USER MOD reduce.3.24.130724 H: found=0, std=0, add=830, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 830 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 2 THR OG1 : rot -34:sc= 0.755 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.159 USER MOD Single : A 16 ASN : amide:sc= -4.91! C(o=-4.9!,f=-4.7!) USER MOD Single : A 18 GLN : amide:sc= -0.34 K(o=-0.34,f=-3!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -0.18 X(o=-0.18,f=0) USER MOD Single : A 29 LYS NZ :NH3+ -159:sc=-0.00793 (180deg=-0.207) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 40 GLN :FLIP amide:sc= -1.19 F(o=-2.4!,f=-1.2) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= 0.145 X(o=0.15,f=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 ASN :FLIP amide:sc= -0.0629! F(o=-0.71,f=-0.063!) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot -36:sc= -0.49! USER MOD Single : A 61 THR OG1 : rot -85:sc= 0.255 USER MOD Single : A 63 ASN :FLIP amide:sc= -5.17! C(o=-8.9!,f=-5.2!) USER MOD Single : A 65 ASN :FLIP amide:sc= -0.0182 F(o=-1.5,f=-0.018) USER MOD Single : A 66 HIS : no HD1:sc= -0.0242 X(o=-0.024,f=-0.36) USER MOD Single : B 1 ARG N :NH3+ -139:sc= 0.101 (180deg=-0.701) USER MOD Single : B 2 THR OG1 : rot 180:sc= 0 USER MOD Single : B 12 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : B 13 THR OG1 : rot -60:sc= -0.165 USER MOD Single : B 16 ASN : amide:sc= -4.85! C(o=-4.9!,f=-4.7!) USER MOD Single : B 18 GLN : amide:sc= -0.27 K(o=-0.27,f=-3!) USER MOD Single : B 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 26 GLN : amide:sc= -0.194 X(o=-0.19,f=0) USER MOD Single : B 29 LYS NZ :NH3+ -152:sc= -0.0145 (180deg=-0.204) USER MOD Single : B 32 SER OG : rot 180:sc= 0 USER MOD Single : B 40 GLN :FLIP amide:sc= -1.2 F(o=-2.3!,f=-1.2) USER MOD Single : B 45 THR OG1 : rot 180:sc= 0 USER MOD Single : B 48 GLN : amide:sc= 0.148 X(o=0.15,f=0) USER MOD Single : B 51 SER OG : rot 180:sc= 0 USER MOD Single : B 52 ASN :FLIP amide:sc=-0.00955 F(o=-0.68,f=-0.0096) USER MOD Single : B 53 TYR OH : rot 180:sc= 0 USER MOD Single : B 55 SER OG : rot 180:sc= 0 USER MOD Single : B 60 THR OG1 : rot -45:sc= -0.487! USER MOD Single : B 61 THR OG1 : rot -84:sc= 0.259 USER MOD Single : B 63 ASN :FLIP amide:sc= -5.29! C(o=-8.6!,f=-5.3!) USER MOD Single : B 65 ASN :FLIP amide:sc= -0.0233 F(o=-1.5,f=-0.023) USER MOD ----------------------------------------------------------------- ATOM 27 N THR A 2 -18.468 -8.072 -2.637 1.00 0.39 N ATOM 28 CA THR A 2 -17.250 -7.951 -3.489 1.00 0.36 C ATOM 29 C THR A 2 -16.508 -6.648 -3.197 1.00 0.36 C ATOM 30 O THR A 2 -16.731 -6.002 -2.193 1.00 0.41 O ATOM 31 CB THR A 2 -17.774 -7.954 -4.923 1.00 0.44 C ATOM 32 OG1 THR A 2 -18.985 -7.216 -4.988 1.00 0.54 O ATOM 33 CG2 THR A 2 -18.011 -9.390 -5.369 1.00 0.47 C ATOM 0 HA THR A 2 -16.542 -8.759 -3.303 1.00 0.36 H new ATOM 0 HB THR A 2 -17.042 -7.490 -5.584 1.00 0.44 H new ATOM 0 HG1 THR A 2 -19.488 -7.339 -4.156 1.00 0.54 H new ATOM 0 HG21 THR A 2 -18.385 -9.396 -6.393 1.00 0.47 H new ATOM 0 HG22 THR A 2 -17.074 -9.945 -5.322 1.00 0.47 H new ATOM 0 HG23 THR A 2 -18.744 -9.859 -4.712 1.00 0.47 H new ATOM 41 N CYS A 3 -15.631 -6.258 -4.080 1.00 0.35 N ATOM 42 CA CYS A 3 -14.875 -4.993 -3.881 1.00 0.38 C ATOM 43 C CYS A 3 -15.064 -4.105 -5.118 1.00 0.39 C ATOM 44 O CYS A 3 -15.566 -3.003 -5.035 1.00 0.43 O ATOM 45 CB CYS A 3 -13.411 -5.423 -3.714 1.00 0.39 C ATOM 46 SG CYS A 3 -12.936 -5.289 -1.968 1.00 0.46 S ATOM 0 H CYS A 3 -15.405 -6.765 -4.936 1.00 0.35 H new ATOM 0 HA CYS A 3 -15.210 -4.419 -3.017 1.00 0.38 H new ATOM 0 HB2 CYS A 3 -13.280 -6.448 -4.060 1.00 0.39 H new ATOM 0 HB3 CYS A 3 -12.764 -4.795 -4.327 1.00 0.39 H new ATOM 150 N PRO A 11 -10.459 -7.745 -8.174 1.00 0.36 N ATOM 151 CA PRO A 11 -11.189 -8.635 -7.238 1.00 0.39 C ATOM 152 C PRO A 11 -12.686 -8.619 -7.571 1.00 0.40 C ATOM 153 O PRO A 11 -13.171 -7.737 -8.250 1.00 0.43 O ATOM 154 CB PRO A 11 -10.923 -8.021 -5.865 1.00 0.36 C ATOM 155 CG PRO A 11 -10.630 -6.586 -6.146 1.00 0.32 C ATOM 156 CD PRO A 11 -9.948 -6.551 -7.490 1.00 0.31 C ATOM 0 HA PRO A 11 -10.870 -9.676 -7.290 1.00 0.39 H new ATOM 0 HB2 PRO A 11 -11.787 -8.128 -5.209 1.00 0.36 H new ATOM 0 HB3 PRO A 11 -10.083 -8.508 -5.369 1.00 0.36 H new ATOM 0 HG2 PRO A 11 -11.547 -5.997 -6.159 1.00 0.32 H new ATOM 0 HG3 PRO A 11 -9.989 -6.161 -5.373 1.00 0.32 H new ATOM 0 HD2 PRO A 11 -10.191 -5.641 -8.038 1.00 0.31 H new ATOM 0 HD3 PRO A 11 -8.863 -6.582 -7.389 1.00 0.31 H new ATOM 164 N GLN A 12 -13.417 -9.585 -7.093 1.00 0.42 N ATOM 165 CA GLN A 12 -14.874 -9.638 -7.361 1.00 0.46 C ATOM 166 C GLN A 12 -15.518 -10.467 -6.259 1.00 0.40 C ATOM 167 O GLN A 12 -16.516 -11.131 -6.455 1.00 0.47 O ATOM 168 CB GLN A 12 -15.020 -10.310 -8.732 1.00 0.59 C ATOM 169 CG GLN A 12 -14.540 -11.763 -8.662 1.00 0.60 C ATOM 170 CD GLN A 12 -14.952 -12.498 -9.941 1.00 0.70 C ATOM 171 OE1 GLN A 12 -14.978 -11.918 -11.009 1.00 0.89 O ATOM 172 NE2 GLN A 12 -15.279 -13.760 -9.876 1.00 0.75 N ATOM 0 H GLN A 12 -13.059 -10.349 -6.520 1.00 0.42 H new ATOM 0 HA GLN A 12 -15.354 -8.659 -7.372 1.00 0.46 H new ATOM 0 HB2 GLN A 12 -16.062 -10.278 -9.052 1.00 0.59 H new ATOM 0 HB3 GLN A 12 -14.441 -9.763 -9.477 1.00 0.59 H new ATOM 0 HG2 GLN A 12 -13.457 -11.794 -8.545 1.00 0.60 H new ATOM 0 HG3 GLN A 12 -14.970 -12.258 -7.791 1.00 0.60 H new ATOM 0 HE21 GLN A 12 -15.257 -14.247 -8.980 1.00 0.75 H new ATOM 0 HE22 GLN A 12 -15.556 -14.259 -10.721 1.00 0.75 H new ATOM 181 N THR A 13 -14.921 -10.443 -5.097 1.00 0.32 N ATOM 182 CA THR A 13 -15.451 -11.224 -3.956 1.00 0.27 C ATOM 183 C THR A 13 -15.193 -10.475 -2.661 1.00 0.21 C ATOM 184 O THR A 13 -14.564 -9.436 -2.643 1.00 0.23 O ATOM 185 CB THR A 13 -14.596 -12.469 -3.922 1.00 0.30 C ATOM 186 OG1 THR A 13 -14.276 -12.871 -5.246 1.00 0.34 O ATOM 187 CG2 THR A 13 -15.338 -13.599 -3.201 1.00 0.38 C ATOM 0 H THR A 13 -14.078 -9.906 -4.894 1.00 0.32 H new ATOM 0 HA THR A 13 -16.519 -11.416 -4.059 1.00 0.27 H new ATOM 0 HB THR A 13 -13.675 -12.250 -3.382 1.00 0.30 H new ATOM 0 HG1 THR A 13 -13.720 -13.678 -5.218 1.00 0.34 H new ATOM 0 HG21 THR A 13 -14.712 -14.491 -3.183 1.00 0.38 H new ATOM 0 HG22 THR A 13 -15.563 -13.293 -2.180 1.00 0.38 H new ATOM 0 HG23 THR A 13 -16.267 -13.818 -3.727 1.00 0.38 H new ATOM 195 N CYS A 14 -15.623 -11.033 -1.574 1.00 0.22 N ATOM 196 CA CYS A 14 -15.360 -10.413 -0.256 1.00 0.20 C ATOM 197 C CYS A 14 -16.267 -11.048 0.799 1.00 0.17 C ATOM 198 O CYS A 14 -17.090 -10.379 1.392 1.00 0.22 O ATOM 199 CB CYS A 14 -15.673 -8.921 -0.407 1.00 0.19 C ATOM 200 SG CYS A 14 -14.147 -7.961 -0.224 1.00 0.29 S ATOM 0 H CYS A 14 -16.153 -11.904 -1.542 1.00 0.22 H new ATOM 0 HA CYS A 14 -14.328 -10.561 0.061 1.00 0.20 H new ATOM 0 HB2 CYS A 14 -16.121 -8.729 -1.382 1.00 0.19 H new ATOM 0 HB3 CYS A 14 -16.401 -8.614 0.344 1.00 0.19 H new ATOM 205 N PRO A 15 -16.091 -12.329 0.997 1.00 0.19 N ATOM 206 CA PRO A 15 -16.913 -13.062 1.991 1.00 0.23 C ATOM 207 C PRO A 15 -16.484 -12.711 3.422 1.00 0.21 C ATOM 208 O PRO A 15 -16.287 -13.576 4.252 1.00 0.31 O ATOM 209 CB PRO A 15 -16.629 -14.531 1.672 1.00 0.38 C ATOM 210 CG PRO A 15 -15.289 -14.536 1.009 1.00 0.41 C ATOM 211 CD PRO A 15 -15.123 -13.202 0.324 1.00 0.29 C ATOM 0 HA PRO A 15 -17.973 -12.815 1.935 1.00 0.23 H new ATOM 0 HB2 PRO A 15 -16.622 -15.137 2.578 1.00 0.38 H new ATOM 0 HB3 PRO A 15 -17.394 -14.947 1.017 1.00 0.38 H new ATOM 0 HG2 PRO A 15 -14.498 -14.693 1.742 1.00 0.41 H new ATOM 0 HG3 PRO A 15 -15.220 -15.350 0.287 1.00 0.41 H new ATOM 0 HD2 PRO A 15 -14.106 -12.824 0.429 1.00 0.29 H new ATOM 0 HD3 PRO A 15 -15.328 -13.275 -0.744 1.00 0.29 H new ATOM 219 N ASN A 16 -16.350 -11.444 3.719 1.00 0.26 N ATOM 220 CA ASN A 16 -15.949 -11.030 5.092 1.00 0.33 C ATOM 221 C ASN A 16 -17.003 -10.085 5.676 1.00 0.39 C ATOM 222 O ASN A 16 -16.986 -9.763 6.847 1.00 0.52 O ATOM 223 CB ASN A 16 -14.625 -10.288 4.909 1.00 0.32 C ATOM 224 CG ASN A 16 -13.581 -11.231 4.306 1.00 0.34 C ATOM 225 OD1 ASN A 16 -13.357 -11.224 3.112 1.00 0.45 O ATOM 226 ND2 ASN A 16 -12.924 -12.044 5.087 1.00 0.35 N ATOM 0 H ASN A 16 -16.502 -10.677 3.065 1.00 0.26 H new ATOM 0 HA ASN A 16 -15.855 -11.878 5.771 1.00 0.33 H new ATOM 0 HB2 ASN A 16 -14.768 -9.425 4.258 1.00 0.32 H new ATOM 0 HB3 ASN A 16 -14.274 -9.909 5.869 1.00 0.32 H new ATOM 0 HD21 ASN A 16 -12.223 -12.673 4.695 1.00 0.35 H new ATOM 0 HD22 ASN A 16 -13.111 -12.051 6.090 1.00 0.35 H new ATOM 233 N GLY A 17 -17.913 -9.632 4.858 1.00 0.37 N ATOM 234 CA GLY A 17 -18.965 -8.701 5.350 1.00 0.45 C ATOM 235 C GLY A 17 -18.534 -7.256 5.076 1.00 0.57 C ATOM 236 O GLY A 17 -19.165 -6.540 4.324 1.00 0.67 O ATOM 0 H GLY A 17 -17.973 -9.868 3.867 1.00 0.37 H new ATOM 0 HA2 GLY A 17 -19.912 -8.910 4.853 1.00 0.45 H new ATOM 0 HA3 GLY A 17 -19.126 -8.848 6.418 1.00 0.45 H new ATOM 240 N GLN A 18 -17.463 -6.821 5.685 1.00 0.60 N ATOM 241 CA GLN A 18 -16.985 -5.421 5.470 1.00 0.75 C ATOM 242 C GLN A 18 -16.593 -5.198 4.007 1.00 0.68 C ATOM 243 O GLN A 18 -16.525 -4.079 3.540 1.00 0.76 O ATOM 244 CB GLN A 18 -15.759 -5.286 6.366 1.00 0.92 C ATOM 245 CG GLN A 18 -16.161 -5.532 7.820 1.00 1.11 C ATOM 246 CD GLN A 18 -15.379 -4.582 8.728 1.00 1.28 C ATOM 247 OE1 GLN A 18 -14.529 -3.847 8.266 1.00 1.45 O ATOM 248 NE2 GLN A 18 -15.629 -4.565 10.007 1.00 1.30 N ATOM 0 H GLN A 18 -16.895 -7.376 6.325 1.00 0.60 H new ATOM 0 HA GLN A 18 -17.757 -4.688 5.704 1.00 0.75 H new ATOM 0 HB2 GLN A 18 -14.994 -6.001 6.063 1.00 0.92 H new ATOM 0 HB3 GLN A 18 -15.326 -4.291 6.261 1.00 0.92 H new ATOM 0 HG2 GLN A 18 -17.232 -5.374 7.945 1.00 1.11 H new ATOM 0 HG3 GLN A 18 -15.958 -6.567 8.096 1.00 1.11 H new ATOM 0 HE21 GLN A 18 -16.342 -5.182 10.395 1.00 1.30 H new ATOM 0 HE22 GLN A 18 -15.111 -3.935 10.620 1.00 1.30 H new ATOM 257 N ASP A 19 -16.324 -6.256 3.293 1.00 0.71 N ATOM 258 CA ASP A 19 -15.927 -6.129 1.858 1.00 0.67 C ATOM 259 C ASP A 19 -14.630 -5.318 1.710 1.00 0.56 C ATOM 260 O ASP A 19 -14.521 -4.458 0.859 1.00 0.52 O ATOM 261 CB ASP A 19 -17.095 -5.409 1.174 1.00 0.81 C ATOM 262 CG ASP A 19 -18.291 -6.357 1.064 1.00 0.84 C ATOM 263 OD1 ASP A 19 -18.311 -7.343 1.781 1.00 0.88 O ATOM 264 OD2 ASP A 19 -19.167 -6.081 0.260 1.00 0.93 O ATOM 0 H ASP A 19 -16.362 -7.213 3.644 1.00 0.71 H new ATOM 0 HA ASP A 19 -15.731 -7.104 1.412 1.00 0.67 H new ATOM 0 HB2 ASP A 19 -17.372 -4.522 1.744 1.00 0.81 H new ATOM 0 HB3 ASP A 19 -16.795 -5.069 0.183 1.00 0.81 H new ATOM 269 N ILE A 20 -13.639 -5.594 2.520 1.00 0.55 N ATOM 270 CA ILE A 20 -12.351 -4.841 2.411 1.00 0.47 C ATOM 271 C ILE A 20 -11.293 -5.706 1.709 1.00 0.39 C ATOM 272 O ILE A 20 -11.083 -6.849 2.061 1.00 0.43 O ATOM 273 CB ILE A 20 -11.940 -4.553 3.857 1.00 0.54 C ATOM 274 CG1 ILE A 20 -13.040 -3.745 4.544 1.00 0.61 C ATOM 275 CG2 ILE A 20 -10.637 -3.751 3.875 1.00 0.58 C ATOM 276 CD1 ILE A 20 -13.242 -2.423 3.803 1.00 0.75 C ATOM 0 H ILE A 20 -13.665 -6.306 3.250 1.00 0.55 H new ATOM 0 HA ILE A 20 -12.451 -3.926 1.827 1.00 0.47 H new ATOM 0 HB ILE A 20 -11.791 -5.496 4.384 1.00 0.54 H new ATOM 0 HG12 ILE A 20 -13.970 -4.313 4.555 1.00 0.61 H new ATOM 0 HG13 ILE A 20 -12.771 -3.554 5.583 1.00 0.61 H new ATOM 0 HG21 ILE A 20 -10.349 -3.548 4.906 1.00 0.58 H new ATOM 0 HG22 ILE A 20 -9.850 -4.324 3.384 1.00 0.58 H new ATOM 0 HG23 ILE A 20 -10.783 -2.808 3.347 1.00 0.58 H new ATOM 0 HD11 ILE A 20 -14.027 -1.847 4.294 1.00 0.75 H new ATOM 0 HD12 ILE A 20 -12.313 -1.854 3.815 1.00 0.75 H new ATOM 0 HD13 ILE A 20 -13.531 -2.625 2.771 1.00 0.75 H new ATOM 288 N CYS A 21 -10.626 -5.171 0.718 1.00 0.32 N ATOM 289 CA CYS A 21 -9.587 -5.970 -0.001 1.00 0.29 C ATOM 290 C CYS A 21 -8.205 -5.326 0.173 1.00 0.32 C ATOM 291 O CYS A 21 -8.083 -4.122 0.290 1.00 0.39 O ATOM 292 CB CYS A 21 -10.013 -5.936 -1.473 1.00 0.37 C ATOM 293 SG CYS A 21 -11.603 -6.784 -1.675 1.00 0.43 S ATOM 0 H CYS A 21 -10.755 -4.219 0.376 1.00 0.32 H new ATOM 0 HA CYS A 21 -9.512 -6.988 0.381 1.00 0.29 H new ATOM 0 HB2 CYS A 21 -10.096 -4.904 -1.813 1.00 0.37 H new ATOM 0 HB3 CYS A 21 -9.254 -6.415 -2.091 1.00 0.37 H new ATOM 298 N PHE A 22 -7.162 -6.115 0.178 1.00 0.31 N ATOM 299 CA PHE A 22 -5.802 -5.553 0.327 1.00 0.36 C ATOM 300 C PHE A 22 -4.757 -6.546 -0.184 1.00 0.35 C ATOM 301 O PHE A 22 -5.072 -7.648 -0.590 1.00 0.44 O ATOM 302 CB PHE A 22 -5.615 -5.295 1.829 1.00 0.40 C ATOM 303 CG PHE A 22 -5.187 -6.569 2.530 1.00 0.33 C ATOM 304 CD1 PHE A 22 -6.084 -7.633 2.673 1.00 0.30 C ATOM 305 CD2 PHE A 22 -3.883 -6.680 3.029 1.00 0.41 C ATOM 306 CE1 PHE A 22 -5.676 -8.809 3.317 1.00 0.31 C ATOM 307 CE2 PHE A 22 -3.475 -7.856 3.671 1.00 0.39 C ATOM 308 CZ PHE A 22 -4.371 -8.921 3.815 1.00 0.31 C ATOM 0 H PHE A 22 -7.202 -7.130 0.084 1.00 0.31 H new ATOM 0 HA PHE A 22 -5.680 -4.637 -0.251 1.00 0.36 H new ATOM 0 HB2 PHE A 22 -4.866 -4.518 1.981 1.00 0.40 H new ATOM 0 HB3 PHE A 22 -6.546 -4.929 2.261 1.00 0.40 H new ATOM 0 HD1 PHE A 22 -7.089 -7.548 2.288 1.00 0.30 H new ATOM 0 HD2 PHE A 22 -3.191 -5.858 2.919 1.00 0.41 H new ATOM 0 HE1 PHE A 22 -6.368 -9.630 3.430 1.00 0.31 H new ATOM 0 HE2 PHE A 22 -2.469 -7.941 4.055 1.00 0.39 H new ATOM 0 HZ PHE A 22 -4.057 -9.828 4.309 1.00 0.31 H new ATOM 318 N LEU A 23 -3.512 -6.165 -0.146 1.00 0.29 N ATOM 319 CA LEU A 23 -2.440 -7.089 -0.609 1.00 0.30 C ATOM 320 C LEU A 23 -1.512 -7.429 0.557 1.00 0.26 C ATOM 321 O LEU A 23 -1.327 -6.640 1.462 1.00 0.29 O ATOM 322 CB LEU A 23 -1.671 -6.329 -1.686 1.00 0.31 C ATOM 323 CG LEU A 23 -0.727 -7.301 -2.388 1.00 0.36 C ATOM 324 CD1 LEU A 23 -0.524 -6.860 -3.837 1.00 0.45 C ATOM 325 CD2 LEU A 23 0.620 -7.317 -1.660 1.00 0.43 C ATOM 0 H LEU A 23 -3.190 -5.255 0.185 1.00 0.29 H new ATOM 0 HA LEU A 23 -2.848 -8.024 -0.993 1.00 0.30 H new ATOM 0 HB2 LEU A 23 -2.362 -5.888 -2.404 1.00 0.31 H new ATOM 0 HB3 LEU A 23 -1.107 -5.509 -1.241 1.00 0.31 H new ATOM 0 HG LEU A 23 -1.158 -8.302 -2.374 1.00 0.36 H new ATOM 0 HD11 LEU A 23 0.150 -7.555 -4.338 1.00 0.45 H new ATOM 0 HD12 LEU A 23 -1.484 -6.851 -4.353 1.00 0.45 H new ATOM 0 HD13 LEU A 23 -0.093 -5.859 -3.856 1.00 0.45 H new ATOM 0 HD21 LEU A 23 1.296 -8.011 -2.160 1.00 0.43 H new ATOM 0 HD22 LEU A 23 1.052 -6.317 -1.673 1.00 0.43 H new ATOM 0 HD23 LEU A 23 0.472 -7.635 -0.628 1.00 0.43 H new ATOM 337 N LYS A 24 -0.926 -8.595 0.554 1.00 0.27 N ATOM 338 CA LYS A 24 -0.020 -8.951 1.678 1.00 0.30 C ATOM 339 C LYS A 24 1.356 -9.380 1.169 1.00 0.31 C ATOM 340 O LYS A 24 1.492 -10.350 0.451 1.00 0.33 O ATOM 341 CB LYS A 24 -0.693 -10.113 2.400 1.00 0.34 C ATOM 342 CG LYS A 24 0.074 -10.399 3.691 1.00 0.35 C ATOM 343 CD LYS A 24 -0.180 -11.838 4.132 1.00 0.36 C ATOM 344 CE LYS A 24 -0.094 -11.923 5.657 1.00 0.41 C ATOM 345 NZ LYS A 24 1.175 -12.655 5.929 1.00 0.35 N ATOM 0 H LYS A 24 -1.034 -9.307 -0.168 1.00 0.27 H new ATOM 0 HA LYS A 24 0.140 -8.095 2.334 1.00 0.30 H new ATOM 0 HB2 LYS A 24 -1.731 -9.868 2.624 1.00 0.34 H new ATOM 0 HB3 LYS A 24 -0.704 -10.998 1.763 1.00 0.34 H new ATOM 0 HG2 LYS A 24 1.141 -10.239 3.535 1.00 0.35 H new ATOM 0 HG3 LYS A 24 -0.240 -9.708 4.473 1.00 0.35 H new ATOM 0 HD2 LYS A 24 -1.163 -12.166 3.793 1.00 0.36 H new ATOM 0 HD3 LYS A 24 0.553 -12.504 3.677 1.00 0.36 H new ATOM 0 HE2 LYS A 24 -0.082 -10.931 6.108 1.00 0.41 H new ATOM 0 HE3 LYS A 24 -0.952 -12.452 6.072 1.00 0.41 H new ATOM 0 HZ1 LYS A 24 1.306 -12.754 6.956 1.00 0.35 H new ATOM 0 HZ2 LYS A 24 1.132 -13.598 5.493 1.00 0.35 H new ATOM 0 HZ3 LYS A 24 1.975 -12.125 5.528 1.00 0.35 H new ATOM 359 N ALA A 25 2.379 -8.682 1.571 1.00 0.33 N ATOM 360 CA ALA A 25 3.756 -9.057 1.150 1.00 0.37 C ATOM 361 C ALA A 25 4.580 -9.360 2.401 1.00 0.36 C ATOM 362 O ALA A 25 4.692 -8.541 3.291 1.00 0.44 O ATOM 363 CB ALA A 25 4.313 -7.834 0.425 1.00 0.44 C ATOM 0 H ALA A 25 2.320 -7.863 2.176 1.00 0.33 H new ATOM 0 HA ALA A 25 3.778 -9.936 0.506 1.00 0.37 H new ATOM 0 HB1 ALA A 25 5.328 -8.042 0.087 1.00 0.44 H new ATOM 0 HB2 ALA A 25 3.684 -7.603 -0.435 1.00 0.44 H new ATOM 0 HB3 ALA A 25 4.325 -6.982 1.105 1.00 0.44 H new ATOM 369 N GLN A 26 5.142 -10.530 2.489 1.00 0.34 N ATOM 370 CA GLN A 26 5.939 -10.878 3.697 1.00 0.36 C ATOM 371 C GLN A 26 7.259 -11.538 3.291 1.00 0.41 C ATOM 372 O GLN A 26 7.528 -11.742 2.124 1.00 0.42 O ATOM 373 CB GLN A 26 5.055 -11.852 4.478 1.00 0.39 C ATOM 374 CG GLN A 26 4.834 -13.123 3.651 1.00 0.35 C ATOM 375 CD GLN A 26 3.798 -14.009 4.343 1.00 0.33 C ATOM 376 OE1 GLN A 26 2.913 -14.542 3.703 1.00 0.35 O ATOM 377 NE2 GLN A 26 3.869 -14.191 5.632 1.00 0.42 N ATOM 0 H GLN A 26 5.085 -11.260 1.779 1.00 0.34 H new ATOM 0 HA GLN A 26 6.202 -10.003 4.291 1.00 0.36 H new ATOM 0 HB2 GLN A 26 5.525 -12.102 5.429 1.00 0.39 H new ATOM 0 HB3 GLN A 26 4.097 -11.385 4.708 1.00 0.39 H new ATOM 0 HG2 GLN A 26 4.494 -12.863 2.649 1.00 0.35 H new ATOM 0 HG3 GLN A 26 5.773 -13.664 3.538 1.00 0.35 H new ATOM 0 HE21 GLN A 26 4.611 -13.744 6.170 1.00 0.42 H new ATOM 0 HE22 GLN A 26 3.182 -14.780 6.102 1.00 0.42 H new ATOM 386 N CYS A 27 8.085 -11.864 4.246 1.00 0.52 N ATOM 387 CA CYS A 27 9.393 -12.505 3.923 1.00 0.59 C ATOM 388 C CYS A 27 9.272 -14.024 3.975 1.00 0.68 C ATOM 389 O CYS A 27 8.563 -14.572 4.796 1.00 0.95 O ATOM 390 CB CYS A 27 10.350 -12.031 5.007 1.00 0.81 C ATOM 391 SG CYS A 27 12.027 -12.514 4.546 1.00 0.87 S ATOM 0 H CYS A 27 7.911 -11.714 5.240 1.00 0.52 H new ATOM 0 HA CYS A 27 9.733 -12.240 2.922 1.00 0.59 H new ATOM 0 HB2 CYS A 27 10.286 -10.949 5.121 1.00 0.81 H new ATOM 0 HB3 CYS A 27 10.081 -12.470 5.968 1.00 0.81 H new ATOM 396 N ASP A 28 9.967 -14.716 3.118 1.00 0.53 N ATOM 397 CA ASP A 28 9.888 -16.199 3.147 1.00 0.73 C ATOM 398 C ASP A 28 11.288 -16.806 3.270 1.00 0.68 C ATOM 399 O ASP A 28 12.035 -16.879 2.314 1.00 0.81 O ATOM 400 CB ASP A 28 9.239 -16.600 1.823 1.00 0.79 C ATOM 401 CG ASP A 28 8.794 -18.061 1.906 1.00 1.14 C ATOM 402 OD1 ASP A 28 8.969 -18.653 2.959 1.00 1.36 O ATOM 403 OD2 ASP A 28 8.288 -18.563 0.917 1.00 1.28 O ATOM 0 H ASP A 28 10.581 -14.322 2.405 1.00 0.53 H new ATOM 0 HA ASP A 28 9.313 -16.559 4.000 1.00 0.73 H new ATOM 0 HB2 ASP A 28 8.384 -15.958 1.614 1.00 0.79 H new ATOM 0 HB3 ASP A 28 9.945 -16.468 1.003 1.00 0.79 H new ATOM 408 N LYS A 29 11.638 -17.250 4.446 1.00 0.51 N ATOM 409 CA LYS A 29 12.980 -17.869 4.654 1.00 0.44 C ATOM 410 C LYS A 29 14.101 -16.909 4.249 1.00 0.33 C ATOM 411 O LYS A 29 14.613 -16.968 3.149 1.00 0.36 O ATOM 412 CB LYS A 29 12.991 -19.101 3.752 1.00 0.49 C ATOM 413 CG LYS A 29 13.441 -20.319 4.559 1.00 0.58 C ATOM 414 CD LYS A 29 12.655 -21.549 4.105 1.00 0.65 C ATOM 415 CE LYS A 29 13.347 -22.814 4.619 1.00 0.72 C ATOM 416 NZ LYS A 29 14.461 -23.061 3.662 1.00 0.92 N ATOM 0 H LYS A 29 11.049 -17.211 5.278 1.00 0.51 H new ATOM 0 HA LYS A 29 13.148 -18.117 5.702 1.00 0.44 H new ATOM 0 HB2 LYS A 29 11.997 -19.272 3.339 1.00 0.49 H new ATOM 0 HB3 LYS A 29 13.663 -18.942 2.909 1.00 0.49 H new ATOM 0 HG2 LYS A 29 14.509 -20.486 4.421 1.00 0.58 H new ATOM 0 HG3 LYS A 29 13.280 -20.144 5.623 1.00 0.58 H new ATOM 0 HD2 LYS A 29 11.634 -21.501 4.483 1.00 0.65 H new ATOM 0 HD3 LYS A 29 12.592 -21.572 3.017 1.00 0.65 H new ATOM 0 HE2 LYS A 29 13.722 -22.674 5.633 1.00 0.72 H new ATOM 0 HE3 LYS A 29 12.657 -23.657 4.647 1.00 0.72 H new ATOM 0 HZ1 LYS A 29 14.752 -24.058 3.717 1.00 0.92 H new ATOM 0 HZ2 LYS A 29 14.142 -22.846 2.696 1.00 0.92 H new ATOM 0 HZ3 LYS A 29 15.268 -22.451 3.904 1.00 0.92 H new ATOM 430 N PHE A 30 14.497 -16.035 5.131 1.00 0.31 N ATOM 431 CA PHE A 30 15.597 -15.089 4.788 1.00 0.33 C ATOM 432 C PHE A 30 15.218 -14.264 3.556 1.00 0.38 C ATOM 433 O PHE A 30 15.415 -14.684 2.440 1.00 0.50 O ATOM 434 CB PHE A 30 16.807 -15.973 4.473 1.00 0.34 C ATOM 435 CG PHE A 30 16.875 -17.131 5.441 1.00 0.44 C ATOM 436 CD1 PHE A 30 17.435 -16.952 6.711 1.00 0.55 C ATOM 437 CD2 PHE A 30 16.385 -18.386 5.062 1.00 0.59 C ATOM 438 CE1 PHE A 30 17.503 -18.029 7.603 1.00 0.69 C ATOM 439 CE2 PHE A 30 16.455 -19.463 5.953 1.00 0.76 C ATOM 440 CZ PHE A 30 17.014 -19.284 7.223 1.00 0.77 C ATOM 0 H PHE A 30 14.110 -15.934 6.069 1.00 0.31 H new ATOM 0 HA PHE A 30 15.800 -14.390 5.599 1.00 0.33 H new ATOM 0 HB2 PHE A 30 16.737 -16.347 3.452 1.00 0.34 H new ATOM 0 HB3 PHE A 30 17.722 -15.384 4.534 1.00 0.34 H new ATOM 0 HD1 PHE A 30 17.814 -15.984 7.003 1.00 0.55 H new ATOM 0 HD2 PHE A 30 15.953 -18.523 4.082 1.00 0.59 H new ATOM 0 HE1 PHE A 30 17.933 -17.891 8.584 1.00 0.69 H new ATOM 0 HE2 PHE A 30 16.078 -20.432 5.660 1.00 0.76 H new ATOM 0 HZ PHE A 30 17.068 -20.115 7.911 1.00 0.77 H new ATOM 450 N CYS A 31 14.663 -13.104 3.746 1.00 0.46 N ATOM 451 CA CYS A 31 14.267 -12.271 2.580 1.00 0.57 C ATOM 452 C CYS A 31 15.360 -12.306 1.503 1.00 0.74 C ATOM 453 O CYS A 31 16.525 -12.473 1.799 1.00 0.78 O ATOM 454 CB CYS A 31 14.131 -10.838 3.114 1.00 0.58 C ATOM 455 SG CYS A 31 13.051 -10.777 4.571 1.00 0.72 S ATOM 0 H CYS A 31 14.466 -12.695 4.659 1.00 0.46 H new ATOM 0 HA CYS A 31 13.342 -12.635 2.133 1.00 0.57 H new ATOM 0 HB2 CYS A 31 15.116 -10.449 3.372 1.00 0.58 H new ATOM 0 HB3 CYS A 31 13.728 -10.193 2.333 1.00 0.58 H new ATOM 460 N SER A 32 14.992 -12.125 0.261 1.00 0.91 N ATOM 461 CA SER A 32 16.004 -12.117 -0.845 1.00 1.09 C ATOM 462 C SER A 32 16.719 -13.467 -0.985 1.00 1.13 C ATOM 463 O SER A 32 17.869 -13.523 -1.375 1.00 1.31 O ATOM 464 CB SER A 32 17.008 -11.031 -0.458 1.00 1.21 C ATOM 465 OG SER A 32 16.311 -9.830 -0.154 1.00 1.26 O ATOM 0 H SER A 32 14.028 -11.981 -0.039 1.00 0.91 H new ATOM 0 HA SER A 32 15.526 -11.930 -1.806 1.00 1.09 H new ATOM 0 HB2 SER A 32 17.594 -11.352 0.403 1.00 1.21 H new ATOM 0 HB3 SER A 32 17.709 -10.861 -1.275 1.00 1.21 H new ATOM 0 HG SER A 32 16.953 -9.133 0.096 1.00 1.26 H new ATOM 471 N ILE A 33 16.061 -14.556 -0.700 1.00 0.98 N ATOM 472 CA ILE A 33 16.736 -15.880 -0.858 1.00 1.03 C ATOM 473 C ILE A 33 15.932 -16.750 -1.831 1.00 1.07 C ATOM 474 O ILE A 33 16.488 -17.443 -2.658 1.00 1.25 O ATOM 475 CB ILE A 33 16.779 -16.506 0.549 1.00 0.84 C ATOM 476 CG1 ILE A 33 18.128 -16.198 1.209 1.00 0.86 C ATOM 477 CG2 ILE A 33 16.612 -18.029 0.465 1.00 0.89 C ATOM 478 CD1 ILE A 33 18.148 -14.752 1.704 1.00 1.05 C ATOM 0 H ILE A 33 15.097 -14.590 -0.368 1.00 0.98 H new ATOM 0 HA ILE A 33 17.742 -15.787 -1.266 1.00 1.03 H new ATOM 0 HB ILE A 33 15.965 -16.084 1.138 1.00 0.84 H new ATOM 0 HG12 ILE A 33 18.299 -16.879 2.043 1.00 0.86 H new ATOM 0 HG13 ILE A 33 18.937 -16.358 0.496 1.00 0.86 H new ATOM 0 HG21 ILE A 33 16.645 -18.454 1.468 1.00 0.89 H new ATOM 0 HG22 ILE A 33 15.654 -18.265 0.002 1.00 0.89 H new ATOM 0 HG23 ILE A 33 17.418 -18.451 -0.135 1.00 0.89 H new ATOM 0 HD11 ILE A 33 19.110 -14.541 2.172 1.00 1.05 H new ATOM 0 HD12 ILE A 33 17.998 -14.077 0.861 1.00 1.05 H new ATOM 0 HD13 ILE A 33 17.350 -14.606 2.432 1.00 1.05 H new ATOM 490 N ARG A 34 14.632 -16.726 -1.732 1.00 0.95 N ATOM 491 CA ARG A 34 13.812 -17.551 -2.633 1.00 1.04 C ATOM 492 C ARG A 34 12.794 -16.692 -3.390 1.00 1.00 C ATOM 493 O ARG A 34 12.175 -17.139 -4.335 1.00 1.18 O ATOM 494 CB ARG A 34 13.115 -18.555 -1.717 1.00 0.98 C ATOM 495 CG ARG A 34 11.926 -17.888 -1.021 1.00 0.71 C ATOM 496 CD ARG A 34 11.397 -18.802 0.089 1.00 0.57 C ATOM 497 NE ARG A 34 11.508 -20.188 -0.449 1.00 0.78 N ATOM 498 CZ ARG A 34 10.433 -20.837 -0.800 1.00 0.89 C ATOM 499 NH1 ARG A 34 9.939 -20.686 -1.997 1.00 0.94 N ATOM 500 NH2 ARG A 34 9.851 -21.641 0.047 1.00 1.08 N ATOM 0 H ARG A 34 14.109 -16.165 -1.060 1.00 0.95 H new ATOM 0 HA ARG A 34 14.412 -18.045 -3.397 1.00 1.04 H new ATOM 0 HB2 ARG A 34 12.774 -19.413 -2.296 1.00 0.98 H new ATOM 0 HB3 ARG A 34 13.818 -18.931 -0.974 1.00 0.98 H new ATOM 0 HG2 ARG A 34 12.229 -16.929 -0.602 1.00 0.71 H new ATOM 0 HG3 ARG A 34 11.137 -17.684 -1.744 1.00 0.71 H new ATOM 0 HD2 ARG A 34 11.980 -18.688 1.003 1.00 0.57 H new ATOM 0 HD3 ARG A 34 10.364 -18.559 0.338 1.00 0.57 H new ATOM 0 HE ARG A 34 12.424 -20.628 -0.542 1.00 0.78 H new ATOM 0 HH11 ARG A 34 10.394 -20.059 -2.661 1.00 0.94 H new ATOM 0 HH12 ARG A 34 9.098 -21.195 -2.270 1.00 0.94 H new ATOM 0 HH21 ARG A 34 10.237 -21.762 0.983 1.00 1.08 H new ATOM 0 HH22 ARG A 34 9.010 -22.149 -0.227 1.00 1.08 H new ATOM 514 N GLY A 35 12.612 -15.465 -2.988 1.00 0.81 N ATOM 515 CA GLY A 35 11.633 -14.600 -3.701 1.00 0.79 C ATOM 516 C GLY A 35 10.486 -14.239 -2.758 1.00 0.60 C ATOM 517 O GLY A 35 9.840 -15.107 -2.205 1.00 0.53 O ATOM 0 H GLY A 35 13.095 -15.027 -2.203 1.00 0.81 H new ATOM 0 HA2 GLY A 35 12.124 -13.694 -4.056 1.00 0.79 H new ATOM 0 HA3 GLY A 35 11.246 -15.118 -4.579 1.00 0.79 H new ATOM 521 N PRO A 36 10.260 -12.963 -2.612 1.00 0.60 N ATOM 522 CA PRO A 36 9.169 -12.485 -1.731 1.00 0.48 C ATOM 523 C PRO A 36 7.814 -12.849 -2.341 1.00 0.42 C ATOM 524 O PRO A 36 7.700 -13.081 -3.528 1.00 0.46 O ATOM 525 CB PRO A 36 9.379 -10.973 -1.690 1.00 0.59 C ATOM 526 CG PRO A 36 10.121 -10.659 -2.949 1.00 0.71 C ATOM 527 CD PRO A 36 10.983 -11.856 -3.247 1.00 0.78 C ATOM 0 HA PRO A 36 9.181 -12.928 -0.735 1.00 0.48 H new ATOM 0 HB2 PRO A 36 8.428 -10.442 -1.648 1.00 0.59 H new ATOM 0 HB3 PRO A 36 9.949 -10.676 -0.810 1.00 0.59 H new ATOM 0 HG2 PRO A 36 9.429 -10.465 -3.769 1.00 0.71 H new ATOM 0 HG3 PRO A 36 10.730 -9.763 -2.827 1.00 0.71 H new ATOM 0 HD2 PRO A 36 11.096 -12.013 -4.320 1.00 0.78 H new ATOM 0 HD3 PRO A 36 11.985 -11.742 -2.834 1.00 0.78 H new ATOM 535 N VAL A 37 6.792 -12.922 -1.537 1.00 0.34 N ATOM 536 CA VAL A 37 5.457 -13.294 -2.066 1.00 0.33 C ATOM 537 C VAL A 37 4.462 -12.163 -1.863 1.00 0.34 C ATOM 538 O VAL A 37 4.702 -11.219 -1.138 1.00 0.34 O ATOM 539 CB VAL A 37 5.063 -14.523 -1.248 1.00 0.33 C ATOM 540 CG1 VAL A 37 4.544 -14.084 0.125 1.00 0.41 C ATOM 541 CG2 VAL A 37 3.972 -15.300 -1.987 1.00 0.44 C ATOM 0 H VAL A 37 6.826 -12.739 -0.534 1.00 0.34 H new ATOM 0 HA VAL A 37 5.470 -13.493 -3.138 1.00 0.33 H new ATOM 0 HB VAL A 37 5.935 -15.163 -1.114 1.00 0.33 H new ATOM 0 HG11 VAL A 37 4.264 -14.963 0.706 1.00 0.41 H new ATOM 0 HG12 VAL A 37 5.325 -13.535 0.651 1.00 0.41 H new ATOM 0 HG13 VAL A 37 3.673 -13.441 -0.004 1.00 0.41 H new ATOM 0 HG21 VAL A 37 3.691 -16.177 -1.403 1.00 0.44 H new ATOM 0 HG22 VAL A 37 3.100 -14.661 -2.125 1.00 0.44 H new ATOM 0 HG23 VAL A 37 4.347 -15.617 -2.960 1.00 0.44 H new ATOM 551 N ILE A 38 3.352 -12.254 -2.527 1.00 0.34 N ATOM 552 CA ILE A 38 2.326 -11.196 -2.423 1.00 0.34 C ATOM 553 C ILE A 38 0.938 -11.807 -2.653 1.00 0.27 C ATOM 554 O ILE A 38 0.662 -12.361 -3.699 1.00 0.34 O ATOM 555 CB ILE A 38 2.729 -10.228 -3.537 1.00 0.39 C ATOM 556 CG1 ILE A 38 3.545 -9.083 -2.932 1.00 0.36 C ATOM 557 CG2 ILE A 38 1.490 -9.655 -4.239 1.00 0.53 C ATOM 558 CD1 ILE A 38 4.970 -9.118 -3.488 1.00 0.38 C ATOM 0 H ILE A 38 3.110 -13.028 -3.146 1.00 0.34 H new ATOM 0 HA ILE A 38 2.272 -10.703 -1.452 1.00 0.34 H new ATOM 0 HB ILE A 38 3.323 -10.768 -4.274 1.00 0.39 H new ATOM 0 HG12 ILE A 38 3.077 -8.127 -3.165 1.00 0.36 H new ATOM 0 HG13 ILE A 38 3.565 -9.172 -1.846 1.00 0.36 H new ATOM 0 HG21 ILE A 38 1.803 -8.970 -5.027 1.00 0.53 H new ATOM 0 HG22 ILE A 38 0.910 -10.468 -4.675 1.00 0.53 H new ATOM 0 HG23 ILE A 38 0.876 -9.119 -3.515 1.00 0.53 H new ATOM 0 HD11 ILE A 38 5.549 -8.302 -3.056 1.00 0.38 H new ATOM 0 HD12 ILE A 38 5.437 -10.069 -3.233 1.00 0.38 H new ATOM 0 HD13 ILE A 38 4.940 -9.008 -4.572 1.00 0.38 H new ATOM 570 N GLU A 39 0.070 -11.720 -1.686 1.00 0.22 N ATOM 571 CA GLU A 39 -1.290 -12.307 -1.856 1.00 0.22 C ATOM 572 C GLU A 39 -2.365 -11.234 -1.697 1.00 0.22 C ATOM 573 O GLU A 39 -2.248 -10.335 -0.888 1.00 0.34 O ATOM 574 CB GLU A 39 -1.408 -13.348 -0.747 1.00 0.29 C ATOM 575 CG GLU A 39 -0.322 -14.407 -0.926 1.00 0.34 C ATOM 576 CD GLU A 39 -0.974 -15.760 -1.205 1.00 0.40 C ATOM 577 OE1 GLU A 39 -1.918 -16.095 -0.507 1.00 0.49 O ATOM 578 OE2 GLU A 39 -0.521 -16.439 -2.111 1.00 0.47 O ATOM 0 H GLU A 39 0.241 -11.269 -0.787 1.00 0.22 H new ATOM 0 HA GLU A 39 -1.427 -12.741 -2.846 1.00 0.22 H new ATOM 0 HB2 GLU A 39 -1.308 -12.870 0.227 1.00 0.29 H new ATOM 0 HB3 GLU A 39 -2.393 -13.814 -0.774 1.00 0.29 H new ATOM 0 HG2 GLU A 39 0.337 -14.132 -1.749 1.00 0.34 H new ATOM 0 HG3 GLU A 39 0.295 -14.466 -0.029 1.00 0.34 H new ATOM 585 N GLN A 40 -3.417 -11.333 -2.459 1.00 0.22 N ATOM 586 CA GLN A 40 -4.516 -10.335 -2.355 1.00 0.29 C ATOM 587 C GLN A 40 -5.818 -11.044 -1.978 1.00 0.35 C ATOM 588 O GLN A 40 -6.088 -12.139 -2.431 1.00 0.47 O ATOM 589 CB GLN A 40 -4.619 -9.716 -3.750 1.00 0.34 C ATOM 590 CG GLN A 40 -3.342 -8.929 -4.047 1.00 0.46 C ATOM 591 CD GLN A 40 -3.179 -8.759 -5.559 1.00 0.38 C ATOM 592 OE1 GLN A 40 -2.876 -7.586 -6.041 1.00 0.44 O flip ATOM 593 NE2 GLN A 40 -3.329 -9.704 -6.308 1.00 0.55 N flip ATOM 0 H GLN A 40 -3.563 -12.066 -3.153 1.00 0.22 H new ATOM 0 HA GLN A 40 -4.329 -9.579 -1.593 1.00 0.29 H new ATOM 0 HB2 GLN A 40 -4.761 -10.496 -4.497 1.00 0.34 H new ATOM 0 HB3 GLN A 40 -5.487 -9.059 -3.806 1.00 0.34 H new ATOM 0 HG2 GLN A 40 -3.385 -7.953 -3.564 1.00 0.46 H new ATOM 0 HG3 GLN A 40 -2.478 -9.451 -3.635 1.00 0.46 H new ATOM 0 HE21 GLN A 40 -3.566 -10.621 -5.930 1.00 0.55 H new ATOM 0 HE22 GLN A 40 -3.218 -9.580 -7.314 1.00 0.55 H new ATOM 602 N GLY A 41 -6.626 -10.438 -1.152 1.00 0.35 N ATOM 603 CA GLY A 41 -7.903 -11.099 -0.755 1.00 0.42 C ATOM 604 C GLY A 41 -8.779 -10.125 0.036 1.00 0.31 C ATOM 605 O GLY A 41 -8.518 -8.940 0.095 1.00 0.37 O ATOM 0 H GLY A 41 -6.460 -9.521 -0.737 1.00 0.35 H new ATOM 0 HA2 GLY A 41 -8.436 -11.440 -1.643 1.00 0.42 H new ATOM 0 HA3 GLY A 41 -7.692 -11.982 -0.152 1.00 0.42 H new ATOM 609 N CYS A 42 -9.824 -10.621 0.640 1.00 0.30 N ATOM 610 CA CYS A 42 -10.730 -9.734 1.424 1.00 0.29 C ATOM 611 C CYS A 42 -10.751 -10.163 2.893 1.00 0.34 C ATOM 612 O CYS A 42 -11.011 -11.306 3.212 1.00 0.57 O ATOM 613 CB CYS A 42 -12.105 -9.938 0.787 1.00 0.40 C ATOM 614 SG CYS A 42 -13.269 -8.713 1.432 1.00 0.44 S ATOM 0 H CYS A 42 -10.090 -11.606 0.624 1.00 0.30 H new ATOM 0 HA CYS A 42 -10.414 -8.691 1.406 1.00 0.29 H new ATOM 0 HB2 CYS A 42 -12.031 -9.847 -0.297 1.00 0.40 H new ATOM 0 HB3 CYS A 42 -12.468 -10.944 0.998 1.00 0.40 H new ATOM 619 N VAL A 43 -10.476 -9.255 3.791 1.00 0.31 N ATOM 620 CA VAL A 43 -10.475 -9.615 5.238 1.00 0.44 C ATOM 621 C VAL A 43 -11.098 -8.492 6.072 1.00 0.41 C ATOM 622 O VAL A 43 -11.431 -7.439 5.565 1.00 0.62 O ATOM 623 CB VAL A 43 -8.999 -9.794 5.593 1.00 0.60 C ATOM 624 CG1 VAL A 43 -8.876 -10.316 7.027 1.00 0.77 C ATOM 625 CG2 VAL A 43 -8.368 -10.800 4.626 1.00 0.68 C ATOM 0 H VAL A 43 -10.252 -8.281 3.585 1.00 0.31 H new ATOM 0 HA VAL A 43 -11.059 -10.513 5.441 1.00 0.44 H new ATOM 0 HB VAL A 43 -8.484 -8.836 5.514 1.00 0.60 H new ATOM 0 HG11 VAL A 43 -7.823 -10.443 7.279 1.00 0.77 H new ATOM 0 HG12 VAL A 43 -9.330 -9.602 7.714 1.00 0.77 H new ATOM 0 HG13 VAL A 43 -9.387 -11.275 7.110 1.00 0.77 H new ATOM 0 HG21 VAL A 43 -7.315 -10.932 4.874 1.00 0.68 H new ATOM 0 HG22 VAL A 43 -8.883 -11.757 4.709 1.00 0.68 H new ATOM 0 HG23 VAL A 43 -8.456 -10.428 3.605 1.00 0.68 H new ATOM 635 N ALA A 44 -11.256 -8.709 7.350 1.00 0.54 N ATOM 636 CA ALA A 44 -11.855 -7.654 8.216 1.00 0.65 C ATOM 637 C ALA A 44 -11.159 -6.319 7.966 1.00 0.45 C ATOM 638 O ALA A 44 -11.583 -5.528 7.148 1.00 0.61 O ATOM 639 CB ALA A 44 -11.604 -8.124 9.648 1.00 0.83 C ATOM 0 H ALA A 44 -10.996 -9.570 7.831 1.00 0.54 H new ATOM 0 HA ALA A 44 -12.917 -7.508 8.016 1.00 0.65 H new ATOM 0 HB1 ALA A 44 -12.018 -7.397 10.347 1.00 0.83 H new ATOM 0 HB2 ALA A 44 -12.084 -9.090 9.803 1.00 0.83 H new ATOM 0 HB3 ALA A 44 -10.531 -8.220 9.817 1.00 0.83 H new ATOM 645 N THR A 45 -10.088 -6.064 8.663 1.00 0.27 N ATOM 646 CA THR A 45 -9.363 -4.782 8.457 1.00 0.26 C ATOM 647 C THR A 45 -7.853 -5.036 8.407 1.00 0.23 C ATOM 648 O THR A 45 -7.346 -5.950 9.028 1.00 0.27 O ATOM 649 CB THR A 45 -9.733 -3.912 9.662 1.00 0.39 C ATOM 650 OG1 THR A 45 -9.327 -2.573 9.416 1.00 0.67 O ATOM 651 CG2 THR A 45 -9.029 -4.434 10.914 1.00 0.59 C ATOM 0 H THR A 45 -9.685 -6.686 9.364 1.00 0.27 H new ATOM 0 HA THR A 45 -9.633 -4.298 7.518 1.00 0.26 H new ATOM 0 HB THR A 45 -10.812 -3.948 9.816 1.00 0.39 H new ATOM 0 HG1 THR A 45 -9.564 -2.013 10.185 1.00 0.67 H new ATOM 0 HG21 THR A 45 -9.296 -3.811 11.768 1.00 0.59 H new ATOM 0 HG22 THR A 45 -9.338 -5.462 11.104 1.00 0.59 H new ATOM 0 HG23 THR A 45 -7.950 -4.402 10.765 1.00 0.59 H new ATOM 659 N CYS A 46 -7.134 -4.235 7.671 1.00 0.23 N ATOM 660 CA CYS A 46 -5.658 -4.427 7.580 1.00 0.22 C ATOM 661 C CYS A 46 -5.001 -3.967 8.883 1.00 0.21 C ATOM 662 O CYS A 46 -5.390 -2.965 9.449 1.00 0.25 O ATOM 663 CB CYS A 46 -5.221 -3.543 6.407 1.00 0.26 C ATOM 664 SG CYS A 46 -3.493 -3.883 5.991 1.00 0.31 S ATOM 0 H CYS A 46 -7.504 -3.455 7.128 1.00 0.23 H new ATOM 0 HA CYS A 46 -5.373 -5.468 7.428 1.00 0.22 H new ATOM 0 HB2 CYS A 46 -5.856 -3.731 5.542 1.00 0.26 H new ATOM 0 HB3 CYS A 46 -5.341 -2.492 6.668 1.00 0.26 H new ATOM 669 N PRO A 47 -4.027 -4.718 9.323 1.00 0.22 N ATOM 670 CA PRO A 47 -3.320 -4.375 10.577 1.00 0.26 C ATOM 671 C PRO A 47 -2.456 -3.130 10.364 1.00 0.22 C ATOM 672 O PRO A 47 -2.290 -2.663 9.254 1.00 0.24 O ATOM 673 CB PRO A 47 -2.475 -5.612 10.868 1.00 0.32 C ATOM 674 CG PRO A 47 -2.283 -6.268 9.539 1.00 0.34 C ATOM 675 CD PRO A 47 -3.489 -5.932 8.699 1.00 0.25 C ATOM 0 HA PRO A 47 -3.987 -4.137 11.406 1.00 0.26 H new ATOM 0 HB2 PRO A 47 -1.519 -5.341 11.317 1.00 0.32 H new ATOM 0 HB3 PRO A 47 -2.978 -6.278 11.568 1.00 0.32 H new ATOM 0 HG2 PRO A 47 -1.370 -5.911 9.062 1.00 0.34 H new ATOM 0 HG3 PRO A 47 -2.182 -7.347 9.653 1.00 0.34 H new ATOM 0 HD2 PRO A 47 -3.215 -5.758 7.658 1.00 0.25 H new ATOM 0 HD3 PRO A 47 -4.219 -6.742 8.706 1.00 0.25 H new ATOM 683 N GLN A 48 -1.924 -2.574 11.413 1.00 0.20 N ATOM 684 CA GLN A 48 -1.097 -1.352 11.282 1.00 0.22 C ATOM 685 C GLN A 48 0.212 -1.624 10.532 1.00 0.22 C ATOM 686 O GLN A 48 1.285 -1.284 10.988 1.00 0.34 O ATOM 687 CB GLN A 48 -0.825 -0.921 12.716 1.00 0.27 C ATOM 688 CG GLN A 48 -0.199 -2.085 13.480 1.00 0.34 C ATOM 689 CD GLN A 48 0.846 -1.541 14.453 1.00 0.47 C ATOM 690 OE1 GLN A 48 0.617 -1.495 15.645 1.00 0.57 O ATOM 691 NE2 GLN A 48 1.990 -1.120 13.989 1.00 0.61 N ATOM 0 H GLN A 48 -2.030 -2.921 12.366 1.00 0.20 H new ATOM 0 HA GLN A 48 -1.605 -0.582 10.702 1.00 0.22 H new ATOM 0 HB2 GLN A 48 -0.156 -0.060 12.729 1.00 0.27 H new ATOM 0 HB3 GLN A 48 -1.753 -0.611 13.197 1.00 0.27 H new ATOM 0 HG2 GLN A 48 -0.968 -2.635 14.023 1.00 0.34 H new ATOM 0 HG3 GLN A 48 0.263 -2.786 12.785 1.00 0.34 H new ATOM 0 HE21 GLN A 48 2.180 -1.160 12.988 1.00 0.61 H new ATOM 0 HE22 GLN A 48 2.695 -0.751 14.628 1.00 0.61 H new ATOM 700 N PHE A 49 0.110 -2.203 9.374 1.00 0.19 N ATOM 701 CA PHE A 49 1.313 -2.498 8.531 1.00 0.22 C ATOM 702 C PHE A 49 2.559 -2.817 9.367 1.00 0.27 C ATOM 703 O PHE A 49 2.476 -3.177 10.525 1.00 0.38 O ATOM 704 CB PHE A 49 1.520 -1.229 7.705 1.00 0.23 C ATOM 705 CG PHE A 49 0.667 -1.326 6.466 1.00 0.20 C ATOM 706 CD1 PHE A 49 -0.722 -1.416 6.589 1.00 0.22 C ATOM 707 CD2 PHE A 49 1.260 -1.348 5.198 1.00 0.21 C ATOM 708 CE1 PHE A 49 -1.521 -1.526 5.449 1.00 0.22 C ATOM 709 CE2 PHE A 49 0.459 -1.455 4.055 1.00 0.19 C ATOM 710 CZ PHE A 49 -0.932 -1.545 4.180 1.00 0.19 C ATOM 0 H PHE A 49 -0.775 -2.494 8.960 1.00 0.19 H new ATOM 0 HA PHE A 49 1.156 -3.385 7.917 1.00 0.22 H new ATOM 0 HB2 PHE A 49 1.246 -0.349 8.286 1.00 0.23 H new ATOM 0 HB3 PHE A 49 2.570 -1.119 7.435 1.00 0.23 H new ATOM 0 HD1 PHE A 49 -1.179 -1.400 7.568 1.00 0.22 H new ATOM 0 HD2 PHE A 49 2.334 -1.283 5.102 1.00 0.21 H new ATOM 0 HE1 PHE A 49 -2.594 -1.596 5.547 1.00 0.22 H new ATOM 0 HE2 PHE A 49 0.915 -1.468 3.076 1.00 0.19 H new ATOM 0 HZ PHE A 49 -1.550 -1.629 3.298 1.00 0.19 H new ATOM 720 N ARG A 50 3.718 -2.719 8.765 1.00 0.29 N ATOM 721 CA ARG A 50 4.976 -3.037 9.497 1.00 0.35 C ATOM 722 C ARG A 50 6.131 -2.154 9.019 1.00 0.39 C ATOM 723 O ARG A 50 6.178 -1.726 7.883 1.00 0.44 O ATOM 724 CB ARG A 50 5.263 -4.501 9.161 1.00 0.33 C ATOM 725 CG ARG A 50 4.226 -5.396 9.842 1.00 0.39 C ATOM 726 CD ARG A 50 4.461 -5.389 11.355 1.00 0.50 C ATOM 727 NE ARG A 50 5.636 -6.281 11.561 1.00 0.67 N ATOM 728 CZ ARG A 50 6.660 -5.868 12.258 1.00 0.91 C ATOM 729 NH1 ARG A 50 7.090 -4.641 12.131 1.00 1.21 N ATOM 730 NH2 ARG A 50 7.258 -6.689 13.076 1.00 1.04 N ATOM 0 H ARG A 50 3.844 -2.431 7.795 1.00 0.29 H new ATOM 0 HA ARG A 50 4.873 -2.862 10.568 1.00 0.35 H new ATOM 0 HB2 ARG A 50 5.234 -4.649 8.082 1.00 0.33 H new ATOM 0 HB3 ARG A 50 6.266 -4.771 9.493 1.00 0.33 H new ATOM 0 HG2 ARG A 50 3.220 -5.041 9.618 1.00 0.39 H new ATOM 0 HG3 ARG A 50 4.298 -6.413 9.457 1.00 0.39 H new ATOM 0 HD2 ARG A 50 4.660 -4.381 11.720 1.00 0.50 H new ATOM 0 HD3 ARG A 50 3.587 -5.756 11.893 1.00 0.50 H new ATOM 0 HE ARG A 50 5.641 -7.217 11.156 1.00 0.67 H new ATOM 0 HH11 ARG A 50 6.626 -4.002 11.486 1.00 1.21 H new ATOM 0 HH12 ARG A 50 7.890 -4.322 12.677 1.00 1.21 H new ATOM 0 HH21 ARG A 50 6.925 -7.649 13.169 1.00 1.04 H new ATOM 0 HH22 ARG A 50 8.058 -6.371 13.623 1.00 1.04 H new ATOM 744 N SER A 51 7.070 -1.892 9.881 1.00 0.44 N ATOM 745 CA SER A 51 8.231 -1.051 9.489 1.00 0.50 C ATOM 746 C SER A 51 9.179 -1.842 8.580 1.00 0.50 C ATOM 747 O SER A 51 10.086 -1.289 7.989 1.00 0.60 O ATOM 748 CB SER A 51 8.932 -0.725 10.804 1.00 0.59 C ATOM 749 OG SER A 51 8.068 0.053 11.620 1.00 0.64 O ATOM 0 H SER A 51 7.083 -2.226 10.845 1.00 0.44 H new ATOM 0 HA SER A 51 7.926 -0.159 8.941 1.00 0.50 H new ATOM 0 HB2 SER A 51 9.207 -1.645 11.320 1.00 0.59 H new ATOM 0 HB3 SER A 51 9.856 -0.180 10.611 1.00 0.59 H new ATOM 0 HG SER A 51 8.517 0.262 12.466 1.00 0.64 H new ATOM 755 N ASN A 52 9.002 -3.133 8.487 1.00 0.46 N ATOM 756 CA ASN A 52 9.930 -3.939 7.642 1.00 0.46 C ATOM 757 C ASN A 52 9.197 -5.037 6.857 1.00 0.46 C ATOM 758 O ASN A 52 9.292 -6.204 7.181 1.00 0.54 O ATOM 759 CB ASN A 52 10.890 -4.564 8.653 1.00 0.48 C ATOM 760 CG ASN A 52 11.965 -5.364 7.919 1.00 0.53 C ATOM 761 OD1 ASN A 52 13.112 -4.803 7.651 1.00 0.59 O flip ATOM 762 ND2 ASN A 52 11.758 -6.513 7.583 1.00 0.65 N flip ATOM 0 H ASN A 52 8.264 -3.660 8.954 1.00 0.46 H new ATOM 0 HA ASN A 52 10.425 -3.326 6.889 1.00 0.46 H new ATOM 0 HB2 ASN A 52 11.353 -3.785 9.258 1.00 0.48 H new ATOM 0 HB3 ASN A 52 10.342 -5.214 9.335 1.00 0.48 H new ATOM 0 HD21 ASN A 52 10.861 -6.952 7.792 1.00 0.65 H new ATOM 0 HD22 ASN A 52 12.481 -7.039 7.092 1.00 0.65 H new ATOM 769 N TYR A 53 8.493 -4.689 5.813 1.00 0.40 N ATOM 770 CA TYR A 53 7.801 -5.740 5.013 1.00 0.42 C ATOM 771 C TYR A 53 8.311 -5.693 3.571 1.00 0.42 C ATOM 772 O TYR A 53 9.391 -5.200 3.309 1.00 0.48 O ATOM 773 CB TYR A 53 6.310 -5.406 5.084 1.00 0.39 C ATOM 774 CG TYR A 53 5.614 -6.427 5.955 1.00 0.35 C ATOM 775 CD1 TYR A 53 6.200 -6.827 7.161 1.00 0.33 C ATOM 776 CD2 TYR A 53 4.387 -6.977 5.557 1.00 0.45 C ATOM 777 CE1 TYR A 53 5.561 -7.772 7.971 1.00 0.34 C ATOM 778 CE2 TYR A 53 3.748 -7.922 6.368 1.00 0.43 C ATOM 779 CZ TYR A 53 4.337 -8.320 7.575 1.00 0.35 C ATOM 780 OH TYR A 53 3.708 -9.251 8.374 1.00 0.40 O ATOM 0 H TYR A 53 8.368 -3.732 5.482 1.00 0.40 H new ATOM 0 HA TYR A 53 7.988 -6.745 5.392 1.00 0.42 H new ATOM 0 HB2 TYR A 53 6.168 -4.405 5.492 1.00 0.39 H new ATOM 0 HB3 TYR A 53 5.877 -5.407 4.084 1.00 0.39 H new ATOM 0 HD1 TYR A 53 7.146 -6.406 7.467 1.00 0.33 H new ATOM 0 HD2 TYR A 53 3.935 -6.671 4.625 1.00 0.45 H new ATOM 0 HE1 TYR A 53 6.013 -8.078 8.903 1.00 0.34 H new ATOM 0 HE2 TYR A 53 2.802 -8.344 6.063 1.00 0.43 H new ATOM 0 HH TYR A 53 2.868 -9.529 7.953 1.00 0.40 H new ATOM 790 N ARG A 54 7.563 -6.201 2.633 1.00 0.41 N ATOM 791 CA ARG A 54 8.041 -6.178 1.220 1.00 0.43 C ATOM 792 C ARG A 54 7.086 -5.370 0.342 1.00 0.41 C ATOM 793 O ARG A 54 7.445 -4.947 -0.739 1.00 0.48 O ATOM 794 CB ARG A 54 8.053 -7.644 0.787 1.00 0.46 C ATOM 795 CG ARG A 54 9.427 -8.001 0.220 1.00 0.58 C ATOM 796 CD ARG A 54 10.279 -8.631 1.321 1.00 0.70 C ATOM 797 NE ARG A 54 10.862 -7.484 2.070 1.00 0.77 N ATOM 798 CZ ARG A 54 11.791 -7.696 2.959 1.00 0.94 C ATOM 799 NH1 ARG A 54 13.045 -7.749 2.593 1.00 0.81 N ATOM 800 NH2 ARG A 54 11.467 -7.864 4.212 1.00 1.44 N ATOM 0 H ARG A 54 6.648 -6.628 2.779 1.00 0.41 H new ATOM 0 HA ARG A 54 9.022 -5.712 1.126 1.00 0.43 H new ATOM 0 HB2 ARG A 54 7.821 -8.286 1.637 1.00 0.46 H new ATOM 0 HB3 ARG A 54 7.282 -7.818 0.036 1.00 0.46 H new ATOM 0 HG2 ARG A 54 9.320 -8.694 -0.614 1.00 0.58 H new ATOM 0 HG3 ARG A 54 9.916 -7.108 -0.168 1.00 0.58 H new ATOM 0 HD2 ARG A 54 9.675 -9.261 1.974 1.00 0.70 H new ATOM 0 HD3 ARG A 54 11.060 -9.264 0.900 1.00 0.70 H new ATOM 0 HE ARG A 54 10.535 -6.535 1.888 1.00 0.77 H new ATOM 0 HH11 ARG A 54 13.296 -7.624 1.612 1.00 0.81 H new ATOM 0 HH12 ARG A 54 13.773 -7.915 3.288 1.00 0.81 H new ATOM 0 HH21 ARG A 54 10.488 -7.829 4.495 1.00 1.44 H new ATOM 0 HH22 ARG A 54 12.193 -8.030 4.909 1.00 1.44 H new ATOM 814 N SER A 55 5.878 -5.148 0.803 1.00 0.35 N ATOM 815 CA SER A 55 4.884 -4.358 0.002 1.00 0.35 C ATOM 816 C SER A 55 3.462 -4.655 0.472 1.00 0.28 C ATOM 817 O SER A 55 2.913 -5.701 0.192 1.00 0.32 O ATOM 818 CB SER A 55 5.038 -4.826 -1.447 1.00 0.42 C ATOM 819 OG SER A 55 3.840 -4.544 -2.158 1.00 0.58 O ATOM 0 H SER A 55 5.535 -5.481 1.704 1.00 0.35 H new ATOM 0 HA SER A 55 5.060 -3.288 0.112 1.00 0.35 H new ATOM 0 HB2 SER A 55 5.882 -4.321 -1.917 1.00 0.42 H new ATOM 0 HB3 SER A 55 5.250 -5.895 -1.476 1.00 0.42 H new ATOM 0 HG SER A 55 3.934 -4.840 -3.087 1.00 0.58 H new ATOM 825 N LEU A 56 2.846 -3.739 1.158 1.00 0.23 N ATOM 826 CA LEU A 56 1.449 -3.981 1.611 1.00 0.19 C ATOM 827 C LEU A 56 0.518 -2.926 1.010 1.00 0.17 C ATOM 828 O LEU A 56 0.812 -1.748 1.009 1.00 0.22 O ATOM 829 CB LEU A 56 1.486 -3.869 3.138 1.00 0.25 C ATOM 830 CG LEU A 56 2.114 -5.124 3.743 1.00 0.24 C ATOM 831 CD1 LEU A 56 2.572 -4.827 5.172 1.00 0.25 C ATOM 832 CD2 LEU A 56 1.074 -6.243 3.769 1.00 0.27 C ATOM 0 H LEU A 56 3.244 -2.838 1.424 1.00 0.23 H new ATOM 0 HA LEU A 56 1.076 -4.955 1.295 1.00 0.19 H new ATOM 0 HB2 LEU A 56 2.058 -2.989 3.432 1.00 0.25 H new ATOM 0 HB3 LEU A 56 0.476 -3.736 3.525 1.00 0.25 H new ATOM 0 HG LEU A 56 2.971 -5.430 3.143 1.00 0.24 H new ATOM 0 HD11 LEU A 56 3.020 -5.722 5.604 1.00 0.25 H new ATOM 0 HD12 LEU A 56 3.308 -4.023 5.159 1.00 0.25 H new ATOM 0 HD13 LEU A 56 1.715 -4.524 5.773 1.00 0.25 H new ATOM 0 HD21 LEU A 56 1.517 -7.141 4.200 1.00 0.27 H new ATOM 0 HD22 LEU A 56 0.221 -5.933 4.373 1.00 0.27 H new ATOM 0 HD23 LEU A 56 0.741 -6.454 2.753 1.00 0.27 H new ATOM 844 N LEU A 57 -0.606 -3.345 0.500 1.00 0.17 N ATOM 845 CA LEU A 57 -1.562 -2.373 -0.100 1.00 0.18 C ATOM 846 C LEU A 57 -2.916 -2.500 0.593 1.00 0.17 C ATOM 847 O LEU A 57 -3.713 -3.359 0.267 1.00 0.20 O ATOM 848 CB LEU A 57 -1.672 -2.780 -1.570 1.00 0.18 C ATOM 849 CG LEU A 57 -2.408 -1.691 -2.357 1.00 0.21 C ATOM 850 CD1 LEU A 57 -2.008 -1.769 -3.832 1.00 0.33 C ATOM 851 CD2 LEU A 57 -3.919 -1.901 -2.231 1.00 0.29 C ATOM 0 H LEU A 57 -0.905 -4.320 0.473 1.00 0.17 H new ATOM 0 HA LEU A 57 -1.235 -1.339 0.008 1.00 0.18 H new ATOM 0 HB2 LEU A 57 -0.678 -2.935 -1.989 1.00 0.18 H new ATOM 0 HB3 LEU A 57 -2.205 -3.727 -1.656 1.00 0.18 H new ATOM 0 HG LEU A 57 -2.141 -0.713 -1.957 1.00 0.21 H new ATOM 0 HD11 LEU A 57 -2.531 -0.994 -4.392 1.00 0.33 H new ATOM 0 HD12 LEU A 57 -0.932 -1.620 -3.926 1.00 0.33 H new ATOM 0 HD13 LEU A 57 -2.275 -2.748 -4.230 1.00 0.33 H new ATOM 0 HD21 LEU A 57 -4.442 -1.126 -2.791 1.00 0.29 H new ATOM 0 HD22 LEU A 57 -4.185 -2.880 -2.631 1.00 0.29 H new ATOM 0 HD23 LEU A 57 -4.208 -1.847 -1.181 1.00 0.29 H new ATOM 863 N CYS A 58 -3.178 -1.660 1.551 1.00 0.17 N ATOM 864 CA CYS A 58 -4.477 -1.735 2.275 1.00 0.19 C ATOM 865 C CYS A 58 -5.262 -0.436 2.093 1.00 0.18 C ATOM 866 O CYS A 58 -4.699 0.639 2.032 1.00 0.29 O ATOM 867 CB CYS A 58 -4.093 -1.917 3.745 1.00 0.26 C ATOM 868 SG CYS A 58 -3.383 -3.567 3.994 1.00 0.29 S ATOM 0 H CYS A 58 -2.548 -0.922 1.866 1.00 0.17 H new ATOM 0 HA CYS A 58 -5.108 -2.544 1.907 1.00 0.19 H new ATOM 0 HB2 CYS A 58 -3.374 -1.153 4.040 1.00 0.26 H new ATOM 0 HB3 CYS A 58 -4.971 -1.789 4.378 1.00 0.26 H new ATOM 873 N CYS A 59 -6.560 -0.526 2.028 1.00 0.21 N ATOM 874 CA CYS A 59 -7.386 0.702 1.875 1.00 0.27 C ATOM 875 C CYS A 59 -8.315 0.832 3.079 1.00 0.30 C ATOM 876 O CYS A 59 -8.971 1.836 3.265 1.00 0.38 O ATOM 877 CB CYS A 59 -8.198 0.494 0.597 1.00 0.35 C ATOM 878 SG CYS A 59 -7.084 0.242 -0.805 1.00 0.33 S ATOM 0 H CYS A 59 -7.085 -1.399 2.074 1.00 0.21 H new ATOM 0 HA CYS A 59 -6.782 1.607 1.818 1.00 0.27 H new ATOM 0 HB2 CYS A 59 -8.856 -0.368 0.710 1.00 0.35 H new ATOM 0 HB3 CYS A 59 -8.835 1.360 0.416 1.00 0.35 H new ATOM 883 N THR A 60 -8.373 -0.184 3.901 1.00 0.35 N ATOM 884 CA THR A 60 -9.255 -0.132 5.098 1.00 0.45 C ATOM 885 C THR A 60 -10.671 0.308 4.689 1.00 0.43 C ATOM 886 O THR A 60 -11.436 0.797 5.497 1.00 0.52 O ATOM 887 CB THR A 60 -8.591 0.889 6.030 1.00 0.57 C ATOM 888 OG1 THR A 60 -8.834 2.205 5.548 1.00 0.59 O ATOM 889 CG2 THR A 60 -7.077 0.626 6.082 1.00 0.57 C ATOM 0 H THR A 60 -7.844 -1.049 3.791 1.00 0.35 H new ATOM 0 HA THR A 60 -9.366 -1.100 5.587 1.00 0.45 H new ATOM 0 HB THR A 60 -9.009 0.792 7.032 1.00 0.57 H new ATOM 0 HG1 THR A 60 -8.818 2.203 4.568 1.00 0.59 H new ATOM 0 HG21 THR A 60 -6.604 1.351 6.744 1.00 0.57 H new ATOM 0 HG22 THR A 60 -6.895 -0.381 6.458 1.00 0.57 H new ATOM 0 HG23 THR A 60 -6.657 0.721 5.081 1.00 0.57 H new ATOM 897 N THR A 61 -11.024 0.122 3.437 1.00 0.38 N ATOM 898 CA THR A 61 -12.392 0.515 2.963 1.00 0.38 C ATOM 899 C THR A 61 -12.863 -0.438 1.847 1.00 0.45 C ATOM 900 O THR A 61 -12.067 -1.085 1.197 1.00 0.66 O ATOM 901 CB THR A 61 -12.242 1.941 2.416 1.00 0.37 C ATOM 902 OG1 THR A 61 -11.303 1.940 1.351 1.00 0.43 O ATOM 903 CG2 THR A 61 -11.755 2.881 3.522 1.00 0.44 C ATOM 0 H THR A 61 -10.422 -0.286 2.722 1.00 0.38 H new ATOM 0 HA THR A 61 -13.130 0.464 3.764 1.00 0.38 H new ATOM 0 HB THR A 61 -13.210 2.288 2.055 1.00 0.37 H new ATOM 0 HG1 THR A 61 -10.396 2.022 1.714 1.00 0.43 H new ATOM 0 HG21 THR A 61 -11.652 3.890 3.123 1.00 0.44 H new ATOM 0 HG22 THR A 61 -12.476 2.886 4.339 1.00 0.44 H new ATOM 0 HG23 THR A 61 -10.789 2.537 3.893 1.00 0.44 H new ATOM 911 N ASP A 62 -14.149 -0.523 1.618 1.00 0.38 N ATOM 912 CA ASP A 62 -14.670 -1.427 0.543 1.00 0.39 C ATOM 913 C ASP A 62 -14.625 -0.722 -0.817 1.00 0.39 C ATOM 914 O ASP A 62 -14.962 0.439 -0.927 1.00 0.47 O ATOM 915 CB ASP A 62 -16.121 -1.713 0.934 1.00 0.45 C ATOM 916 CG ASP A 62 -16.745 -2.685 -0.073 1.00 0.44 C ATOM 917 OD1 ASP A 62 -15.995 -3.367 -0.751 1.00 0.50 O ATOM 918 OD2 ASP A 62 -17.962 -2.729 -0.148 1.00 0.48 O ATOM 0 H ASP A 62 -14.864 -0.005 2.129 1.00 0.38 H new ATOM 0 HA ASP A 62 -14.077 -2.337 0.454 1.00 0.39 H new ATOM 0 HB2 ASP A 62 -16.161 -2.138 1.937 1.00 0.45 H new ATOM 0 HB3 ASP A 62 -16.691 -0.784 0.959 1.00 0.45 H new ATOM 923 N ASN A 63 -14.222 -1.410 -1.855 1.00 0.38 N ATOM 924 CA ASN A 63 -14.176 -0.762 -3.198 1.00 0.38 C ATOM 925 C ASN A 63 -13.073 0.296 -3.210 1.00 0.36 C ATOM 926 O ASN A 63 -13.287 1.434 -3.579 1.00 0.41 O ATOM 927 CB ASN A 63 -15.560 -0.124 -3.386 1.00 0.43 C ATOM 928 CG ASN A 63 -16.636 -1.065 -2.831 1.00 0.48 C ATOM 929 OD1 ASN A 63 -16.460 -2.355 -2.921 1.00 0.66 O flip ATOM 930 ND2 ASN A 63 -17.638 -0.622 -2.306 1.00 0.46 N flip ATOM 0 H ASN A 63 -13.925 -2.385 -1.830 1.00 0.38 H new ATOM 0 HA ASN A 63 -13.956 -1.465 -4.002 1.00 0.38 H new ATOM 0 HB2 ASN A 63 -15.602 0.837 -2.873 1.00 0.43 H new ATOM 0 HB3 ASN A 63 -15.742 0.071 -4.443 1.00 0.43 H new ATOM 0 HD21 ASN A 63 -17.774 0.386 -2.236 1.00 0.46 H new ATOM 0 HD22 ASN A 63 -18.343 -1.259 -1.935 1.00 0.46 H new ATOM 937 N CYS A 64 -11.892 -0.077 -2.802 1.00 0.35 N ATOM 938 CA CYS A 64 -10.766 0.896 -2.776 1.00 0.35 C ATOM 939 C CYS A 64 -10.702 1.655 -4.103 1.00 0.37 C ATOM 940 O CYS A 64 -10.467 2.846 -4.137 1.00 0.42 O ATOM 941 CB CYS A 64 -9.520 0.029 -2.586 1.00 0.38 C ATOM 942 SG CYS A 64 -8.065 1.084 -2.357 1.00 0.34 S ATOM 0 H CYS A 64 -11.658 -1.018 -2.484 1.00 0.35 H new ATOM 0 HA CYS A 64 -10.869 1.644 -1.990 1.00 0.35 H new ATOM 0 HB2 CYS A 64 -9.648 -0.622 -1.721 1.00 0.38 H new ATOM 0 HB3 CYS A 64 -9.379 -0.616 -3.453 1.00 0.38 H new ATOM 947 N ASN A 65 -10.921 0.977 -5.194 1.00 0.42 N ATOM 948 CA ASN A 65 -10.883 1.664 -6.515 1.00 0.46 C ATOM 949 C ASN A 65 -12.227 1.501 -7.230 1.00 0.42 C ATOM 950 O ASN A 65 -12.577 0.423 -7.669 1.00 0.41 O ATOM 951 CB ASN A 65 -9.771 0.967 -7.300 1.00 0.52 C ATOM 952 CG ASN A 65 -9.185 1.935 -8.331 1.00 0.62 C ATOM 953 OD1 ASN A 65 -9.866 2.994 -8.678 1.00 0.71 O flip ATOM 954 ND2 ASN A 65 -8.093 1.729 -8.822 1.00 0.76 N flip ATOM 0 H ASN A 65 -11.124 -0.022 -5.229 1.00 0.42 H new ATOM 0 HA ASN A 65 -10.699 2.734 -6.417 1.00 0.46 H new ATOM 0 HB2 ASN A 65 -8.990 0.628 -6.620 1.00 0.52 H new ATOM 0 HB3 ASN A 65 -10.165 0.082 -7.800 1.00 0.52 H new ATOM 0 HD21 ASN A 65 -7.560 0.902 -8.552 1.00 0.76 H new ATOM 0 HD22 ASN A 65 -7.709 2.383 -9.504 1.00 0.76 H new ATOM 961 N HIS A 66 -12.980 2.560 -7.363 1.00 0.43 N ATOM 962 CA HIS A 66 -14.278 2.460 -8.058 1.00 0.42 C ATOM 963 C HIS A 66 -14.752 3.844 -8.507 1.00 0.45 C ATOM 964 O HIS A 66 -14.054 4.459 -9.295 1.00 0.53 O ATOM 965 CB HIS A 66 -15.246 1.846 -7.047 1.00 0.48 C ATOM 966 CG HIS A 66 -16.276 1.029 -7.782 1.00 0.51 C ATOM 967 ND1 HIS A 66 -16.757 1.398 -9.029 1.00 0.59 N ATOM 968 CD2 HIS A 66 -16.918 -0.143 -7.465 1.00 0.59 C ATOM 969 CE1 HIS A 66 -17.646 0.463 -9.414 1.00 0.65 C ATOM 970 NE2 HIS A 66 -17.782 -0.498 -8.497 1.00 0.63 N ATOM 971 OXT HIS A 66 -15.807 4.261 -8.059 1.00 0.46 O ATOM 0 H HIS A 66 -12.744 3.490 -7.016 1.00 0.43 H new ATOM 0 HA HIS A 66 -14.210 1.848 -8.958 1.00 0.42 H new ATOM 0 HB2 HIS A 66 -14.703 1.218 -6.340 1.00 0.48 H new ATOM 0 HB3 HIS A 66 -15.732 2.631 -6.468 1.00 0.48 H new ATOM 0 HD2 HIS A 66 -16.774 -0.704 -6.553 1.00 0.59 H new ATOM 0 HE1 HIS A 66 -18.184 0.487 -10.350 1.00 0.65 H new ATOM 0 HE2 HIS A 66 -18.389 -1.317 -8.543 1.00 0.63 H new ATOM 980 N ARG B 1 19.320 7.997 -4.070 1.00 0.48 N ATOM 981 CA ARG B 1 19.450 8.079 -5.553 1.00 0.40 C ATOM 982 C ARG B 1 18.085 7.873 -6.218 1.00 0.36 C ATOM 983 O ARG B 1 17.467 8.810 -6.684 1.00 0.39 O ATOM 984 CB ARG B 1 20.417 6.953 -5.934 1.00 0.65 C ATOM 985 CG ARG B 1 21.833 7.332 -5.488 1.00 0.71 C ATOM 986 CD ARG B 1 22.861 6.706 -6.435 1.00 0.69 C ATOM 987 NE ARG B 1 24.188 7.083 -5.867 1.00 0.76 N ATOM 988 CZ ARG B 1 24.896 6.199 -5.216 1.00 0.62 C ATOM 989 NH1 ARG B 1 24.618 5.914 -3.974 1.00 0.67 N ATOM 990 NH2 ARG B 1 25.891 5.601 -5.807 1.00 0.64 N ATOM 0 H1 ARG B 1 19.908 8.733 -3.629 1.00 0.48 H new ATOM 0 H2 ARG B 1 18.326 8.140 -3.800 1.00 0.48 H new ATOM 0 H3 ARG B 1 19.635 7.061 -3.745 1.00 0.48 H new ATOM 0 HA ARG B 1 19.815 9.052 -5.882 1.00 0.40 H new ATOM 0 HB2 ARG B 1 20.112 6.020 -5.461 1.00 0.65 H new ATOM 0 HB3 ARG B 1 20.394 6.787 -7.011 1.00 0.65 H new ATOM 0 HG2 ARG B 1 21.944 8.416 -5.482 1.00 0.71 H new ATOM 0 HG3 ARG B 1 22.007 6.988 -4.469 1.00 0.71 H new ATOM 0 HD2 ARG B 1 22.745 5.623 -6.483 1.00 0.69 H new ATOM 0 HD3 ARG B 1 22.744 7.085 -7.450 1.00 0.69 H new ATOM 0 HE ARG B 1 24.543 8.032 -5.987 1.00 0.76 H new ATOM 0 HH11 ARG B 1 23.843 6.382 -3.504 1.00 0.67 H new ATOM 0 HH12 ARG B 1 25.175 5.223 -3.472 1.00 0.67 H new ATOM 0 HH21 ARG B 1 26.116 5.823 -6.777 1.00 0.64 H new ATOM 0 HH22 ARG B 1 26.445 4.911 -5.300 1.00 0.64 H new ATOM 1006 N THR B 2 17.611 6.659 -6.270 1.00 0.39 N ATOM 1007 CA THR B 2 16.289 6.403 -6.911 1.00 0.37 C ATOM 1008 C THR B 2 15.625 5.163 -6.313 1.00 0.38 C ATOM 1009 O THR B 2 16.006 4.681 -5.266 1.00 0.44 O ATOM 1010 CB THR B 2 16.608 6.172 -8.386 1.00 0.45 C ATOM 1011 OG1 THR B 2 17.820 5.438 -8.500 1.00 0.54 O ATOM 1012 CG2 THR B 2 16.745 7.517 -9.088 1.00 0.50 C ATOM 0 H THR B 2 18.080 5.834 -5.897 1.00 0.39 H new ATOM 0 HA THR B 2 15.597 7.231 -6.759 1.00 0.37 H new ATOM 0 HB THR B 2 15.803 5.604 -8.852 1.00 0.45 H new ATOM 0 HG1 THR B 2 18.024 5.288 -9.447 1.00 0.54 H new ATOM 0 HG21 THR B 2 16.973 7.356 -10.142 1.00 0.50 H new ATOM 0 HG22 THR B 2 15.810 8.071 -8.999 1.00 0.50 H new ATOM 0 HG23 THR B 2 17.550 8.088 -8.626 1.00 0.50 H new ATOM 1020 N CYS B 3 14.635 4.643 -6.985 1.00 0.36 N ATOM 1021 CA CYS B 3 13.940 3.427 -6.485 1.00 0.38 C ATOM 1022 C CYS B 3 13.974 2.350 -7.580 1.00 0.38 C ATOM 1023 O CYS B 3 14.505 1.274 -7.396 1.00 0.42 O ATOM 1024 CB CYS B 3 12.507 3.884 -6.182 1.00 0.38 C ATOM 1025 SG CYS B 3 12.288 4.036 -4.387 1.00 0.47 S ATOM 0 H CYS B 3 14.276 5.012 -7.865 1.00 0.36 H new ATOM 0 HA CYS B 3 14.403 2.995 -5.598 1.00 0.38 H new ATOM 0 HB2 CYS B 3 12.309 4.841 -6.666 1.00 0.38 H new ATOM 0 HB3 CYS B 3 11.792 3.168 -6.587 1.00 0.38 H new ATOM 1129 N PRO B 11 8.912 5.473 -10.492 1.00 0.38 N ATOM 1130 CA PRO B 11 9.751 6.499 -9.824 1.00 0.42 C ATOM 1131 C PRO B 11 11.186 6.426 -10.360 1.00 0.44 C ATOM 1132 O PRO B 11 11.589 5.442 -10.946 1.00 0.48 O ATOM 1133 CB PRO B 11 9.698 6.111 -8.348 1.00 0.39 C ATOM 1134 CG PRO B 11 9.398 4.650 -8.354 1.00 0.35 C ATOM 1135 CD PRO B 11 8.529 4.404 -9.560 1.00 0.33 C ATOM 0 HA PRO B 11 9.406 7.519 -9.995 1.00 0.42 H new ATOM 0 HB2 PRO B 11 10.644 6.319 -7.849 1.00 0.39 H new ATOM 0 HB3 PRO B 11 8.928 6.672 -7.818 1.00 0.39 H new ATOM 0 HG2 PRO B 11 10.316 4.064 -8.410 1.00 0.35 H new ATOM 0 HG3 PRO B 11 8.886 4.354 -7.438 1.00 0.35 H new ATOM 0 HD2 PRO B 11 8.708 3.417 -9.988 1.00 0.33 H new ATOM 0 HD3 PRO B 11 7.470 4.454 -9.307 1.00 0.33 H new ATOM 1143 N GLN B 12 11.958 7.454 -10.154 1.00 0.47 N ATOM 1144 CA GLN B 12 13.363 7.456 -10.632 1.00 0.52 C ATOM 1145 C GLN B 12 14.141 8.449 -9.780 1.00 0.45 C ATOM 1146 O GLN B 12 15.086 9.073 -10.220 1.00 0.54 O ATOM 1147 CB GLN B 12 13.300 7.901 -12.097 1.00 0.63 C ATOM 1148 CG GLN B 12 12.805 9.347 -12.185 1.00 0.62 C ATOM 1149 CD GLN B 12 13.012 9.869 -13.609 1.00 0.70 C ATOM 1150 OE1 GLN B 12 12.889 9.128 -14.565 1.00 0.85 O ATOM 1151 NE2 GLN B 12 13.324 11.122 -13.792 1.00 0.79 N ATOM 0 H GLN B 12 11.670 8.303 -9.668 1.00 0.47 H new ATOM 0 HA GLN B 12 13.854 6.486 -10.556 1.00 0.52 H new ATOM 0 HB2 GLN B 12 14.286 7.817 -12.554 1.00 0.63 H new ATOM 0 HB3 GLN B 12 12.633 7.245 -12.656 1.00 0.63 H new ATOM 0 HG2 GLN B 12 11.750 9.399 -11.917 1.00 0.62 H new ATOM 0 HG3 GLN B 12 13.346 9.972 -11.474 1.00 0.62 H new ATOM 0 HE21 GLN B 12 13.427 11.744 -12.990 1.00 0.79 H new ATOM 0 HE22 GLN B 12 13.465 11.480 -14.737 1.00 0.79 H new ATOM 1160 N THR B 13 13.715 8.610 -8.555 1.00 0.36 N ATOM 1161 CA THR B 13 14.380 9.561 -7.635 1.00 0.31 C ATOM 1162 C THR B 13 14.318 9.031 -6.214 1.00 0.24 C ATOM 1163 O THR B 13 13.711 8.015 -5.939 1.00 0.26 O ATOM 1164 CB THR B 13 13.513 10.799 -7.684 1.00 0.35 C ATOM 1165 OG1 THR B 13 13.013 10.985 -9.000 1.00 0.37 O ATOM 1166 CG2 THR B 13 14.322 12.028 -7.257 1.00 0.44 C ATOM 0 H THR B 13 12.921 8.112 -8.153 1.00 0.36 H new ATOM 0 HA THR B 13 15.421 9.730 -7.912 1.00 0.31 H new ATOM 0 HB THR B 13 12.677 10.671 -6.997 1.00 0.35 H new ATOM 0 HG1 THR B 13 13.762 11.091 -9.623 1.00 0.37 H new ATOM 0 HG21 THR B 13 13.687 12.913 -7.296 1.00 0.44 H new ATOM 0 HG22 THR B 13 14.687 11.888 -6.239 1.00 0.44 H new ATOM 0 HG23 THR B 13 15.169 12.159 -7.931 1.00 0.44 H new ATOM 1174 N CYS B 14 14.891 9.752 -5.304 1.00 0.24 N ATOM 1175 CA CYS B 14 14.826 9.355 -3.880 1.00 0.20 C ATOM 1176 C CYS B 14 15.857 10.149 -3.076 1.00 0.19 C ATOM 1177 O CYS B 14 16.765 9.581 -2.502 1.00 0.21 O ATOM 1178 CB CYS B 14 15.143 7.855 -3.833 1.00 0.19 C ATOM 1179 SG CYS B 14 13.676 6.947 -3.278 1.00 0.28 S ATOM 0 H CYS B 14 15.409 10.611 -5.488 1.00 0.24 H new ATOM 0 HA CYS B 14 13.845 9.557 -3.449 1.00 0.20 H new ATOM 0 HB2 CYS B 14 15.449 7.506 -4.819 1.00 0.19 H new ATOM 0 HB3 CYS B 14 15.977 7.669 -3.156 1.00 0.19 H new ATOM 1184 N PRO B 15 15.688 11.447 -3.062 1.00 0.23 N ATOM 1185 CA PRO B 15 16.627 12.328 -2.321 1.00 0.24 C ATOM 1186 C PRO B 15 16.411 12.213 -0.805 1.00 0.18 C ATOM 1187 O PRO B 15 16.314 13.201 -0.105 1.00 0.25 O ATOM 1188 CB PRO B 15 16.275 13.727 -2.824 1.00 0.38 C ATOM 1189 CG PRO B 15 14.856 13.632 -3.285 1.00 0.43 C ATOM 1190 CD PRO B 15 14.622 12.209 -3.727 1.00 0.32 C ATOM 0 HA PRO B 15 17.673 12.070 -2.487 1.00 0.24 H new ATOM 0 HB2 PRO B 15 16.383 14.469 -2.033 1.00 0.38 H new ATOM 0 HB3 PRO B 15 16.934 14.030 -3.638 1.00 0.38 H new ATOM 0 HG2 PRO B 15 14.172 13.902 -2.481 1.00 0.43 H new ATOM 0 HG3 PRO B 15 14.672 14.325 -4.106 1.00 0.43 H new ATOM 0 HD2 PRO B 15 13.635 11.856 -3.429 1.00 0.32 H new ATOM 0 HD3 PRO B 15 14.681 12.114 -4.811 1.00 0.32 H new ATOM 1198 N ASN B 16 16.348 11.010 -0.296 1.00 0.23 N ATOM 1199 CA ASN B 16 16.153 10.820 1.170 1.00 0.30 C ATOM 1200 C ASN B 16 17.294 9.973 1.741 1.00 0.34 C ATOM 1201 O ASN B 16 17.444 9.837 2.939 1.00 0.45 O ATOM 1202 CB ASN B 16 14.829 10.068 1.298 1.00 0.29 C ATOM 1203 CG ASN B 16 13.692 10.912 0.715 1.00 0.32 C ATOM 1204 OD1 ASN B 16 13.295 10.718 -0.416 1.00 0.43 O ATOM 1205 ND2 ASN B 16 13.145 11.842 1.448 1.00 0.33 N ATOM 0 H ASN B 16 16.424 10.148 -0.836 1.00 0.23 H new ATOM 0 HA ASN B 16 16.143 11.765 1.712 1.00 0.30 H new ATOM 0 HB2 ASN B 16 14.891 9.114 0.775 1.00 0.29 H new ATOM 0 HB3 ASN B 16 14.627 9.844 2.346 1.00 0.29 H new ATOM 0 HD21 ASN B 16 12.384 12.406 1.071 1.00 0.33 H new ATOM 0 HD22 ASN B 16 13.479 12.005 2.398 1.00 0.33 H new ATOM 1212 N GLY B 17 18.092 9.396 0.886 1.00 0.36 N ATOM 1213 CA GLY B 17 19.222 8.551 1.365 1.00 0.45 C ATOM 1214 C GLY B 17 18.786 7.083 1.391 1.00 0.57 C ATOM 1215 O GLY B 17 19.325 6.253 0.686 1.00 0.69 O ATOM 0 H GLY B 17 18.010 9.474 -0.128 1.00 0.36 H new ATOM 0 HA2 GLY B 17 20.085 8.674 0.710 1.00 0.45 H new ATOM 0 HA3 GLY B 17 19.530 8.868 2.361 1.00 0.45 H new ATOM 1219 N GLN B 18 17.817 6.757 2.202 1.00 0.60 N ATOM 1220 CA GLN B 18 17.345 5.341 2.282 1.00 0.75 C ATOM 1221 C GLN B 18 16.756 4.888 0.944 1.00 0.69 C ATOM 1222 O GLN B 18 16.648 3.709 0.673 1.00 0.75 O ATOM 1223 CB GLN B 18 16.258 5.351 3.353 1.00 0.90 C ATOM 1224 CG GLN B 18 16.848 5.827 4.678 1.00 1.09 C ATOM 1225 CD GLN B 18 16.215 5.037 5.823 1.00 1.28 C ATOM 1226 OE1 GLN B 18 15.320 4.244 5.607 1.00 1.48 O ATOM 1227 NE2 GLN B 18 16.642 5.222 7.041 1.00 1.30 N ATOM 0 H GLN B 18 17.329 7.410 2.815 1.00 0.60 H new ATOM 0 HA GLN B 18 18.159 4.656 2.517 1.00 0.75 H new ATOM 0 HB2 GLN B 18 15.442 6.007 3.051 1.00 0.90 H new ATOM 0 HB3 GLN B 18 15.838 4.352 3.469 1.00 0.90 H new ATOM 0 HG2 GLN B 18 17.929 5.689 4.679 1.00 1.09 H new ATOM 0 HG3 GLN B 18 16.663 6.893 4.810 1.00 1.09 H new ATOM 0 HE21 GLN B 18 17.393 5.888 7.222 1.00 1.30 H new ATOM 0 HE22 GLN B 18 16.225 4.701 7.812 1.00 1.30 H new ATOM 1236 N ASP B 19 16.364 5.819 0.116 1.00 0.75 N ATOM 1237 CA ASP B 19 15.771 5.463 -1.209 1.00 0.70 C ATOM 1238 C ASP B 19 14.480 4.646 -1.042 1.00 0.57 C ATOM 1239 O ASP B 19 14.263 3.670 -1.732 1.00 0.55 O ATOM 1240 CB ASP B 19 16.843 4.635 -1.927 1.00 0.84 C ATOM 1241 CG ASP B 19 17.988 5.549 -2.367 1.00 0.85 C ATOM 1242 OD1 ASP B 19 18.095 6.636 -1.825 1.00 0.91 O ATOM 1243 OD2 ASP B 19 18.738 5.145 -3.241 1.00 0.92 O ATOM 0 H ASP B 19 16.429 6.820 0.301 1.00 0.75 H new ATOM 0 HA ASP B 19 15.497 6.355 -1.773 1.00 0.70 H new ATOM 0 HB2 ASP B 19 17.220 3.856 -1.264 1.00 0.84 H new ATOM 0 HB3 ASP B 19 16.411 4.134 -2.793 1.00 0.84 H new ATOM 1248 N ILE B 20 13.612 5.045 -0.146 1.00 0.57 N ATOM 1249 CA ILE B 20 12.333 4.290 0.047 1.00 0.49 C ATOM 1250 C ILE B 20 11.172 5.036 -0.624 1.00 0.41 C ATOM 1251 O ILE B 20 10.993 6.222 -0.431 1.00 0.44 O ATOM 1252 CB ILE B 20 12.127 4.237 1.564 1.00 0.54 C ATOM 1253 CG1 ILE B 20 13.330 3.553 2.213 1.00 0.61 C ATOM 1254 CG2 ILE B 20 10.857 3.445 1.888 1.00 0.60 C ATOM 1255 CD1 ILE B 20 13.460 2.127 1.675 1.00 0.75 C ATOM 0 H ILE B 20 13.732 5.858 0.459 1.00 0.57 H new ATOM 0 HA ILE B 20 12.372 3.294 -0.395 1.00 0.49 H new ATOM 0 HB ILE B 20 12.026 5.251 1.950 1.00 0.54 H new ATOM 0 HG12 ILE B 20 14.239 4.116 2.002 1.00 0.61 H new ATOM 0 HG13 ILE B 20 13.210 3.535 3.296 1.00 0.61 H new ATOM 0 HG21 ILE B 20 10.715 3.410 2.968 1.00 0.60 H new ATOM 0 HG22 ILE B 20 9.998 3.930 1.425 1.00 0.60 H new ATOM 0 HG23 ILE B 20 10.953 2.430 1.502 1.00 0.60 H new ATOM 0 HD11 ILE B 20 14.318 1.640 2.138 1.00 0.75 H new ATOM 0 HD12 ILE B 20 12.555 1.566 1.908 1.00 0.75 H new ATOM 0 HD13 ILE B 20 13.600 2.157 0.594 1.00 0.75 H new ATOM 1267 N CYS B 21 10.382 4.353 -1.413 1.00 0.35 N ATOM 1268 CA CYS B 21 9.237 5.031 -2.094 1.00 0.33 C ATOM 1269 C CYS B 21 7.905 4.427 -1.628 1.00 0.35 C ATOM 1270 O CYS B 21 7.821 3.257 -1.309 1.00 0.44 O ATOM 1271 CB CYS B 21 9.451 4.763 -3.588 1.00 0.39 C ATOM 1272 SG CYS B 21 10.980 5.562 -4.147 1.00 0.45 S ATOM 0 H CYS B 21 10.480 3.358 -1.615 1.00 0.35 H new ATOM 0 HA CYS B 21 9.198 6.097 -1.869 1.00 0.33 H new ATOM 0 HB2 CYS B 21 9.504 3.690 -3.770 1.00 0.39 H new ATOM 0 HB3 CYS B 21 8.603 5.141 -4.159 1.00 0.39 H new ATOM 1277 N PHE B 22 6.859 5.213 -1.600 1.00 0.33 N ATOM 1278 CA PHE B 22 5.544 4.688 -1.175 1.00 0.37 C ATOM 1279 C PHE B 22 4.418 5.590 -1.681 1.00 0.36 C ATOM 1280 O PHE B 22 4.650 6.611 -2.301 1.00 0.44 O ATOM 1281 CB PHE B 22 5.575 4.669 0.360 1.00 0.41 C ATOM 1282 CG PHE B 22 5.224 6.040 0.907 1.00 0.34 C ATOM 1283 CD1 PHE B 22 6.112 7.111 0.751 1.00 0.32 C ATOM 1284 CD2 PHE B 22 4.000 6.236 1.561 1.00 0.42 C ATOM 1285 CE1 PHE B 22 5.777 8.377 1.251 1.00 0.31 C ATOM 1286 CE2 PHE B 22 3.665 7.502 2.059 1.00 0.41 C ATOM 1287 CZ PHE B 22 4.553 8.573 1.904 1.00 0.33 C ATOM 0 H PHE B 22 6.868 6.200 -1.856 1.00 0.33 H new ATOM 0 HA PHE B 22 5.359 3.694 -1.581 1.00 0.37 H new ATOM 0 HB2 PHE B 22 4.870 3.928 0.736 1.00 0.41 H new ATOM 0 HB3 PHE B 22 6.565 4.373 0.708 1.00 0.41 H new ATOM 0 HD1 PHE B 22 7.055 6.962 0.246 1.00 0.32 H new ATOM 0 HD2 PHE B 22 3.314 5.410 1.681 1.00 0.42 H new ATOM 0 HE1 PHE B 22 6.463 9.202 1.133 1.00 0.31 H new ATOM 0 HE2 PHE B 22 2.721 7.652 2.563 1.00 0.41 H new ATOM 0 HZ PHE B 22 4.295 9.549 2.287 1.00 0.33 H new ATOM 1297 N LEU B 23 3.200 5.225 -1.405 1.00 0.31 N ATOM 1298 CA LEU B 23 2.054 6.064 -1.850 1.00 0.32 C ATOM 1299 C LEU B 23 1.294 6.591 -0.635 1.00 0.29 C ATOM 1300 O LEU B 23 1.259 5.962 0.404 1.00 0.34 O ATOM 1301 CB LEU B 23 1.158 5.140 -2.668 1.00 0.33 C ATOM 1302 CG LEU B 23 0.103 5.984 -3.380 1.00 0.39 C ATOM 1303 CD1 LEU B 23 -0.290 5.310 -4.694 1.00 0.47 C ATOM 1304 CD2 LEU B 23 -1.129 6.122 -2.481 1.00 0.45 C ATOM 0 H LEU B 23 2.947 4.382 -0.890 1.00 0.31 H new ATOM 0 HA LEU B 23 2.383 6.924 -2.433 1.00 0.32 H new ATOM 0 HB2 LEU B 23 1.751 4.585 -3.395 1.00 0.33 H new ATOM 0 HB3 LEU B 23 0.680 4.406 -2.019 1.00 0.33 H new ATOM 0 HG LEU B 23 0.509 6.973 -3.592 1.00 0.39 H new ATOM 0 HD11 LEU B 23 -1.043 5.913 -5.201 1.00 0.47 H new ATOM 0 HD12 LEU B 23 0.589 5.215 -5.332 1.00 0.47 H new ATOM 0 HD13 LEU B 23 -0.697 4.320 -4.488 1.00 0.47 H new ATOM 0 HD21 LEU B 23 -1.883 6.724 -2.987 1.00 0.45 H new ATOM 0 HD22 LEU B 23 -1.537 5.134 -2.268 1.00 0.45 H new ATOM 0 HD23 LEU B 23 -0.845 6.606 -1.547 1.00 0.45 H new ATOM 1316 N LYS B 24 0.685 7.739 -0.744 1.00 0.28 N ATOM 1317 CA LYS B 24 -0.062 8.276 0.424 1.00 0.31 C ATOM 1318 C LYS B 24 -1.503 8.622 0.056 1.00 0.32 C ATOM 1319 O LYS B 24 -1.761 9.462 -0.783 1.00 0.34 O ATOM 1320 CB LYS B 24 0.684 9.537 0.847 1.00 0.34 C ATOM 1321 CG LYS B 24 0.106 10.029 2.177 1.00 0.35 C ATOM 1322 CD LYS B 24 0.392 11.520 2.346 1.00 0.33 C ATOM 1323 CE LYS B 24 0.519 11.846 3.836 1.00 0.39 C ATOM 1324 NZ LYS B 24 -0.713 12.612 4.171 1.00 0.34 N ATOM 0 H LYS B 24 0.672 8.322 -1.581 1.00 0.28 H new ATOM 0 HA LYS B 24 -0.113 7.537 1.224 1.00 0.31 H new ATOM 0 HB2 LYS B 24 1.749 9.328 0.952 1.00 0.34 H new ATOM 0 HB3 LYS B 24 0.584 10.309 0.084 1.00 0.34 H new ATOM 0 HG2 LYS B 24 -0.969 9.850 2.205 1.00 0.35 H new ATOM 0 HG3 LYS B 24 0.544 9.469 3.004 1.00 0.35 H new ATOM 0 HD2 LYS B 24 1.311 11.787 1.824 1.00 0.33 H new ATOM 0 HD3 LYS B 24 -0.410 12.108 1.900 1.00 0.33 H new ATOM 0 HE2 LYS B 24 0.593 10.937 4.434 1.00 0.39 H new ATOM 0 HE3 LYS B 24 1.415 12.433 4.036 1.00 0.39 H new ATOM 0 HZ1 LYS B 24 -0.698 12.871 5.178 1.00 0.34 H new ATOM 0 HZ2 LYS B 24 -0.753 13.475 3.592 1.00 0.34 H new ATOM 0 HZ3 LYS B 24 -1.550 12.026 3.977 1.00 0.34 H new ATOM 1338 N ALA B 25 -2.442 8.000 0.707 1.00 0.35 N ATOM 1339 CA ALA B 25 -3.873 8.306 0.437 1.00 0.38 C ATOM 1340 C ALA B 25 -4.519 8.809 1.727 1.00 0.34 C ATOM 1341 O ALA B 25 -4.491 8.143 2.743 1.00 0.43 O ATOM 1342 CB ALA B 25 -4.503 6.985 0.001 1.00 0.43 C ATOM 0 H ALA B 25 -2.280 7.288 1.419 1.00 0.35 H new ATOM 0 HA ALA B 25 -4.003 9.072 -0.328 1.00 0.38 H new ATOM 0 HB1 ALA B 25 -5.560 7.140 -0.214 1.00 0.43 H new ATOM 0 HB2 ALA B 25 -4.000 6.620 -0.895 1.00 0.43 H new ATOM 0 HB3 ALA B 25 -4.399 6.251 0.800 1.00 0.43 H new ATOM 1348 N GLN B 26 -5.083 9.981 1.705 1.00 0.33 N ATOM 1349 CA GLN B 26 -5.709 10.522 2.942 1.00 0.35 C ATOM 1350 C GLN B 26 -7.084 11.114 2.630 1.00 0.39 C ATOM 1351 O GLN B 26 -7.525 11.128 1.497 1.00 0.43 O ATOM 1352 CB GLN B 26 -4.741 11.605 3.426 1.00 0.37 C ATOM 1353 CG GLN B 26 -4.660 12.724 2.384 1.00 0.35 C ATOM 1354 CD GLN B 26 -3.555 13.706 2.770 1.00 0.34 C ATOM 1355 OE1 GLN B 26 -2.783 14.132 1.934 1.00 0.38 O ATOM 1356 NE2 GLN B 26 -3.447 14.088 4.012 1.00 0.46 N ATOM 0 H GLN B 26 -5.138 10.587 0.887 1.00 0.33 H new ATOM 0 HA GLN B 26 -5.871 9.754 3.698 1.00 0.35 H new ATOM 0 HB2 GLN B 26 -5.078 12.008 4.381 1.00 0.37 H new ATOM 0 HB3 GLN B 26 -3.753 11.176 3.591 1.00 0.37 H new ATOM 0 HG2 GLN B 26 -4.458 12.303 1.399 1.00 0.35 H new ATOM 0 HG3 GLN B 26 -5.616 13.244 2.319 1.00 0.35 H new ATOM 0 HE21 GLN B 26 -4.095 13.730 4.714 1.00 0.46 H new ATOM 0 HE22 GLN B 26 -2.714 14.744 4.282 1.00 0.46 H new ATOM 1365 N CYS B 27 -7.770 11.594 3.631 1.00 0.46 N ATOM 1366 CA CYS B 27 -9.123 12.178 3.401 1.00 0.53 C ATOM 1367 C CYS B 27 -9.029 13.686 3.196 1.00 0.59 C ATOM 1368 O CYS B 27 -8.229 14.358 3.815 1.00 0.87 O ATOM 1369 CB CYS B 27 -9.910 11.881 4.669 1.00 0.76 C ATOM 1370 SG CYS B 27 -11.645 12.288 4.376 1.00 0.81 S ATOM 0 H CYS B 27 -7.452 11.607 4.600 1.00 0.46 H new ATOM 0 HA CYS B 27 -9.594 11.759 2.512 1.00 0.53 H new ATOM 0 HB2 CYS B 27 -9.808 10.830 4.941 1.00 0.76 H new ATOM 0 HB3 CYS B 27 -9.520 12.465 5.503 1.00 0.76 H new ATOM 1375 N ASP B 28 -9.846 14.231 2.342 1.00 0.44 N ATOM 1376 CA ASP B 28 -9.793 15.700 2.126 1.00 0.64 C ATOM 1377 C ASP B 28 -11.174 16.321 2.349 1.00 0.58 C ATOM 1378 O ASP B 28 -12.048 16.239 1.509 1.00 0.71 O ATOM 1379 CB ASP B 28 -9.343 15.886 0.679 1.00 0.75 C ATOM 1380 CG ASP B 28 -8.928 17.343 0.467 1.00 1.08 C ATOM 1381 OD1 ASP B 28 -8.953 18.091 1.431 1.00 1.32 O ATOM 1382 OD2 ASP B 28 -8.596 17.688 -0.655 1.00 1.23 O ATOM 0 H ASP B 28 -10.541 13.729 1.790 1.00 0.44 H new ATOM 0 HA ASP B 28 -9.111 16.189 2.822 1.00 0.64 H new ATOM 0 HB2 ASP B 28 -8.508 15.221 0.456 1.00 0.75 H new ATOM 0 HB3 ASP B 28 -10.151 15.622 -0.003 1.00 0.75 H new ATOM 1387 N LYS B 29 -11.367 16.950 3.476 1.00 0.43 N ATOM 1388 CA LYS B 29 -12.680 17.596 3.769 1.00 0.35 C ATOM 1389 C LYS B 29 -13.826 16.587 3.683 1.00 0.22 C ATOM 1390 O LYS B 29 -14.487 16.472 2.670 1.00 0.30 O ATOM 1391 CB LYS B 29 -12.843 18.666 2.691 1.00 0.43 C ATOM 1392 CG LYS B 29 -13.196 20.001 3.347 1.00 0.51 C ATOM 1393 CD LYS B 29 -12.510 21.138 2.590 1.00 0.62 C ATOM 1394 CE LYS B 29 -13.139 22.472 3.000 1.00 0.69 C ATOM 1395 NZ LYS B 29 -14.386 22.572 2.191 1.00 0.91 N ATOM 0 H LYS B 29 -10.667 17.045 4.212 1.00 0.43 H new ATOM 0 HA LYS B 29 -12.705 18.009 4.778 1.00 0.35 H new ATOM 0 HB2 LYS B 29 -11.921 18.763 2.118 1.00 0.43 H new ATOM 0 HB3 LYS B 29 -13.625 18.375 1.990 1.00 0.43 H new ATOM 0 HG2 LYS B 29 -14.276 20.146 3.342 1.00 0.51 H new ATOM 0 HG3 LYS B 29 -12.879 20.001 4.390 1.00 0.51 H new ATOM 0 HD2 LYS B 29 -11.442 21.144 2.809 1.00 0.62 H new ATOM 0 HD3 LYS B 29 -12.614 20.989 1.515 1.00 0.62 H new ATOM 0 HE2 LYS B 29 -13.358 22.494 4.068 1.00 0.69 H new ATOM 0 HE3 LYS B 29 -12.467 23.305 2.795 1.00 0.69 H new ATOM 0 HZ1 LYS B 29 -14.618 23.573 2.033 1.00 0.91 H new ATOM 0 HZ2 LYS B 29 -14.244 22.101 1.275 1.00 0.91 H new ATOM 0 HZ3 LYS B 29 -15.168 22.112 2.700 1.00 0.91 H new ATOM 1409 N PHE B 30 -14.081 15.866 4.739 1.00 0.19 N ATOM 1410 CA PHE B 30 -15.199 14.880 4.710 1.00 0.25 C ATOM 1411 C PHE B 30 -14.982 13.867 3.585 1.00 0.37 C ATOM 1412 O PHE B 30 -15.347 14.097 2.456 1.00 0.54 O ATOM 1413 CB PHE B 30 -16.459 15.709 4.434 1.00 0.37 C ATOM 1414 CG PHE B 30 -16.409 17.009 5.205 1.00 0.39 C ATOM 1415 CD1 PHE B 30 -16.779 17.039 6.554 1.00 0.49 C ATOM 1416 CD2 PHE B 30 -16.001 18.185 4.564 1.00 0.54 C ATOM 1417 CE1 PHE B 30 -16.740 18.246 7.264 1.00 0.60 C ATOM 1418 CE2 PHE B 30 -15.964 19.393 5.272 1.00 0.71 C ATOM 1419 CZ PHE B 30 -16.334 19.423 6.622 1.00 0.69 C ATOM 0 H PHE B 30 -13.566 15.916 5.618 1.00 0.19 H new ATOM 0 HA PHE B 30 -15.272 14.319 5.642 1.00 0.25 H new ATOM 0 HB2 PHE B 30 -16.542 15.914 3.367 1.00 0.37 H new ATOM 0 HB3 PHE B 30 -17.345 15.143 4.719 1.00 0.37 H new ATOM 0 HD1 PHE B 30 -17.095 16.132 7.048 1.00 0.49 H new ATOM 0 HD2 PHE B 30 -15.715 18.161 3.523 1.00 0.54 H new ATOM 0 HE1 PHE B 30 -17.023 18.269 8.306 1.00 0.60 H new ATOM 0 HE2 PHE B 30 -15.650 20.300 4.777 1.00 0.71 H new ATOM 0 HZ PHE B 30 -16.306 20.354 7.169 1.00 0.69 H new ATOM 1429 N CYS B 31 -14.382 12.751 3.877 1.00 0.39 N ATOM 1430 CA CYS B 31 -14.140 11.740 2.816 1.00 0.51 C ATOM 1431 C CYS B 31 -15.375 11.606 1.914 1.00 0.69 C ATOM 1432 O CYS B 31 -16.488 11.822 2.344 1.00 0.71 O ATOM 1433 CB CYS B 31 -13.906 10.415 3.549 1.00 0.52 C ATOM 1434 SG CYS B 31 -12.625 10.582 4.823 1.00 0.62 S ATOM 0 H CYS B 31 -14.048 12.495 4.806 1.00 0.39 H new ATOM 0 HA CYS B 31 -13.295 12.022 2.188 1.00 0.51 H new ATOM 0 HB2 CYS B 31 -14.837 10.082 4.008 1.00 0.52 H new ATOM 0 HB3 CYS B 31 -13.611 9.648 2.833 1.00 0.52 H new ATOM 1439 N SER B 32 -15.183 11.232 0.676 1.00 0.88 N ATOM 1440 CA SER B 32 -16.340 11.053 -0.260 1.00 1.07 C ATOM 1441 C SER B 32 -17.093 12.367 -0.510 1.00 1.12 C ATOM 1442 O SER B 32 -18.288 12.365 -0.735 1.00 1.31 O ATOM 1443 CB SER B 32 -17.260 10.051 0.435 1.00 1.21 C ATOM 1444 OG SER B 32 -16.506 8.915 0.833 1.00 1.22 O ATOM 0 H SER B 32 -14.268 11.041 0.267 1.00 0.88 H new ATOM 0 HA SER B 32 -15.998 10.712 -1.237 1.00 1.07 H new ATOM 0 HB2 SER B 32 -17.728 10.513 1.304 1.00 1.21 H new ATOM 0 HB3 SER B 32 -18.063 9.751 -0.238 1.00 1.21 H new ATOM 0 HG SER B 32 -17.095 8.272 1.281 1.00 1.22 H new ATOM 1450 N ILE B 33 -16.422 13.484 -0.498 1.00 0.98 N ATOM 1451 CA ILE B 33 -17.136 14.769 -0.765 1.00 1.04 C ATOM 1452 C ILE B 33 -16.495 15.470 -1.965 1.00 1.12 C ATOM 1453 O ILE B 33 -17.174 16.028 -2.802 1.00 1.29 O ATOM 1454 CB ILE B 33 -16.989 15.607 0.517 1.00 0.88 C ATOM 1455 CG1 ILE B 33 -18.228 15.409 1.398 1.00 0.92 C ATOM 1456 CG2 ILE B 33 -16.865 17.099 0.176 1.00 0.89 C ATOM 1457 CD1 ILE B 33 -18.149 14.065 2.122 1.00 1.08 C ATOM 0 H ILE B 33 -15.421 13.566 -0.317 1.00 0.98 H new ATOM 0 HA ILE B 33 -18.188 14.618 -1.007 1.00 1.04 H new ATOM 0 HB ILE B 33 -16.091 15.282 1.042 1.00 0.88 H new ATOM 0 HG12 ILE B 33 -18.300 16.218 2.124 1.00 0.92 H new ATOM 0 HG13 ILE B 33 -19.129 15.449 0.786 1.00 0.92 H new ATOM 0 HG21 ILE B 33 -16.762 17.675 1.096 1.00 0.89 H new ATOM 0 HG22 ILE B 33 -15.988 17.257 -0.451 1.00 0.89 H new ATOM 0 HG23 ILE B 33 -17.757 17.425 -0.359 1.00 0.89 H new ATOM 0 HD11 ILE B 33 -19.034 13.935 2.745 1.00 1.08 H new ATOM 0 HD12 ILE B 33 -18.099 13.259 1.389 1.00 1.08 H new ATOM 0 HD13 ILE B 33 -17.258 14.041 2.749 1.00 1.08 H new ATOM 1469 N ARG B 34 -15.194 15.455 -2.048 1.00 1.02 N ATOM 1470 CA ARG B 34 -14.525 16.122 -3.176 1.00 1.15 C ATOM 1471 C ARG B 34 -13.609 15.151 -3.926 1.00 1.11 C ATOM 1472 O ARG B 34 -13.138 15.441 -5.007 1.00 1.30 O ATOM 1473 CB ARG B 34 -13.723 17.261 -2.545 1.00 1.11 C ATOM 1474 CG ARG B 34 -12.435 16.712 -1.929 1.00 0.84 C ATOM 1475 CD ARG B 34 -11.774 17.793 -1.066 1.00 0.69 C ATOM 1476 NE ARG B 34 -11.986 19.072 -1.801 1.00 0.91 N ATOM 1477 CZ ARG B 34 -10.985 19.655 -2.400 1.00 1.01 C ATOM 1478 NH1 ARG B 34 -10.661 19.306 -3.615 1.00 1.04 N ATOM 1479 NH2 ARG B 34 -10.305 20.581 -1.780 1.00 1.20 N ATOM 0 H ARG B 34 -14.572 15.006 -1.376 1.00 1.02 H new ATOM 0 HA ARG B 34 -15.239 16.488 -3.913 1.00 1.15 H new ATOM 0 HB2 ARG B 34 -13.485 18.011 -3.299 1.00 1.11 H new ATOM 0 HB3 ARG B 34 -14.320 17.757 -1.780 1.00 1.11 H new ATOM 0 HG2 ARG B 34 -12.656 15.834 -1.323 1.00 0.84 H new ATOM 0 HG3 ARG B 34 -11.751 16.393 -2.716 1.00 0.84 H new ATOM 0 HD2 ARG B 34 -12.222 17.832 -0.073 1.00 0.69 H new ATOM 0 HD3 ARG B 34 -10.712 17.591 -0.928 1.00 0.69 H new ATOM 0 HE ARG B 34 -12.915 19.492 -1.836 1.00 0.91 H new ATOM 0 HH11 ARG B 34 -11.190 18.578 -4.095 1.00 1.04 H new ATOM 0 HH12 ARG B 34 -9.878 19.761 -4.085 1.00 1.04 H new ATOM 0 HH21 ARG B 34 -10.557 20.848 -0.828 1.00 1.20 H new ATOM 0 HH22 ARG B 34 -9.522 21.038 -2.247 1.00 1.20 H new ATOM 1493 N GLY B 35 -13.352 14.001 -3.366 1.00 0.90 N ATOM 1494 CA GLY B 35 -12.467 13.030 -4.065 1.00 0.86 C ATOM 1495 C GLY B 35 -11.191 12.820 -3.246 1.00 0.67 C ATOM 1496 O GLY B 35 -10.498 13.765 -2.927 1.00 0.62 O ATOM 0 H GLY B 35 -13.713 13.694 -2.463 1.00 0.90 H new ATOM 0 HA2 GLY B 35 -12.986 12.081 -4.200 1.00 0.86 H new ATOM 0 HA3 GLY B 35 -12.217 13.400 -5.059 1.00 0.86 H new ATOM 1500 N PRO B 36 -10.918 11.583 -2.938 1.00 0.65 N ATOM 1501 CA PRO B 36 -9.704 11.247 -2.154 1.00 0.52 C ATOM 1502 C PRO B 36 -8.454 11.500 -2.998 1.00 0.46 C ATOM 1503 O PRO B 36 -8.510 11.536 -4.211 1.00 0.52 O ATOM 1504 CB PRO B 36 -9.878 9.763 -1.843 1.00 0.61 C ATOM 1505 CG PRO B 36 -10.784 9.252 -2.916 1.00 0.74 C ATOM 1506 CD PRO B 36 -11.696 10.391 -3.286 1.00 0.82 C ATOM 0 HA PRO B 36 -9.586 11.845 -1.251 1.00 0.52 H new ATOM 0 HB2 PRO B 36 -8.921 9.242 -1.852 1.00 0.61 H new ATOM 0 HB3 PRO B 36 -10.312 9.614 -0.854 1.00 0.61 H new ATOM 0 HG2 PRO B 36 -10.211 8.918 -3.781 1.00 0.74 H new ATOM 0 HG3 PRO B 36 -11.358 8.395 -2.563 1.00 0.74 H new ATOM 0 HD2 PRO B 36 -11.950 10.373 -4.346 1.00 0.82 H new ATOM 0 HD3 PRO B 36 -12.634 10.349 -2.733 1.00 0.82 H new ATOM 1514 N VAL B 37 -7.331 11.698 -2.368 1.00 0.41 N ATOM 1515 CA VAL B 37 -6.092 11.976 -3.139 1.00 0.40 C ATOM 1516 C VAL B 37 -5.052 10.891 -2.907 1.00 0.39 C ATOM 1517 O VAL B 37 -5.164 10.075 -2.014 1.00 0.42 O ATOM 1518 CB VAL B 37 -5.609 13.318 -2.592 1.00 0.38 C ATOM 1519 CG1 VAL B 37 -4.887 13.108 -1.256 1.00 0.45 C ATOM 1520 CG2 VAL B 37 -4.650 13.966 -3.592 1.00 0.47 C ATOM 0 H VAL B 37 -7.219 11.679 -1.354 1.00 0.41 H new ATOM 0 HA VAL B 37 -6.265 11.999 -4.215 1.00 0.40 H new ATOM 0 HB VAL B 37 -6.469 13.969 -2.437 1.00 0.38 H new ATOM 0 HG11 VAL B 37 -4.545 14.069 -0.872 1.00 0.45 H new ATOM 0 HG12 VAL B 37 -5.572 12.654 -0.540 1.00 0.45 H new ATOM 0 HG13 VAL B 37 -4.030 12.451 -1.405 1.00 0.45 H new ATOM 0 HG21 VAL B 37 -4.307 14.923 -3.199 1.00 0.47 H new ATOM 0 HG22 VAL B 37 -3.793 13.311 -3.751 1.00 0.47 H new ATOM 0 HG23 VAL B 37 -5.165 14.126 -4.539 1.00 0.47 H new ATOM 1530 N ILE B 38 -4.051 10.872 -3.731 1.00 0.39 N ATOM 1531 CA ILE B 38 -3.001 9.841 -3.603 1.00 0.38 C ATOM 1532 C ILE B 38 -1.669 10.401 -4.119 1.00 0.33 C ATOM 1533 O ILE B 38 -1.549 10.777 -5.269 1.00 0.41 O ATOM 1534 CB ILE B 38 -3.538 8.706 -4.477 1.00 0.44 C ATOM 1535 CG1 ILE B 38 -4.238 7.675 -3.589 1.00 0.40 C ATOM 1536 CG2 ILE B 38 -2.402 8.025 -5.249 1.00 0.57 C ATOM 1537 CD1 ILE B 38 -5.727 7.629 -3.935 1.00 0.41 C ATOM 0 H ILE B 38 -3.916 11.534 -4.495 1.00 0.39 H new ATOM 0 HA ILE B 38 -2.802 9.512 -2.583 1.00 0.38 H new ATOM 0 HB ILE B 38 -4.242 9.124 -5.196 1.00 0.44 H new ATOM 0 HG12 ILE B 38 -3.790 6.692 -3.733 1.00 0.40 H new ATOM 0 HG13 ILE B 38 -4.106 7.935 -2.539 1.00 0.40 H new ATOM 0 HG21 ILE B 38 -2.810 7.222 -5.863 1.00 0.57 H new ATOM 0 HG22 ILE B 38 -1.908 8.756 -5.889 1.00 0.57 H new ATOM 0 HG23 ILE B 38 -1.680 7.612 -4.545 1.00 0.57 H new ATOM 0 HD11 ILE B 38 -6.225 6.894 -3.302 1.00 0.41 H new ATOM 0 HD12 ILE B 38 -6.170 8.611 -3.769 1.00 0.41 H new ATOM 0 HD13 ILE B 38 -5.849 7.349 -4.981 1.00 0.41 H new ATOM 1549 N GLU B 39 -0.674 10.470 -3.279 1.00 0.26 N ATOM 1550 CA GLU B 39 0.636 11.018 -3.731 1.00 0.25 C ATOM 1551 C GLU B 39 1.748 9.982 -3.559 1.00 0.23 C ATOM 1552 O GLU B 39 1.769 9.227 -2.608 1.00 0.36 O ATOM 1553 CB GLU B 39 0.889 12.225 -2.828 1.00 0.29 C ATOM 1554 CG GLU B 39 -0.232 13.246 -3.021 1.00 0.39 C ATOM 1555 CD GLU B 39 0.353 14.532 -3.602 1.00 0.41 C ATOM 1556 OE1 GLU B 39 1.379 14.968 -3.107 1.00 0.51 O ATOM 1557 OE2 GLU B 39 -0.232 15.059 -4.533 1.00 0.48 O ATOM 0 H GLU B 39 -0.710 10.172 -2.304 1.00 0.26 H new ATOM 0 HA GLU B 39 0.622 11.286 -4.787 1.00 0.25 H new ATOM 0 HB2 GLU B 39 0.934 11.910 -1.785 1.00 0.29 H new ATOM 0 HB3 GLU B 39 1.852 12.676 -3.066 1.00 0.29 H new ATOM 0 HG2 GLU B 39 -0.994 12.845 -3.689 1.00 0.39 H new ATOM 0 HG3 GLU B 39 -0.720 13.452 -2.068 1.00 0.39 H new ATOM 1564 N GLN B 40 2.678 9.953 -4.472 1.00 0.24 N ATOM 1565 CA GLN B 40 3.801 8.981 -4.367 1.00 0.30 C ATOM 1566 C GLN B 40 5.130 9.736 -4.300 1.00 0.37 C ATOM 1567 O GLN B 40 5.315 10.738 -4.963 1.00 0.53 O ATOM 1568 CB GLN B 40 3.718 8.141 -5.641 1.00 0.35 C ATOM 1569 CG GLN B 40 2.425 7.327 -5.623 1.00 0.48 C ATOM 1570 CD GLN B 40 2.060 6.916 -7.051 1.00 0.40 C ATOM 1571 OE1 GLN B 40 1.718 5.681 -7.295 1.00 0.47 O flip ATOM 1572 NE2 GLN B 40 2.081 7.730 -7.953 1.00 0.54 N flip ATOM 0 H GLN B 40 2.709 10.563 -5.289 1.00 0.24 H new ATOM 0 HA GLN B 40 3.739 8.361 -3.473 1.00 0.30 H new ATOM 0 HB2 GLN B 40 3.743 8.787 -6.519 1.00 0.35 H new ATOM 0 HB3 GLN B 40 4.579 7.476 -5.709 1.00 0.35 H new ATOM 0 HG2 GLN B 40 2.549 6.442 -4.999 1.00 0.48 H new ATOM 0 HG3 GLN B 40 1.619 7.915 -5.185 1.00 0.48 H new ATOM 0 HE21 GLN B 40 2.348 8.696 -7.762 1.00 0.54 H new ATOM 0 HE22 GLN B 40 1.831 7.448 -8.901 1.00 0.54 H new ATOM 1581 N GLY B 41 6.057 9.272 -3.504 1.00 0.36 N ATOM 1582 CA GLY B 41 7.365 9.981 -3.403 1.00 0.43 C ATOM 1583 C GLY B 41 8.360 9.141 -2.601 1.00 0.32 C ATOM 1584 O GLY B 41 8.130 7.983 -2.317 1.00 0.36 O ATOM 0 H GLY B 41 5.966 8.438 -2.923 1.00 0.36 H new ATOM 0 HA2 GLY B 41 7.761 10.173 -4.400 1.00 0.43 H new ATOM 0 HA3 GLY B 41 7.226 10.950 -2.923 1.00 0.43 H new ATOM 1588 N CYS B 42 9.470 9.724 -2.237 1.00 0.30 N ATOM 1589 CA CYS B 42 10.496 8.972 -1.461 1.00 0.30 C ATOM 1590 C CYS B 42 10.716 9.631 -0.100 1.00 0.36 C ATOM 1591 O CYS B 42 10.996 10.810 -0.007 1.00 0.57 O ATOM 1592 CB CYS B 42 11.763 9.070 -2.311 1.00 0.40 C ATOM 1593 SG CYS B 42 13.035 7.964 -1.654 1.00 0.44 S ATOM 0 H CYS B 42 9.711 10.693 -2.445 1.00 0.30 H new ATOM 0 HA CYS B 42 10.203 7.940 -1.269 1.00 0.30 H new ATOM 0 HB2 CYS B 42 11.539 8.807 -3.345 1.00 0.40 H new ATOM 0 HB3 CYS B 42 12.129 10.097 -2.316 1.00 0.40 H new ATOM 1598 N VAL B 43 10.584 8.881 0.959 1.00 0.32 N ATOM 1599 CA VAL B 43 10.780 9.468 2.315 1.00 0.43 C ATOM 1600 C VAL B 43 11.537 8.490 3.221 1.00 0.38 C ATOM 1601 O VAL B 43 11.811 7.367 2.848 1.00 0.61 O ATOM 1602 CB VAL B 43 9.367 9.703 2.843 1.00 0.60 C ATOM 1603 CG1 VAL B 43 9.434 10.447 4.177 1.00 0.73 C ATOM 1604 CG2 VAL B 43 8.586 10.544 1.832 1.00 0.69 C ATOM 0 H VAL B 43 10.349 7.888 0.945 1.00 0.32 H new ATOM 0 HA VAL B 43 11.368 10.385 2.287 1.00 0.43 H new ATOM 0 HB VAL B 43 8.869 8.745 2.989 1.00 0.60 H new ATOM 0 HG11 VAL B 43 8.424 10.614 4.552 1.00 0.73 H new ATOM 0 HG12 VAL B 43 9.995 9.852 4.898 1.00 0.73 H new ATOM 0 HG13 VAL B 43 9.931 11.407 4.034 1.00 0.73 H new ATOM 0 HG21 VAL B 43 7.576 10.715 2.204 1.00 0.69 H new ATOM 0 HG22 VAL B 43 9.087 11.501 1.691 1.00 0.69 H new ATOM 0 HG23 VAL B 43 8.537 10.016 0.880 1.00 0.69 H new ATOM 1614 N ALA B 44 11.876 8.911 4.411 1.00 0.50 N ATOM 1615 CA ALA B 44 12.612 8.007 5.341 1.00 0.59 C ATOM 1616 C ALA B 44 11.913 6.651 5.408 1.00 0.40 C ATOM 1617 O ALA B 44 12.239 5.736 4.679 1.00 0.58 O ATOM 1618 CB ALA B 44 12.557 8.702 6.702 1.00 0.79 C ATOM 0 H ALA B 44 11.675 9.841 4.778 1.00 0.50 H new ATOM 0 HA ALA B 44 13.638 7.828 5.019 1.00 0.59 H new ATOM 0 HB1 ALA B 44 13.079 8.095 7.442 1.00 0.79 H new ATOM 0 HB2 ALA B 44 13.035 9.679 6.631 1.00 0.79 H new ATOM 0 HB3 ALA B 44 11.517 8.828 7.005 1.00 0.79 H new ATOM 1624 N THR B 45 10.950 6.516 6.274 1.00 0.22 N ATOM 1625 CA THR B 45 10.228 5.218 6.378 1.00 0.26 C ATOM 1626 C THR B 45 8.722 5.467 6.504 1.00 0.24 C ATOM 1627 O THR B 45 8.289 6.472 7.032 1.00 0.28 O ATOM 1628 CB THR B 45 10.781 4.548 7.641 1.00 0.44 C ATOM 1629 OG1 THR B 45 10.365 3.190 7.677 1.00 0.74 O ATOM 1630 CG2 THR B 45 10.254 5.267 8.882 1.00 0.63 C ATOM 0 H THR B 45 10.632 7.245 6.913 1.00 0.22 H new ATOM 0 HA THR B 45 10.373 4.590 5.499 1.00 0.26 H new ATOM 0 HB THR B 45 11.870 4.601 7.626 1.00 0.44 H new ATOM 0 HG1 THR B 45 10.720 2.761 8.483 1.00 0.74 H new ATOM 0 HG21 THR B 45 10.650 4.787 9.777 1.00 0.63 H new ATOM 0 HG22 THR B 45 10.570 6.310 8.860 1.00 0.63 H new ATOM 0 HG23 THR B 45 9.165 5.218 8.896 1.00 0.63 H new ATOM 1638 N CYS B 46 7.921 4.558 6.022 1.00 0.24 N ATOM 1639 CA CYS B 46 6.445 4.737 6.114 1.00 0.24 C ATOM 1640 C CYS B 46 5.988 4.493 7.554 1.00 0.23 C ATOM 1641 O CYS B 46 6.473 3.595 8.213 1.00 0.25 O ATOM 1642 CB CYS B 46 5.866 3.678 5.174 1.00 0.28 C ATOM 1643 SG CYS B 46 4.089 3.952 4.959 1.00 0.29 S ATOM 0 H CYS B 46 8.225 3.697 5.567 1.00 0.24 H new ATOM 0 HA CYS B 46 6.121 5.741 5.840 1.00 0.24 H new ATOM 0 HB2 CYS B 46 6.369 3.722 4.208 1.00 0.28 H new ATOM 0 HB3 CYS B 46 6.043 2.682 5.581 1.00 0.28 H new ATOM 1648 N PRO B 47 5.070 5.306 8.001 1.00 0.24 N ATOM 1649 CA PRO B 47 4.554 5.170 9.382 1.00 0.26 C ATOM 1650 C PRO B 47 3.692 3.911 9.493 1.00 0.23 C ATOM 1651 O PRO B 47 3.383 3.272 8.507 1.00 0.25 O ATOM 1652 CB PRO B 47 3.732 6.439 9.587 1.00 0.33 C ATOM 1653 CG PRO B 47 3.340 6.872 8.210 1.00 0.34 C ATOM 1654 CD PRO B 47 4.427 6.405 7.273 1.00 0.27 C ATOM 0 HA PRO B 47 5.335 5.066 10.135 1.00 0.26 H new ATOM 0 HB2 PRO B 47 2.855 6.246 10.205 1.00 0.33 H new ATOM 0 HB3 PRO B 47 4.314 7.209 10.092 1.00 0.33 H new ATOM 0 HG2 PRO B 47 2.379 6.442 7.930 1.00 0.34 H new ATOM 0 HG3 PRO B 47 3.230 7.955 8.163 1.00 0.34 H new ATOM 0 HD2 PRO B 47 4.017 6.068 6.321 1.00 0.27 H new ATOM 0 HD3 PRO B 47 5.134 7.204 7.050 1.00 0.27 H new ATOM 1662 N GLN B 48 3.321 3.533 10.683 1.00 0.23 N ATOM 1663 CA GLN B 48 2.510 2.307 10.864 1.00 0.24 C ATOM 1664 C GLN B 48 1.104 2.455 10.276 1.00 0.24 C ATOM 1665 O GLN B 48 0.115 2.191 10.928 1.00 0.34 O ATOM 1666 CB GLN B 48 2.449 2.110 12.373 1.00 0.29 C ATOM 1667 CG GLN B 48 1.924 3.388 13.023 1.00 0.35 C ATOM 1668 CD GLN B 48 1.032 3.019 14.207 1.00 0.48 C ATOM 1669 OE1 GLN B 48 1.420 3.177 15.348 1.00 0.56 O ATOM 1670 NE2 GLN B 48 -0.157 2.532 13.983 1.00 0.59 N ATOM 0 H GLN B 48 3.549 4.029 11.545 1.00 0.23 H new ATOM 0 HA GLN B 48 2.950 1.455 10.345 1.00 0.24 H new ATOM 0 HB2 GLN B 48 1.799 1.270 12.617 1.00 0.29 H new ATOM 0 HB3 GLN B 48 3.439 1.870 12.761 1.00 0.29 H new ATOM 0 HG2 GLN B 48 2.756 4.008 13.358 1.00 0.35 H new ATOM 0 HG3 GLN B 48 1.361 3.975 12.297 1.00 0.35 H new ATOM 0 HE21 GLN B 48 -0.482 2.400 13.025 1.00 0.59 H new ATOM 0 HE22 GLN B 48 -0.762 2.283 14.766 1.00 0.59 H new ATOM 1679 N PHE B 49 1.029 2.844 9.038 1.00 0.22 N ATOM 1680 CA PHE B 49 -0.287 3.001 8.339 1.00 0.23 C ATOM 1681 C PHE B 49 -1.408 3.450 9.284 1.00 0.26 C ATOM 1682 O PHE B 49 -1.171 3.979 10.352 1.00 0.35 O ATOM 1683 CB PHE B 49 -0.582 1.620 7.757 1.00 0.24 C ATOM 1684 CG PHE B 49 0.089 1.519 6.414 1.00 0.22 C ATOM 1685 CD1 PHE B 49 1.480 1.623 6.325 1.00 0.24 C ATOM 1686 CD2 PHE B 49 -0.674 1.340 5.257 1.00 0.22 C ATOM 1687 CE1 PHE B 49 2.109 1.548 5.083 1.00 0.23 C ATOM 1688 CE2 PHE B 49 -0.043 1.263 4.010 1.00 0.21 C ATOM 1689 CZ PHE B 49 1.348 1.368 3.923 1.00 0.21 C ATOM 0 H PHE B 49 1.841 3.067 8.462 1.00 0.22 H new ATOM 0 HA PHE B 49 -0.237 3.779 7.577 1.00 0.23 H new ATOM 0 HB2 PHE B 49 -0.215 0.841 8.424 1.00 0.24 H new ATOM 0 HB3 PHE B 49 -1.657 1.472 7.656 1.00 0.24 H new ATOM 0 HD1 PHE B 49 2.069 1.762 7.220 1.00 0.24 H new ATOM 0 HD2 PHE B 49 -1.749 1.261 5.325 1.00 0.22 H new ATOM 0 HE1 PHE B 49 3.184 1.629 5.016 1.00 0.23 H new ATOM 0 HE2 PHE B 49 -0.631 1.122 3.115 1.00 0.21 H new ATOM 0 HZ PHE B 49 1.835 1.310 2.961 1.00 0.21 H new ATOM 1699 N ARG B 50 -2.639 3.270 8.874 1.00 0.28 N ATOM 1700 CA ARG B 50 -3.782 3.705 9.725 1.00 0.33 C ATOM 1701 C ARG B 50 -4.975 2.759 9.558 1.00 0.38 C ATOM 1702 O ARG B 50 -5.167 2.156 8.521 1.00 0.41 O ATOM 1703 CB ARG B 50 -4.142 5.096 9.204 1.00 0.29 C ATOM 1704 CG ARG B 50 -3.038 6.088 9.574 1.00 0.35 C ATOM 1705 CD ARG B 50 -3.058 6.327 11.084 1.00 0.45 C ATOM 1706 NE ARG B 50 -4.212 7.244 11.307 1.00 0.62 N ATOM 1707 CZ ARG B 50 -5.121 6.955 12.199 1.00 0.86 C ATOM 1708 NH1 ARG B 50 -5.542 5.724 12.330 1.00 1.19 N ATOM 1709 NH2 ARG B 50 -5.608 7.902 12.958 1.00 0.99 N ATOM 0 H ARG B 50 -2.899 2.840 7.986 1.00 0.28 H new ATOM 0 HA ARG B 50 -3.525 3.704 10.784 1.00 0.33 H new ATOM 0 HB2 ARG B 50 -4.271 5.067 8.122 1.00 0.29 H new ATOM 0 HB3 ARG B 50 -5.092 5.419 9.629 1.00 0.29 H new ATOM 0 HG2 ARG B 50 -2.067 5.699 9.269 1.00 0.35 H new ATOM 0 HG3 ARG B 50 -3.186 7.029 9.043 1.00 0.35 H new ATOM 0 HD2 ARG B 50 -3.183 5.393 11.631 1.00 0.45 H new ATOM 0 HD3 ARG B 50 -2.125 6.774 11.426 1.00 0.45 H new ATOM 0 HE ARG B 50 -4.292 8.101 10.760 1.00 0.62 H new ATOM 0 HH11 ARG B 50 -5.160 4.988 11.735 1.00 1.19 H new ATOM 0 HH12 ARG B 50 -6.252 5.499 13.027 1.00 1.19 H new ATOM 0 HH21 ARG B 50 -5.278 8.861 12.852 1.00 0.99 H new ATOM 0 HH22 ARG B 50 -6.318 7.681 13.656 1.00 0.99 H new ATOM 1723 N SER B 51 -5.787 2.639 10.569 1.00 0.43 N ATOM 1724 CA SER B 51 -6.978 1.749 10.474 1.00 0.50 C ATOM 1725 C SER B 51 -8.058 2.392 9.604 1.00 0.48 C ATOM 1726 O SER B 51 -9.034 1.761 9.246 1.00 0.59 O ATOM 1727 CB SER B 51 -7.478 1.630 11.912 1.00 0.57 C ATOM 1728 OG SER B 51 -6.483 1.002 12.709 1.00 0.64 O ATOM 0 H SER B 51 -5.677 3.121 11.461 1.00 0.43 H new ATOM 0 HA SER B 51 -6.737 0.785 10.026 1.00 0.50 H new ATOM 0 HB2 SER B 51 -7.709 2.618 12.311 1.00 0.57 H new ATOM 0 HB3 SER B 51 -8.401 1.051 11.941 1.00 0.57 H new ATOM 0 HG SER B 51 -6.803 0.927 13.632 1.00 0.64 H new ATOM 1734 N ASN B 52 -7.916 3.650 9.284 1.00 0.45 N ATOM 1735 CA ASN B 52 -8.968 4.322 8.470 1.00 0.44 C ATOM 1736 C ASN B 52 -8.371 5.274 7.421 1.00 0.44 C ATOM 1737 O ASN B 52 -8.439 6.478 7.565 1.00 0.52 O ATOM 1738 CB ASN B 52 -9.781 5.108 9.497 1.00 0.45 C ATOM 1739 CG ASN B 52 -10.970 5.779 8.811 1.00 0.50 C ATOM 1740 OD1 ASN B 52 -12.128 5.180 8.807 1.00 0.55 O flip ATOM 1741 ND2 ASN B 52 -10.843 6.861 8.273 1.00 0.65 N flip ATOM 0 H ASN B 52 -7.125 4.237 9.548 1.00 0.45 H new ATOM 0 HA ASN B 52 -9.560 3.602 7.905 1.00 0.44 H new ATOM 0 HB2 ASN B 52 -10.132 4.441 10.284 1.00 0.45 H new ATOM 0 HB3 ASN B 52 -9.152 5.860 9.974 1.00 0.45 H new ATOM 0 HD21 ASN B 52 -9.937 7.329 8.277 1.00 0.65 H new ATOM 0 HD22 ASN B 52 -11.643 7.301 7.818 1.00 0.65 H new ATOM 1748 N TYR B 53 -7.817 4.760 6.355 1.00 0.39 N ATOM 1749 CA TYR B 53 -7.263 5.664 5.307 1.00 0.41 C ATOM 1750 C TYR B 53 -7.972 5.388 3.981 1.00 0.42 C ATOM 1751 O TYR B 53 -9.068 4.866 3.957 1.00 0.48 O ATOM 1752 CB TYR B 53 -5.771 5.341 5.218 1.00 0.39 C ATOM 1753 CG TYR B 53 -4.982 6.485 5.811 1.00 0.34 C ATOM 1754 CD1 TYR B 53 -5.402 7.073 7.010 1.00 0.34 C ATOM 1755 CD2 TYR B 53 -3.835 6.960 5.162 1.00 0.43 C ATOM 1756 CE1 TYR B 53 -4.674 8.135 7.563 1.00 0.36 C ATOM 1757 CE2 TYR B 53 -3.108 8.023 5.715 1.00 0.41 C ATOM 1758 CZ TYR B 53 -3.528 8.611 6.915 1.00 0.34 C ATOM 1759 OH TYR B 53 -2.812 9.661 7.460 1.00 0.40 O ATOM 0 H TYR B 53 -7.725 3.762 6.166 1.00 0.39 H new ATOM 0 HA TYR B 53 -7.411 6.718 5.542 1.00 0.41 H new ATOM 0 HB2 TYR B 53 -5.554 4.417 5.753 1.00 0.39 H new ATOM 0 HB3 TYR B 53 -5.482 5.183 4.179 1.00 0.39 H new ATOM 0 HD1 TYR B 53 -6.288 6.708 7.509 1.00 0.34 H new ATOM 0 HD2 TYR B 53 -3.511 6.507 4.236 1.00 0.43 H new ATOM 0 HE1 TYR B 53 -4.997 8.586 8.489 1.00 0.36 H new ATOM 0 HE2 TYR B 53 -2.223 8.389 5.215 1.00 0.41 H new ATOM 0 HH TYR B 53 -2.045 9.867 6.886 1.00 0.40 H new ATOM 1769 N ARG B 54 -7.373 5.737 2.878 1.00 0.42 N ATOM 1770 CA ARG B 54 -8.046 5.492 1.571 1.00 0.42 C ATOM 1771 C ARG B 54 -7.212 4.551 0.704 1.00 0.42 C ATOM 1772 O ARG B 54 -7.711 3.966 -0.236 1.00 0.49 O ATOM 1773 CB ARG B 54 -8.144 6.870 0.917 1.00 0.44 C ATOM 1774 CG ARG B 54 -9.591 7.140 0.507 1.00 0.55 C ATOM 1775 CD ARG B 54 -10.290 7.943 1.603 1.00 0.66 C ATOM 1776 NE ARG B 54 -10.748 6.931 2.594 1.00 0.72 N ATOM 1777 CZ ARG B 54 -11.544 7.288 3.562 1.00 0.89 C ATOM 1778 NH1 ARG B 54 -12.835 7.278 3.375 1.00 0.82 N ATOM 1779 NH2 ARG B 54 -11.050 7.659 4.713 1.00 1.36 N ATOM 0 H ARG B 54 -6.455 6.178 2.823 1.00 0.42 H new ATOM 0 HA ARG B 54 -9.022 5.022 1.695 1.00 0.42 H new ATOM 0 HB2 ARG B 54 -7.802 7.638 1.611 1.00 0.44 H new ATOM 0 HB3 ARG B 54 -7.493 6.917 0.044 1.00 0.44 H new ATOM 0 HG2 ARG B 54 -9.617 7.690 -0.434 1.00 0.55 H new ATOM 0 HG3 ARG B 54 -10.115 6.199 0.341 1.00 0.55 H new ATOM 0 HD2 ARG B 54 -9.610 8.662 2.060 1.00 0.66 H new ATOM 0 HD3 ARG B 54 -11.130 8.510 1.201 1.00 0.66 H new ATOM 0 HE ARG B 54 -10.440 5.962 2.516 1.00 0.72 H new ATOM 0 HH11 ARG B 54 -13.218 6.992 2.474 1.00 0.82 H new ATOM 0 HH12 ARG B 54 -13.462 7.557 4.130 1.00 0.82 H new ATOM 0 HH21 ARG B 54 -10.040 7.670 4.855 1.00 1.36 H new ATOM 0 HH22 ARG B 54 -11.674 7.938 5.470 1.00 1.36 H new ATOM 1793 N SER B 55 -5.949 4.399 1.020 1.00 0.36 N ATOM 1794 CA SER B 55 -5.059 3.490 0.222 1.00 0.37 C ATOM 1795 C SER B 55 -3.591 3.855 0.430 1.00 0.31 C ATOM 1796 O SER B 55 -3.108 4.839 -0.091 1.00 0.33 O ATOM 1797 CB SER B 55 -5.426 3.717 -1.248 1.00 0.43 C ATOM 1798 OG SER B 55 -4.334 3.321 -2.066 1.00 0.57 O ATOM 0 H SER B 55 -5.491 4.868 1.801 1.00 0.36 H new ATOM 0 HA SER B 55 -5.194 2.452 0.527 1.00 0.37 H new ATOM 0 HB2 SER B 55 -6.316 3.144 -1.506 1.00 0.43 H new ATOM 0 HB3 SER B 55 -5.662 4.767 -1.419 1.00 0.43 H new ATOM 0 HG SER B 55 -4.563 3.462 -3.008 1.00 0.57 H new ATOM 1804 N LEU B 56 -2.867 3.060 1.158 1.00 0.25 N ATOM 1805 CA LEU B 56 -1.425 3.366 1.362 1.00 0.21 C ATOM 1806 C LEU B 56 -0.567 2.226 0.808 1.00 0.19 C ATOM 1807 O LEU B 56 -0.839 1.062 1.030 1.00 0.24 O ATOM 1808 CB LEU B 56 -1.239 3.497 2.875 1.00 0.27 C ATOM 1809 CG LEU B 56 -1.801 4.833 3.362 1.00 0.25 C ATOM 1810 CD1 LEU B 56 -2.059 4.762 4.867 1.00 0.25 C ATOM 1811 CD2 LEU B 56 -0.788 5.941 3.076 1.00 0.28 C ATOM 0 H LEU B 56 -3.206 2.216 1.619 1.00 0.25 H new ATOM 0 HA LEU B 56 -1.123 4.277 0.846 1.00 0.21 H new ATOM 0 HB2 LEU B 56 -1.743 2.675 3.383 1.00 0.27 H new ATOM 0 HB3 LEU B 56 -0.181 3.426 3.126 1.00 0.27 H new ATOM 0 HG LEU B 56 -2.736 5.045 2.843 1.00 0.25 H new ATOM 0 HD11 LEU B 56 -2.460 5.715 5.213 1.00 0.25 H new ATOM 0 HD12 LEU B 56 -2.777 3.969 5.076 1.00 0.25 H new ATOM 0 HD13 LEU B 56 -1.124 4.551 5.387 1.00 0.25 H new ATOM 0 HD21 LEU B 56 -1.185 6.895 3.422 1.00 0.28 H new ATOM 0 HD22 LEU B 56 0.144 5.725 3.598 1.00 0.28 H new ATOM 0 HD23 LEU B 56 -0.599 5.994 2.004 1.00 0.28 H new ATOM 1823 N LEU B 57 0.468 2.555 0.089 1.00 0.21 N ATOM 1824 CA LEU B 57 1.351 1.498 -0.480 1.00 0.21 C ATOM 1825 C LEU B 57 2.786 1.726 -0.012 1.00 0.22 C ATOM 1826 O LEU B 57 3.516 2.520 -0.572 1.00 0.29 O ATOM 1827 CB LEU B 57 1.243 1.664 -1.998 1.00 0.23 C ATOM 1828 CG LEU B 57 1.883 0.461 -2.693 1.00 0.25 C ATOM 1829 CD1 LEU B 57 1.282 0.303 -4.090 1.00 0.38 C ATOM 1830 CD2 LEU B 57 3.395 0.679 -2.811 1.00 0.29 C ATOM 0 H LEU B 57 0.742 3.513 -0.130 1.00 0.21 H new ATOM 0 HA LEU B 57 1.064 0.495 -0.165 1.00 0.21 H new ATOM 0 HB2 LEU B 57 0.197 1.752 -2.291 1.00 0.23 H new ATOM 0 HB3 LEU B 57 1.739 2.583 -2.310 1.00 0.23 H new ATOM 0 HG LEU B 57 1.692 -0.439 -2.108 1.00 0.25 H new ATOM 0 HD11 LEU B 57 1.737 -0.554 -4.587 1.00 0.38 H new ATOM 0 HD12 LEU B 57 0.207 0.146 -4.008 1.00 0.38 H new ATOM 0 HD13 LEU B 57 1.474 1.204 -4.673 1.00 0.38 H new ATOM 0 HD21 LEU B 57 3.849 -0.179 -3.306 1.00 0.29 H new ATOM 0 HD22 LEU B 57 3.588 1.579 -3.395 1.00 0.29 H new ATOM 0 HD23 LEU B 57 3.825 0.793 -1.816 1.00 0.29 H new ATOM 1842 N CYS B 58 3.194 1.045 1.019 1.00 0.22 N ATOM 1843 CA CYS B 58 4.578 1.233 1.531 1.00 0.23 C ATOM 1844 C CYS B 58 5.360 -0.077 1.444 1.00 0.22 C ATOM 1845 O CYS B 58 4.822 -1.151 1.633 1.00 0.34 O ATOM 1846 CB CYS B 58 4.399 1.647 2.992 1.00 0.31 C ATOM 1847 SG CYS B 58 3.703 3.320 3.074 1.00 0.32 S ATOM 0 H CYS B 58 2.630 0.366 1.530 1.00 0.22 H new ATOM 0 HA CYS B 58 5.134 1.973 0.955 1.00 0.23 H new ATOM 0 HB2 CYS B 58 3.740 0.944 3.501 1.00 0.31 H new ATOM 0 HB3 CYS B 58 5.358 1.616 3.509 1.00 0.31 H new ATOM 1852 N CYS B 59 6.631 0.004 1.177 1.00 0.23 N ATOM 1853 CA CYS B 59 7.454 -1.231 1.103 1.00 0.27 C ATOM 1854 C CYS B 59 8.548 -1.169 2.168 1.00 0.32 C ATOM 1855 O CYS B 59 9.245 -2.131 2.412 1.00 0.38 O ATOM 1856 CB CYS B 59 8.075 -1.226 -0.291 1.00 0.32 C ATOM 1857 SG CYS B 59 6.768 -1.220 -1.541 1.00 0.30 S ATOM 0 H CYS B 59 7.136 0.874 1.007 1.00 0.23 H new ATOM 0 HA CYS B 59 6.867 -2.133 1.275 1.00 0.27 H new ATOM 0 HB2 CYS B 59 8.712 -0.350 -0.413 1.00 0.32 H new ATOM 0 HB3 CYS B 59 8.710 -2.102 -0.420 1.00 0.32 H new ATOM 1862 N THR B 60 8.700 -0.036 2.800 1.00 0.37 N ATOM 1863 CA THR B 60 9.745 0.100 3.850 1.00 0.48 C ATOM 1864 C THR B 60 11.097 -0.407 3.320 1.00 0.43 C ATOM 1865 O THR B 60 11.979 -0.761 4.078 1.00 0.52 O ATOM 1866 CB THR B 60 9.240 -0.753 5.023 1.00 0.59 C ATOM 1867 OG1 THR B 60 9.440 -2.129 4.731 1.00 0.60 O ATOM 1868 CG2 THR B 60 7.744 -0.483 5.248 1.00 0.61 C ATOM 0 H THR B 60 8.143 0.802 2.632 1.00 0.37 H new ATOM 0 HA THR B 60 9.906 1.134 4.154 1.00 0.48 H new ATOM 0 HB THR B 60 9.793 -0.493 5.926 1.00 0.59 H new ATOM 0 HG1 THR B 60 9.149 -2.314 3.814 1.00 0.60 H new ATOM 0 HG21 THR B 60 7.386 -1.089 6.081 1.00 0.61 H new ATOM 0 HG22 THR B 60 7.595 0.572 5.477 1.00 0.61 H new ATOM 0 HG23 THR B 60 7.188 -0.741 4.347 1.00 0.61 H new ATOM 1876 N THR B 61 11.266 -0.435 2.020 1.00 0.35 N ATOM 1877 CA THR B 61 12.561 -0.902 1.429 1.00 0.34 C ATOM 1878 C THR B 61 12.851 -0.143 0.124 1.00 0.38 C ATOM 1879 O THR B 61 11.958 0.394 -0.502 1.00 0.55 O ATOM 1880 CB THR B 61 12.360 -2.396 1.145 1.00 0.30 C ATOM 1881 OG1 THR B 61 11.283 -2.556 0.234 1.00 0.37 O ATOM 1882 CG2 THR B 61 12.051 -3.147 2.442 1.00 0.42 C ATOM 0 H THR B 61 10.560 -0.153 1.340 1.00 0.35 H new ATOM 0 HA THR B 61 13.404 -0.726 2.097 1.00 0.34 H new ATOM 0 HB THR B 61 13.274 -2.804 0.714 1.00 0.30 H new ATOM 0 HG1 THR B 61 10.436 -2.556 0.726 1.00 0.37 H new ATOM 0 HG21 THR B 61 11.911 -4.206 2.225 1.00 0.42 H new ATOM 0 HG22 THR B 61 12.880 -3.026 3.139 1.00 0.42 H new ATOM 0 HG23 THR B 61 11.141 -2.745 2.888 1.00 0.42 H new ATOM 1890 N ASP B 62 14.092 -0.100 -0.295 1.00 0.36 N ATOM 1891 CA ASP B 62 14.439 0.621 -1.562 1.00 0.38 C ATOM 1892 C ASP B 62 14.217 -0.291 -2.773 1.00 0.36 C ATOM 1893 O ASP B 62 14.560 -1.455 -2.747 1.00 0.40 O ATOM 1894 CB ASP B 62 15.927 0.963 -1.431 1.00 0.45 C ATOM 1895 CG ASP B 62 16.377 1.766 -2.656 1.00 0.45 C ATOM 1896 OD1 ASP B 62 15.521 2.316 -3.328 1.00 0.49 O ATOM 1897 OD2 ASP B 62 17.572 1.816 -2.901 1.00 0.51 O ATOM 0 H ASP B 62 14.881 -0.533 0.185 1.00 0.36 H new ATOM 0 HA ASP B 62 13.821 1.507 -1.708 1.00 0.38 H new ATOM 0 HB2 ASP B 62 16.100 1.539 -0.522 1.00 0.45 H new ATOM 0 HB3 ASP B 62 16.515 0.049 -1.346 1.00 0.45 H new ATOM 1902 N ASN B 63 13.655 0.223 -3.837 1.00 0.36 N ATOM 1903 CA ASN B 63 13.433 -0.629 -5.041 1.00 0.34 C ATOM 1904 C ASN B 63 12.362 -1.673 -4.730 1.00 0.35 C ATOM 1905 O ASN B 63 12.545 -2.856 -4.942 1.00 0.40 O ATOM 1906 CB ASN B 63 14.787 -1.296 -5.320 1.00 0.38 C ATOM 1907 CG ASN B 63 15.913 -0.287 -5.076 1.00 0.43 C ATOM 1908 OD1 ASN B 63 15.711 0.971 -5.358 1.00 0.62 O flip ATOM 1909 ND2 ASN B 63 16.980 -0.645 -4.617 1.00 0.41 N flip ATOM 0 H ASN B 63 13.342 1.190 -3.923 1.00 0.36 H new ATOM 0 HA ASN B 63 13.089 -0.059 -5.905 1.00 0.34 H new ATOM 0 HB2 ASN B 63 14.916 -2.165 -4.674 1.00 0.38 H new ATOM 0 HB3 ASN B 63 14.823 -1.655 -6.349 1.00 0.38 H new ATOM 0 HD21 ASN B 63 17.136 -1.629 -4.397 1.00 0.41 H new ATOM 0 HD22 ASN B 63 17.719 0.038 -4.452 1.00 0.41 H new ATOM 1916 N CYS B 64 11.242 -1.236 -4.223 1.00 0.32 N ATOM 1917 CA CYS B 64 10.149 -2.187 -3.885 1.00 0.32 C ATOM 1918 C CYS B 64 9.913 -3.148 -5.049 1.00 0.32 C ATOM 1919 O CYS B 64 9.703 -4.330 -4.861 1.00 0.34 O ATOM 1920 CB CYS B 64 8.923 -1.300 -3.657 1.00 0.37 C ATOM 1921 SG CYS B 64 7.543 -2.305 -3.058 1.00 0.33 S ATOM 0 H CYS B 64 11.037 -0.256 -4.028 1.00 0.32 H new ATOM 0 HA CYS B 64 10.378 -2.799 -3.013 1.00 0.32 H new ATOM 0 HB2 CYS B 64 9.157 -0.519 -2.934 1.00 0.37 H new ATOM 0 HB3 CYS B 64 8.646 -0.801 -4.586 1.00 0.37 H new ATOM 1926 N ASN B 65 9.960 -2.652 -6.253 1.00 0.38 N ATOM 1927 CA ASN B 65 9.750 -3.540 -7.430 1.00 0.42 C ATOM 1928 C ASN B 65 10.976 -3.497 -8.346 1.00 0.38 C ATOM 1929 O ASN B 65 11.240 -2.505 -8.996 1.00 0.39 O ATOM 1930 CB ASN B 65 8.526 -2.972 -8.153 1.00 0.51 C ATOM 1931 CG ASN B 65 7.817 -4.092 -8.921 1.00 0.62 C ATOM 1932 OD1 ASN B 65 8.460 -5.196 -9.189 1.00 0.72 O flip ATOM 1933 ND2 ASN B 65 6.663 -3.961 -9.279 1.00 0.75 N flip ATOM 0 H ASN B 65 10.134 -1.671 -6.473 1.00 0.38 H new ATOM 0 HA ASN B 65 9.601 -4.579 -7.137 1.00 0.42 H new ATOM 0 HB2 ASN B 65 7.842 -2.522 -7.433 1.00 0.51 H new ATOM 0 HB3 ASN B 65 8.831 -2.183 -8.840 1.00 0.51 H new ATOM 0 HD21 ASN B 65 6.159 -3.099 -9.070 1.00 0.75 H new ATOM 0 HD22 ASN B 65 6.198 -4.713 -9.788 1.00 0.75 H new