USER MOD reduce.3.24.130724 H: found=0, std=0, add=636, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 637 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 14 HIS : no HD1:sc= -5.18! C(o=-5.2!,f=-12!) USER MOD Single : A 16 SER OG : rot 154:sc= -0.453 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 GLN : amide:sc=-0.00374 X(o=-0.0037,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN :FLIP amide:sc= -0.621 F(o=-2.7!,f=-0.62) USER MOD Single : A 38 SER OG : rot 54:sc= 0.0509 USER MOD Single : A 41 SER OG : rot 36:sc= 0.359 USER MOD Single : A 46 TYR OH : rot -110:sc= 1.1 USER MOD Single : A 47 LYS NZ :NH3+ -152:sc= -0.0532 (180deg=-0.524) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN :FLIP amide:sc= -1.31 F(o=-3.5!,f=-1.3) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.123 USER MOD Single : A 68 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.00921) USER MOD Single : A 72 GLN : amide:sc= -0.34 K(o=-0.34,f=-3.1!) USER MOD Single : A 73 GLN : amide:sc= -0.225 K(o=-0.22,f=-2.2!) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= -0.341 X(o=-0.34,f=-0.012) USER MOD Single : A 82 THR OG1 : rot 120:sc= -1.39 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 ASN : amide:sc= -4.09! X(o=-4.1!,f=-3.7) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 150 N HIS A 14 -5.199 -18.235 3.715 1.00 0.00 N ATOM 151 CA HIS A 14 -3.803 -18.241 3.313 1.00 0.00 C ATOM 152 C HIS A 14 -3.015 -17.259 4.181 1.00 0.00 C ATOM 153 O HIS A 14 -3.520 -16.194 4.535 1.00 0.00 O ATOM 154 CB HIS A 14 -3.668 -17.951 1.817 1.00 0.00 C ATOM 155 CG HIS A 14 -2.423 -18.531 1.189 1.00 0.00 C ATOM 156 ND1 HIS A 14 -1.247 -17.813 1.055 1.00 0.00 N ATOM 157 CD2 HIS A 14 -2.183 -19.765 0.661 1.00 0.00 C ATOM 158 CE1 HIS A 14 -0.347 -18.591 0.471 1.00 0.00 C ATOM 159 NE2 HIS A 14 -0.930 -19.800 0.227 1.00 0.00 N ATOM 0 HA HIS A 14 -3.379 -19.233 3.471 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -4.542 -18.348 1.300 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -3.670 -16.872 1.665 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -2.893 -20.577 0.606 1.00 0.00 H new ATOM 0 HE1 HIS A 14 0.669 -18.316 0.231 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -0.477 -20.599 -0.216 1.00 0.00 H new ATOM 167 N PRO A 15 -1.757 -17.661 4.507 1.00 0.00 N ATOM 168 CA PRO A 15 -0.894 -16.828 5.327 1.00 0.00 C ATOM 169 C PRO A 15 -0.345 -15.648 4.522 1.00 0.00 C ATOM 170 O PRO A 15 0.149 -14.678 5.095 1.00 0.00 O ATOM 171 CB PRO A 15 0.195 -17.763 5.828 1.00 0.00 C ATOM 172 CG PRO A 15 0.167 -18.969 4.902 1.00 0.00 C ATOM 173 CD PRO A 15 -1.126 -18.915 4.105 1.00 0.00 C ATOM 0 HA PRO A 15 -1.423 -16.370 6.163 1.00 0.00 H new ATOM 0 HB2 PRO A 15 1.170 -17.275 5.805 1.00 0.00 H new ATOM 0 HB3 PRO A 15 0.011 -18.059 6.861 1.00 0.00 H new ATOM 0 HG2 PRO A 15 1.028 -18.957 4.234 1.00 0.00 H new ATOM 0 HG3 PRO A 15 0.223 -19.893 5.477 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -0.931 -18.934 3.033 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -1.765 -19.769 4.329 1.00 0.00 H new ATOM 181 N SER A 16 -0.450 -15.770 3.207 1.00 0.00 N ATOM 182 CA SER A 16 0.030 -14.726 2.318 1.00 0.00 C ATOM 183 C SER A 16 -1.094 -13.729 2.027 1.00 0.00 C ATOM 184 O SER A 16 -0.838 -12.615 1.574 1.00 0.00 O ATOM 185 CB SER A 16 0.566 -15.317 1.013 1.00 0.00 C ATOM 186 OG SER A 16 1.421 -14.408 0.326 1.00 0.00 O ATOM 0 H SER A 16 -0.861 -16.576 2.736 1.00 0.00 H new ATOM 0 HA SER A 16 0.850 -14.206 2.813 1.00 0.00 H new ATOM 0 HB2 SER A 16 1.112 -16.235 1.228 1.00 0.00 H new ATOM 0 HB3 SER A 16 -0.270 -15.587 0.367 1.00 0.00 H new ATOM 0 HG SER A 16 2.049 -14.910 -0.235 1.00 0.00 H new ATOM 192 N ILE A 17 -2.315 -14.166 2.301 1.00 0.00 N ATOM 193 CA ILE A 17 -3.478 -13.326 2.074 1.00 0.00 C ATOM 194 C ILE A 17 -3.805 -12.558 3.357 1.00 0.00 C ATOM 195 O ILE A 17 -3.882 -11.331 3.347 1.00 0.00 O ATOM 196 CB ILE A 17 -4.646 -14.160 1.542 1.00 0.00 C ATOM 197 CG1 ILE A 17 -4.329 -14.725 0.156 1.00 0.00 C ATOM 198 CG2 ILE A 17 -5.945 -13.351 1.548 1.00 0.00 C ATOM 199 CD1 ILE A 17 -4.318 -13.617 -0.899 1.00 0.00 C ATOM 0 H ILE A 17 -2.523 -15.091 2.678 1.00 0.00 H new ATOM 0 HA ILE A 17 -3.268 -12.585 1.303 1.00 0.00 H new ATOM 0 HB ILE A 17 -4.792 -15.009 2.210 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -3.360 -15.223 0.175 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -5.069 -15.479 -0.111 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -6.759 -13.967 1.165 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -6.174 -13.039 2.567 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -5.828 -12.471 0.916 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -4.090 -14.046 -1.875 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -5.296 -13.137 -0.933 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -3.560 -12.877 -0.642 1.00 0.00 H new ATOM 211 N SER A 18 -3.989 -13.313 4.430 1.00 0.00 N ATOM 212 CA SER A 18 -4.306 -12.719 5.717 1.00 0.00 C ATOM 213 C SER A 18 -3.283 -11.634 6.059 1.00 0.00 C ATOM 214 O SER A 18 -3.560 -10.745 6.862 1.00 0.00 O ATOM 215 CB SER A 18 -4.343 -13.780 6.819 1.00 0.00 C ATOM 216 OG SER A 18 -4.713 -13.228 8.080 1.00 0.00 O ATOM 0 H SER A 18 -3.925 -14.331 4.434 1.00 0.00 H new ATOM 0 HA SER A 18 -5.296 -12.268 5.651 1.00 0.00 H new ATOM 0 HB2 SER A 18 -5.050 -14.563 6.545 1.00 0.00 H new ATOM 0 HB3 SER A 18 -3.363 -14.250 6.903 1.00 0.00 H new ATOM 0 HG SER A 18 -4.727 -13.937 8.756 1.00 0.00 H new ATOM 222 N ARG A 19 -2.121 -11.743 5.432 1.00 0.00 N ATOM 223 CA ARG A 19 -1.055 -10.782 5.660 1.00 0.00 C ATOM 224 C ARG A 19 -1.315 -9.502 4.863 1.00 0.00 C ATOM 225 O ARG A 19 -1.190 -8.400 5.395 1.00 0.00 O ATOM 226 CB ARG A 19 0.303 -11.360 5.255 1.00 0.00 C ATOM 227 CG ARG A 19 1.370 -10.265 5.196 1.00 0.00 C ATOM 228 CD ARG A 19 1.454 -9.510 6.525 1.00 0.00 C ATOM 229 NE ARG A 19 2.871 -9.298 6.897 1.00 0.00 N ATOM 230 CZ ARG A 19 3.723 -10.287 7.200 1.00 0.00 C ATOM 231 NH1 ARG A 19 3.308 -11.560 7.176 1.00 0.00 N ATOM 232 NH2 ARG A 19 4.991 -10.001 7.527 1.00 0.00 N ATOM 0 H ARG A 19 -1.894 -12.482 4.766 1.00 0.00 H new ATOM 0 HA ARG A 19 -1.037 -10.553 6.726 1.00 0.00 H new ATOM 0 HB2 ARG A 19 0.603 -12.127 5.969 1.00 0.00 H new ATOM 0 HB3 ARG A 19 0.220 -11.845 4.282 1.00 0.00 H new ATOM 0 HG2 ARG A 19 2.338 -10.708 4.963 1.00 0.00 H new ATOM 0 HG3 ARG A 19 1.137 -9.568 4.391 1.00 0.00 H new ATOM 0 HD2 ARG A 19 0.944 -8.550 6.441 1.00 0.00 H new ATOM 0 HD3 ARG A 19 0.945 -10.074 7.306 1.00 0.00 H new ATOM 0 HE ARG A 19 3.220 -8.340 6.924 1.00 0.00 H new ATOM 0 HH11 ARG A 19 2.343 -11.777 6.927 1.00 0.00 H new ATOM 0 HH12 ARG A 19 3.957 -12.312 7.407 1.00 0.00 H new ATOM 0 HH21 ARG A 19 5.307 -9.031 7.545 1.00 0.00 H new ATOM 0 HH22 ARG A 19 5.640 -10.753 7.758 1.00 0.00 H new ATOM 246 N LEU A 20 -1.671 -9.691 3.601 1.00 0.00 N ATOM 247 CA LEU A 20 -1.950 -8.565 2.726 1.00 0.00 C ATOM 248 C LEU A 20 -3.143 -7.781 3.275 1.00 0.00 C ATOM 249 O LEU A 20 -3.118 -6.552 3.314 1.00 0.00 O ATOM 250 CB LEU A 20 -2.137 -9.040 1.284 1.00 0.00 C ATOM 251 CG LEU A 20 -0.890 -9.004 0.399 1.00 0.00 C ATOM 252 CD1 LEU A 20 -1.131 -9.744 -0.919 1.00 0.00 C ATOM 253 CD2 LEU A 20 -0.421 -7.566 0.171 1.00 0.00 C ATOM 0 H LEU A 20 -1.773 -10.607 3.164 1.00 0.00 H new ATOM 0 HA LEU A 20 -1.102 -7.881 2.704 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.514 -10.063 1.305 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.907 -8.426 0.817 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.087 -9.526 0.919 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.229 -9.703 -1.529 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.382 -10.784 -0.712 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.954 -9.272 -1.456 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.467 -7.569 -0.461 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.213 -6.998 -0.318 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.183 -7.105 1.129 1.00 0.00 H new ATOM 265 N GLN A 21 -4.160 -8.524 3.686 1.00 0.00 N ATOM 266 CA GLN A 21 -5.361 -7.914 4.231 1.00 0.00 C ATOM 267 C GLN A 21 -4.997 -6.925 5.340 1.00 0.00 C ATOM 268 O GLN A 21 -5.655 -5.898 5.502 1.00 0.00 O ATOM 269 CB GLN A 21 -6.333 -8.979 4.743 1.00 0.00 C ATOM 270 CG GLN A 21 -7.390 -9.310 3.687 1.00 0.00 C ATOM 271 CD GLN A 21 -8.666 -9.847 4.338 1.00 0.00 C ATOM 272 OE1 GLN A 21 -9.569 -9.109 4.698 1.00 0.00 O ATOM 273 NE2 GLN A 21 -8.690 -11.170 4.469 1.00 0.00 N ATOM 0 H GLN A 21 -4.177 -9.543 3.653 1.00 0.00 H new ATOM 0 HA GLN A 21 -5.862 -7.366 3.433 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -5.783 -9.882 5.007 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -6.820 -8.625 5.652 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -7.622 -8.417 3.107 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -6.994 -10.049 2.990 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -7.900 -11.729 4.146 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -9.498 -11.626 4.892 1.00 0.00 H new ATOM 282 N GLU A 22 -3.951 -7.269 6.077 1.00 0.00 N ATOM 283 CA GLU A 22 -3.492 -6.425 7.166 1.00 0.00 C ATOM 284 C GLU A 22 -2.701 -5.235 6.618 1.00 0.00 C ATOM 285 O GLU A 22 -2.698 -4.159 7.215 1.00 0.00 O ATOM 286 CB GLU A 22 -2.655 -7.225 8.166 1.00 0.00 C ATOM 287 CG GLU A 22 -3.387 -7.370 9.502 1.00 0.00 C ATOM 288 CD GLU A 22 -2.735 -6.502 10.581 1.00 0.00 C ATOM 289 OE1 GLU A 22 -1.551 -6.766 10.882 1.00 0.00 O ATOM 290 OE2 GLU A 22 -3.435 -5.595 11.079 1.00 0.00 O ATOM 0 H GLU A 22 -3.408 -8.122 5.941 1.00 0.00 H new ATOM 0 HA GLU A 22 -4.365 -6.044 7.696 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -2.438 -8.212 7.757 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.698 -6.728 8.324 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -4.432 -7.083 9.381 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.377 -8.414 9.815 1.00 0.00 H new ATOM 297 N ILE A 23 -2.050 -5.468 5.488 1.00 0.00 N ATOM 298 CA ILE A 23 -1.257 -4.429 4.853 1.00 0.00 C ATOM 299 C ILE A 23 -2.184 -3.482 4.089 1.00 0.00 C ATOM 300 O ILE A 23 -1.954 -2.274 4.056 1.00 0.00 O ATOM 301 CB ILE A 23 -0.159 -5.047 3.986 1.00 0.00 C ATOM 302 CG1 ILE A 23 1.036 -5.478 4.839 1.00 0.00 C ATOM 303 CG2 ILE A 23 0.253 -4.095 2.861 1.00 0.00 C ATOM 304 CD1 ILE A 23 1.465 -6.907 4.501 1.00 0.00 C ATOM 0 H ILE A 23 -2.055 -6.361 4.996 1.00 0.00 H new ATOM 0 HA ILE A 23 -0.739 -3.832 5.604 1.00 0.00 H new ATOM 0 HB ILE A 23 -0.560 -5.945 3.516 1.00 0.00 H new ATOM 0 HG12 ILE A 23 1.870 -4.796 4.674 1.00 0.00 H new ATOM 0 HG13 ILE A 23 0.775 -5.413 5.895 1.00 0.00 H new ATOM 0 HG21 ILE A 23 1.035 -4.559 2.260 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -0.610 -3.881 2.231 1.00 0.00 H new ATOM 0 HG23 ILE A 23 0.628 -3.166 3.290 1.00 0.00 H new ATOM 0 HD11 ILE A 23 2.316 -7.188 5.122 1.00 0.00 H new ATOM 0 HD12 ILE A 23 0.637 -7.590 4.690 1.00 0.00 H new ATOM 0 HD13 ILE A 23 1.748 -6.963 3.450 1.00 0.00 H new ATOM 316 N GLN A 24 -3.212 -4.066 3.492 1.00 0.00 N ATOM 317 CA GLN A 24 -4.175 -3.289 2.729 1.00 0.00 C ATOM 318 C GLN A 24 -4.940 -2.339 3.652 1.00 0.00 C ATOM 319 O GLN A 24 -4.934 -1.127 3.445 1.00 0.00 O ATOM 320 CB GLN A 24 -5.135 -4.204 1.966 1.00 0.00 C ATOM 321 CG GLN A 24 -4.526 -4.649 0.634 1.00 0.00 C ATOM 322 CD GLN A 24 -5.571 -5.345 -0.241 1.00 0.00 C ATOM 323 OE1 GLN A 24 -6.569 -4.768 -0.640 1.00 0.00 O ATOM 324 NE2 GLN A 24 -5.286 -6.615 -0.516 1.00 0.00 N ATOM 0 H GLN A 24 -3.400 -5.068 3.521 1.00 0.00 H new ATOM 0 HA GLN A 24 -3.633 -2.693 1.995 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -5.369 -5.078 2.573 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -6.074 -3.681 1.784 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -4.123 -3.784 0.107 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -3.692 -5.326 0.819 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -4.433 -7.037 -0.150 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -5.921 -7.167 -1.093 1.00 0.00 H new ATOM 333 N ARG A 25 -5.582 -2.926 4.652 1.00 0.00 N ATOM 334 CA ARG A 25 -6.351 -2.146 5.608 1.00 0.00 C ATOM 335 C ARG A 25 -5.514 -0.979 6.136 1.00 0.00 C ATOM 336 O ARG A 25 -6.058 0.055 6.521 1.00 0.00 O ATOM 337 CB ARG A 25 -6.807 -3.011 6.784 1.00 0.00 C ATOM 338 CG ARG A 25 -5.609 -3.516 7.591 1.00 0.00 C ATOM 339 CD ARG A 25 -6.060 -4.123 8.921 1.00 0.00 C ATOM 340 NE ARG A 25 -6.500 -5.521 8.716 1.00 0.00 N ATOM 341 CZ ARG A 25 -6.866 -6.346 9.706 1.00 0.00 C ATOM 342 NH1 ARG A 25 -6.847 -5.919 10.976 1.00 0.00 N ATOM 343 NH2 ARG A 25 -7.252 -7.599 9.426 1.00 0.00 N ATOM 0 H ARG A 25 -5.586 -3.932 4.821 1.00 0.00 H new ATOM 0 HA ARG A 25 -7.231 -1.762 5.092 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -7.468 -2.433 7.430 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -7.384 -3.859 6.414 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -5.065 -4.263 7.012 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -4.919 -2.693 7.778 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -5.242 -4.092 9.640 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -6.876 -3.534 9.341 1.00 0.00 H new ATOM 0 HE ARG A 25 -6.526 -5.879 7.761 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -6.554 -4.966 11.189 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -7.126 -6.547 11.730 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -7.267 -7.924 8.459 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -7.531 -8.227 10.180 1.00 0.00 H new ATOM 357 N GLU A 26 -4.205 -1.184 6.138 1.00 0.00 N ATOM 358 CA GLU A 26 -3.288 -0.162 6.613 1.00 0.00 C ATOM 359 C GLU A 26 -3.202 0.984 5.603 1.00 0.00 C ATOM 360 O GLU A 26 -3.687 2.084 5.865 1.00 0.00 O ATOM 361 CB GLU A 26 -1.904 -0.753 6.890 1.00 0.00 C ATOM 362 CG GLU A 26 -1.905 -1.565 8.187 1.00 0.00 C ATOM 363 CD GLU A 26 -1.226 -0.792 9.318 1.00 0.00 C ATOM 364 OE1 GLU A 26 0.024 -0.767 9.319 1.00 0.00 O ATOM 365 OE2 GLU A 26 -1.972 -0.242 10.158 1.00 0.00 O ATOM 0 H GLU A 26 -3.758 -2.043 5.818 1.00 0.00 H new ATOM 0 HA GLU A 26 -3.672 0.235 7.553 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -1.603 -1.390 6.058 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.169 0.049 6.959 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -2.930 -1.804 8.470 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -1.389 -2.512 8.028 1.00 0.00 H new ATOM 372 N VAL A 27 -2.582 0.688 4.471 1.00 0.00 N ATOM 373 CA VAL A 27 -2.426 1.680 3.421 1.00 0.00 C ATOM 374 C VAL A 27 -3.784 2.321 3.125 1.00 0.00 C ATOM 375 O VAL A 27 -3.854 3.490 2.750 1.00 0.00 O ATOM 376 CB VAL A 27 -1.786 1.041 2.187 1.00 0.00 C ATOM 377 CG1 VAL A 27 -0.523 0.264 2.565 1.00 0.00 C ATOM 378 CG2 VAL A 27 -2.784 0.142 1.454 1.00 0.00 C ATOM 0 H VAL A 27 -2.181 -0.225 4.257 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.754 2.475 3.744 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.496 1.842 1.507 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.088 -0.180 1.670 1.00 0.00 H new ATOM 0 HG12 VAL A 27 0.198 0.942 3.021 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.779 -0.524 3.273 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.303 -0.299 0.581 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -3.119 -0.650 2.123 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.641 0.735 1.135 1.00 0.00 H new ATOM 388 N LYS A 28 -4.829 1.527 3.306 1.00 0.00 N ATOM 389 CA LYS A 28 -6.181 2.002 3.064 1.00 0.00 C ATOM 390 C LYS A 28 -6.612 2.911 4.216 1.00 0.00 C ATOM 391 O LYS A 28 -7.318 3.895 4.004 1.00 0.00 O ATOM 392 CB LYS A 28 -7.127 0.824 2.822 1.00 0.00 C ATOM 393 CG LYS A 28 -8.405 1.283 2.117 1.00 0.00 C ATOM 394 CD LYS A 28 -8.713 0.397 0.908 1.00 0.00 C ATOM 395 CE LYS A 28 -8.638 1.200 -0.393 1.00 0.00 C ATOM 396 NZ LYS A 28 -9.363 0.499 -1.476 1.00 0.00 N ATOM 0 H LYS A 28 -4.767 0.558 3.617 1.00 0.00 H new ATOM 0 HA LYS A 28 -6.217 2.602 2.155 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -6.625 0.068 2.218 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -7.380 0.355 3.773 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -9.241 1.254 2.816 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -8.295 2.318 1.795 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -8.005 -0.431 0.870 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -9.707 -0.038 1.015 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -9.067 2.190 -0.241 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -7.596 1.345 -0.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -9.303 1.057 -2.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -8.936 -0.436 -1.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -10.361 0.383 -1.207 1.00 0.00 H new ATOM 410 N ALA A 29 -6.168 2.549 5.411 1.00 0.00 N ATOM 411 CA ALA A 29 -6.499 3.319 6.597 1.00 0.00 C ATOM 412 C ALA A 29 -5.718 4.635 6.580 1.00 0.00 C ATOM 413 O ALA A 29 -5.915 5.490 7.442 1.00 0.00 O ATOM 414 CB ALA A 29 -6.208 2.485 7.846 1.00 0.00 C ATOM 0 H ALA A 29 -5.582 1.732 5.583 1.00 0.00 H new ATOM 0 HA ALA A 29 -7.561 3.565 6.610 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -6.457 3.063 8.736 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -6.809 1.576 7.825 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -5.151 2.221 7.869 1.00 0.00 H new ATOM 420 N ILE A 30 -4.848 4.756 5.588 1.00 0.00 N ATOM 421 CA ILE A 30 -4.036 5.954 5.447 1.00 0.00 C ATOM 422 C ILE A 30 -4.257 6.553 4.057 1.00 0.00 C ATOM 423 O ILE A 30 -3.593 7.518 3.681 1.00 0.00 O ATOM 424 CB ILE A 30 -2.570 5.647 5.759 1.00 0.00 C ATOM 425 CG1 ILE A 30 -2.027 4.562 4.826 1.00 0.00 C ATOM 426 CG2 ILE A 30 -2.388 5.279 7.233 1.00 0.00 C ATOM 427 CD1 ILE A 30 -1.541 5.165 3.507 1.00 0.00 C ATOM 0 H ILE A 30 -4.687 4.045 4.874 1.00 0.00 H new ATOM 0 HA ILE A 30 -4.340 6.709 6.172 1.00 0.00 H new ATOM 0 HB ILE A 30 -1.986 6.549 5.578 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -1.206 4.036 5.313 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -2.805 3.825 4.628 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -1.337 5.066 7.428 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -2.711 6.111 7.858 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -2.986 4.398 7.465 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.160 4.372 2.863 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -2.370 5.670 3.010 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -0.746 5.884 3.706 1.00 0.00 H new ATOM 439 N GLU A 31 -5.192 5.957 3.332 1.00 0.00 N ATOM 440 CA GLU A 31 -5.509 6.420 1.992 1.00 0.00 C ATOM 441 C GLU A 31 -6.190 7.789 2.051 1.00 0.00 C ATOM 442 O GLU A 31 -5.877 8.677 1.259 1.00 0.00 O ATOM 443 CB GLU A 31 -6.383 5.405 1.253 1.00 0.00 C ATOM 444 CG GLU A 31 -7.023 6.032 0.013 1.00 0.00 C ATOM 445 CD GLU A 31 -7.991 5.056 -0.658 1.00 0.00 C ATOM 446 OE1 GLU A 31 -9.108 4.902 -0.117 1.00 0.00 O ATOM 447 OE2 GLU A 31 -7.593 4.485 -1.696 1.00 0.00 O ATOM 0 H GLU A 31 -5.741 5.157 3.648 1.00 0.00 H new ATOM 0 HA GLU A 31 -4.578 6.522 1.435 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -5.780 4.546 0.960 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -7.161 5.036 1.921 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -7.554 6.941 0.294 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -6.246 6.323 -0.694 1.00 0.00 H new ATOM 454 N PRO A 32 -7.133 7.921 3.022 1.00 0.00 N ATOM 455 CA PRO A 32 -7.860 9.167 3.194 1.00 0.00 C ATOM 456 C PRO A 32 -6.980 10.229 3.856 1.00 0.00 C ATOM 457 O PRO A 32 -7.419 11.358 4.073 1.00 0.00 O ATOM 458 CB PRO A 32 -9.077 8.800 4.028 1.00 0.00 C ATOM 459 CG PRO A 32 -8.748 7.468 4.681 1.00 0.00 C ATOM 460 CD PRO A 32 -7.529 6.892 3.978 1.00 0.00 C ATOM 0 HA PRO A 32 -8.162 9.612 2.246 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -9.281 9.563 4.779 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -9.968 8.720 3.405 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -8.547 7.603 5.744 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -9.593 6.785 4.601 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -6.728 6.679 4.685 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -7.768 5.955 3.475 1.00 0.00 H new ATOM 468 N GLN A 33 -5.753 9.830 4.159 1.00 0.00 N ATOM 469 CA GLN A 33 -4.807 10.734 4.792 1.00 0.00 C ATOM 470 C GLN A 33 -4.029 11.515 3.732 1.00 0.00 C ATOM 471 O GLN A 33 -3.985 12.744 3.768 1.00 0.00 O ATOM 472 CB GLN A 33 -3.858 9.972 5.719 1.00 0.00 C ATOM 473 CG GLN A 33 -4.540 9.635 7.046 1.00 0.00 C ATOM 474 CD GLN A 33 -3.517 9.540 8.180 1.00 0.00 C ATOM 475 OE1 GLN A 33 -2.868 8.380 8.226 1.00 0.00 O flip ATOM 476 NE2 GLN A 33 -3.330 10.459 8.961 1.00 0.00 N flip ATOM 0 H GLN A 33 -5.392 8.893 3.978 1.00 0.00 H new ATOM 0 HA GLN A 33 -5.365 11.445 5.402 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -3.528 9.054 5.232 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -2.967 10.572 5.906 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -5.281 10.399 7.283 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -5.075 8.690 6.954 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -3.864 11.323 8.869 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -2.640 10.363 9.706 1.00 0.00 H new ATOM 485 N VAL A 34 -3.433 10.770 2.812 1.00 0.00 N ATOM 486 CA VAL A 34 -2.658 11.378 1.743 1.00 0.00 C ATOM 487 C VAL A 34 -3.578 12.249 0.885 1.00 0.00 C ATOM 488 O VAL A 34 -3.187 13.333 0.454 1.00 0.00 O ATOM 489 CB VAL A 34 -1.938 10.295 0.938 1.00 0.00 C ATOM 490 CG1 VAL A 34 -2.843 9.081 0.719 1.00 0.00 C ATOM 491 CG2 VAL A 34 -1.431 10.849 -0.395 1.00 0.00 C ATOM 0 H VAL A 34 -3.471 9.751 2.785 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.884 12.027 2.153 1.00 0.00 H new ATOM 0 HB VAL A 34 -1.073 9.968 1.515 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.306 8.326 0.144 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -3.133 8.664 1.684 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -3.736 9.386 0.173 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -0.923 10.059 -0.948 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -2.274 11.217 -0.980 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -0.735 11.666 -0.208 1.00 0.00 H new ATOM 501 N VAL A 35 -4.781 11.742 0.662 1.00 0.00 N ATOM 502 CA VAL A 35 -5.759 12.461 -0.138 1.00 0.00 C ATOM 503 C VAL A 35 -6.020 13.830 0.492 1.00 0.00 C ATOM 504 O VAL A 35 -6.034 14.845 -0.203 1.00 0.00 O ATOM 505 CB VAL A 35 -7.030 11.621 -0.289 1.00 0.00 C ATOM 506 CG1 VAL A 35 -8.100 12.383 -1.074 1.00 0.00 C ATOM 507 CG2 VAL A 35 -6.722 10.274 -0.946 1.00 0.00 C ATOM 0 H VAL A 35 -5.101 10.843 1.021 1.00 0.00 H new ATOM 0 HA VAL A 35 -5.377 12.634 -1.144 1.00 0.00 H new ATOM 0 HB VAL A 35 -7.423 11.424 0.709 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -8.993 11.764 -1.167 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -8.350 13.304 -0.548 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -7.720 12.624 -2.067 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -7.642 9.697 -1.041 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -6.294 10.441 -1.934 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -6.010 9.723 -0.331 1.00 0.00 H new ATOM 517 N GLY A 36 -6.218 13.816 1.802 1.00 0.00 N ATOM 518 CA GLY A 36 -6.477 15.044 2.534 1.00 0.00 C ATOM 519 C GLY A 36 -5.264 15.449 3.373 1.00 0.00 C ATOM 520 O GLY A 36 -5.414 16.000 4.462 1.00 0.00 O ATOM 0 H GLY A 36 -6.204 12.973 2.376 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -6.723 15.843 1.835 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -7.343 14.909 3.182 1.00 0.00 H new ATOM 524 N PHE A 37 -4.088 15.159 2.834 1.00 0.00 N ATOM 525 CA PHE A 37 -2.850 15.485 3.520 1.00 0.00 C ATOM 526 C PHE A 37 -2.402 16.911 3.194 1.00 0.00 C ATOM 527 O PHE A 37 -2.809 17.477 2.180 1.00 0.00 O ATOM 528 CB PHE A 37 -1.789 14.503 3.020 1.00 0.00 C ATOM 529 CG PHE A 37 -0.351 14.944 3.299 1.00 0.00 C ATOM 530 CD1 PHE A 37 0.070 15.116 4.581 1.00 0.00 C ATOM 531 CD2 PHE A 37 0.506 15.164 2.266 1.00 0.00 C ATOM 532 CE1 PHE A 37 1.405 15.526 4.840 1.00 0.00 C ATOM 533 CE2 PHE A 37 1.840 15.574 2.526 1.00 0.00 C ATOM 534 CZ PHE A 37 2.262 15.746 3.807 1.00 0.00 C ATOM 0 H PHE A 37 -3.967 14.702 1.930 1.00 0.00 H new ATOM 0 HA PHE A 37 -2.993 15.415 4.598 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -1.958 13.533 3.488 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -1.914 14.365 1.946 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -0.610 14.941 5.401 1.00 0.00 H new ATOM 0 HD2 PHE A 37 0.172 15.027 1.248 1.00 0.00 H new ATOM 0 HE1 PHE A 37 1.740 15.663 5.858 1.00 0.00 H new ATOM 0 HE2 PHE A 37 2.520 15.749 1.706 1.00 0.00 H new ATOM 0 HZ PHE A 37 3.277 16.057 4.004 1.00 0.00 H new ATOM 544 N SER A 38 -1.569 17.452 4.071 1.00 0.00 N ATOM 545 CA SER A 38 -1.062 18.801 3.889 1.00 0.00 C ATOM 546 C SER A 38 0.089 19.063 4.863 1.00 0.00 C ATOM 547 O SER A 38 -0.138 19.304 6.048 1.00 0.00 O ATOM 548 CB SER A 38 -2.170 19.837 4.086 1.00 0.00 C ATOM 549 OG SER A 38 -2.553 20.448 2.857 1.00 0.00 O ATOM 0 H SER A 38 -1.232 16.980 4.910 1.00 0.00 H new ATOM 0 HA SER A 38 -0.693 18.893 2.867 1.00 0.00 H new ATOM 0 HB2 SER A 38 -3.038 19.358 4.539 1.00 0.00 H new ATOM 0 HB3 SER A 38 -1.830 20.604 4.782 1.00 0.00 H new ATOM 0 HG SER A 38 -2.785 19.754 2.205 1.00 0.00 H new ATOM 555 N GLY A 39 1.300 19.007 4.328 1.00 0.00 N ATOM 556 CA GLY A 39 2.486 19.235 5.134 1.00 0.00 C ATOM 557 C GLY A 39 3.738 19.318 4.258 1.00 0.00 C ATOM 558 O GLY A 39 4.784 18.776 4.611 1.00 0.00 O ATOM 0 H GLY A 39 1.485 18.807 3.345 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.373 20.159 5.701 1.00 0.00 H new ATOM 0 HA3 GLY A 39 2.598 18.429 5.859 1.00 0.00 H new ATOM 562 N LEU A 40 3.588 20.000 3.132 1.00 0.00 N ATOM 563 CA LEU A 40 4.693 20.161 2.203 1.00 0.00 C ATOM 564 C LEU A 40 5.314 18.793 1.914 1.00 0.00 C ATOM 565 O LEU A 40 4.851 17.776 2.428 1.00 0.00 O ATOM 566 CB LEU A 40 5.694 21.191 2.732 1.00 0.00 C ATOM 567 CG LEU A 40 5.731 22.530 1.994 1.00 0.00 C ATOM 568 CD1 LEU A 40 6.487 23.583 2.807 1.00 0.00 C ATOM 569 CD2 LEU A 40 6.313 22.366 0.589 1.00 0.00 C ATOM 0 H LEU A 40 2.718 20.447 2.842 1.00 0.00 H new ATOM 0 HA LEU A 40 4.336 20.557 1.253 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.468 21.383 3.781 1.00 0.00 H new ATOM 0 HB3 LEU A 40 6.691 20.751 2.696 1.00 0.00 H new ATOM 0 HG LEU A 40 4.707 22.885 1.879 1.00 0.00 H new ATOM 0 HD11 LEU A 40 6.499 24.526 2.260 1.00 0.00 H new ATOM 0 HD12 LEU A 40 5.991 23.727 3.767 1.00 0.00 H new ATOM 0 HD13 LEU A 40 7.511 23.248 2.974 1.00 0.00 H new ATOM 0 HD21 LEU A 40 6.328 23.333 0.086 1.00 0.00 H new ATOM 0 HD22 LEU A 40 7.329 21.978 0.659 1.00 0.00 H new ATOM 0 HD23 LEU A 40 5.697 21.670 0.019 1.00 0.00 H new ATOM 581 N SER A 41 6.353 18.812 1.092 1.00 0.00 N ATOM 582 CA SER A 41 7.043 17.585 0.728 1.00 0.00 C ATOM 583 C SER A 41 8.375 17.492 1.475 1.00 0.00 C ATOM 584 O SER A 41 9.250 18.338 1.298 1.00 0.00 O ATOM 585 CB SER A 41 7.275 17.511 -0.782 1.00 0.00 C ATOM 586 OG SER A 41 8.021 18.626 -1.263 1.00 0.00 O ATOM 0 H SER A 41 6.734 19.658 0.667 1.00 0.00 H new ATOM 0 HA SER A 41 6.414 16.742 1.013 1.00 0.00 H new ATOM 0 HB2 SER A 41 7.805 16.589 -1.023 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.314 17.469 -1.295 1.00 0.00 H new ATOM 0 HG SER A 41 8.692 18.883 -0.596 1.00 0.00 H new ATOM 652 N TYR A 46 5.017 14.665 6.220 1.00 0.00 N ATOM 653 CA TYR A 46 5.070 13.888 4.994 1.00 0.00 C ATOM 654 C TYR A 46 5.842 12.584 5.205 1.00 0.00 C ATOM 655 O TYR A 46 5.426 11.528 4.731 1.00 0.00 O ATOM 656 CB TYR A 46 5.820 14.752 3.978 1.00 0.00 C ATOM 657 CG TYR A 46 6.106 14.046 2.651 1.00 0.00 C ATOM 658 CD1 TYR A 46 5.181 14.100 1.628 1.00 0.00 C ATOM 659 CD2 TYR A 46 7.288 13.356 2.477 1.00 0.00 C ATOM 660 CE1 TYR A 46 5.450 13.435 0.379 1.00 0.00 C ATOM 661 CE2 TYR A 46 7.557 12.692 1.228 1.00 0.00 C ATOM 662 CZ TYR A 46 6.625 12.765 0.241 1.00 0.00 C ATOM 663 OH TYR A 46 6.879 12.137 -0.939 1.00 0.00 O ATOM 0 HA TYR A 46 4.065 13.629 4.661 1.00 0.00 H new ATOM 0 HB2 TYR A 46 5.237 15.652 3.781 1.00 0.00 H new ATOM 0 HB3 TYR A 46 6.764 15.074 4.417 1.00 0.00 H new ATOM 0 HD1 TYR A 46 4.256 14.641 1.764 1.00 0.00 H new ATOM 0 HD2 TYR A 46 8.012 13.314 3.278 1.00 0.00 H new ATOM 0 HE1 TYR A 46 4.735 13.468 -0.429 1.00 0.00 H new ATOM 0 HE2 TYR A 46 8.478 12.148 1.079 1.00 0.00 H new ATOM 0 HH TYR A 46 6.850 11.167 -0.806 1.00 0.00 H new ATOM 673 N LYS A 47 6.954 12.700 5.916 1.00 0.00 N ATOM 674 CA LYS A 47 7.788 11.543 6.195 1.00 0.00 C ATOM 675 C LYS A 47 6.909 10.395 6.694 1.00 0.00 C ATOM 676 O LYS A 47 6.792 9.365 6.032 1.00 0.00 O ATOM 677 CB LYS A 47 8.917 11.917 7.158 1.00 0.00 C ATOM 678 CG LYS A 47 9.803 13.014 6.565 1.00 0.00 C ATOM 679 CD LYS A 47 10.461 12.545 5.266 1.00 0.00 C ATOM 680 CE LYS A 47 11.972 12.787 5.298 1.00 0.00 C ATOM 681 NZ LYS A 47 12.262 14.211 5.579 1.00 0.00 N ATOM 0 H LYS A 47 7.297 13.577 6.307 1.00 0.00 H new ATOM 0 HA LYS A 47 8.278 11.197 5.285 1.00 0.00 H new ATOM 0 HB2 LYS A 47 8.495 12.257 8.104 1.00 0.00 H new ATOM 0 HB3 LYS A 47 9.520 11.036 7.376 1.00 0.00 H new ATOM 0 HG2 LYS A 47 9.205 13.905 6.373 1.00 0.00 H new ATOM 0 HG3 LYS A 47 10.571 13.295 7.285 1.00 0.00 H new ATOM 0 HD2 LYS A 47 10.262 11.484 5.116 1.00 0.00 H new ATOM 0 HD3 LYS A 47 10.022 13.074 4.420 1.00 0.00 H new ATOM 0 HE2 LYS A 47 12.431 12.159 6.061 1.00 0.00 H new ATOM 0 HE3 LYS A 47 12.413 12.501 4.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 13.174 14.470 5.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 11.509 14.805 5.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 12.307 14.360 6.607 1.00 0.00 H new ATOM 695 N ARG A 48 6.315 10.610 7.859 1.00 0.00 N ATOM 696 CA ARG A 48 5.450 9.605 8.454 1.00 0.00 C ATOM 697 C ARG A 48 4.571 8.958 7.382 1.00 0.00 C ATOM 698 O ARG A 48 4.732 7.779 7.071 1.00 0.00 O ATOM 699 CB ARG A 48 4.556 10.218 9.534 1.00 0.00 C ATOM 700 CG ARG A 48 4.304 9.222 10.668 1.00 0.00 C ATOM 701 CD ARG A 48 5.589 8.946 11.451 1.00 0.00 C ATOM 702 NE ARG A 48 5.820 7.487 11.546 1.00 0.00 N ATOM 703 CZ ARG A 48 5.219 6.687 12.437 1.00 0.00 C ATOM 704 NH1 ARG A 48 4.346 7.200 13.315 1.00 0.00 N ATOM 705 NH2 ARG A 48 5.490 5.375 12.450 1.00 0.00 N ATOM 0 H ARG A 48 6.416 11.465 8.406 1.00 0.00 H new ATOM 0 HA ARG A 48 6.087 8.848 8.911 1.00 0.00 H new ATOM 0 HB2 ARG A 48 5.026 11.117 9.933 1.00 0.00 H new ATOM 0 HB3 ARG A 48 3.606 10.523 9.095 1.00 0.00 H new ATOM 0 HG2 ARG A 48 3.542 9.616 11.340 1.00 0.00 H new ATOM 0 HG3 ARG A 48 3.916 8.289 10.258 1.00 0.00 H new ATOM 0 HD2 ARG A 48 6.435 9.425 10.958 1.00 0.00 H new ATOM 0 HD3 ARG A 48 5.516 9.377 12.450 1.00 0.00 H new ATOM 0 HE ARG A 48 6.478 7.064 10.892 1.00 0.00 H new ATOM 0 HH11 ARG A 48 4.140 8.199 13.305 1.00 0.00 H new ATOM 0 HH12 ARG A 48 3.888 6.592 13.994 1.00 0.00 H new ATOM 0 HH21 ARG A 48 6.154 4.985 11.781 1.00 0.00 H new ATOM 0 HH22 ARG A 48 5.032 4.766 13.129 1.00 0.00 H new ATOM 719 N LEU A 49 3.661 9.758 6.845 1.00 0.00 N ATOM 720 CA LEU A 49 2.757 9.277 5.814 1.00 0.00 C ATOM 721 C LEU A 49 3.543 8.439 4.804 1.00 0.00 C ATOM 722 O LEU A 49 3.323 7.234 4.687 1.00 0.00 O ATOM 723 CB LEU A 49 1.994 10.444 5.185 1.00 0.00 C ATOM 724 CG LEU A 49 1.009 11.174 6.100 1.00 0.00 C ATOM 725 CD1 LEU A 49 0.290 12.296 5.349 1.00 0.00 C ATOM 726 CD2 LEU A 49 0.027 10.192 6.742 1.00 0.00 C ATOM 0 H LEU A 49 3.530 10.736 7.105 1.00 0.00 H new ATOM 0 HA LEU A 49 1.997 8.626 6.246 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.719 11.168 4.814 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.446 10.070 4.320 1.00 0.00 H new ATOM 0 HG LEU A 49 1.574 11.639 6.908 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.404 12.798 6.023 1.00 0.00 H new ATOM 0 HD12 LEU A 49 1.022 13.015 4.981 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -0.261 11.876 4.508 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -0.662 10.736 7.388 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.535 9.678 5.963 1.00 0.00 H new ATOM 0 HD23 LEU A 49 0.578 9.461 7.334 1.00 0.00 H new ATOM 738 N GLU A 50 4.442 9.110 4.098 1.00 0.00 N ATOM 739 CA GLU A 50 5.261 8.442 3.101 1.00 0.00 C ATOM 740 C GLU A 50 5.804 7.124 3.657 1.00 0.00 C ATOM 741 O GLU A 50 5.663 6.076 3.030 1.00 0.00 O ATOM 742 CB GLU A 50 6.399 9.349 2.629 1.00 0.00 C ATOM 743 CG GLU A 50 7.480 8.542 1.908 1.00 0.00 C ATOM 744 CD GLU A 50 8.130 9.367 0.796 1.00 0.00 C ATOM 745 OE1 GLU A 50 7.363 9.919 -0.023 1.00 0.00 O ATOM 746 OE2 GLU A 50 9.378 9.427 0.789 1.00 0.00 O ATOM 0 H GLU A 50 4.621 10.109 4.197 1.00 0.00 H new ATOM 0 HA GLU A 50 4.636 8.219 2.236 1.00 0.00 H new ATOM 0 HB2 GLU A 50 6.005 10.115 1.961 1.00 0.00 H new ATOM 0 HB3 GLU A 50 6.835 9.866 3.484 1.00 0.00 H new ATOM 0 HG2 GLU A 50 8.240 8.226 2.623 1.00 0.00 H new ATOM 0 HG3 GLU A 50 7.043 7.637 1.486 1.00 0.00 H new ATOM 753 N ARG A 51 6.415 7.220 4.829 1.00 0.00 N ATOM 754 CA ARG A 51 6.981 6.049 5.477 1.00 0.00 C ATOM 755 C ARG A 51 5.930 4.941 5.581 1.00 0.00 C ATOM 756 O ARG A 51 6.145 3.830 5.100 1.00 0.00 O ATOM 757 CB ARG A 51 7.495 6.388 6.877 1.00 0.00 C ATOM 758 CG ARG A 51 8.812 7.163 6.805 1.00 0.00 C ATOM 759 CD ARG A 51 10.010 6.212 6.824 1.00 0.00 C ATOM 760 NE ARG A 51 10.792 6.409 8.065 1.00 0.00 N ATOM 761 CZ ARG A 51 12.069 6.031 8.217 1.00 0.00 C ATOM 762 NH1 ARG A 51 12.715 5.434 7.206 1.00 0.00 N ATOM 763 NH2 ARG A 51 12.699 6.250 9.379 1.00 0.00 N ATOM 0 H ARG A 51 6.530 8.091 5.347 1.00 0.00 H new ATOM 0 HA ARG A 51 7.818 5.706 4.869 1.00 0.00 H new ATOM 0 HB2 ARG A 51 6.750 6.979 7.409 1.00 0.00 H new ATOM 0 HB3 ARG A 51 7.640 5.470 7.447 1.00 0.00 H new ATOM 0 HG2 ARG A 51 8.835 7.764 5.896 1.00 0.00 H new ATOM 0 HG3 ARG A 51 8.878 7.854 7.646 1.00 0.00 H new ATOM 0 HD2 ARG A 51 9.666 5.180 6.761 1.00 0.00 H new ATOM 0 HD3 ARG A 51 10.641 6.392 5.954 1.00 0.00 H new ATOM 0 HE ARG A 51 10.330 6.861 8.854 1.00 0.00 H new ATOM 0 HH11 ARG A 51 12.235 5.268 6.322 1.00 0.00 H new ATOM 0 HH12 ARG A 51 13.687 5.146 7.321 1.00 0.00 H new ATOM 0 HH21 ARG A 51 12.207 6.704 10.148 1.00 0.00 H new ATOM 0 HH22 ARG A 51 13.671 5.962 9.494 1.00 0.00 H new ATOM 777 N ILE A 52 4.817 5.283 6.213 1.00 0.00 N ATOM 778 CA ILE A 52 3.733 4.331 6.387 1.00 0.00 C ATOM 779 C ILE A 52 3.553 3.529 5.097 1.00 0.00 C ATOM 780 O ILE A 52 3.385 2.311 5.137 1.00 0.00 O ATOM 781 CB ILE A 52 2.462 5.046 6.850 1.00 0.00 C ATOM 782 CG1 ILE A 52 2.687 5.755 8.187 1.00 0.00 C ATOM 783 CG2 ILE A 52 1.278 4.077 6.907 1.00 0.00 C ATOM 784 CD1 ILE A 52 1.883 7.054 8.260 1.00 0.00 C ATOM 0 H ILE A 52 4.642 6.206 6.611 1.00 0.00 H new ATOM 0 HA ILE A 52 3.974 3.618 7.175 1.00 0.00 H new ATOM 0 HB ILE A 52 2.216 5.814 6.116 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.396 5.097 9.005 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.748 5.972 8.314 1.00 0.00 H new ATOM 0 HG21 ILE A 52 0.387 4.610 7.239 1.00 0.00 H new ATOM 0 HG22 ILE A 52 1.102 3.658 5.916 1.00 0.00 H new ATOM 0 HG23 ILE A 52 1.500 3.271 7.607 1.00 0.00 H new ATOM 0 HD11 ILE A 52 2.061 7.538 9.220 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.193 7.720 7.455 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.821 6.831 8.157 1.00 0.00 H new ATOM 796 N LEU A 53 3.594 4.244 3.982 1.00 0.00 N ATOM 797 CA LEU A 53 3.437 3.614 2.683 1.00 0.00 C ATOM 798 C LEU A 53 4.686 2.789 2.367 1.00 0.00 C ATOM 799 O LEU A 53 4.591 1.598 2.076 1.00 0.00 O ATOM 800 CB LEU A 53 3.105 4.660 1.617 1.00 0.00 C ATOM 801 CG LEU A 53 1.723 5.308 1.721 1.00 0.00 C ATOM 802 CD1 LEU A 53 1.637 6.559 0.844 1.00 0.00 C ATOM 803 CD2 LEU A 53 0.619 4.301 1.393 1.00 0.00 C ATOM 0 H LEU A 53 3.734 5.254 3.952 1.00 0.00 H new ATOM 0 HA LEU A 53 2.593 2.924 2.694 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.858 5.447 1.662 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.192 4.191 0.637 1.00 0.00 H new ATOM 0 HG LEU A 53 1.572 5.627 2.752 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.645 7.000 0.936 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.387 7.281 1.166 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.818 6.287 -0.196 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.353 4.787 1.474 1.00 0.00 H new ATOM 0 HD22 LEU A 53 0.755 3.930 0.377 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.667 3.467 2.093 1.00 0.00 H new ATOM 815 N THR A 54 5.829 3.455 2.434 1.00 0.00 N ATOM 816 CA THR A 54 7.096 2.799 2.159 1.00 0.00 C ATOM 817 C THR A 54 7.218 1.512 2.978 1.00 0.00 C ATOM 818 O THR A 54 7.701 0.497 2.477 1.00 0.00 O ATOM 819 CB THR A 54 8.218 3.802 2.433 1.00 0.00 C ATOM 820 OG1 THR A 54 9.181 3.531 1.418 1.00 0.00 O ATOM 821 CG2 THR A 54 8.960 3.509 3.738 1.00 0.00 C ATOM 0 H THR A 54 5.904 4.443 2.675 1.00 0.00 H new ATOM 0 HA THR A 54 7.164 2.492 1.115 1.00 0.00 H new ATOM 0 HB THR A 54 7.803 4.809 2.470 1.00 0.00 H new ATOM 0 HG1 THR A 54 9.943 4.139 1.520 1.00 0.00 H new ATOM 0 HG21 THR A 54 9.746 4.250 3.884 1.00 0.00 H new ATOM 0 HG22 THR A 54 8.260 3.553 4.572 1.00 0.00 H new ATOM 0 HG23 THR A 54 9.404 2.515 3.689 1.00 0.00 H new ATOM 829 N LYS A 55 6.774 1.596 4.223 1.00 0.00 N ATOM 830 CA LYS A 55 6.827 0.451 5.116 1.00 0.00 C ATOM 831 C LYS A 55 5.934 -0.663 4.565 1.00 0.00 C ATOM 832 O LYS A 55 6.427 -1.708 4.145 1.00 0.00 O ATOM 833 CB LYS A 55 6.477 0.869 6.545 1.00 0.00 C ATOM 834 CG LYS A 55 7.707 0.802 7.453 1.00 0.00 C ATOM 835 CD LYS A 55 7.685 1.927 8.490 1.00 0.00 C ATOM 836 CE LYS A 55 7.923 1.378 9.899 1.00 0.00 C ATOM 837 NZ LYS A 55 7.116 2.125 10.889 1.00 0.00 N ATOM 0 H LYS A 55 6.376 2.440 4.635 1.00 0.00 H new ATOM 0 HA LYS A 55 7.841 0.053 5.164 1.00 0.00 H new ATOM 0 HB2 LYS A 55 6.077 1.883 6.543 1.00 0.00 H new ATOM 0 HB3 LYS A 55 5.695 0.218 6.937 1.00 0.00 H new ATOM 0 HG2 LYS A 55 7.738 -0.163 7.959 1.00 0.00 H new ATOM 0 HG3 LYS A 55 8.613 0.875 6.851 1.00 0.00 H new ATOM 0 HD2 LYS A 55 8.451 2.664 8.249 1.00 0.00 H new ATOM 0 HD3 LYS A 55 6.725 2.442 8.454 1.00 0.00 H new ATOM 0 HE2 LYS A 55 7.662 0.320 9.932 1.00 0.00 H new ATOM 0 HE3 LYS A 55 8.981 1.454 10.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 7.289 1.740 11.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 7.384 3.130 10.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 6.107 2.031 10.656 1.00 0.00 H new ATOM 851 N GLN A 56 4.636 -0.400 4.584 1.00 0.00 N ATOM 852 CA GLN A 56 3.669 -1.367 4.091 1.00 0.00 C ATOM 853 C GLN A 56 4.141 -1.959 2.761 1.00 0.00 C ATOM 854 O GLN A 56 4.084 -3.171 2.563 1.00 0.00 O ATOM 855 CB GLN A 56 2.284 -0.733 3.948 1.00 0.00 C ATOM 856 CG GLN A 56 1.714 -0.347 5.314 1.00 0.00 C ATOM 857 CD GLN A 56 1.809 -1.515 6.298 1.00 0.00 C ATOM 858 OE1 GLN A 56 1.118 -2.590 5.930 1.00 0.00 O flip ATOM 859 NE2 GLN A 56 2.467 -1.444 7.324 1.00 0.00 N flip ATOM 0 H GLN A 56 4.231 0.469 4.933 1.00 0.00 H new ATOM 0 HA GLN A 56 3.589 -2.175 4.818 1.00 0.00 H new ATOM 0 HB2 GLN A 56 2.349 0.151 3.314 1.00 0.00 H new ATOM 0 HB3 GLN A 56 1.610 -1.432 3.453 1.00 0.00 H new ATOM 0 HG2 GLN A 56 2.257 0.511 5.709 1.00 0.00 H new ATOM 0 HG3 GLN A 56 0.673 -0.043 5.205 1.00 0.00 H new ATOM 0 HE21 GLN A 56 2.974 -0.587 7.546 1.00 0.00 H new ATOM 0 HE22 GLN A 56 2.509 -2.241 7.959 1.00 0.00 H new ATOM 868 N LEU A 57 4.597 -1.075 1.885 1.00 0.00 N ATOM 869 CA LEU A 57 5.078 -1.495 0.580 1.00 0.00 C ATOM 870 C LEU A 57 6.148 -2.574 0.759 1.00 0.00 C ATOM 871 O LEU A 57 6.015 -3.678 0.233 1.00 0.00 O ATOM 872 CB LEU A 57 5.553 -0.287 -0.230 1.00 0.00 C ATOM 873 CG LEU A 57 6.341 -0.601 -1.503 1.00 0.00 C ATOM 874 CD1 LEU A 57 7.792 -0.958 -1.176 1.00 0.00 C ATOM 875 CD2 LEU A 57 5.651 -1.697 -2.319 1.00 0.00 C ATOM 0 H LEU A 57 4.643 -0.070 2.054 1.00 0.00 H new ATOM 0 HA LEU A 57 4.269 -1.940 0.001 1.00 0.00 H new ATOM 0 HB2 LEU A 57 4.681 0.308 -0.503 1.00 0.00 H new ATOM 0 HB3 LEU A 57 6.174 0.336 0.414 1.00 0.00 H new ATOM 0 HG LEU A 57 6.362 0.296 -2.121 1.00 0.00 H new ATOM 0 HD11 LEU A 57 8.330 -1.177 -2.099 1.00 0.00 H new ATOM 0 HD12 LEU A 57 8.268 -0.119 -0.669 1.00 0.00 H new ATOM 0 HD13 LEU A 57 7.814 -1.833 -0.527 1.00 0.00 H new ATOM 0 HD21 LEU A 57 6.232 -1.901 -3.219 1.00 0.00 H new ATOM 0 HD22 LEU A 57 5.578 -2.605 -1.720 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.651 -1.366 -2.600 1.00 0.00 H new ATOM 887 N PHE A 58 7.185 -2.217 1.503 1.00 0.00 N ATOM 888 CA PHE A 58 8.277 -3.141 1.757 1.00 0.00 C ATOM 889 C PHE A 58 7.747 -4.510 2.189 1.00 0.00 C ATOM 890 O PHE A 58 8.400 -5.529 1.970 1.00 0.00 O ATOM 891 CB PHE A 58 9.109 -2.547 2.896 1.00 0.00 C ATOM 892 CG PHE A 58 10.614 -2.780 2.753 1.00 0.00 C ATOM 893 CD1 PHE A 58 11.096 -4.043 2.607 1.00 0.00 C ATOM 894 CD2 PHE A 58 11.471 -1.724 2.772 1.00 0.00 C ATOM 895 CE1 PHE A 58 12.493 -4.260 2.475 1.00 0.00 C ATOM 896 CE2 PHE A 58 12.868 -1.940 2.640 1.00 0.00 C ATOM 897 CZ PHE A 58 13.350 -3.203 2.494 1.00 0.00 C ATOM 0 H PHE A 58 7.292 -1.301 1.938 1.00 0.00 H new ATOM 0 HA PHE A 58 8.867 -3.279 0.851 1.00 0.00 H new ATOM 0 HB2 PHE A 58 8.921 -1.475 2.949 1.00 0.00 H new ATOM 0 HB3 PHE A 58 8.773 -2.976 3.840 1.00 0.00 H new ATOM 0 HD1 PHE A 58 10.416 -4.882 2.591 1.00 0.00 H new ATOM 0 HD2 PHE A 58 11.089 -0.721 2.888 1.00 0.00 H new ATOM 0 HE1 PHE A 58 12.875 -5.263 2.360 1.00 0.00 H new ATOM 0 HE2 PHE A 58 13.548 -1.101 2.656 1.00 0.00 H new ATOM 0 HZ PHE A 58 14.413 -3.367 2.393 1.00 0.00 H new ATOM 907 N GLU A 59 6.569 -4.489 2.796 1.00 0.00 N ATOM 908 CA GLU A 59 5.945 -5.716 3.260 1.00 0.00 C ATOM 909 C GLU A 59 5.276 -6.445 2.093 1.00 0.00 C ATOM 910 O GLU A 59 5.207 -7.673 2.082 1.00 0.00 O ATOM 911 CB GLU A 59 4.939 -5.430 4.377 1.00 0.00 C ATOM 912 CG GLU A 59 5.584 -5.606 5.753 1.00 0.00 C ATOM 913 CD GLU A 59 5.504 -7.063 6.214 1.00 0.00 C ATOM 914 OE1 GLU A 59 6.173 -7.900 5.569 1.00 0.00 O ATOM 915 OE2 GLU A 59 4.777 -7.308 7.200 1.00 0.00 O ATOM 0 H GLU A 59 6.031 -3.642 2.977 1.00 0.00 H new ATOM 0 HA GLU A 59 6.720 -6.363 3.670 1.00 0.00 H new ATOM 0 HB2 GLU A 59 4.558 -4.414 4.277 1.00 0.00 H new ATOM 0 HB3 GLU A 59 4.085 -6.101 4.283 1.00 0.00 H new ATOM 0 HG2 GLU A 59 6.627 -5.290 5.713 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.084 -4.964 6.478 1.00 0.00 H new ATOM 922 N ILE A 60 4.800 -5.658 1.140 1.00 0.00 N ATOM 923 CA ILE A 60 4.139 -6.214 -0.029 1.00 0.00 C ATOM 924 C ILE A 60 5.136 -7.065 -0.818 1.00 0.00 C ATOM 925 O ILE A 60 4.845 -8.208 -1.163 1.00 0.00 O ATOM 926 CB ILE A 60 3.489 -5.103 -0.856 1.00 0.00 C ATOM 927 CG1 ILE A 60 2.484 -4.311 -0.017 1.00 0.00 C ATOM 928 CG2 ILE A 60 2.854 -5.667 -2.128 1.00 0.00 C ATOM 929 CD1 ILE A 60 1.696 -3.330 -0.887 1.00 0.00 C ATOM 0 H ILE A 60 4.859 -4.640 1.153 1.00 0.00 H new ATOM 0 HA ILE A 60 3.325 -6.874 0.272 1.00 0.00 H new ATOM 0 HB ILE A 60 4.269 -4.407 -1.166 1.00 0.00 H new ATOM 0 HG12 ILE A 60 1.797 -4.997 0.477 1.00 0.00 H new ATOM 0 HG13 ILE A 60 3.009 -3.766 0.767 1.00 0.00 H new ATOM 0 HG21 ILE A 60 2.399 -4.857 -2.698 1.00 0.00 H new ATOM 0 HG22 ILE A 60 3.620 -6.151 -2.734 1.00 0.00 H new ATOM 0 HG23 ILE A 60 2.089 -6.396 -1.860 1.00 0.00 H new ATOM 0 HD11 ILE A 60 0.989 -2.780 -0.266 1.00 0.00 H new ATOM 0 HD12 ILE A 60 2.384 -2.630 -1.361 1.00 0.00 H new ATOM 0 HD13 ILE A 60 1.153 -3.880 -1.655 1.00 0.00 H new ATOM 941 N ASP A 61 6.293 -6.473 -1.079 1.00 0.00 N ATOM 942 CA ASP A 61 7.335 -7.162 -1.820 1.00 0.00 C ATOM 943 C ASP A 61 7.760 -8.414 -1.050 1.00 0.00 C ATOM 944 O ASP A 61 8.256 -9.372 -1.641 1.00 0.00 O ATOM 945 CB ASP A 61 8.568 -6.272 -1.994 1.00 0.00 C ATOM 946 CG ASP A 61 9.527 -6.706 -3.104 1.00 0.00 C ATOM 947 OD1 ASP A 61 9.039 -7.355 -4.054 1.00 0.00 O ATOM 948 OD2 ASP A 61 10.727 -6.379 -2.977 1.00 0.00 O ATOM 0 H ASP A 61 6.531 -5.524 -0.790 1.00 0.00 H new ATOM 0 HA ASP A 61 6.936 -7.421 -2.801 1.00 0.00 H new ATOM 0 HB2 ASP A 61 8.237 -5.254 -2.198 1.00 0.00 H new ATOM 0 HB3 ASP A 61 9.115 -6.246 -1.051 1.00 0.00 H new ATOM 953 N SER A 62 7.551 -8.365 0.257 1.00 0.00 N ATOM 954 CA SER A 62 7.907 -9.483 1.114 1.00 0.00 C ATOM 955 C SER A 62 6.892 -10.616 0.945 1.00 0.00 C ATOM 956 O SER A 62 7.272 -11.775 0.785 1.00 0.00 O ATOM 957 CB SER A 62 7.981 -9.051 2.580 1.00 0.00 C ATOM 958 OG SER A 62 9.237 -9.375 3.169 1.00 0.00 O ATOM 0 H SER A 62 7.140 -7.569 0.744 1.00 0.00 H new ATOM 0 HA SER A 62 8.893 -9.840 0.818 1.00 0.00 H new ATOM 0 HB2 SER A 62 7.814 -7.976 2.650 1.00 0.00 H new ATOM 0 HB3 SER A 62 7.182 -9.535 3.141 1.00 0.00 H new ATOM 0 HG SER A 62 9.245 -9.082 4.104 1.00 0.00 H new ATOM 964 N VAL A 63 5.622 -10.240 0.985 1.00 0.00 N ATOM 965 CA VAL A 63 4.550 -11.210 0.838 1.00 0.00 C ATOM 966 C VAL A 63 4.871 -12.145 -0.330 1.00 0.00 C ATOM 967 O VAL A 63 4.946 -11.707 -1.477 1.00 0.00 O ATOM 968 CB VAL A 63 3.211 -10.489 0.677 1.00 0.00 C ATOM 969 CG1 VAL A 63 2.140 -11.436 0.130 1.00 0.00 C ATOM 970 CG2 VAL A 63 2.764 -9.860 1.998 1.00 0.00 C ATOM 0 H VAL A 63 5.311 -9.277 1.117 1.00 0.00 H new ATOM 0 HA VAL A 63 4.466 -11.826 1.733 1.00 0.00 H new ATOM 0 HB VAL A 63 3.349 -9.685 -0.047 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.198 -10.898 0.025 1.00 0.00 H new ATOM 0 HG12 VAL A 63 2.452 -11.815 -0.843 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.007 -12.271 0.818 1.00 0.00 H new ATOM 0 HG21 VAL A 63 1.809 -9.354 1.855 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.653 -10.639 2.752 1.00 0.00 H new ATOM 0 HG23 VAL A 63 3.511 -9.139 2.329 1.00 0.00 H new ATOM 980 N ASP A 64 5.051 -13.415 0.002 1.00 0.00 N ATOM 981 CA ASP A 64 5.362 -14.415 -1.005 1.00 0.00 C ATOM 982 C ASP A 64 4.119 -14.678 -1.857 1.00 0.00 C ATOM 983 O ASP A 64 3.009 -14.312 -1.472 1.00 0.00 O ATOM 984 CB ASP A 64 5.780 -15.737 -0.358 1.00 0.00 C ATOM 985 CG ASP A 64 6.511 -16.708 -1.287 1.00 0.00 C ATOM 986 OD1 ASP A 64 7.701 -16.443 -1.562 1.00 0.00 O ATOM 987 OD2 ASP A 64 5.864 -17.694 -1.700 1.00 0.00 O ATOM 0 H ASP A 64 4.987 -13.774 0.954 1.00 0.00 H new ATOM 0 HA ASP A 64 6.183 -14.036 -1.614 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.423 -15.520 0.495 1.00 0.00 H new ATOM 0 HB3 ASP A 64 4.890 -16.231 0.032 1.00 0.00 H new ATOM 992 N THR A 65 4.346 -15.310 -2.999 1.00 0.00 N ATOM 993 CA THR A 65 3.258 -15.627 -3.908 1.00 0.00 C ATOM 994 C THR A 65 3.309 -17.103 -4.308 1.00 0.00 C ATOM 995 O THR A 65 2.328 -17.828 -4.146 1.00 0.00 O ATOM 996 CB THR A 65 3.344 -14.671 -5.100 1.00 0.00 C ATOM 997 OG1 THR A 65 4.679 -14.828 -5.574 1.00 0.00 O ATOM 998 CG2 THR A 65 3.269 -13.202 -4.679 1.00 0.00 C ATOM 0 H THR A 65 5.268 -15.611 -3.316 1.00 0.00 H new ATOM 0 HA THR A 65 2.289 -15.486 -3.429 1.00 0.00 H new ATOM 0 HB THR A 65 2.537 -14.890 -5.800 1.00 0.00 H new ATOM 0 HG1 THR A 65 4.822 -14.245 -6.349 1.00 0.00 H new ATOM 0 HG21 THR A 65 3.335 -12.567 -5.562 1.00 0.00 H new ATOM 0 HG22 THR A 65 2.324 -13.018 -4.169 1.00 0.00 H new ATOM 0 HG23 THR A 65 4.095 -12.974 -4.006 1.00 0.00 H new ATOM 1006 N GLU A 66 4.461 -17.503 -4.824 1.00 0.00 N ATOM 1007 CA GLU A 66 4.653 -18.880 -5.248 1.00 0.00 C ATOM 1008 C GLU A 66 3.843 -19.163 -6.515 1.00 0.00 C ATOM 1009 O GLU A 66 3.351 -20.274 -6.706 1.00 0.00 O ATOM 1010 CB GLU A 66 4.281 -19.855 -4.130 1.00 0.00 C ATOM 1011 CG GLU A 66 5.321 -20.970 -4.005 1.00 0.00 C ATOM 1012 CD GLU A 66 4.662 -22.294 -3.614 1.00 0.00 C ATOM 1013 OE1 GLU A 66 4.211 -22.382 -2.451 1.00 0.00 O ATOM 1014 OE2 GLU A 66 4.624 -23.189 -4.486 1.00 0.00 O ATOM 0 H GLU A 66 5.271 -16.898 -4.958 1.00 0.00 H new ATOM 0 HA GLU A 66 5.709 -19.026 -5.475 1.00 0.00 H new ATOM 0 HB2 GLU A 66 4.204 -19.318 -3.185 1.00 0.00 H new ATOM 0 HB3 GLU A 66 3.301 -20.288 -4.331 1.00 0.00 H new ATOM 0 HG2 GLU A 66 5.848 -21.088 -4.952 1.00 0.00 H new ATOM 0 HG3 GLU A 66 6.065 -20.696 -3.258 1.00 0.00 H new ATOM 1021 N GLY A 67 3.729 -18.138 -7.347 1.00 0.00 N ATOM 1022 CA GLY A 67 2.987 -18.262 -8.590 1.00 0.00 C ATOM 1023 C GLY A 67 1.649 -18.968 -8.361 1.00 0.00 C ATOM 1024 O GLY A 67 1.419 -20.056 -8.886 1.00 0.00 O ATOM 0 H GLY A 67 4.138 -17.218 -7.185 1.00 0.00 H new ATOM 0 HA2 GLY A 67 2.813 -17.273 -9.014 1.00 0.00 H new ATOM 0 HA3 GLY A 67 3.578 -18.821 -9.316 1.00 0.00 H new ATOM 1028 N LYS A 68 0.800 -18.319 -7.577 1.00 0.00 N ATOM 1029 CA LYS A 68 -0.509 -18.871 -7.272 1.00 0.00 C ATOM 1030 C LYS A 68 -1.585 -18.027 -7.958 1.00 0.00 C ATOM 1031 O LYS A 68 -2.647 -18.538 -8.312 1.00 0.00 O ATOM 1032 CB LYS A 68 -0.698 -18.997 -5.759 1.00 0.00 C ATOM 1033 CG LYS A 68 0.365 -19.913 -5.148 1.00 0.00 C ATOM 1034 CD LYS A 68 0.240 -19.956 -3.624 1.00 0.00 C ATOM 1035 CE LYS A 68 0.148 -21.398 -3.122 1.00 0.00 C ATOM 1036 NZ LYS A 68 -1.162 -21.988 -3.477 1.00 0.00 N ATOM 0 H LYS A 68 0.993 -17.416 -7.144 1.00 0.00 H new ATOM 0 HA LYS A 68 -0.597 -19.883 -7.666 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -0.642 -18.011 -5.298 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -1.691 -19.393 -5.545 1.00 0.00 H new ATOM 0 HG2 LYS A 68 0.260 -20.919 -5.554 1.00 0.00 H new ATOM 0 HG3 LYS A 68 1.358 -19.559 -5.425 1.00 0.00 H new ATOM 0 HD2 LYS A 68 1.100 -19.464 -3.171 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -0.645 -19.401 -3.312 1.00 0.00 H new ATOM 0 HE2 LYS A 68 0.951 -21.993 -3.557 1.00 0.00 H new ATOM 0 HE3 LYS A 68 0.283 -21.422 -2.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -1.269 -22.907 -3.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -1.924 -21.349 -3.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -1.214 -22.123 -4.507 1.00 0.00 H new ATOM 1050 N GLY A 69 -1.273 -16.751 -8.126 1.00 0.00 N ATOM 1051 CA GLY A 69 -2.201 -15.832 -8.764 1.00 0.00 C ATOM 1052 C GLY A 69 -3.085 -15.138 -7.726 1.00 0.00 C ATOM 1053 O GLY A 69 -3.016 -13.921 -7.560 1.00 0.00 O ATOM 0 H GLY A 69 -0.391 -16.331 -7.832 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -1.646 -15.085 -9.332 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -2.825 -16.374 -9.474 1.00 0.00 H new ATOM 1057 N ASP A 70 -3.897 -15.941 -7.055 1.00 0.00 N ATOM 1058 CA ASP A 70 -4.794 -15.420 -6.038 1.00 0.00 C ATOM 1059 C ASP A 70 -4.071 -14.340 -5.231 1.00 0.00 C ATOM 1060 O ASP A 70 -4.648 -13.300 -4.921 1.00 0.00 O ATOM 1061 CB ASP A 70 -5.230 -16.522 -5.071 1.00 0.00 C ATOM 1062 CG ASP A 70 -5.973 -17.693 -5.717 1.00 0.00 C ATOM 1063 OD1 ASP A 70 -6.852 -17.412 -6.560 1.00 0.00 O ATOM 1064 OD2 ASP A 70 -5.645 -18.843 -5.353 1.00 0.00 O ATOM 0 H ASP A 70 -3.953 -16.950 -7.196 1.00 0.00 H new ATOM 0 HA ASP A 70 -5.672 -15.013 -6.539 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -4.347 -16.908 -4.562 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -5.871 -16.082 -4.307 1.00 0.00 H new ATOM 1069 N ILE A 71 -2.816 -14.626 -4.913 1.00 0.00 N ATOM 1070 CA ILE A 71 -2.008 -13.693 -4.147 1.00 0.00 C ATOM 1071 C ILE A 71 -1.282 -12.747 -5.106 1.00 0.00 C ATOM 1072 O ILE A 71 -1.341 -11.529 -4.946 1.00 0.00 O ATOM 1073 CB ILE A 71 -1.070 -14.446 -3.201 1.00 0.00 C ATOM 1074 CG1 ILE A 71 -1.855 -15.394 -2.292 1.00 0.00 C ATOM 1075 CG2 ILE A 71 -0.200 -13.474 -2.402 1.00 0.00 C ATOM 1076 CD1 ILE A 71 -1.006 -16.604 -1.897 1.00 0.00 C ATOM 0 H ILE A 71 -2.340 -15.490 -5.172 1.00 0.00 H new ATOM 0 HA ILE A 71 -2.641 -13.078 -3.508 1.00 0.00 H new ATOM 0 HB ILE A 71 -0.398 -15.059 -3.802 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -2.175 -14.862 -1.396 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -2.757 -15.730 -2.803 1.00 0.00 H new ATOM 0 HG21 ILE A 71 0.457 -14.035 -1.738 1.00 0.00 H new ATOM 0 HG22 ILE A 71 0.401 -12.876 -3.087 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -0.838 -12.817 -1.811 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.588 -17.261 -1.251 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -0.708 -17.147 -2.794 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.117 -16.266 -1.365 1.00 0.00 H new ATOM 1088 N GLN A 72 -0.615 -13.343 -6.083 1.00 0.00 N ATOM 1089 CA GLN A 72 0.121 -12.569 -7.069 1.00 0.00 C ATOM 1090 C GLN A 72 -0.731 -11.400 -7.569 1.00 0.00 C ATOM 1091 O GLN A 72 -0.200 -10.351 -7.931 1.00 0.00 O ATOM 1092 CB GLN A 72 0.576 -13.453 -8.232 1.00 0.00 C ATOM 1093 CG GLN A 72 2.094 -13.384 -8.411 1.00 0.00 C ATOM 1094 CD GLN A 72 2.463 -12.588 -9.664 1.00 0.00 C ATOM 1095 OE1 GLN A 72 1.615 -12.155 -10.428 1.00 0.00 O ATOM 1096 NE2 GLN A 72 3.771 -12.420 -9.833 1.00 0.00 N ATOM 0 H GLN A 72 -0.569 -14.354 -6.213 1.00 0.00 H new ATOM 0 HA GLN A 72 1.014 -12.165 -6.592 1.00 0.00 H new ATOM 0 HB2 GLN A 72 0.274 -14.484 -8.049 1.00 0.00 H new ATOM 0 HB3 GLN A 72 0.083 -13.134 -9.150 1.00 0.00 H new ATOM 0 HG2 GLN A 72 2.546 -12.920 -7.535 1.00 0.00 H new ATOM 0 HG3 GLN A 72 2.501 -14.392 -8.483 1.00 0.00 H new ATOM 0 HE21 GLN A 72 4.427 -12.809 -9.155 1.00 0.00 H new ATOM 0 HE22 GLN A 72 4.119 -11.902 -10.640 1.00 0.00 H new ATOM 1105 N GLN A 73 -2.037 -11.620 -7.572 1.00 0.00 N ATOM 1106 CA GLN A 73 -2.967 -10.598 -8.022 1.00 0.00 C ATOM 1107 C GLN A 73 -3.126 -9.517 -6.951 1.00 0.00 C ATOM 1108 O GLN A 73 -2.937 -8.333 -7.227 1.00 0.00 O ATOM 1109 CB GLN A 73 -4.321 -11.211 -8.388 1.00 0.00 C ATOM 1110 CG GLN A 73 -4.569 -11.131 -9.895 1.00 0.00 C ATOM 1111 CD GLN A 73 -5.694 -10.145 -10.214 1.00 0.00 C ATOM 1112 OE1 GLN A 73 -6.538 -9.837 -9.388 1.00 0.00 O ATOM 1113 NE2 GLN A 73 -5.660 -9.668 -11.455 1.00 0.00 N ATOM 0 H GLN A 73 -2.474 -12.491 -7.270 1.00 0.00 H new ATOM 0 HA GLN A 73 -2.560 -10.135 -8.921 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -4.352 -12.252 -8.065 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -5.116 -10.688 -7.857 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -3.655 -10.821 -10.402 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -4.827 -12.119 -10.278 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -4.926 -9.967 -12.096 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -6.368 -9.003 -11.765 1.00 0.00 H new ATOM 1122 N ALA A 74 -3.471 -9.963 -5.752 1.00 0.00 N ATOM 1123 CA ALA A 74 -3.657 -9.048 -4.639 1.00 0.00 C ATOM 1124 C ALA A 74 -2.356 -8.284 -4.388 1.00 0.00 C ATOM 1125 O ALA A 74 -2.337 -7.055 -4.419 1.00 0.00 O ATOM 1126 CB ALA A 74 -4.121 -9.830 -3.408 1.00 0.00 C ATOM 0 H ALA A 74 -3.627 -10.946 -5.527 1.00 0.00 H new ATOM 0 HA ALA A 74 -4.429 -8.315 -4.870 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -4.261 -9.144 -2.573 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -5.064 -10.330 -3.629 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -3.369 -10.574 -3.145 1.00 0.00 H new ATOM 1132 N ARG A 75 -1.298 -9.045 -4.146 1.00 0.00 N ATOM 1133 CA ARG A 75 0.005 -8.455 -3.890 1.00 0.00 C ATOM 1134 C ARG A 75 0.328 -7.401 -4.952 1.00 0.00 C ATOM 1135 O ARG A 75 0.485 -6.223 -4.635 1.00 0.00 O ATOM 1136 CB ARG A 75 1.102 -9.522 -3.890 1.00 0.00 C ATOM 1137 CG ARG A 75 2.253 -9.124 -2.964 1.00 0.00 C ATOM 1138 CD ARG A 75 3.602 -9.531 -3.560 1.00 0.00 C ATOM 1139 NE ARG A 75 4.448 -8.333 -3.761 1.00 0.00 N ATOM 1140 CZ ARG A 75 4.401 -7.555 -4.851 1.00 0.00 C ATOM 1141 NH1 ARG A 75 3.549 -7.842 -5.844 1.00 0.00 N ATOM 1142 NH2 ARG A 75 5.207 -6.488 -4.947 1.00 0.00 N ATOM 0 H ARG A 75 -1.317 -10.065 -4.122 1.00 0.00 H new ATOM 0 HA ARG A 75 -0.030 -7.986 -2.907 1.00 0.00 H new ATOM 0 HB2 ARG A 75 0.686 -10.477 -3.569 1.00 0.00 H new ATOM 0 HB3 ARG A 75 1.478 -9.663 -4.903 1.00 0.00 H new ATOM 0 HG2 ARG A 75 2.235 -8.047 -2.798 1.00 0.00 H new ATOM 0 HG3 ARG A 75 2.123 -9.599 -1.992 1.00 0.00 H new ATOM 0 HD2 ARG A 75 4.105 -10.234 -2.896 1.00 0.00 H new ATOM 0 HD3 ARG A 75 3.450 -10.043 -4.510 1.00 0.00 H new ATOM 0 HE ARG A 75 5.108 -8.084 -3.024 1.00 0.00 H new ATOM 0 HH11 ARG A 75 2.935 -8.653 -5.771 1.00 0.00 H new ATOM 0 HH12 ARG A 75 3.514 -7.249 -6.673 1.00 0.00 H new ATOM 0 HH21 ARG A 75 5.855 -6.269 -4.191 1.00 0.00 H new ATOM 0 HH22 ARG A 75 5.172 -5.895 -5.776 1.00 0.00 H new ATOM 1156 N LYS A 76 0.417 -7.863 -6.190 1.00 0.00 N ATOM 1157 CA LYS A 76 0.719 -6.975 -7.300 1.00 0.00 C ATOM 1158 C LYS A 76 -0.310 -5.843 -7.336 1.00 0.00 C ATOM 1159 O LYS A 76 -0.023 -4.754 -7.831 1.00 0.00 O ATOM 1160 CB LYS A 76 0.810 -7.764 -8.608 1.00 0.00 C ATOM 1161 CG LYS A 76 -0.565 -7.898 -9.265 1.00 0.00 C ATOM 1162 CD LYS A 76 -0.672 -7.002 -10.500 1.00 0.00 C ATOM 1163 CE LYS A 76 -2.131 -6.829 -10.928 1.00 0.00 C ATOM 1164 NZ LYS A 76 -2.299 -7.186 -12.354 1.00 0.00 N ATOM 0 H LYS A 76 0.285 -8.841 -6.449 1.00 0.00 H new ATOM 0 HA LYS A 76 1.697 -6.514 -7.164 1.00 0.00 H new ATOM 0 HB2 LYS A 76 1.496 -7.264 -9.291 1.00 0.00 H new ATOM 0 HB3 LYS A 76 1.221 -8.754 -8.412 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -0.737 -8.936 -9.549 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -1.342 -7.630 -8.549 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -0.234 -6.027 -10.285 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -0.098 -7.436 -11.319 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -2.774 -7.457 -10.312 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -2.444 -5.797 -10.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -3.295 -7.063 -12.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -1.700 -6.569 -12.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -2.020 -8.177 -12.499 1.00 0.00 H new ATOM 1178 N ARG A 77 -1.487 -6.139 -6.805 1.00 0.00 N ATOM 1179 CA ARG A 77 -2.559 -5.159 -6.769 1.00 0.00 C ATOM 1180 C ARG A 77 -2.345 -4.179 -5.614 1.00 0.00 C ATOM 1181 O ARG A 77 -2.829 -3.049 -5.657 1.00 0.00 O ATOM 1182 CB ARG A 77 -3.921 -5.839 -6.607 1.00 0.00 C ATOM 1183 CG ARG A 77 -4.522 -6.194 -7.968 1.00 0.00 C ATOM 1184 CD ARG A 77 -5.554 -5.151 -8.401 1.00 0.00 C ATOM 1185 NE ARG A 77 -5.128 -4.511 -9.666 1.00 0.00 N ATOM 1186 CZ ARG A 77 -5.813 -3.540 -10.285 1.00 0.00 C ATOM 1187 NH1 ARG A 77 -6.962 -3.091 -9.760 1.00 0.00 N ATOM 1188 NH2 ARG A 77 -5.351 -3.018 -11.429 1.00 0.00 N ATOM 0 H ARG A 77 -1.722 -7.043 -6.396 1.00 0.00 H new ATOM 0 HA ARG A 77 -2.545 -4.618 -7.715 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -3.811 -6.742 -6.007 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -4.599 -5.178 -6.067 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -3.730 -6.258 -8.714 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -4.992 -7.176 -7.917 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -6.527 -5.624 -8.533 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -5.669 -4.396 -7.623 1.00 0.00 H new ATOM 0 HE ARG A 77 -4.258 -4.829 -10.093 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -7.315 -3.489 -8.889 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -7.483 -2.352 -10.231 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -4.477 -3.360 -11.829 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -5.873 -2.279 -11.900 1.00 0.00 H new ATOM 1202 N ALA A 78 -1.621 -4.648 -4.609 1.00 0.00 N ATOM 1203 CA ALA A 78 -1.337 -3.827 -3.444 1.00 0.00 C ATOM 1204 C ALA A 78 -0.023 -3.075 -3.664 1.00 0.00 C ATOM 1205 O ALA A 78 0.177 -1.993 -3.113 1.00 0.00 O ATOM 1206 CB ALA A 78 -1.301 -4.709 -2.194 1.00 0.00 C ATOM 0 H ALA A 78 -1.222 -5.586 -4.577 1.00 0.00 H new ATOM 0 HA ALA A 78 -2.122 -3.085 -3.297 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -1.088 -4.093 -1.320 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -2.266 -5.199 -2.066 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -0.523 -5.464 -2.304 1.00 0.00 H new ATOM 1212 N ALA A 79 0.839 -3.676 -4.471 1.00 0.00 N ATOM 1213 CA ALA A 79 2.128 -3.076 -4.771 1.00 0.00 C ATOM 1214 C ALA A 79 1.919 -1.840 -5.647 1.00 0.00 C ATOM 1215 O ALA A 79 2.801 -0.988 -5.746 1.00 0.00 O ATOM 1216 CB ALA A 79 3.033 -4.116 -5.436 1.00 0.00 C ATOM 0 H ALA A 79 0.670 -4.573 -4.927 1.00 0.00 H new ATOM 0 HA ALA A 79 2.622 -2.751 -3.855 1.00 0.00 H new ATOM 0 HB1 ALA A 79 4.000 -3.666 -5.661 1.00 0.00 H new ATOM 0 HB2 ALA A 79 3.174 -4.960 -4.761 1.00 0.00 H new ATOM 0 HB3 ALA A 79 2.570 -4.463 -6.360 1.00 0.00 H new ATOM 1222 N GLN A 80 0.746 -1.779 -6.260 1.00 0.00 N ATOM 1223 CA GLN A 80 0.410 -0.661 -7.124 1.00 0.00 C ATOM 1224 C GLN A 80 -0.415 0.374 -6.356 1.00 0.00 C ATOM 1225 O GLN A 80 -0.179 1.575 -6.479 1.00 0.00 O ATOM 1226 CB GLN A 80 -0.335 -1.137 -8.373 1.00 0.00 C ATOM 1227 CG GLN A 80 0.595 -1.927 -9.297 1.00 0.00 C ATOM 1228 CD GLN A 80 -0.115 -2.299 -10.601 1.00 0.00 C ATOM 1229 OE1 GLN A 80 -0.225 -1.511 -11.525 1.00 0.00 O ATOM 1230 NE2 GLN A 80 -0.590 -3.542 -10.623 1.00 0.00 N ATOM 0 H GLN A 80 0.016 -2.486 -6.175 1.00 0.00 H new ATOM 0 HA GLN A 80 1.337 -0.189 -7.451 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -1.180 -1.761 -8.081 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -0.742 -0.279 -8.908 1.00 0.00 H new ATOM 0 HG2 GLN A 80 1.483 -1.335 -9.518 1.00 0.00 H new ATOM 0 HG3 GLN A 80 0.933 -2.832 -8.792 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -0.463 -4.151 -9.814 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -1.081 -3.886 -11.448 1.00 0.00 H new ATOM 1239 N GLU A 81 -1.365 -0.129 -5.582 1.00 0.00 N ATOM 1240 CA GLU A 81 -2.225 0.737 -4.794 1.00 0.00 C ATOM 1241 C GLU A 81 -1.384 1.660 -3.910 1.00 0.00 C ATOM 1242 O GLU A 81 -1.464 2.882 -4.029 1.00 0.00 O ATOM 1243 CB GLU A 81 -3.207 -0.082 -3.954 1.00 0.00 C ATOM 1244 CG GLU A 81 -4.606 0.535 -3.989 1.00 0.00 C ATOM 1245 CD GLU A 81 -5.268 0.470 -2.611 1.00 0.00 C ATOM 1246 OE1 GLU A 81 -4.980 -0.508 -1.888 1.00 0.00 O ATOM 1247 OE2 GLU A 81 -6.047 1.401 -2.311 1.00 0.00 O ATOM 0 H GLU A 81 -1.558 -1.126 -5.484 1.00 0.00 H new ATOM 0 HA GLU A 81 -2.809 1.354 -5.477 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -3.247 -1.105 -4.329 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -2.854 -0.134 -2.924 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -4.542 1.572 -4.317 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -5.222 0.008 -4.718 1.00 0.00 H new ATOM 1254 N THR A 82 -0.596 1.040 -3.044 1.00 0.00 N ATOM 1255 CA THR A 82 0.259 1.790 -2.140 1.00 0.00 C ATOM 1256 C THR A 82 1.032 2.865 -2.907 1.00 0.00 C ATOM 1257 O THR A 82 0.917 4.052 -2.604 1.00 0.00 O ATOM 1258 CB THR A 82 1.164 0.795 -1.411 1.00 0.00 C ATOM 1259 OG1 THR A 82 0.317 0.216 -0.422 1.00 0.00 O ATOM 1260 CG2 THR A 82 2.263 1.488 -0.601 1.00 0.00 C ATOM 0 H THR A 82 -0.532 0.026 -2.949 1.00 0.00 H new ATOM 0 HA THR A 82 -0.327 2.326 -1.393 1.00 0.00 H new ATOM 0 HB THR A 82 1.618 0.119 -2.135 1.00 0.00 H new ATOM 0 HG1 THR A 82 0.259 -0.752 -0.567 1.00 0.00 H new ATOM 0 HG21 THR A 82 2.877 0.737 -0.104 1.00 0.00 H new ATOM 0 HG22 THR A 82 2.887 2.083 -1.268 1.00 0.00 H new ATOM 0 HG23 THR A 82 1.809 2.139 0.146 1.00 0.00 H new ATOM 1268 N GLU A 83 1.802 2.411 -3.885 1.00 0.00 N ATOM 1269 CA GLU A 83 2.593 3.320 -4.698 1.00 0.00 C ATOM 1270 C GLU A 83 1.692 4.371 -5.349 1.00 0.00 C ATOM 1271 O GLU A 83 2.129 5.491 -5.611 1.00 0.00 O ATOM 1272 CB GLU A 83 3.395 2.555 -5.753 1.00 0.00 C ATOM 1273 CG GLU A 83 4.377 1.582 -5.096 1.00 0.00 C ATOM 1274 CD GLU A 83 5.653 2.304 -4.659 1.00 0.00 C ATOM 1275 OE1 GLU A 83 6.423 2.695 -5.563 1.00 0.00 O ATOM 1276 OE2 GLU A 83 5.830 2.449 -3.430 1.00 0.00 O ATOM 0 H GLU A 83 1.895 1.426 -4.133 1.00 0.00 H new ATOM 0 HA GLU A 83 3.304 3.832 -4.049 1.00 0.00 H new ATOM 0 HB2 GLU A 83 2.715 2.006 -6.405 1.00 0.00 H new ATOM 0 HB3 GLU A 83 3.940 3.259 -6.381 1.00 0.00 H new ATOM 0 HG2 GLU A 83 3.906 1.112 -4.232 1.00 0.00 H new ATOM 0 HG3 GLU A 83 4.627 0.784 -5.795 1.00 0.00 H new ATOM 1283 N ARG A 84 0.452 3.973 -5.592 1.00 0.00 N ATOM 1284 CA ARG A 84 -0.514 4.867 -6.207 1.00 0.00 C ATOM 1285 C ARG A 84 -0.755 6.085 -5.313 1.00 0.00 C ATOM 1286 O ARG A 84 -0.828 7.212 -5.801 1.00 0.00 O ATOM 1287 CB ARG A 84 -1.844 4.154 -6.455 1.00 0.00 C ATOM 1288 CG ARG A 84 -2.293 4.319 -7.909 1.00 0.00 C ATOM 1289 CD ARG A 84 -3.674 4.972 -7.986 1.00 0.00 C ATOM 1290 NE ARG A 84 -3.560 6.330 -8.564 1.00 0.00 N ATOM 1291 CZ ARG A 84 -4.541 7.242 -8.537 1.00 0.00 C ATOM 1292 NH1 ARG A 84 -5.714 6.948 -7.961 1.00 0.00 N ATOM 1293 NH2 ARG A 84 -4.348 8.449 -9.087 1.00 0.00 N ATOM 0 H ARG A 84 0.094 3.043 -5.374 1.00 0.00 H new ATOM 0 HA ARG A 84 -0.104 5.190 -7.164 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -1.742 3.094 -6.220 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -2.606 4.556 -5.788 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -1.568 4.928 -8.450 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -2.320 3.345 -8.398 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -4.340 4.363 -8.597 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -4.115 5.027 -6.991 1.00 0.00 H new ATOM 0 HE ARG A 84 -2.680 6.587 -9.011 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -5.861 6.029 -7.543 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -6.461 7.643 -7.941 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -3.455 8.673 -9.526 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -5.094 9.144 -9.067 1.00 0.00 H new ATOM 1307 N LEU A 85 -0.871 5.817 -4.021 1.00 0.00 N ATOM 1308 CA LEU A 85 -1.103 6.877 -3.055 1.00 0.00 C ATOM 1309 C LEU A 85 0.197 7.655 -2.837 1.00 0.00 C ATOM 1310 O LEU A 85 0.213 8.882 -2.931 1.00 0.00 O ATOM 1311 CB LEU A 85 -1.701 6.308 -1.767 1.00 0.00 C ATOM 1312 CG LEU A 85 -3.200 6.005 -1.801 1.00 0.00 C ATOM 1313 CD1 LEU A 85 -3.546 4.842 -0.869 1.00 0.00 C ATOM 1314 CD2 LEU A 85 -4.020 7.258 -1.483 1.00 0.00 C ATOM 0 H LEU A 85 -0.809 4.881 -3.620 1.00 0.00 H new ATOM 0 HA LEU A 85 -1.840 7.584 -3.436 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -1.170 5.389 -1.518 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -1.511 7.014 -0.959 1.00 0.00 H new ATOM 0 HG LEU A 85 -3.463 5.696 -2.813 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -4.618 4.647 -0.912 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -3.002 3.951 -1.182 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -3.265 5.098 0.152 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -5.082 7.015 -1.514 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -3.759 7.621 -0.489 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -3.803 8.031 -2.220 1.00 0.00 H new ATOM 1326 N LEU A 86 1.254 6.911 -2.551 1.00 0.00 N ATOM 1327 CA LEU A 86 2.555 7.515 -2.320 1.00 0.00 C ATOM 1328 C LEU A 86 2.768 8.655 -3.318 1.00 0.00 C ATOM 1329 O LEU A 86 3.420 9.648 -3.002 1.00 0.00 O ATOM 1330 CB LEU A 86 3.654 6.452 -2.356 1.00 0.00 C ATOM 1331 CG LEU A 86 4.521 6.339 -1.100 1.00 0.00 C ATOM 1332 CD1 LEU A 86 5.127 4.940 -0.976 1.00 0.00 C ATOM 1333 CD2 LEU A 86 5.591 7.432 -1.073 1.00 0.00 C ATOM 0 H LEU A 86 1.236 5.894 -2.474 1.00 0.00 H new ATOM 0 HA LEU A 86 2.600 7.952 -1.322 1.00 0.00 H new ATOM 0 HB2 LEU A 86 3.189 5.484 -2.540 1.00 0.00 H new ATOM 0 HB3 LEU A 86 4.305 6.660 -3.205 1.00 0.00 H new ATOM 0 HG LEU A 86 3.883 6.491 -0.229 1.00 0.00 H new ATOM 0 HD11 LEU A 86 5.738 4.887 -0.075 1.00 0.00 H new ATOM 0 HD12 LEU A 86 4.328 4.201 -0.916 1.00 0.00 H new ATOM 0 HD13 LEU A 86 5.747 4.734 -1.848 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.193 7.329 -0.170 1.00 0.00 H new ATOM 0 HD22 LEU A 86 6.232 7.336 -1.950 1.00 0.00 H new ATOM 0 HD23 LEU A 86 5.111 8.411 -1.080 1.00 0.00 H new ATOM 1345 N LYS A 87 2.205 8.472 -4.504 1.00 0.00 N ATOM 1346 CA LYS A 87 2.326 9.472 -5.551 1.00 0.00 C ATOM 1347 C LYS A 87 1.523 10.714 -5.159 1.00 0.00 C ATOM 1348 O LYS A 87 2.064 11.818 -5.109 1.00 0.00 O ATOM 1349 CB LYS A 87 1.923 8.883 -6.904 1.00 0.00 C ATOM 1350 CG LYS A 87 2.861 7.742 -7.306 1.00 0.00 C ATOM 1351 CD LYS A 87 4.024 8.260 -8.153 1.00 0.00 C ATOM 1352 CE LYS A 87 4.456 7.218 -9.187 1.00 0.00 C ATOM 1353 NZ LYS A 87 5.789 6.672 -8.847 1.00 0.00 N ATOM 0 H LYS A 87 1.664 7.647 -4.762 1.00 0.00 H new ATOM 0 HA LYS A 87 3.365 9.784 -5.661 1.00 0.00 H new ATOM 0 HB2 LYS A 87 0.898 8.516 -6.854 1.00 0.00 H new ATOM 0 HB3 LYS A 87 1.945 9.663 -7.665 1.00 0.00 H new ATOM 0 HG2 LYS A 87 3.247 7.252 -6.412 1.00 0.00 H new ATOM 0 HG3 LYS A 87 2.305 6.990 -7.866 1.00 0.00 H new ATOM 0 HD2 LYS A 87 3.729 9.179 -8.659 1.00 0.00 H new ATOM 0 HD3 LYS A 87 4.867 8.508 -7.507 1.00 0.00 H new ATOM 0 HE2 LYS A 87 3.725 6.411 -9.226 1.00 0.00 H new ATOM 0 HE3 LYS A 87 4.484 7.670 -10.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 6.067 5.966 -9.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 6.487 7.443 -8.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 5.751 6.222 -7.910 1.00 0.00 H new ATOM 1367 N GLU A 88 0.245 10.493 -4.889 1.00 0.00 N ATOM 1368 CA GLU A 88 -0.638 11.581 -4.503 1.00 0.00 C ATOM 1369 C GLU A 88 -0.072 12.317 -3.287 1.00 0.00 C ATOM 1370 O GLU A 88 -0.316 13.509 -3.110 1.00 0.00 O ATOM 1371 CB GLU A 88 -2.052 11.067 -4.223 1.00 0.00 C ATOM 1372 CG GLU A 88 -2.613 10.321 -5.436 1.00 0.00 C ATOM 1373 CD GLU A 88 -3.743 11.116 -6.093 1.00 0.00 C ATOM 1374 OE1 GLU A 88 -3.420 12.145 -6.725 1.00 0.00 O ATOM 1375 OE2 GLU A 88 -4.905 10.678 -5.948 1.00 0.00 O ATOM 0 H GLU A 88 -0.201 9.576 -4.930 1.00 0.00 H new ATOM 0 HA GLU A 88 -0.700 12.284 -5.333 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -2.037 10.404 -3.358 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -2.704 11.904 -3.972 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -1.817 10.147 -6.160 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -2.983 9.343 -5.127 1.00 0.00 H new ATOM 1382 N LEU A 89 0.673 11.575 -2.480 1.00 0.00 N ATOM 1383 CA LEU A 89 1.276 12.143 -1.286 1.00 0.00 C ATOM 1384 C LEU A 89 2.097 13.375 -1.670 1.00 0.00 C ATOM 1385 O LEU A 89 1.842 14.474 -1.180 1.00 0.00 O ATOM 1386 CB LEU A 89 2.078 11.079 -0.533 1.00 0.00 C ATOM 1387 CG LEU A 89 2.307 11.342 0.956 1.00 0.00 C ATOM 1388 CD1 LEU A 89 1.068 11.966 1.600 1.00 0.00 C ATOM 1389 CD2 LEU A 89 2.746 10.065 1.677 1.00 0.00 C ATOM 0 H LEU A 89 0.873 10.586 -2.630 1.00 0.00 H new ATOM 0 HA LEU A 89 0.505 12.478 -0.593 1.00 0.00 H new ATOM 0 HB2 LEU A 89 1.565 10.123 -0.638 1.00 0.00 H new ATOM 0 HB3 LEU A 89 3.049 10.974 -1.017 1.00 0.00 H new ATOM 0 HG LEU A 89 3.118 12.063 1.054 1.00 0.00 H new ATOM 0 HD11 LEU A 89 1.258 12.143 2.659 1.00 0.00 H new ATOM 0 HD12 LEU A 89 0.840 12.912 1.109 1.00 0.00 H new ATOM 0 HD13 LEU A 89 0.221 11.288 1.492 1.00 0.00 H new ATOM 0 HD21 LEU A 89 2.902 10.279 2.734 1.00 0.00 H new ATOM 0 HD22 LEU A 89 1.973 9.304 1.571 1.00 0.00 H new ATOM 0 HD23 LEU A 89 3.676 9.701 1.239 1.00 0.00 H new ATOM 1401 N GLU A 90 3.066 13.151 -2.545 1.00 0.00 N ATOM 1402 CA GLU A 90 3.927 14.229 -3.001 1.00 0.00 C ATOM 1403 C GLU A 90 3.086 15.434 -3.429 1.00 0.00 C ATOM 1404 O GLU A 90 3.289 16.543 -2.937 1.00 0.00 O ATOM 1405 CB GLU A 90 4.835 13.762 -4.141 1.00 0.00 C ATOM 1406 CG GLU A 90 6.276 13.589 -3.658 1.00 0.00 C ATOM 1407 CD GLU A 90 7.270 14.066 -4.718 1.00 0.00 C ATOM 1408 OE1 GLU A 90 7.057 13.711 -5.897 1.00 0.00 O ATOM 1409 OE2 GLU A 90 8.222 14.776 -4.326 1.00 0.00 O ATOM 0 H GLU A 90 3.274 12.239 -2.951 1.00 0.00 H new ATOM 0 HA GLU A 90 4.567 14.532 -2.172 1.00 0.00 H new ATOM 0 HB2 GLU A 90 4.466 12.818 -4.541 1.00 0.00 H new ATOM 0 HB3 GLU A 90 4.805 14.487 -4.955 1.00 0.00 H new ATOM 0 HG2 GLU A 90 6.424 14.151 -2.736 1.00 0.00 H new ATOM 0 HG3 GLU A 90 6.462 12.540 -3.425 1.00 0.00 H new ATOM 1416 N GLN A 91 2.160 15.176 -4.340 1.00 0.00 N ATOM 1417 CA GLN A 91 1.288 16.225 -4.840 1.00 0.00 C ATOM 1418 C GLN A 91 0.478 16.832 -3.693 1.00 0.00 C ATOM 1419 O GLN A 91 0.659 17.999 -3.349 1.00 0.00 O ATOM 1420 CB GLN A 91 0.368 15.696 -5.941 1.00 0.00 C ATOM 1421 CG GLN A 91 0.399 16.609 -7.168 1.00 0.00 C ATOM 1422 CD GLN A 91 -0.744 16.276 -8.129 1.00 0.00 C ATOM 1423 OE1 GLN A 91 -0.664 15.365 -8.937 1.00 0.00 O ATOM 1424 NE2 GLN A 91 -1.808 17.062 -7.998 1.00 0.00 N ATOM 0 H GLN A 91 1.994 14.255 -4.745 1.00 0.00 H new ATOM 0 HA GLN A 91 1.908 17.008 -5.276 1.00 0.00 H new ATOM 0 HB2 GLN A 91 0.676 14.690 -6.224 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -0.652 15.623 -5.563 1.00 0.00 H new ATOM 0 HG2 GLN A 91 0.322 17.650 -6.853 1.00 0.00 H new ATOM 0 HG3 GLN A 91 1.354 16.501 -7.682 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -1.809 17.807 -7.301 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -2.623 16.920 -8.594 1.00 0.00 H new ATOM 1433 N ASN A 92 -0.400 16.013 -3.132 1.00 0.00 N ATOM 1434 CA ASN A 92 -1.239 16.454 -2.031 1.00 0.00 C ATOM 1435 C ASN A 92 -0.407 17.309 -1.073 1.00 0.00 C ATOM 1436 O ASN A 92 -0.899 18.298 -0.531 1.00 0.00 O ATOM 1437 CB ASN A 92 -1.789 15.262 -1.246 1.00 0.00 C ATOM 1438 CG ASN A 92 -3.112 14.777 -1.841 1.00 0.00 C ATOM 1439 OD1 ASN A 92 -4.131 15.445 -1.782 1.00 0.00 O ATOM 1440 ND2 ASN A 92 -3.040 13.580 -2.416 1.00 0.00 N ATOM 0 H ASN A 92 -0.548 15.046 -3.420 1.00 0.00 H new ATOM 0 HA ASN A 92 -2.069 17.025 -2.447 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -1.062 14.449 -1.255 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -1.937 15.545 -0.204 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -3.870 13.168 -2.842 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -2.155 13.074 -2.431 1.00 0.00 H new ATOM 1447 N ALA A 93 0.839 16.897 -0.893 1.00 0.00 N ATOM 1448 CA ALA A 93 1.744 17.613 -0.010 1.00 0.00 C ATOM 1449 C ALA A 93 1.541 19.119 -0.190 1.00 0.00 C ATOM 1450 O ALA A 93 0.965 19.779 0.673 1.00 0.00 O ATOM 1451 CB ALA A 93 3.184 17.180 -0.293 1.00 0.00 C ATOM 0 H ALA A 93 1.243 16.076 -1.344 1.00 0.00 H new ATOM 0 HA ALA A 93 1.531 17.374 1.032 1.00 0.00 H new ATOM 0 HB1 ALA A 93 3.862 17.717 0.370 1.00 0.00 H new ATOM 0 HB2 ALA A 93 3.282 16.108 -0.121 1.00 0.00 H new ATOM 0 HB3 ALA A 93 3.435 17.406 -1.330 1.00 0.00 H new ATOM 1457 N SER A 94 2.026 19.617 -1.318 1.00 0.00 N ATOM 1458 CA SER A 94 1.905 21.033 -1.623 1.00 0.00 C ATOM 1459 C SER A 94 2.502 21.324 -3.001 1.00 0.00 C ATOM 1460 O SER A 94 1.975 22.146 -3.749 1.00 0.00 O ATOM 1461 CB SER A 94 2.593 21.887 -0.556 1.00 0.00 C ATOM 1462 OG SER A 94 2.171 23.247 -0.606 1.00 0.00 O ATOM 0 H SER A 94 2.503 19.066 -2.031 1.00 0.00 H new ATOM 0 HA SER A 94 0.846 21.292 -1.630 1.00 0.00 H new ATOM 0 HB2 SER A 94 2.378 21.477 0.431 1.00 0.00 H new ATOM 0 HB3 SER A 94 3.673 21.837 -0.693 1.00 0.00 H new ATOM 0 HG SER A 94 2.632 23.758 0.092 1.00 0.00 H new