.00 0.00 C ATOM 1184 O ILE A 77 -4.797 -1.855 -13.878 1.00 0.00 O ATOM 1185 CB ILE A 77 -5.558 0.023 -11.426 1.00 0.00 C ATOM 1186 CG1 ILE A 77 -6.397 0.145 -10.152 1.00 0.00 C ATOM 1187 CG2 ILE A 77 -5.055 1.389 -11.868 1.00 0.00 C ATOM 1188 CD1 ILE A 77 -5.676 0.839 -9.018 1.00 0.00 C ATOM 0 H ILE A 77 -6.298 -2.649 -11.973 1.00 0.00 H new ATOM 0 HA ILE A 77 -7.207 0.024 -12.814 1.00 0.00 H new ATOM 0 HB ILE A 77 -4.695 -0.608 -11.212 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -7.311 0.693 -10.380 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -6.695 -0.851 -9.826 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -4.475 1.841 -11.063 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -4.425 1.277 -12.751 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -5.904 2.029 -12.107 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -6.330 0.890 -8.148 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -4.776 0.280 -8.763 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -5.401 1.848 -9.325 1.00 0.00 H new ATOM 1200 N TYR A 78 -5.502 0.127 -14.675 1.00 0.00 N ATOM 1201 CA TYR A 78 -4.692 0.052 -15.885 1.00 0.00 C ATOM 1202 C TYR A 78 -4.269 1.444 -16.345 1.00 0.00 C ATOM 1203 O TYR A 78 -5.071 2.377 -16.354 1.00 0.00 O ATOM 1204 CB TYR A 78 -5.468 -0.652 -17.000 1.00 0.00 C ATOM 1205 CG TYR A 78 -6.919 -0.237 -17.082 1.00 0.00 C ATOM 1206 CD1 TYR A 78 -7.293 0.927 -17.743 1.00 0.00 C ATOM 1207 CD2 TYR A 78 -7.917 -1.009 -16.499 1.00 0.00 C ATOM 1208 CE1 TYR A 78 -8.618 1.310 -17.820 1.00 0.00 C ATOM 1209 CE2 TYR A 78 -9.244 -0.634 -16.573 1.00 0.00 C ATOM 1210 CZ TYR A 78 -9.590 0.526 -17.234 1.00 0.00 C ATOM 1211 OH TYR A 78 -10.911 0.903 -17.308 1.00 0.00 O ATOM 0 H TYR A 78 -6.066 0.973 -14.597 1.00 0.00 H new ATOM 0 HA TYR A 78 -3.795 -0.523 -15.656 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -4.985 -0.444 -17.955 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -5.415 -1.729 -16.844 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -6.535 1.543 -18.204 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -7.650 -1.917 -15.979 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -8.891 2.218 -18.336 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -10.007 -1.246 -16.115 1.00 0.00 H new ATOM 0 HH TYR A 78 -11.466 0.241 -16.845 1.00 0.00 H new ATOM 1221 N ASN A 79 -3.003 1.575 -16.727 1.00 0.00 N ATOM 1222 CA ASN A 79 -2.472 2.852 -17.189 1.00 0.00 C ATOM 1223 C ASN A 79 -3.292 3.392 -18.357 1.00 0.00 C ATOM 1224 O ASN A 79 -3.718 2.652 -19.244 1.00 0.00 O ATOM 1225 CB ASN A 79 -1.008 2.698 -17.608 1.00 0.00 C ATOM 1226 CG ASN A 79 -0.817 1.617 -18.653 1.00 0.00 C ATOM 1227 OD1 ASN A 79 -0.942 1.867 -19.852 1.00 0.00 O ATOM 1228 ND2 ASN A 79 -0.511 0.406 -18.202 1.00 0.00 N ATOM 0 H ASN A 79 -2.326 0.812 -16.726 1.00 0.00 H new ATOM 0 HA ASN A 79 -2.535 3.562 -16.365 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -0.643 3.647 -18.000 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -0.405 2.463 -16.731 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -0.370 -0.362 -18.858 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -0.417 0.244 -17.199 1.00 0.00 H new ATOM 1235 N PRO A 80 -3.519 4.714 -18.359 1.00 0.00 N ATOM 1236 CA PRO A 80 -3.018 5.605 -17.308 1.00 0.00 C ATOM 1237 C PRO A 80 -3.727 5.386 -15.976 1.00 0.00 C ATOM 1238 O PRO A 80 -4.944 5.208 -15.931 1.00 0.00 O ATOM 1239 CB PRO A 80 -3.323 7.003 -17.853 1.00 0.00 C ATOM 1240 CG PRO A 80 -4.471 6.805 -18.783 1.00 0.00 C ATOM 1241 CD PRO A 80 -4.284 5.441 -19.387 1.00 0.00 C ATOM 0 HA PRO A 80 -1.962 5.435 -17.099 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -3.579 7.694 -17.050 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -2.461 7.422 -18.372 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -5.420 6.869 -18.251 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -4.485 7.575 -19.555 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -5.239 4.958 -19.593 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -3.742 5.491 -20.331 1.00 0.00 H new ATOM 1249 N VAL A 81 -2.957 5.402 -14.892 1.00 0.00 N ATOM 1250 CA VAL A 81 -3.512 5.208 -13.558 1.00 0.00 C ATOM 1251 C VAL A 81 -4.371 6.396 -13.141 1.00 0.00 C ATOM 1252 O VAL A 81 -4.153 7.531 -13.565 1.00 0.00 O ATOM 1253 CB VAL A 81 -2.400 5.001 -12.512 1.00 0.00 C ATOM 1254 CG1 VAL A 81 -1.656 3.700 -12.774 1.00 0.00 C ATOM 1255 CG2 VAL A 81 -1.441 6.182 -12.514 1.00 0.00 C ATOM 0 H VAL A 81 -1.948 5.547 -14.912 1.00 0.00 H new ATOM 0 HA VAL A 81 -4.132 4.313 -13.601 1.00 0.00 H new ATOM 0 HB VAL A 81 -2.860 4.937 -11.526 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -0.874 3.571 -12.025 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -2.354 2.864 -12.718 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -1.206 3.732 -13.766 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -0.662 6.019 -11.769 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -0.986 6.280 -13.500 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -1.987 7.094 -12.274 1.00 0.00 H new ATOM 1265 N PRO A 82 -5.373 6.131 -12.290 1.00 0.00 N ATOM 1266 CA PRO A 82 -6.286 7.166 -11.795 1.00 0.00 C ATOM 1267 C PRO A 82 -5.600 8.136 -10.840 1.00 0.00 C ATOM 1268 O PRO A 82 -6.224 9.069 -10.334 1.00 0.00 O ATOM 1269 CB PRO A 82 -7.366 6.367 -11.062 1.00 0.00 C ATOM 1270 CG PRO A 82 -6.692 5.100 -10.660 1.00 0.00 C ATOM 1271 CD PRO A 82 -5.693 4.801 -11.744 1.00 0.00 C ATOM 0 HA PRO A 82 -6.672 7.788 -12.602 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -7.739 6.910 -10.194 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -8.222 6.172 -11.708 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -6.199 5.210 -9.694 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -7.413 4.289 -10.559 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -4.807 4.305 -11.348 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -6.112 4.144 -12.506 1.00 0.00 H new ATOM 1279 N TRP A 83 -4.314 7.910 -10.598 1.00 0.00 N ATOM 1280 CA TRP A 83 -3.543 8.765 -9.702 1.00 0.00 C ATOM 1281 C TRP A 83 -2.322 9.338 -10.414 1.00 0.00 C ATOM 1282 O TRP A 83 -1.410 9.862 -9.775 1.00 0.00 O ATOM 1283 CB TRP A 83 -3.105 7.980 -8.465 1.00 0.00 C ATOM 1284 CG TRP A 83 -2.183 6.841 -8.779 1.00 0.00 C ATOM 1285 CD1 TRP A 83 -0.888 6.928 -9.204 1.00 0.00 C ATOM 1286 CD2 TRP A 83 -2.487 5.444 -8.695 1.00 0.00 C ATOM 1287 NE1 TRP A 83 -0.369 5.670 -9.390 1.00 0.00 N ATOM 1288 CE2 TRP A 83 -1.329 4.742 -9.083 1.00 0.00 C ATOM 1289 CE3 TRP A 83 -3.623 4.719 -8.328 1.00 0.00 C ATOM 1290 CZ2 TRP A 83 -1.278 3.351 -9.115 1.00 0.00 C ATOM 1291 CZ3 TRP A 83 -3.571 3.338 -8.360 1.00 0.00 C ATOM 1292 CH2 TRP A 83 -2.405 2.666 -8.751 1.00 0.00 C ATOM 0 H TRP A 83 -3.783 7.142 -11.009 1.00 0.00 H new ATOM 0 HA TRP A 83 -4.181 9.592 -9.391 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -2.609 8.658 -7.770 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -3.989 7.593 -7.957 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -0.351 7.850 -9.369 1.00 0.00 H new ATOM 0 HE1 TRP A 83 0.578 5.461 -9.706 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -4.526 5.228 -8.025 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -0.381 2.831 -9.416 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -4.444 2.767 -8.079 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -2.396 1.586 -8.765 1.00 0.00 H new ATOM 1303 N GLU A 84 -2.312 9.234 -11.739 1.00 0.00 N ATOM 1304 CA GLU A 84 -1.201 9.742 -12.536 1.00 0.00 C ATOM 1305 C GLU A 84 -1.263 11.263 -12.649 1.00 0.00 C ATOM 1306 O GLU A 84 -1.137 11.822 -13.738 1.00 0.00 O ATOM 1307 CB GLU A 84 -1.217 9.116 -13.932 1.00 0.00 C ATOM 1308 CG GLU A 84 0.168 8.896 -14.516 1.00 0.00 C ATOM 1309 CD GLU A 84 0.824 10.188 -14.963 1.00 0.00 C ATOM 1310 OE1 GLU A 84 0.385 10.754 -15.986 1.00 0.00 O ATOM 1311 OE2 GLU A 84 1.777 10.633 -14.289 1.00 0.00 O ATOM 0 H GLU A 84 -3.060 8.803 -12.283 1.00 0.00 H new ATOM 0 HA GLU A 84 -0.273 9.469 -12.034 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -1.739 8.160 -13.886 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -1.787 9.759 -14.603 1.00 0.00 H new ATOM 0 HG2 GLU A 84 0.799 8.411 -13.772 1.00 0.00 H new ATOM 0 HG3 GLU A 84 0.097 8.216 -15.365 1.00 0.00 H new ATOM 1318 N LYS A 85 -1.460 11.927 -11.515 1.00 0.00 N ATOM 1319 CA LYS A 85 -1.539 13.382 -11.483 1.00 0.00 C ATOM 1320 C LYS A 85 -0.611 13.955 -10.417 1.00 0.00 C ATOM 1321 O LYS A 85 -0.422 13.355 -9.358 1.00 0.00 O ATOM 1322 CB LYS A 85 -2.978 13.830 -11.216 1.00 0.00 C ATOM 1323 CG LYS A 85 -3.997 13.180 -12.135 1.00 0.00 C ATOM 1324 CD LYS A 85 -4.167 13.966 -13.424 1.00 0.00 C ATOM 1325 CE LYS A 85 -3.196 13.495 -14.496 1.00 0.00 C ATOM 1326 NZ LYS A 85 -3.622 13.923 -15.857 1.00 0.00 N ATOM 0 H LYS A 85 -1.568 11.479 -10.605 1.00 0.00 H new ATOM 0 HA LYS A 85 -1.222 13.759 -12.455 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -3.235 13.601 -10.182 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -3.039 14.913 -11.327 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -3.682 12.163 -12.367 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -4.956 13.108 -11.623 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -5.190 13.858 -13.785 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -4.008 15.027 -13.228 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -2.202 13.891 -14.285 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -3.119 12.408 -14.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -2.934 13.583 -16.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -4.559 13.525 -16.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -3.670 14.961 -15.895 1.00 0.00 H new ATOM 1340 N ASP A 86 -0.035 15.117 -10.702 1.00 0.00 N ATOM 1341 CA ASP A 86 0.871 15.772 -9.765 1.00 0.00 C ATOM 1342 C ASP A 86 0.145 16.147 -8.478 1.00 0.00 C ATOM 1343 O ASP A 86 0.609 15.840 -7.380 1.00 0.00 O ATOM 1344 CB ASP A 86 1.483 17.021 -10.403 1.00 0.00 C ATOM 1345 CG ASP A 86 0.467 18.130 -10.594 1.00 0.00 C ATOM 1346 OD1 ASP A 86 -0.649 17.835 -11.071 1.00 0.00 O ATOM 1347 OD2 ASP A 86 0.788 19.292 -10.268 1.00 0.00 O ATOM 0 H ASP A 86 -0.179 15.625 -11.574 1.00 0.00 H new ATOM 0 HA ASP A 86 1.668 15.071 -9.519 1.00 0.00 H new ATOM 0 HB2 ASP A 86 2.298 17.383 -9.777 1.00 0.00 H new ATOM 0 HB3 ASP A 86 1.915 16.758 -11.368 1.00 0.00 H new ATOM 1352 N GLU A 87 -0.997 16.813 -8.621 1.00 0.00 N ATOM 1353 CA GLU A 87 -1.786 17.231 -7.468 1.00 0.00 C ATOM 1354 C GLU A 87 -1.730 16.183 -6.361 1.00 0.00 C ATOM 1355 O GLU A 87 -1.564 16.512 -5.187 1.00 0.00 O ATOM 1356 CB GLU A 87 -3.239 17.478 -7.879 1.00 0.00 C ATOM 1357 CG GLU A 87 -3.916 16.259 -8.484 1.00 0.00 C ATOM 1358 CD GLU A 87 -5.042 16.626 -9.431 1.00 0.00 C ATOM 1359 OE1 GLU A 87 -5.649 17.701 -9.243 1.00 0.00 O ATOM 1360 OE2 GLU A 87 -5.314 15.839 -10.361 1.00 0.00 O ATOM 0 H GLU A 87 -1.396 17.074 -9.523 1.00 0.00 H new ATOM 0 HA GLU A 87 -1.361 18.159 -7.087 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -3.805 17.801 -7.005 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -3.270 18.295 -8.599 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -3.175 15.665 -9.019 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -4.309 15.632 -7.684 1.00 0.00 H new ATOM 1367 N TYR A 88 -1.872 14.919 -6.744 1.00 0.00 N ATOM 1368 CA TYR A 88 -1.841 13.821 -5.785 1.00 0.00 C ATOM 1369 C TYR A 88 -0.540 13.832 -4.987 1.00 0.00 C ATOM 1370 O TYR A 88 -0.544 13.650 -3.768 1.00 0.00 O ATOM 1371 CB TYR A 88 -1.998 12.481 -6.506 1.00 0.00 C ATOM 1372 CG TYR A 88 -3.404 12.219 -6.995 1.00 0.00 C ATOM 1373 CD1 TYR A 88 -4.478 12.210 -6.113 1.00 0.00 C ATOM 1374 CD2 TYR A 88 -3.660 11.978 -8.340 1.00 0.00 C ATOM 1375 CE1 TYR A 88 -5.764 11.970 -6.556 1.00 0.00 C ATOM 1376 CE2 TYR A 88 -4.943 11.739 -8.791 1.00 0.00 C ATOM 1377 CZ TYR A 88 -5.992 11.735 -7.896 1.00 0.00 C ATOM 1378 OH TYR A 88 -7.271 11.496 -8.341 1.00 0.00 O ATOM 0 H TYR A 88 -2.010 14.629 -7.712 1.00 0.00 H new ATOM 0 HA TYR A 88 -2.673 13.953 -5.093 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -1.315 12.453 -7.355 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -1.701 11.678 -5.832 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -4.304 12.394 -5.063 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -2.841 11.978 -9.044 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -6.587 11.966 -5.857 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -5.124 11.556 -9.840 1.00 0.00 H new ATOM 0 HH TYR A 88 -7.258 11.351 -9.310 1.00 0.00 H new ATOM 1388 N LEU A 89 0.571 14.047 -5.682 1.00 0.00 N ATOM 1389 CA LEU A 89 1.880 14.084 -5.039 1.00 0.00 C ATOM 1390 C LEU A 89 1.793 14.734 -3.662 1.00 0.00 C ATOM 1391 O LEU A 89 2.519 14.361 -2.740 1.00 0.00 O ATOM 1392 CB LEU A 89 2.878 14.845 -5.913 1.00 0.00 C ATOM 1393 CG LEU A 89 3.276 14.167 -7.225 1.00 0.00 C ATOM 1394 CD1 LEU A 89 3.919 15.169 -8.170 1.00 0.00 C ATOM 1395 CD2 LEU A 89 4.218 13.002 -6.958 1.00 0.00 C ATOM 0 H LEU A 89 0.592 14.198 -6.690 1.00 0.00 H new ATOM 0 HA LEU A 89 2.225 13.058 -4.914 1.00 0.00 H new ATOM 0 HB2 LEU A 89 2.455 15.822 -6.146 1.00 0.00 H new ATOM 0 HB3 LEU A 89 3.782 15.020 -5.329 1.00 0.00 H new ATOM 0 HG LEU A 89 2.375 13.779 -7.699 1.00 0.00 H new ATOM 0 HD11 LEU A 89 4.195 14.668 -9.098 1.00 0.00 H new ATOM 0 HD12 LEU A 89 3.212 15.970 -8.387 1.00 0.00 H new ATOM 0 HD13 LEU A 89 4.811 15.588 -7.704 1.00 0.00 H new ATOM 0 HD21 LEU A 89 4.491 12.531 -7.902 1.00 0.00 H new ATOM 0 HD22 LEU A 89 5.117 13.367 -6.461 1.00 0.00 H new ATOM 0 HD23 LEU A 89 3.722 12.272 -6.319 1.00 0.00 H new ATOM 1407 N LYS A 90 0.899 15.707 -3.528 1.00 0.00 N ATOM 1408 CA LYS A 90 0.713 16.408 -2.263 1.00 0.00 C ATOM 1409 C LYS A 90 0.086 15.489 -1.219 1.00 0.00 C ATOM 1410 O LYS A 90 -0.808 14.695 -1.513 1.00 0.00 O ATOM 1411 CB LYS A 90 -0.167 17.643 -2.465 1.00 0.00 C ATOM 1412 CG LYS A 90 0.572 18.824 -3.071 1.00 0.00 C ATOM 1413 CD LYS A 90 0.561 18.770 -4.589 1.00 0.00 C ATOM 1414 CE LYS A 90 1.766 19.485 -5.181 1.00 0.00 C ATOM 1415 NZ LYS A 90 1.608 20.965 -5.140 1.00 0.00 N ATOM 0 H LYS A 90 0.291 16.029 -4.281 1.00 0.00 H new ATOM 0 HA LYS A 90 1.693 16.723 -1.903 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -1.005 17.380 -3.110 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -0.586 17.942 -1.504 1.00 0.00 H new ATOM 0 HG2 LYS A 90 0.111 19.753 -2.736 1.00 0.00 H new ATOM 0 HG3 LYS A 90 1.602 18.832 -2.714 1.00 0.00 H new ATOM 0 HD2 LYS A 90 0.556 17.731 -4.917 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -0.355 19.227 -4.964 1.00 0.00 H new ATOM 0 HE2 LYS A 90 2.663 19.200 -4.632 1.00 0.00 H new ATOM 0 HE3 LYS A 90 1.908 19.163 -6.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 2.450 21.416 -5.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 0.766 21.239 -5.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 1.498 21.275 -4.153 1.00 0.00 H new ATOM 1429 N PRO A 91 0.562 15.599 0.030 1.00 0.00 N ATOM 1430 CA PRO A 91 0.061 14.787 1.142 1.00 0.00 C ATOM 1431 C PRO A 91 -1.359 15.170 1.546 1.00 0.00 C ATOM 1432 O PRO A 91 -1.582 16.220 2.149 1.00 0.00 O ATOM 1433 CB PRO A 91 1.041 15.096 2.277 1.00 0.00 C ATOM 1434 CG PRO A 91 1.582 16.446 1.953 1.00 0.00 C ATOM 1435 CD PRO A 91 1.627 16.524 0.452 1.00 0.00 C ATOM 0 HA PRO A 91 0.007 13.730 0.882 1.00 0.00 H new ATOM 0 HB2 PRO A 91 0.540 15.092 3.245 1.00 0.00 H new ATOM 0 HB3 PRO A 91 1.836 14.352 2.327 1.00 0.00 H new ATOM 0 HG2 PRO A 91 0.947 17.230 2.366 1.00 0.00 H new ATOM 0 HG3 PRO A 91 2.575 16.582 2.381 1.00 0.00 H new ATOM 0 HD2 PRO A 91 1.443 17.538 0.097 1.00 0.00 H new ATOM 0 HD3 PRO A 91 2.599 16.222 0.063 1.00 0.00 H new ATOM 1443 N VAL A 92 -2.317 14.312 1.209 1.00 0.00 N ATOM 1444 CA VAL A 92 -3.716 14.560 1.538 1.00 0.00 C ATOM 1445 C VAL A 92 -3.889 14.838 3.027 1.00 0.00 C ATOM 1446 O VAL A 92 -4.702 15.674 3.423 1.00 0.00 O ATOM 1447 CB VAL A 92 -4.606 13.367 1.141 1.00 0.00 C ATOM 1448 CG1 VAL A 92 -6.056 13.637 1.511 1.00 0.00 C ATOM 1449 CG2 VAL A 92 -4.471 13.074 -0.345 1.00 0.00 C ATOM 0 H VAL A 92 -2.150 13.439 0.708 1.00 0.00 H new ATOM 0 HA VAL A 92 -4.025 15.438 0.970 1.00 0.00 H new ATOM 0 HB VAL A 92 -4.274 12.488 1.693 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -6.670 12.784 1.223 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -6.134 13.794 2.587 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -6.405 14.528 0.989 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -5.106 12.228 -0.608 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -4.776 13.950 -0.918 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -3.433 12.834 -0.576 1.00 0.00 H new ATOM 1459 N LEU A 93 -3.120 14.131 3.848 1.00 0.00 N ATOM 1460 CA LEU A 93 -3.188 14.301 5.295 1.00 0.00 C ATOM 1461 C LEU A 93 -1.939 15.001 5.821 1.00 0.00 C ATOM 1462 O LEU A 93 -1.078 15.416 5.046 1.00 0.00 O ATOM 1463 CB LEU A 93 -3.353 12.943 5.981 1.00 0.00 C ATOM 1464 CG LEU A 93 -4.155 11.895 5.210 1.00 0.00 C ATOM 1465 CD1 LEU A 93 -3.234 11.041 4.352 1.00 0.00 C ATOM 1466 CD2 LEU A 93 -4.954 11.024 6.168 1.00 0.00 C ATOM 0 H LEU A 93 -2.443 13.435 3.536 1.00 0.00 H new ATOM 0 HA LEU A 93 -4.053 14.924 5.522 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -2.362 12.537 6.182 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -3.834 13.102 6.946 1.00 0.00 H new ATOM 0 HG LEU A 93 -4.853 12.412 4.552 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -3.823 10.301 3.811 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -2.707 11.676 3.640 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -2.510 10.533 4.989 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -5.519 10.284 5.602 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -4.274 10.516 6.852 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -5.643 11.647 6.738 1.00 0.00 H new ATOM 1478 N GLU A 94 -1.847 15.125 7.141 1.00 0.00 N ATOM 1479 CA GLU A 94 -0.702 15.773 7.769 1.00 0.00 C ATOM 1480 C GLU A 94 0.240 14.740 8.381 1.00 0.00 C ATOM 1481 O GLU A 94 -0.199 13.798 9.040 1.00 0.00 O ATOM 1482 CB GLU A 94 -1.170 16.754 8.846 1.00 0.00 C ATOM 1483 CG GLU A 94 -0.142 17.820 9.187 1.00 0.00 C ATOM 1484 CD GLU A 94 -0.461 18.545 10.480 1.00 0.00 C ATOM 1485 OE1 GLU A 94 -1.613 19.002 10.635 1.00 0.00 O ATOM 1486 OE2 GLU A 94 0.441 18.657 11.336 1.00 0.00 O ATOM 0 H GLU A 94 -2.551 14.785 7.796 1.00 0.00 H new ATOM 0 HA GLU A 94 -0.160 16.322 6.999 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -2.086 17.239 8.510 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -1.417 16.197 9.750 1.00 0.00 H new ATOM 0 HG2 GLU A 94 0.842 17.358 9.267 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -0.090 18.543 8.373 1.00 0.00 H new ATOM 1493 N ASP A 95 1.536 14.925 8.157 1.00 0.00 N ATOM 1494 CA ASP A 95 2.541 14.010 8.686 1.00 0.00 C ATOM 1495 C ASP A 95 2.150 12.560 8.420 1.00 0.00 C ATOM 1496 O ASP A 95 2.105 11.740 9.338 1.00 0.00 O ATOM 1497 CB ASP A 95 2.726 14.234 10.188 1.00 0.00 C ATOM 1498 CG ASP A 95 4.118 13.866 10.661 1.00 0.00 C ATOM 1499 OD1 ASP A 95 4.807 13.108 9.946 1.00 0.00 O ATOM 1500 OD2 ASP A 95 4.520 14.335 11.747 1.00 0.00 O ATOM 0 H ASP A 95 1.916 15.700 7.613 1.00 0.00 H new ATOM 0 HA ASP A 95 3.484 14.212 8.178 1.00 0.00 H new ATOM 0 HB2 ASP A 95 2.530 15.280 10.423 1.00 0.00 H new ATOM 0 HB3 ASP A 95 1.992 13.642 10.734 1.00 0.00 H new ATOM 1505 N ASP A 96 1.866 12.250 7.160 1.00 0.00 N ATOM 1506 CA ASP A 96 1.478 10.899 6.773 1.00 0.00 C ATOM 1507 C ASP A 96 2.666 9.945 6.863 1.00 0.00 C ATOM 1508 O ASP A 96 3.705 10.170 6.241 1.00 0.00 O ATOM 1509 CB ASP A 96 0.912 10.895 5.352 1.00 0.00 C ATOM 1510 CG ASP A 96 0.125 9.636 5.046 1.00 0.00 C ATOM 1511 OD1 ASP A 96 0.459 8.574 5.613 1.00 0.00 O ATOM 1512 OD2 ASP A 96 -0.826 9.712 4.241 1.00 0.00 O ATOM 0 H ASP A 96 1.897 12.917 6.389 1.00 0.00 H new ATOM 0 HA ASP A 96 0.707 10.557 7.464 1.00 0.00 H new ATOM 0 HB2 ASP A 96 0.268 11.764 5.218 1.00 0.00 H new ATOM 0 HB3 ASP A 96 1.730 10.991 4.638 1.00 0.00 H new ATOM 1517 N LEU A 97 2.506 8.881 7.642 1.00 0.00 N ATOM 1518 CA LEU A 97 3.565 7.894 7.815 1.00 0.00 C ATOM 1519 C LEU A 97 3.759 7.074 6.543 1.00 0.00 C ATOM 1520 O LEU A 97 4.886 6.763 6.157 1.00 0.00 O ATOM 1521 CB LEU A 97 3.240 6.967 8.988 1.00 0.00 C ATOM 1522 CG LEU A 97 3.091 7.639 10.353 1.00 0.00 C ATOM 1523 CD1 LEU A 97 2.419 6.699 11.341 1.00 0.00 C ATOM 1524 CD2 LEU A 97 4.448 8.086 10.878 1.00 0.00 C ATOM 0 H LEU A 97 1.653 8.680 8.164 1.00 0.00 H new ATOM 0 HA LEU A 97 4.492 8.427 8.027 1.00 0.00 H new ATOM 0 HB2 LEU A 97 2.313 6.439 8.762 1.00 0.00 H new ATOM 0 HB3 LEU A 97 4.026 6.215 9.059 1.00 0.00 H new ATOM 0 HG LEU A 97 2.460 8.520 10.236 1.00 0.00 H new ATOM 0 HD11 LEU A 97 2.322 7.195 12.307 1.00 0.00 H new ATOM 0 HD12 LEU A 97 1.430 6.428 10.971 1.00 0.00 H new ATOM 0 HD13 LEU A 97 3.023 5.799 11.455 1.00 0.00 H new ATOM 0 HD21 LEU A 97 4.323 8.562 11.850 1.00 0.00 H new ATOM 0 HD22 LEU A 97 5.102 7.220 10.979 1.00 0.00 H new ATOM 0 HD23 LEU A 97 4.892 8.796 10.181 1.00 0.00 H new ATOM 1536 N LEU A 98 2.652 6.729 5.894 1.00 0.00 N ATOM 1537 CA LEU A 98 2.699 5.947 4.664 1.00 0.00 C ATOM 1538 C LEU A 98 3.556 6.641 3.610 1.00 0.00 C ATOM 1539 O LEU A 98 4.224 5.987 2.808 1.00 0.00 O ATOM 1540 CB LEU A 98 1.286 5.725 4.123 1.00 0.00 C ATOM 1541 CG LEU A 98 0.300 5.049 5.077 1.00 0.00 C ATOM 1542 CD1 LEU A 98 -1.125 5.202 4.569 1.00 0.00 C ATOM 1543 CD2 LEU A 98 0.651 3.579 5.252 1.00 0.00 C ATOM 0 H LEU A 98 1.711 6.979 6.199 1.00 0.00 H new ATOM 0 HA LEU A 98 3.149 4.981 4.894 1.00 0.00 H new ATOM 0 HB2 LEU A 98 0.874 6.691 3.832 1.00 0.00 H new ATOM 0 HB3 LEU A 98 1.356 5.122 3.218 1.00 0.00 H new ATOM 0 HG LEU A 98 0.371 5.537 6.049 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -1.812 4.715 5.261 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -1.374 6.261 4.496 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -1.212 4.740 3.585 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -0.061 3.114 5.934 1.00 0.00 H new ATOM 0 HD22 LEU A 98 0.609 3.077 4.285 1.00 0.00 H new ATOM 0 HD23 LEU A 98 1.657 3.491 5.662 1.00 0.00 H new ATOM 1555 N LEU A 99 3.535 7.969 3.619 1.00 0.00 N ATOM 1556 CA LEU A 99 4.312 8.753 2.665 1.00 0.00 C ATOM 1557 C LEU A 99 5.795 8.726 3.018 1.00 0.00 C ATOM 1558 O LEU A 99 6.647 8.556 2.147 1.00 0.00 O ATOM 1559 CB LEU A 99 3.810 10.198 2.634 1.00 0.00 C ATOM 1560 CG LEU A 99 2.650 10.485 1.680 1.00 0.00 C ATOM 1561 CD1 LEU A 99 1.478 9.562 1.971 1.00 0.00 C ATOM 1562 CD2 LEU A 99 2.222 11.942 1.784 1.00 0.00 C ATOM 0 H LEU A 99 2.989 8.526 4.276 1.00 0.00 H new ATOM 0 HA LEU A 99 4.184 8.309 1.678 1.00 0.00 H new ATOM 0 HB2 LEU A 99 3.503 10.476 3.642 1.00 0.00 H new ATOM 0 HB3 LEU A 99 4.644 10.846 2.365 1.00 0.00 H new ATOM 0 HG LEU A 99 2.989 10.298 0.661 1.00 0.00 H new ATOM 0 HD11 LEU A 99 0.662 9.781 1.282 1.00 0.00 H new ATOM 0 HD12 LEU A 99 1.791 8.526 1.845 1.00 0.00 H new ATOM 0 HD13 LEU A 99 1.139 9.716 2.995 1.00 0.00 H new ATOM 0 HD21 LEU A 99 1.396 12.128 1.098 1.00 0.00 H new ATOM 0 HD22 LEU A 99 1.902 12.155 2.804 1.00 0.00 H new ATOM 0 HD23 LEU A 99 3.061 12.587 1.524 1.00 0.00 H new ATOM 1574 N GLN A 100 6.096 8.892 4.302 1.00 0.00 N ATOM 1575 CA GLN A 100 7.477 8.885 4.770 1.00 0.00 C ATOM 1576 C GLN A 100 7.976 7.458 4.971 1.00 0.00 C ATOM 1577 O GLN A 100 9.018 7.235 5.587 1.00 0.00 O ATOM 1578 CB GLN A 100 7.598 9.669 6.078 1.00 0.00 C ATOM 1579 CG GLN A 100 7.181 8.874 7.305 1.00 0.00 C ATOM 1580 CD GLN A 100 6.848 9.761 8.489 1.00 0.00 C ATOM 1581 OE1 GLN A 100 5.756 10.323 8.570 1.00 0.00 O ATOM 1582 NE2 GLN A 100 7.790 9.890 9.416 1.00 0.00 N ATOM 0 H GLN A 100 5.402 9.033 5.036 1.00 0.00 H new ATOM 0 HA GLN A 100 8.095 9.363 4.010 1.00 0.00 H new ATOM 0 HB2 GLN A 100 8.630 9.997 6.201 1.00 0.00 H new ATOM 0 HB3 GLN A 100 6.984 10.567 6.012 1.00 0.00 H new ATOM 0 HG2 GLN A 100 6.313 8.262 7.059 1.00 0.00 H new ATOM 0 HG3 GLN A 100 7.985 8.192 7.582 1.00 0.00 H new ATOM 0 HE21 GLN A 100 8.681 9.406 9.308 1.00 0.00 H new ATOM 0 HE22 GLN A 100 7.622 10.473 10.236 1.00 0.00 H new ATOM 1591 N PHE A 101 7.225 6.495 4.447 1.00 0.00 N ATOM 1592 CA PHE A 101 7.590 5.088 4.570 1.00 0.00 C ATOM 1593 C PHE A 101 8.643 4.707 3.534 1.00 0.00 C ATOM 1594 O PHE A 101 8.572 5.125 2.378 1.00 0.00 O ATOM 1595 CB PHE A 101 6.354 4.202 4.407 1.00 0.00 C ATOM 1596 CG PHE A 101 6.680 2.769 4.097 1.00 0.00 C ATOM 1597 CD1 PHE A 101 6.842 2.350 2.786 1.00 0.00 C ATOM 1598 CD2 PHE A 101 6.826 1.841 5.116 1.00 0.00 C ATOM 1599 CE1 PHE A 101 7.142 1.031 2.498 1.00 0.00 C ATOM 1600 CE2 PHE A 101 7.125 0.522 4.834 1.00 0.00 C ATOM 1601 CZ PHE A 101 7.285 0.117 3.523 1.00 0.00 C ATOM 0 H PHE A 101 6.360 6.663 3.933 1.00 0.00 H new ATOM 0 HA PHE A 101 8.010 4.933 5.564 1.00 0.00 H new ATOM 0 HB2 PHE A 101 5.765 4.242 5.323 1.00 0.00 H new ATOM 0 HB3 PHE A 101 5.731 4.605 3.609 1.00 0.00 H new ATOM 0 HD1 PHE A 101 6.733 3.061 1.981 1.00 0.00 H new ATOM 0 HD2 PHE A 101 6.705 2.153 6.143 1.00 0.00 H new ATOM 0 HE1 PHE A 101 7.264 0.716 1.472 1.00 0.00 H new ATOM 0 HE2 PHE A 101 7.234 -0.192 5.637 1.00 0.00 H new ATOM 0 HZ PHE A 101 7.522 -0.913 3.300 1.00 0.00 H new ATOM 1611 N ASP A 102 9.621 3.913 3.956 1.00 0.00 N ATOM 1612 CA ASP A 102 10.689 3.475 3.066 1.00 0.00 C ATOM 1613 C ASP A 102 10.152 2.524 2.000 1.00 0.00 C ATOM 1614 O ASP A 102 10.072 1.314 2.216 1.00 0.00 O ATOM 1615 CB ASP A 102 11.800 2.791 3.865 1.00 0.00 C ATOM 1616 CG ASP A 102 12.505 3.745 4.808 1.00 0.00 C ATOM 1617 OD1 ASP A 102 13.130 4.710 4.319 1.00 0.00 O ATOM 1618 OD2 ASP A 102 12.433 3.527 6.035 1.00 0.00 O ATOM 0 H ASP A 102 9.696 3.559 4.910 1.00 0.00 H new ATOM 0 HA ASP A 102 11.099 4.355 2.570 1.00 0.00 H new ATOM 0 HB2 ASP A 102 11.377 1.965 4.437 1.00 0.00 H new ATOM 0 HB3 ASP A 102 12.527 2.361 3.176 1.00 0.00 H new ATOM 1623 N VAL A 103 9.785 3.079 0.849 1.00 0.00 N ATOM 1624 CA VAL A 103 9.256 2.280 -0.250 1.00 0.00 C ATOM 1625 C VAL A 103 10.380 1.744 -1.130 1.00 0.00 C ATOM 1626 O VAL A 103 10.250 0.684 -1.741 1.00 0.00 O ATOM 1627 CB VAL A 103 8.283 3.098 -1.120 1.00 0.00 C ATOM 1628 CG1 VAL A 103 9.038 4.145 -1.925 1.00 0.00 C ATOM 1629 CG2 VAL A 103 7.488 2.180 -2.036 1.00 0.00 C ATOM 0 H VAL A 103 9.844 4.078 0.654 1.00 0.00 H new ATOM 0 HA VAL A 103 8.718 1.444 0.196 1.00 0.00 H new ATOM 0 HB VAL A 103 7.582 3.615 -0.464 1.00 0.00 H new ATOM 0 HG11 VAL A 103 8.334 4.713 -2.534 1.00 0.00 H new ATOM 0 HG12 VAL A 103 9.558 4.821 -1.246 1.00 0.00 H new ATOM 0 HG13 VAL A 103 9.763 3.653 -2.573 1.00 0.00 H new ATOM 0 HG21 VAL A 103 6.806 2.774 -2.644 1.00 0.00 H new ATOM 0 HG22 VAL A 103 8.171 1.634 -2.687 1.00 0.00 H new ATOM 0 HG23 VAL A 103 6.916 1.473 -1.435 1.00 0.00 H new ATOM 1639 N GLU A 104 11.482 2.485 -1.190 1.00 0.00 N ATOM 1640 CA GLU A 104 12.629 2.083 -1.996 1.00 0.00 C ATOM 1641 C GLU A 104 13.122 0.697 -1.589 1.00 0.00 C ATOM 1642 O GLU A 104 13.694 -0.032 -2.399 1.00 0.00 O ATOM 1643 CB GLU A 104 13.762 3.101 -1.854 1.00 0.00 C ATOM 1644 CG GLU A 104 13.387 4.498 -2.319 1.00 0.00 C ATOM 1645 CD GLU A 104 14.362 5.555 -1.838 1.00 0.00 C ATOM 1646 OE1 GLU A 104 15.551 5.480 -2.211 1.00 0.00 O ATOM 1647 OE2 GLU A 104 13.935 6.458 -1.088 1.00 0.00 O ATOM 0 H GLU A 104 11.605 3.366 -0.691 1.00 0.00 H new ATOM 0 HA GLU A 104 12.312 2.045 -3.038 1.00 0.00 H new ATOM 0 HB2 GLU A 104 14.070 3.145 -0.809 1.00 0.00 H new ATOM 0 HB3 GLU A 104 14.623 2.756 -2.426 1.00 0.00 H new ATOM 0 HG2 GLU A 104 13.346 4.515 -3.408 1.00 0.00 H new ATOM 0 HG3 GLU A 104 12.387 4.741 -1.959 1.00 0.00 H new ATOM 1654 N ASP A 105 12.895 0.342 -0.329 1.00 0.00 N ATOM 1655 CA ASP A 105 13.315 -0.956 0.187 1.00 0.00 C ATOM 1656 C ASP A 105 12.631 -2.089 -0.572 1.00 0.00 C ATOM 1657 O ASP A 105 13.134 -3.213 -0.617 1.00 0.00 O ATOM 1658 CB ASP A 105 13.000 -1.061 1.680 1.00 0.00 C ATOM 1659 CG ASP A 105 14.027 -0.352 2.540 1.00 0.00 C ATOM 1660 OD1 ASP A 105 14.267 0.852 2.308 1.00 0.00 O ATOM 1661 OD2 ASP A 105 14.591 -1.000 3.446 1.00 0.00 O ATOM 0 H ASP A 105 12.423 0.935 0.354 1.00 0.00 H new ATOM 0 HA ASP A 105 14.392 -1.046 0.044 1.00 0.00 H new ATOM 0 HB2 ASP A 105 12.015 -0.636 1.871 1.00 0.00 H new ATOM 0 HB3 ASP A 105 12.955 -2.112 1.966 1.00 0.00 H new ATOM 1666 N LEU A 106 11.482 -1.787 -1.166 1.00 0.00 N ATOM 1667 CA LEU A 106 10.728 -2.781 -1.922 1.00 0.00 C ATOM 1668 C LEU A 106 11.194 -2.829 -3.373 1.00 0.00 C ATOM 1669 O LEU A 106 10.809 -3.721 -4.130 1.00 0.00 O ATOM 1670 CB LEU A 106 9.232 -2.466 -1.865 1.00 0.00 C ATOM 1671 CG LEU A 106 8.671 -2.120 -0.485 1.00 0.00 C ATOM 1672 CD1 LEU A 106 7.219 -1.680 -0.594 1.00 0.00 C ATOM 1673 CD2 LEU A 106 8.801 -3.307 0.457 1.00 0.00 C ATOM 0 H LEU A 106 11.052 -0.862 -1.139 1.00 0.00 H new ATOM 0 HA LEU A 106 10.905 -3.757 -1.470 1.00 0.00 H new ATOM 0 HB2 LEU A 106 9.031 -1.631 -2.537 1.00 0.00 H new ATOM 0 HB3 LEU A 106 8.685 -3.326 -2.252 1.00 0.00 H new ATOM 0 HG LEU A 106 9.250 -1.292 -0.076 1.00 0.00 H new ATOM 0 HD11 LEU A 106 6.837 -1.438 0.398 1.00 0.00 H new ATOM 0 HD12 LEU A 106 7.153 -0.800 -1.233 1.00 0.00 H new ATOM 0 HD13 LEU A 106 6.626 -2.487 -1.025 1.00 0.00 H new ATOM 0 HD21 LEU A 106 8.397 -3.042 1.434 1.00 0.00 H new ATOM 0 HD22 LEU A 106 8.247 -4.155 0.053 1.00 0.00 H new ATOM 0 HD23 LEU A 106 9.852 -3.576 0.560 1.00 0.00 H new