USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 610 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 40 GLN : amide:sc= -0.139 K(o=-0.36,f=-2.5!) USER MOD Set 1.2: A 78 HIS :FLIP no HE2:sc= 0.108 F(o=-2.8,f=-0.36) USER MOD Set 1.3: A 82 GLN :FLIP amide:sc= -0.326 F(o=-1.5,f=-0.36) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 THR OG1 : rot 78:sc= 0.583 USER MOD Single : A 19 GLN : amide:sc= -0.109 X(o=-0.11,f=0) USER MOD Single : A 21 CYS SG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0.0911 USER MOD Single : A 26 GLN : amide:sc= -0.101 K(o=-0.1,f=-2!) USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.0384 USER MOD Single : A 31 SER OG : rot 180:sc= -0.0616 USER MOD Single : A 37 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot -170:sc= -1.03 USER MOD Single : A 47 GLN : amide:sc= -0.508 K(o=-0.51,f=-6.1!) USER MOD Single : A 49 CYS SG : rot -123:sc= 1.01 USER MOD Single : A 56 ASN : amide:sc= -3.09! C(o=-3.1!,f=-5.6!) USER MOD Single : A 62 HIS : no HD1:sc= -0.0607 X(o=-0.061,f=0) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 GLN : amide:sc= -0.398 X(o=-0.4,f=-0.00054) USER MOD Single : A 68 GLN : amide:sc= -1.91 K(o=-1.9,f=-2.6!) USER MOD Single : A 71 GLN : amide:sc= -0.21 X(o=-0.21,f=-0.012) USER MOD ----------------------------------------------------------------- ATOM 191 N GLY A 12 -9.894 1.418 -5.882 1.00 0.00 N ATOM 192 CA GLY A 12 -10.999 0.857 -5.128 1.00 0.00 C ATOM 193 C GLY A 12 -10.535 -0.002 -3.968 1.00 0.00 C ATOM 194 O GLY A 12 -10.984 0.176 -2.836 1.00 0.00 O ATOM 0 HA2 GLY A 12 -11.624 1.666 -4.749 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -11.621 0.258 -5.793 1.00 0.00 H new ATOM 198 N GLN A 13 -9.635 -0.938 -4.251 1.00 0.00 N ATOM 199 CA GLN A 13 -9.110 -1.829 -3.222 1.00 0.00 C ATOM 200 C GLN A 13 -8.379 -1.040 -2.140 1.00 0.00 C ATOM 201 O GLN A 13 -8.501 -1.338 -0.951 1.00 0.00 O ATOM 202 CB GLN A 13 -8.168 -2.862 -3.845 1.00 0.00 C ATOM 203 CG GLN A 13 -8.815 -4.219 -4.066 1.00 0.00 C ATOM 204 CD GLN A 13 -8.385 -5.244 -3.035 1.00 0.00 C ATOM 205 OE1 GLN A 13 -7.373 -5.925 -3.203 1.00 0.00 O ATOM 206 NE2 GLN A 13 -9.155 -5.360 -1.959 1.00 0.00 N ATOM 0 H GLN A 13 -9.254 -1.099 -5.183 1.00 0.00 H new ATOM 0 HA GLN A 13 -9.951 -2.347 -2.761 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -7.806 -2.482 -4.800 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -7.298 -2.984 -3.200 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -9.899 -4.110 -4.035 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -8.560 -4.581 -5.062 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -9.985 -4.775 -1.860 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -8.916 -6.034 -1.231 1.00 0.00 H new ATOM 215 N LEU A 14 -7.619 -0.034 -2.558 1.00 0.00 N ATOM 216 CA LEU A 14 -6.868 0.796 -1.624 1.00 0.00 C ATOM 217 C LEU A 14 -7.809 1.611 -0.742 1.00 0.00 C ATOM 218 O LEU A 14 -7.638 1.673 0.475 1.00 0.00 O ATOM 219 CB LEU A 14 -5.926 1.733 -2.383 1.00 0.00 C ATOM 220 CG LEU A 14 -5.043 2.616 -1.500 1.00 0.00 C ATOM 221 CD1 LEU A 14 -4.054 1.767 -0.717 1.00 0.00 C ATOM 222 CD2 LEU A 14 -4.311 3.649 -2.344 1.00 0.00 C ATOM 0 H LEU A 14 -7.507 0.226 -3.538 1.00 0.00 H new ATOM 0 HA LEU A 14 -6.279 0.137 -0.986 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -5.284 1.134 -3.029 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -6.522 2.375 -3.032 1.00 0.00 H new ATOM 0 HG LEU A 14 -5.681 3.142 -0.790 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.434 2.412 -0.094 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -4.598 1.065 -0.084 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.420 1.214 -1.410 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.687 4.269 -1.700 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.684 3.142 -3.077 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.037 4.277 -2.860 1.00 0.00 H new ATOM 234 N ALA A 15 -8.803 2.234 -1.367 1.00 0.00 N ATOM 235 CA ALA A 15 -9.772 3.047 -0.642 1.00 0.00 C ATOM 236 C ALA A 15 -10.513 2.219 0.402 1.00 0.00 C ATOM 237 O ALA A 15 -10.687 2.651 1.542 1.00 0.00 O ATOM 238 CB ALA A 15 -10.758 3.679 -1.613 1.00 0.00 C ATOM 0 H ALA A 15 -8.958 2.191 -2.374 1.00 0.00 H new ATOM 0 HA ALA A 15 -9.231 3.837 -0.122 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -11.477 4.284 -1.060 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -10.219 4.311 -2.319 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -11.286 2.896 -2.157 1.00 0.00 H new ATOM 244 N THR A 16 -10.949 1.028 0.006 1.00 0.00 N ATOM 245 CA THR A 16 -11.673 0.139 0.907 1.00 0.00 C ATOM 246 C THR A 16 -10.761 -0.376 2.016 1.00 0.00 C ATOM 247 O THR A 16 -11.171 -0.480 3.172 1.00 0.00 O ATOM 248 CB THR A 16 -12.264 -1.037 0.130 1.00 0.00 C ATOM 249 OG1 THR A 16 -13.084 -0.577 -0.930 1.00 0.00 O ATOM 250 CG2 THR A 16 -13.100 -1.963 0.988 1.00 0.00 C ATOM 0 H THR A 16 -10.813 0.656 -0.934 1.00 0.00 H new ATOM 0 HA THR A 16 -12.483 0.708 1.364 1.00 0.00 H new ATOM 0 HB THR A 16 -11.406 -1.593 -0.247 1.00 0.00 H new ATOM 0 HG1 THR A 16 -12.520 -0.276 -1.673 1.00 0.00 H new ATOM 0 HG21 THR A 16 -13.489 -2.775 0.374 1.00 0.00 H new ATOM 0 HG22 THR A 16 -12.483 -2.375 1.787 1.00 0.00 H new ATOM 0 HG23 THR A 16 -13.931 -1.406 1.422 1.00 0.00 H new ATOM 258 N LEU A 17 -9.523 -0.699 1.656 1.00 0.00 N ATOM 259 CA LEU A 17 -8.554 -1.205 2.621 1.00 0.00 C ATOM 260 C LEU A 17 -8.153 -0.118 3.614 1.00 0.00 C ATOM 261 O LEU A 17 -7.948 -0.389 4.797 1.00 0.00 O ATOM 262 CB LEU A 17 -7.313 -1.735 1.899 1.00 0.00 C ATOM 263 CG LEU A 17 -6.301 -2.453 2.793 1.00 0.00 C ATOM 264 CD1 LEU A 17 -6.907 -3.721 3.374 1.00 0.00 C ATOM 265 CD2 LEU A 17 -5.035 -2.774 2.012 1.00 0.00 C ATOM 0 H LEU A 17 -9.167 -0.619 0.703 1.00 0.00 H new ATOM 0 HA LEU A 17 -9.022 -2.020 3.173 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -7.633 -2.421 1.115 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -6.813 -0.900 1.408 1.00 0.00 H new ATOM 0 HG LEU A 17 -6.038 -1.790 3.617 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -6.172 -4.218 4.007 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -7.785 -3.466 3.968 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -7.199 -4.389 2.564 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -4.326 -3.285 2.663 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -5.282 -3.418 1.168 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -4.590 -1.849 1.645 1.00 0.00 H new ATOM 277 N ARG A 18 -8.040 1.112 3.124 1.00 0.00 N ATOM 278 CA ARG A 18 -7.662 2.239 3.969 1.00 0.00 C ATOM 279 C ARG A 18 -8.815 2.649 4.881 1.00 0.00 C ATOM 280 O ARG A 18 -8.598 3.140 5.989 1.00 0.00 O ATOM 281 CB ARG A 18 -7.225 3.426 3.107 1.00 0.00 C ATOM 282 CG ARG A 18 -5.725 3.675 3.134 1.00 0.00 C ATOM 283 CD ARG A 18 -5.203 4.109 1.773 1.00 0.00 C ATOM 284 NE ARG A 18 -4.879 5.534 1.741 1.00 0.00 N ATOM 285 CZ ARG A 18 -5.771 6.494 1.502 1.00 0.00 C ATOM 286 NH1 ARG A 18 -7.044 6.190 1.285 1.00 0.00 N ATOM 287 NH2 ARG A 18 -5.387 7.763 1.483 1.00 0.00 N ATOM 0 H ARG A 18 -8.205 1.354 2.147 1.00 0.00 H new ATOM 0 HA ARG A 18 -6.825 1.928 4.594 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -7.538 3.252 2.078 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -7.741 4.323 3.450 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -5.497 4.443 3.873 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -5.211 2.767 3.448 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -4.314 3.529 1.524 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -5.951 3.890 1.011 1.00 0.00 H new ATOM 0 HE ARG A 18 -3.912 5.810 1.912 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -7.345 5.216 1.301 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -7.721 6.931 1.103 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -4.410 8.003 1.651 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -6.069 8.499 1.300 1.00 0.00 H new ATOM 301 N GLN A 19 -10.041 2.444 4.409 1.00 0.00 N ATOM 302 CA GLN A 19 -11.225 2.793 5.184 1.00 0.00 C ATOM 303 C GLN A 19 -11.521 1.729 6.236 1.00 0.00 C ATOM 304 O GLN A 19 -11.987 2.039 7.333 1.00 0.00 O ATOM 305 CB GLN A 19 -12.434 2.964 4.261 1.00 0.00 C ATOM 306 CG GLN A 19 -13.383 4.067 4.701 1.00 0.00 C ATOM 307 CD GLN A 19 -14.839 3.702 4.487 1.00 0.00 C ATOM 308 OE1 GLN A 19 -15.685 3.944 5.348 1.00 0.00 O ATOM 309 NE2 GLN A 19 -15.139 3.115 3.334 1.00 0.00 N ATOM 0 H GLN A 19 -10.240 2.038 3.494 1.00 0.00 H new ATOM 0 HA GLN A 19 -11.029 3.737 5.693 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -12.083 3.179 3.252 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -12.981 2.022 4.214 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -13.218 4.284 5.756 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -13.156 4.979 4.149 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -14.406 2.933 2.648 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -16.102 2.846 3.134 1.00 0.00 H new ATOM 318 N ARG A 20 -11.246 0.474 5.895 1.00 0.00 N ATOM 319 CA ARG A 20 -11.482 -0.636 6.811 1.00 0.00 C ATOM 320 C ARG A 20 -10.340 -0.767 7.814 1.00 0.00 C ATOM 321 O ARG A 20 -10.565 -1.032 8.996 1.00 0.00 O ATOM 322 CB ARG A 20 -11.647 -1.942 6.029 1.00 0.00 C ATOM 323 CG ARG A 20 -13.088 -2.417 5.939 1.00 0.00 C ATOM 324 CD ARG A 20 -13.170 -3.884 5.546 1.00 0.00 C ATOM 325 NE ARG A 20 -14.082 -4.631 6.409 1.00 0.00 N ATOM 326 CZ ARG A 20 -14.586 -5.823 6.099 1.00 0.00 C ATOM 327 NH1 ARG A 20 -14.272 -6.406 4.948 1.00 0.00 N ATOM 328 NH2 ARG A 20 -15.407 -6.435 6.941 1.00 0.00 N ATOM 0 H ARG A 20 -10.860 0.200 4.991 1.00 0.00 H new ATOM 0 HA ARG A 20 -12.400 -0.433 7.362 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -11.254 -1.805 5.021 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -11.046 -2.718 6.503 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -13.581 -2.269 6.900 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -13.626 -1.813 5.208 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -13.503 -3.964 4.511 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -12.176 -4.329 5.597 1.00 0.00 H new ATOM 0 HE ARG A 20 -14.348 -4.215 7.301 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -13.641 -5.940 4.296 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -14.662 -7.320 4.716 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -15.652 -5.992 7.827 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -15.793 -7.349 6.703 1.00 0.00 H new ATOM 342 N CYS A 21 -9.114 -0.582 7.335 1.00 0.00 N ATOM 343 CA CYS A 21 -7.936 -0.681 8.190 1.00 0.00 C ATOM 344 C CYS A 21 -7.553 0.679 8.771 1.00 0.00 C ATOM 345 O CYS A 21 -6.456 0.847 9.304 1.00 0.00 O ATOM 346 CB CYS A 21 -6.759 -1.259 7.402 1.00 0.00 C ATOM 347 SG CYS A 21 -7.032 -2.940 6.795 1.00 0.00 S ATOM 0 H CYS A 21 -8.910 -0.363 6.360 1.00 0.00 H new ATOM 0 HA CYS A 21 -8.180 -1.347 9.018 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -6.549 -0.608 6.554 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -5.873 -1.253 8.036 1.00 0.00 H new ATOM 0 HG CYS A 21 -5.983 -3.341 6.140 1.00 0.00 H new ATOM 353 N ALA A 22 -8.458 1.649 8.666 1.00 0.00 N ATOM 354 CA ALA A 22 -8.202 2.988 9.183 1.00 0.00 C ATOM 355 C ALA A 22 -8.082 2.976 10.705 1.00 0.00 C ATOM 356 O ALA A 22 -7.044 3.342 11.256 1.00 0.00 O ATOM 357 CB ALA A 22 -9.302 3.943 8.742 1.00 0.00 C ATOM 0 H ALA A 22 -9.372 1.532 8.229 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.252 3.334 8.775 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -9.098 4.939 9.135 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -9.335 3.982 7.653 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -10.262 3.593 9.122 1.00 0.00 H new ATOM 363 N PRO A 23 -9.147 2.554 11.410 1.00 0.00 N ATOM 364 CA PRO A 23 -9.154 2.498 12.874 1.00 0.00 C ATOM 365 C PRO A 23 -8.445 1.259 13.417 1.00 0.00 C ATOM 366 O PRO A 23 -9.015 0.504 14.205 1.00 0.00 O ATOM 367 CB PRO A 23 -10.645 2.446 13.200 1.00 0.00 C ATOM 368 CG PRO A 23 -11.250 1.723 12.046 1.00 0.00 C ATOM 369 CD PRO A 23 -10.431 2.100 10.837 1.00 0.00 C ATOM 0 HA PRO A 23 -8.625 3.339 13.322 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -10.829 1.922 14.138 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -11.064 3.447 13.306 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -11.231 0.645 12.209 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -12.294 2.007 11.913 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -10.293 1.251 10.167 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -10.912 2.888 10.258 1.00 0.00 H new ATOM 377 N VAL A 24 -7.202 1.054 12.992 1.00 0.00 N ATOM 378 CA VAL A 24 -6.423 -0.096 13.438 1.00 0.00 C ATOM 379 C VAL A 24 -5.111 0.331 14.098 1.00 0.00 C ATOM 380 O VAL A 24 -4.283 -0.511 14.444 1.00 0.00 O ATOM 381 CB VAL A 24 -6.107 -1.045 12.267 1.00 0.00 C ATOM 382 CG1 VAL A 24 -5.477 -2.332 12.776 1.00 0.00 C ATOM 383 CG2 VAL A 24 -7.366 -1.340 11.466 1.00 0.00 C ATOM 0 H VAL A 24 -6.713 1.668 12.340 1.00 0.00 H new ATOM 0 HA VAL A 24 -7.036 -0.618 14.173 1.00 0.00 H new ATOM 0 HB VAL A 24 -5.391 -0.554 11.609 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -5.261 -2.989 11.934 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -4.551 -2.100 13.302 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -6.167 -2.830 13.457 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -7.124 -2.012 10.643 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -8.107 -1.810 12.113 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -7.770 -0.409 11.068 1.00 0.00 H new ATOM 393 N SER A 25 -4.924 1.637 14.269 1.00 0.00 N ATOM 394 CA SER A 25 -3.710 2.159 14.886 1.00 0.00 C ATOM 395 C SER A 25 -3.588 1.696 16.335 1.00 0.00 C ATOM 396 O SER A 25 -2.484 1.550 16.859 1.00 0.00 O ATOM 397 CB SER A 25 -3.698 3.688 14.826 1.00 0.00 C ATOM 398 OG SER A 25 -5.016 4.207 14.802 1.00 0.00 O ATOM 0 H SER A 25 -5.597 2.351 13.989 1.00 0.00 H new ATOM 0 HA SER A 25 -2.857 1.772 14.328 1.00 0.00 H new ATOM 0 HB2 SER A 25 -3.163 4.085 15.689 1.00 0.00 H new ATOM 0 HB3 SER A 25 -3.158 4.016 13.938 1.00 0.00 H new ATOM 0 HG SER A 25 -4.982 5.186 14.765 1.00 0.00 H new ATOM 404 N GLN A 26 -4.729 1.469 16.979 1.00 0.00 N ATOM 405 CA GLN A 26 -4.747 1.027 18.369 1.00 0.00 C ATOM 406 C GLN A 26 -4.326 -0.436 18.486 1.00 0.00 C ATOM 407 O GLN A 26 -3.750 -0.846 19.494 1.00 0.00 O ATOM 408 CB GLN A 26 -6.142 1.218 18.968 1.00 0.00 C ATOM 409 CG GLN A 26 -7.255 0.621 18.122 1.00 0.00 C ATOM 410 CD GLN A 26 -8.521 0.371 18.919 1.00 0.00 C ATOM 411 OE1 GLN A 26 -8.509 0.398 20.149 1.00 0.00 O ATOM 412 NE2 GLN A 26 -9.622 0.126 18.219 1.00 0.00 N ATOM 0 H GLN A 26 -5.652 1.584 16.561 1.00 0.00 H new ATOM 0 HA GLN A 26 -4.033 1.635 18.924 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -6.168 0.765 19.959 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -6.329 2.284 19.100 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -7.478 1.294 17.294 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -6.912 -0.318 17.687 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -9.586 0.113 17.200 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -10.504 -0.049 18.700 1.00 0.00 H new ATOM 421 N PHE A 27 -4.619 -1.218 17.452 1.00 0.00 N ATOM 422 CA PHE A 27 -4.271 -2.636 17.444 1.00 0.00 C ATOM 423 C PHE A 27 -3.374 -2.975 16.256 1.00 0.00 C ATOM 424 O PHE A 27 -3.357 -4.112 15.784 1.00 0.00 O ATOM 425 CB PHE A 27 -5.540 -3.491 17.403 1.00 0.00 C ATOM 426 CG PHE A 27 -5.843 -4.177 18.705 1.00 0.00 C ATOM 427 CD1 PHE A 27 -5.807 -3.473 19.898 1.00 0.00 C ATOM 428 CD2 PHE A 27 -6.163 -5.525 18.736 1.00 0.00 C ATOM 429 CE1 PHE A 27 -6.085 -4.101 21.098 1.00 0.00 C ATOM 430 CE2 PHE A 27 -6.442 -6.158 19.932 1.00 0.00 C ATOM 431 CZ PHE A 27 -6.403 -5.445 21.115 1.00 0.00 C ATOM 0 H PHE A 27 -5.096 -0.895 16.610 1.00 0.00 H new ATOM 0 HA PHE A 27 -3.721 -2.854 18.360 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -6.385 -2.860 17.129 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -5.437 -4.243 16.621 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -5.559 -2.422 19.890 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -6.195 -6.087 17.814 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -6.054 -3.541 22.021 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -6.690 -7.209 19.942 1.00 0.00 H new ATOM 0 HZ PHE A 27 -6.621 -5.938 22.051 1.00 0.00 H new ATOM 441 N ALA A 28 -2.630 -1.983 15.777 1.00 0.00 N ATOM 442 CA ALA A 28 -1.734 -2.180 14.644 1.00 0.00 C ATOM 443 C ALA A 28 -0.451 -2.886 15.069 1.00 0.00 C ATOM 444 O ALA A 28 0.271 -2.411 15.946 1.00 0.00 O ATOM 445 CB ALA A 28 -1.410 -0.844 13.992 1.00 0.00 C ATOM 0 H ALA A 28 -2.630 -1.036 16.156 1.00 0.00 H new ATOM 0 HA ALA A 28 -2.242 -2.816 13.919 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -0.740 -1.004 13.147 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -2.331 -0.377 13.642 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -0.927 -0.192 14.719 1.00 0.00 H new ATOM 451 N THR A 29 -0.171 -4.023 14.440 1.00 0.00 N ATOM 452 CA THR A 29 1.026 -4.796 14.750 1.00 0.00 C ATOM 453 C THR A 29 1.523 -5.545 13.517 1.00 0.00 C ATOM 454 O THR A 29 0.774 -6.296 12.892 1.00 0.00 O ATOM 455 CB THR A 29 0.742 -5.783 15.883 1.00 0.00 C ATOM 456 OG1 THR A 29 0.239 -5.108 17.022 1.00 0.00 O ATOM 457 CG2 THR A 29 1.964 -6.565 16.315 1.00 0.00 C ATOM 0 H THR A 29 -0.758 -4.430 13.712 1.00 0.00 H new ATOM 0 HA THR A 29 1.804 -4.103 15.070 1.00 0.00 H new ATOM 0 HB THR A 29 0.007 -6.481 15.481 1.00 0.00 H new ATOM 0 HG1 THR A 29 0.062 -5.757 17.735 1.00 0.00 H new ATOM 0 HG21 THR A 29 1.693 -7.247 17.121 1.00 0.00 H new ATOM 0 HG22 THR A 29 2.348 -7.137 15.470 1.00 0.00 H new ATOM 0 HG23 THR A 29 2.732 -5.875 16.665 1.00 0.00 H new ATOM 465 N LEU A 30 2.790 -5.338 13.173 1.00 0.00 N ATOM 466 CA LEU A 30 3.384 -5.997 12.014 1.00 0.00 C ATOM 467 C LEU A 30 4.178 -7.229 12.437 1.00 0.00 C ATOM 468 O LEU A 30 4.742 -7.272 13.530 1.00 0.00 O ATOM 469 CB LEU A 30 4.290 -5.023 11.254 1.00 0.00 C ATOM 470 CG LEU A 30 3.646 -4.353 10.038 1.00 0.00 C ATOM 471 CD1 LEU A 30 4.662 -3.493 9.302 1.00 0.00 C ATOM 472 CD2 LEU A 30 3.055 -5.397 9.103 1.00 0.00 C ATOM 0 H LEU A 30 3.425 -4.720 13.679 1.00 0.00 H new ATOM 0 HA LEU A 30 2.577 -6.317 11.355 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.623 -4.247 11.943 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.180 -5.560 10.925 1.00 0.00 H new ATOM 0 HG LEU A 30 2.839 -3.709 10.388 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.186 -3.025 8.440 1.00 0.00 H new ATOM 0 HD12 LEU A 30 5.039 -2.721 9.973 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.490 -4.116 8.965 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.602 -4.902 8.244 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.844 -6.067 8.761 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.295 -5.972 9.633 1.00 0.00 H new ATOM 484 N SER A 31 4.215 -8.230 11.564 1.00 0.00 N ATOM 485 CA SER A 31 4.937 -9.465 11.845 1.00 0.00 C ATOM 486 C SER A 31 6.437 -9.282 11.636 1.00 0.00 C ATOM 487 O SER A 31 6.891 -8.217 11.217 1.00 0.00 O ATOM 488 CB SER A 31 4.421 -10.597 10.955 1.00 0.00 C ATOM 489 OG SER A 31 4.934 -11.850 11.373 1.00 0.00 O ATOM 0 H SER A 31 3.753 -8.210 10.655 1.00 0.00 H new ATOM 0 HA SER A 31 4.764 -9.725 12.889 1.00 0.00 H new ATOM 0 HB2 SER A 31 3.332 -10.619 10.984 1.00 0.00 H new ATOM 0 HB3 SER A 31 4.708 -10.410 9.920 1.00 0.00 H new ATOM 0 HG SER A 31 4.588 -12.557 10.789 1.00 0.00 H new ATOM 495 N ALA A 32 7.201 -10.328 11.933 1.00 0.00 N ATOM 496 CA ALA A 32 8.651 -10.287 11.781 1.00 0.00 C ATOM 497 C ALA A 32 9.076 -10.536 10.333 1.00 0.00 C ATOM 498 O ALA A 32 10.268 -10.573 10.029 1.00 0.00 O ATOM 499 CB ALA A 32 9.303 -11.307 12.702 1.00 0.00 C ATOM 0 H ALA A 32 6.839 -11.216 12.281 1.00 0.00 H new ATOM 0 HA ALA A 32 8.985 -9.287 12.056 1.00 0.00 H new ATOM 0 HB1 ALA A 32 10.385 -11.268 12.580 1.00 0.00 H new ATOM 0 HB2 ALA A 32 9.046 -11.080 13.737 1.00 0.00 H new ATOM 0 HB3 ALA A 32 8.946 -12.305 12.450 1.00 0.00 H new ATOM 505 N ARG A 33 8.100 -10.706 9.442 1.00 0.00 N ATOM 506 CA ARG A 33 8.389 -10.951 8.034 1.00 0.00 C ATOM 507 C ARG A 33 8.377 -9.650 7.232 1.00 0.00 C ATOM 508 O ARG A 33 8.207 -9.666 6.013 1.00 0.00 O ATOM 509 CB ARG A 33 7.371 -11.931 7.448 1.00 0.00 C ATOM 510 CG ARG A 33 7.576 -13.366 7.905 1.00 0.00 C ATOM 511 CD ARG A 33 7.136 -14.357 6.839 1.00 0.00 C ATOM 512 NE ARG A 33 8.005 -15.530 6.789 1.00 0.00 N ATOM 513 CZ ARG A 33 8.071 -16.359 5.750 1.00 0.00 C ATOM 514 NH1 ARG A 33 7.322 -16.149 4.675 1.00 0.00 N ATOM 515 NH2 ARG A 33 8.890 -17.402 5.785 1.00 0.00 N ATOM 0 H ARG A 33 7.106 -10.678 9.671 1.00 0.00 H new ATOM 0 HA ARG A 33 9.387 -11.385 7.968 1.00 0.00 H new ATOM 0 HB2 ARG A 33 6.367 -11.609 7.727 1.00 0.00 H new ATOM 0 HB3 ARG A 33 7.427 -11.893 6.360 1.00 0.00 H new ATOM 0 HG2 ARG A 33 8.628 -13.527 8.142 1.00 0.00 H new ATOM 0 HG3 ARG A 33 7.013 -13.541 8.821 1.00 0.00 H new ATOM 0 HD2 ARG A 33 6.112 -14.673 7.038 1.00 0.00 H new ATOM 0 HD3 ARG A 33 7.134 -13.866 5.866 1.00 0.00 H new ATOM 0 HE ARG A 33 8.596 -15.725 7.597 1.00 0.00 H new ATOM 0 HH11 ARG A 33 6.691 -15.348 4.642 1.00 0.00 H new ATOM 0 HH12 ARG A 33 7.377 -16.788 3.882 1.00 0.00 H new ATOM 0 HH21 ARG A 33 9.469 -17.568 6.608 1.00 0.00 H new ATOM 0 HH22 ARG A 33 8.941 -18.038 4.989 1.00 0.00 H new ATOM 529 N PHE A 34 8.556 -8.526 7.920 1.00 0.00 N ATOM 530 CA PHE A 34 8.565 -7.225 7.270 1.00 0.00 C ATOM 531 C PHE A 34 9.735 -7.106 6.300 1.00 0.00 C ATOM 532 O PHE A 34 10.828 -7.609 6.564 1.00 0.00 O ATOM 533 CB PHE A 34 8.644 -6.121 8.323 1.00 0.00 C ATOM 534 CG PHE A 34 9.863 -6.209 9.196 1.00 0.00 C ATOM 535 CD1 PHE A 34 11.040 -5.576 8.830 1.00 0.00 C ATOM 536 CD2 PHE A 34 9.831 -6.924 10.382 1.00 0.00 C ATOM 537 CE1 PHE A 34 12.163 -5.655 9.632 1.00 0.00 C ATOM 538 CE2 PHE A 34 10.951 -7.007 11.188 1.00 0.00 C ATOM 539 CZ PHE A 34 12.119 -6.371 10.812 1.00 0.00 C ATOM 0 H PHE A 34 8.697 -8.493 8.930 1.00 0.00 H new ATOM 0 HA PHE A 34 7.641 -7.118 6.702 1.00 0.00 H new ATOM 0 HB2 PHE A 34 8.634 -5.152 7.823 1.00 0.00 H new ATOM 0 HB3 PHE A 34 7.754 -6.165 8.951 1.00 0.00 H new ATOM 0 HD1 PHE A 34 11.080 -5.015 7.908 1.00 0.00 H new ATOM 0 HD2 PHE A 34 8.921 -7.422 10.680 1.00 0.00 H new ATOM 0 HE1 PHE A 34 13.074 -5.157 9.336 1.00 0.00 H new ATOM 0 HE2 PHE A 34 10.913 -7.568 12.110 1.00 0.00 H new ATOM 0 HZ PHE A 34 12.996 -6.434 11.440 1.00 0.00 H new ATOM 549 N ASP A 35 9.500 -6.435 5.176 1.00 0.00 N ATOM 550 CA ASP A 35 10.535 -6.247 4.167 1.00 0.00 C ATOM 551 C ASP A 35 10.903 -4.773 4.038 1.00 0.00 C ATOM 552 O ASP A 35 10.033 -3.920 3.862 1.00 0.00 O ATOM 553 CB ASP A 35 10.063 -6.788 2.816 1.00 0.00 C ATOM 554 CG ASP A 35 10.397 -8.256 2.632 1.00 0.00 C ATOM 555 OD1 ASP A 35 10.396 -8.995 3.638 1.00 0.00 O ATOM 556 OD2 ASP A 35 10.659 -8.665 1.481 1.00 0.00 O ATOM 0 H ASP A 35 8.601 -6.013 4.942 1.00 0.00 H new ATOM 0 HA ASP A 35 11.421 -6.799 4.481 1.00 0.00 H new ATOM 0 HB2 ASP A 35 8.985 -6.650 2.729 1.00 0.00 H new ATOM 0 HB3 ASP A 35 10.524 -6.210 2.015 1.00 0.00 H new ATOM 561 N ARG A 36 12.195 -4.479 4.128 1.00 0.00 N ATOM 562 CA ARG A 36 12.676 -3.106 4.023 1.00 0.00 C ATOM 563 C ARG A 36 12.499 -2.572 2.604 1.00 0.00 C ATOM 564 O ARG A 36 12.363 -1.366 2.398 1.00 0.00 O ATOM 565 CB ARG A 36 14.148 -3.026 4.430 1.00 0.00 C ATOM 566 CG ARG A 36 15.054 -3.943 3.623 1.00 0.00 C ATOM 567 CD ARG A 36 15.877 -4.852 4.523 1.00 0.00 C ATOM 568 NE ARG A 36 15.336 -6.209 4.571 1.00 0.00 N ATOM 569 CZ ARG A 36 15.917 -7.216 5.220 1.00 0.00 C ATOM 570 NH1 ARG A 36 17.055 -7.023 5.876 1.00 0.00 N ATOM 571 NH2 ARG A 36 15.359 -8.418 5.212 1.00 0.00 N ATOM 0 H ARG A 36 12.928 -5.173 4.273 1.00 0.00 H new ATOM 0 HA ARG A 36 12.085 -2.489 4.700 1.00 0.00 H new ATOM 0 HB2 ARG A 36 14.492 -1.998 4.317 1.00 0.00 H new ATOM 0 HB3 ARG A 36 14.238 -3.278 5.487 1.00 0.00 H new ATOM 0 HG2 ARG A 36 14.450 -4.549 2.947 1.00 0.00 H new ATOM 0 HG3 ARG A 36 15.721 -3.343 3.003 1.00 0.00 H new ATOM 0 HD2 ARG A 36 16.905 -4.884 4.163 1.00 0.00 H new ATOM 0 HD3 ARG A 36 15.905 -4.437 5.530 1.00 0.00 H new ATOM 0 HE ARG A 36 14.462 -6.395 4.079 1.00 0.00 H new ATOM 0 HH11 ARG A 36 17.488 -6.100 5.885 1.00 0.00 H new ATOM 0 HH12 ARG A 36 17.496 -7.798 6.372 1.00 0.00 H new ATOM 0 HH21 ARG A 36 14.485 -8.571 4.709 1.00 0.00 H new ATOM 0 HH22 ARG A 36 15.804 -9.190 5.709 1.00 0.00 H new ATOM 585 N HIS A 37 12.502 -3.476 1.630 1.00 0.00 N ATOM 586 CA HIS A 37 12.344 -3.093 0.231 1.00 0.00 C ATOM 587 C HIS A 37 10.870 -2.917 -0.126 1.00 0.00 C ATOM 588 O HIS A 37 10.528 -2.142 -1.019 1.00 0.00 O ATOM 589 CB HIS A 37 12.979 -4.144 -0.680 1.00 0.00 C ATOM 590 CG HIS A 37 14.391 -3.827 -1.066 1.00 0.00 C ATOM 591 ND1 HIS A 37 14.731 -3.263 -2.278 1.00 0.00 N ATOM 592 CD2 HIS A 37 15.554 -3.999 -0.393 1.00 0.00 C ATOM 593 CE1 HIS A 37 16.042 -3.102 -2.334 1.00 0.00 C ATOM 594 NE2 HIS A 37 16.563 -3.540 -1.203 1.00 0.00 N ATOM 0 H HIS A 37 12.612 -4.478 1.783 1.00 0.00 H new ATOM 0 HA HIS A 37 12.849 -2.139 0.083 1.00 0.00 H new ATOM 0 HB2 HIS A 37 12.957 -5.111 -0.177 1.00 0.00 H new ATOM 0 HB3 HIS A 37 12.377 -4.241 -1.583 1.00 0.00 H new ATOM 0 HD2 HIS A 37 15.666 -4.419 0.596 1.00 0.00 H new ATOM 0 HE1 HIS A 37 16.593 -2.684 -3.163 1.00 0.00 H new ATOM 0 HE2 HIS A 37 17.556 -3.538 -0.969 1.00 0.00 H new ATOM 603 N LEU A 38 10.002 -3.641 0.573 1.00 0.00 N ATOM 604 CA LEU A 38 8.567 -3.563 0.324 1.00 0.00 C ATOM 605 C LEU A 38 7.916 -2.498 1.200 1.00 0.00 C ATOM 606 O LEU A 38 6.924 -1.881 0.810 1.00 0.00 O ATOM 607 CB LEU A 38 7.909 -4.921 0.578 1.00 0.00 C ATOM 608 CG LEU A 38 8.575 -6.106 -0.123 1.00 0.00 C ATOM 609 CD1 LEU A 38 7.792 -7.384 0.132 1.00 0.00 C ATOM 610 CD2 LEU A 38 8.697 -5.842 -1.616 1.00 0.00 C ATOM 0 H LEU A 38 10.267 -4.288 1.316 1.00 0.00 H new ATOM 0 HA LEU A 38 8.422 -3.285 -0.720 1.00 0.00 H new ATOM 0 HB2 LEU A 38 7.904 -5.110 1.652 1.00 0.00 H new ATOM 0 HB3 LEU A 38 6.868 -4.868 0.259 1.00 0.00 H new ATOM 0 HG LEU A 38 9.577 -6.230 0.286 1.00 0.00 H new ATOM 0 HD11 LEU A 38 8.280 -8.217 -0.374 1.00 0.00 H new ATOM 0 HD12 LEU A 38 7.756 -7.581 1.203 1.00 0.00 H new ATOM 0 HD13 LEU A 38 6.777 -7.271 -0.250 1.00 0.00 H new ATOM 0 HD21 LEU A 38 9.173 -6.695 -2.099 1.00 0.00 H new ATOM 0 HD22 LEU A 38 7.705 -5.692 -2.041 1.00 0.00 H new ATOM 0 HD23 LEU A 38 9.301 -4.949 -1.780 1.00 0.00 H new ATOM 622 N PHE A 39 8.477 -2.288 2.386 1.00 0.00 N ATOM 623 CA PHE A 39 7.948 -1.298 3.317 1.00 0.00 C ATOM 624 C PHE A 39 8.927 -0.145 3.503 1.00 0.00 C ATOM 625 O PHE A 39 10.099 -0.247 3.140 1.00 0.00 O ATOM 626 CB PHE A 39 7.647 -1.950 4.668 1.00 0.00 C ATOM 627 CG PHE A 39 6.494 -2.912 4.627 1.00 0.00 C ATOM 628 CD1 PHE A 39 5.292 -2.548 4.042 1.00 0.00 C ATOM 629 CD2 PHE A 39 6.614 -4.180 5.172 1.00 0.00 C ATOM 630 CE1 PHE A 39 4.230 -3.432 4.002 1.00 0.00 C ATOM 631 CE2 PHE A 39 5.555 -5.068 5.135 1.00 0.00 C ATOM 632 CZ PHE A 39 4.362 -4.693 4.549 1.00 0.00 C ATOM 0 H PHE A 39 9.298 -2.790 2.725 1.00 0.00 H new ATOM 0 HA PHE A 39 7.024 -0.900 2.898 1.00 0.00 H new ATOM 0 HB2 PHE A 39 8.536 -2.476 5.014 1.00 0.00 H new ATOM 0 HB3 PHE A 39 7.433 -1.170 5.399 1.00 0.00 H new ATOM 0 HD1 PHE A 39 5.184 -1.563 3.613 1.00 0.00 H new ATOM 0 HD2 PHE A 39 7.545 -4.478 5.631 1.00 0.00 H new ATOM 0 HE1 PHE A 39 3.298 -3.137 3.543 1.00 0.00 H new ATOM 0 HE2 PHE A 39 5.661 -6.054 5.564 1.00 0.00 H new ATOM 0 HZ PHE A 39 3.533 -5.385 4.519 1.00 0.00 H new ATOM 642 N GLN A 40 8.438 0.952 4.072 1.00 0.00 N ATOM 643 CA GLN A 40 9.268 2.126 4.308 1.00 0.00 C ATOM 644 C GLN A 40 9.904 2.073 5.693 1.00 0.00 C ATOM 645 O GLN A 40 9.615 1.176 6.485 1.00 0.00 O ATOM 646 CB GLN A 40 8.436 3.403 4.161 1.00 0.00 C ATOM 647 CG GLN A 40 9.104 4.469 3.310 1.00 0.00 C ATOM 648 CD GLN A 40 8.591 4.482 1.883 1.00 0.00 C ATOM 649 OE1 GLN A 40 7.929 3.542 1.441 1.00 0.00 O ATOM 650 NE2 GLN A 40 8.895 5.549 1.154 1.00 0.00 N ATOM 0 H GLN A 40 7.470 1.052 4.378 1.00 0.00 H new ATOM 0 HA GLN A 40 10.064 2.133 3.564 1.00 0.00 H new ATOM 0 HB2 GLN A 40 7.472 3.150 3.720 1.00 0.00 H new ATOM 0 HB3 GLN A 40 8.236 3.813 5.151 1.00 0.00 H new ATOM 0 HG2 GLN A 40 8.936 5.447 3.761 1.00 0.00 H new ATOM 0 HG3 GLN A 40 10.181 4.301 3.304 1.00 0.00 H new ATOM 0 HE21 GLN A 40 9.446 6.305 1.561 1.00 0.00 H new ATOM 0 HE22 GLN A 40 8.578 5.613 0.187 1.00 0.00 H new ATOM 659 N THR A 41 10.770 3.040 5.979 1.00 0.00 N ATOM 660 CA THR A 41 11.447 3.103 7.269 1.00 0.00 C ATOM 661 C THR A 41 10.455 3.386 8.393 1.00 0.00 C ATOM 662 O THR A 41 10.673 2.991 9.539 1.00 0.00 O ATOM 663 CB THR A 41 12.530 4.183 7.247 1.00 0.00 C ATOM 664 OG1 THR A 41 11.952 5.474 7.316 1.00 0.00 O ATOM 665 CG2 THR A 41 13.399 4.135 6.010 1.00 0.00 C ATOM 0 H THR A 41 11.019 3.790 5.335 1.00 0.00 H new ATOM 0 HA THR A 41 11.911 2.134 7.454 1.00 0.00 H new ATOM 0 HB THR A 41 13.155 3.983 8.117 1.00 0.00 H new ATOM 0 HG1 THR A 41 12.661 6.151 7.302 1.00 0.00 H new ATOM 0 HG21 THR A 41 14.146 4.928 6.059 1.00 0.00 H new ATOM 0 HG22 THR A 41 13.899 3.168 5.954 1.00 0.00 H new ATOM 0 HG23 THR A 41 12.779 4.275 5.124 1.00 0.00 H new ATOM 673 N ARG A 42 9.367 4.074 8.061 1.00 0.00 N ATOM 674 CA ARG A 42 8.345 4.409 9.046 1.00 0.00 C ATOM 675 C ARG A 42 7.210 3.388 9.036 1.00 0.00 C ATOM 676 O ARG A 42 6.100 3.678 9.484 1.00 0.00 O ATOM 677 CB ARG A 42 7.790 5.810 8.778 1.00 0.00 C ATOM 678 CG ARG A 42 7.566 6.627 10.039 1.00 0.00 C ATOM 679 CD ARG A 42 6.530 5.981 10.945 1.00 0.00 C ATOM 680 NE ARG A 42 6.376 6.706 12.204 1.00 0.00 N ATOM 681 CZ ARG A 42 5.693 6.243 13.248 1.00 0.00 C ATOM 682 NH1 ARG A 42 5.101 5.056 13.191 1.00 0.00 N ATOM 683 NH2 ARG A 42 5.601 6.969 14.354 1.00 0.00 N ATOM 0 H ARG A 42 9.171 4.410 7.118 1.00 0.00 H new ATOM 0 HA ARG A 42 8.811 4.390 10.031 1.00 0.00 H new ATOM 0 HB2 ARG A 42 8.479 6.346 8.126 1.00 0.00 H new ATOM 0 HB3 ARG A 42 6.846 5.721 8.240 1.00 0.00 H new ATOM 0 HG2 ARG A 42 8.508 6.732 10.578 1.00 0.00 H new ATOM 0 HG3 ARG A 42 7.240 7.632 9.770 1.00 0.00 H new ATOM 0 HD2 ARG A 42 5.571 5.943 10.429 1.00 0.00 H new ATOM 0 HD3 ARG A 42 6.822 4.951 11.153 1.00 0.00 H new ATOM 0 HE ARG A 42 6.818 7.621 12.288 1.00 0.00 H new ATOM 0 HH11 ARG A 42 5.168 4.493 12.343 1.00 0.00 H new ATOM 0 HH12 ARG A 42 4.579 4.707 13.995 1.00 0.00 H new ATOM 0 HH21 ARG A 42 6.054 7.882 14.404 1.00 0.00 H new ATOM 0 HH22 ARG A 42 5.078 6.615 15.155 1.00 0.00 H new ATOM 697 N ALA A 43 7.491 2.193 8.524 1.00 0.00 N ATOM 698 CA ALA A 43 6.490 1.135 8.462 1.00 0.00 C ATOM 699 C ALA A 43 6.826 0.006 9.430 1.00 0.00 C ATOM 700 O ALA A 43 7.617 -0.882 9.112 1.00 0.00 O ATOM 701 CB ALA A 43 6.376 0.598 7.043 1.00 0.00 C ATOM 0 H ALA A 43 8.403 1.934 8.147 1.00 0.00 H new ATOM 0 HA ALA A 43 5.530 1.559 8.756 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.625 -0.191 7.012 1.00 0.00 H new ATOM 0 HB2 ALA A 43 6.083 1.405 6.371 1.00 0.00 H new ATOM 0 HB3 ALA A 43 7.339 0.195 6.728 1.00 0.00 H new ATOM 707 N THR A 44 6.223 0.047 10.613 1.00 0.00 N ATOM 708 CA THR A 44 6.463 -0.974 11.627 1.00 0.00 C ATOM 709 C THR A 44 5.153 -1.562 12.152 1.00 0.00 C ATOM 710 O THR A 44 5.162 -2.392 13.062 1.00 0.00 O ATOM 711 CB THR A 44 7.271 -0.388 12.785 1.00 0.00 C ATOM 712 OG1 THR A 44 6.660 0.792 13.277 1.00 0.00 O ATOM 713 CG2 THR A 44 8.695 -0.044 12.407 1.00 0.00 C ATOM 0 H THR A 44 5.566 0.775 10.893 1.00 0.00 H new ATOM 0 HA THR A 44 7.031 -1.779 11.160 1.00 0.00 H new ATOM 0 HB THR A 44 7.292 -1.168 13.546 1.00 0.00 H new ATOM 0 HG1 THR A 44 7.191 1.151 14.018 1.00 0.00 H new ATOM 0 HG21 THR A 44 9.212 0.367 13.274 1.00 0.00 H new ATOM 0 HG22 THR A 44 9.210 -0.944 12.070 1.00 0.00 H new ATOM 0 HG23 THR A 44 8.690 0.693 11.604 1.00 0.00 H new ATOM 721 N THR A 45 4.029 -1.136 11.579 1.00 0.00 N ATOM 722 CA THR A 45 2.724 -1.632 12.002 1.00 0.00 C ATOM 723 C THR A 45 1.689 -1.470 10.892 1.00 0.00 C ATOM 724 O THR A 45 1.981 -0.917 9.831 1.00 0.00 O ATOM 725 CB THR A 45 2.259 -0.899 13.261 1.00 0.00 C ATOM 726 OG1 THR A 45 2.018 0.470 12.984 1.00 0.00 O ATOM 727 CG2 THR A 45 3.255 -0.970 14.398 1.00 0.00 C ATOM 0 H THR A 45 3.997 -0.451 10.824 1.00 0.00 H new ATOM 0 HA THR A 45 2.825 -2.694 12.225 1.00 0.00 H new ATOM 0 HB THR A 45 1.345 -1.406 13.569 1.00 0.00 H new ATOM 0 HG1 THR A 45 1.876 0.954 13.824 1.00 0.00 H new ATOM 0 HG21 THR A 45 2.863 -0.430 15.260 1.00 0.00 H new ATOM 0 HG22 THR A 45 3.424 -2.012 14.669 1.00 0.00 H new ATOM 0 HG23 THR A 45 4.197 -0.519 14.085 1.00 0.00 H new ATOM 735 N LEU A 46 0.478 -1.959 11.145 1.00 0.00 N ATOM 736 CA LEU A 46 -0.603 -1.872 10.169 1.00 0.00 C ATOM 737 C LEU A 46 -0.880 -0.421 9.788 1.00 0.00 C ATOM 738 O LEU A 46 -0.865 -0.065 8.609 1.00 0.00 O ATOM 739 CB LEU A 46 -1.874 -2.517 10.726 1.00 0.00 C ATOM 740 CG LEU A 46 -2.026 -4.012 10.423 1.00 0.00 C ATOM 741 CD1 LEU A 46 -2.135 -4.813 11.712 1.00 0.00 C ATOM 742 CD2 LEU A 46 -3.239 -4.259 9.537 1.00 0.00 C ATOM 0 H LEU A 46 0.221 -2.420 12.018 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.293 -2.410 9.273 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.891 -2.377 11.807 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.738 -1.990 10.322 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.136 -4.343 9.888 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.242 -5.871 11.475 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -1.236 -4.664 12.310 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -3.005 -4.478 12.276 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -3.330 -5.326 9.333 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -4.138 -3.909 10.045 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -3.119 -3.719 8.598 1.00 0.00 H new ATOM 754 N GLN A 47 -1.130 0.414 10.792 1.00 0.00 N ATOM 755 CA GLN A 47 -1.407 1.826 10.560 1.00 0.00 C ATOM 756 C GLN A 47 -0.255 2.484 9.809 1.00 0.00 C ATOM 757 O GLN A 47 -0.460 3.402 9.015 1.00 0.00 O ATOM 758 CB GLN A 47 -1.647 2.547 11.887 1.00 0.00 C ATOM 759 CG GLN A 47 -0.469 2.470 12.844 1.00 0.00 C ATOM 760 CD GLN A 47 0.333 3.756 12.887 1.00 0.00 C ATOM 761 OE1 GLN A 47 0.797 4.246 11.857 1.00 0.00 O ATOM 762 NE2 GLN A 47 0.501 4.309 14.082 1.00 0.00 N ATOM 0 H GLN A 47 -1.146 0.137 11.773 1.00 0.00 H new ATOM 0 HA GLN A 47 -2.307 1.901 9.950 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -1.873 3.594 11.686 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -2.525 2.118 12.370 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -0.834 2.240 13.845 1.00 0.00 H new ATOM 0 HG3 GLN A 47 0.183 1.649 12.546 1.00 0.00 H new ATOM 0 HE21 GLN A 47 0.099 3.868 14.909 1.00 0.00 H new ATOM 0 HE22 GLN A 47 1.033 5.175 14.173 1.00 0.00 H new ATOM 771 N ALA A 48 0.958 2.002 10.061 1.00 0.00 N ATOM 772 CA ALA A 48 2.143 2.537 9.404 1.00 0.00 C ATOM 773 C ALA A 48 2.080 2.303 7.900 1.00 0.00 C ATOM 774 O ALA A 48 2.412 3.186 7.108 1.00 0.00 O ATOM 775 CB ALA A 48 3.399 1.907 9.986 1.00 0.00 C ATOM 0 H ALA A 48 1.145 1.242 10.715 1.00 0.00 H new ATOM 0 HA ALA A 48 2.176 3.612 9.581 1.00 0.00 H new ATOM 0 HB1 ALA A 48 4.277 2.316 9.486 1.00 0.00 H new ATOM 0 HB2 ALA A 48 3.455 2.125 11.053 1.00 0.00 H new ATOM 0 HB3 ALA A 48 3.367 0.828 9.838 1.00 0.00 H new ATOM 781 N CYS A 49 1.648 1.107 7.512 1.00 0.00 N ATOM 782 CA CYS A 49 1.536 0.755 6.102 1.00 0.00 C ATOM 783 C CYS A 49 0.445 1.578 5.426 1.00 0.00 C ATOM 784 O CYS A 49 0.588 1.990 4.274 1.00 0.00 O ATOM 785 CB CYS A 49 1.236 -0.737 5.948 1.00 0.00 C ATOM 786 SG CYS A 49 2.660 -1.810 6.248 1.00 0.00 S ATOM 0 H CYS A 49 1.370 0.366 8.155 1.00 0.00 H new ATOM 0 HA CYS A 49 2.488 0.976 5.619 1.00 0.00 H new ATOM 0 HB2 CYS A 49 0.437 -1.009 6.638 1.00 0.00 H new ATOM 0 HB3 CYS A 49 0.863 -0.920 4.940 1.00 0.00 H new ATOM 0 HG CYS A 49 2.866 -2.559 5.206 1.00 0.00 H new ATOM 792 N LEU A 50 -0.643 1.816 6.150 1.00 0.00 N ATOM 793 CA LEU A 50 -1.757 2.594 5.622 1.00 0.00 C ATOM 794 C LEU A 50 -1.320 4.023 5.319 1.00 0.00 C ATOM 795 O LEU A 50 -1.580 4.547 4.236 1.00 0.00 O ATOM 796 CB LEU A 50 -2.921 2.599 6.617 1.00 0.00 C ATOM 797 CG LEU A 50 -4.276 2.200 6.031 1.00 0.00 C ATOM 798 CD1 LEU A 50 -4.181 0.853 5.331 1.00 0.00 C ATOM 799 CD2 LEU A 50 -5.336 2.161 7.121 1.00 0.00 C ATOM 0 H LEU A 50 -0.777 1.481 7.104 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.089 2.130 4.693 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.682 1.920 7.435 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.008 3.597 7.046 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.566 2.949 5.294 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -5.155 0.587 4.921 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.451 0.913 4.523 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -3.868 0.092 6.046 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -6.294 1.875 6.687 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.050 1.433 7.880 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -5.424 3.147 7.578 1.00 0.00 H new ATOM 811 N ASP A 51 -0.652 4.648 6.284 1.00 0.00 N ATOM 812 CA ASP A 51 -0.175 6.015 6.119 1.00 0.00 C ATOM 813 C ASP A 51 0.849 6.094 4.992 1.00 0.00 C ATOM 814 O ASP A 51 0.939 7.102 4.291 1.00 0.00 O ATOM 815 CB ASP A 51 0.439 6.526 7.425 1.00 0.00 C ATOM 816 CG ASP A 51 -0.115 7.877 7.834 1.00 0.00 C ATOM 817 OD1 ASP A 51 0.181 8.874 7.142 1.00 0.00 O ATOM 818 OD2 ASP A 51 -0.844 7.938 8.846 1.00 0.00 O ATOM 0 H ASP A 51 -0.429 4.229 7.187 1.00 0.00 H new ATOM 0 HA ASP A 51 -1.026 6.645 5.860 1.00 0.00 H new ATOM 0 HB2 ASP A 51 0.251 5.803 8.219 1.00 0.00 H new ATOM 0 HB3 ASP A 51 1.521 6.599 7.311 1.00 0.00 H new ATOM 823 N GLU A 52 1.616 5.022 4.823 1.00 0.00 N ATOM 824 CA GLU A 52 2.631 4.966 3.778 1.00 0.00 C ATOM 825 C GLU A 52 1.983 4.997 2.398 1.00 0.00 C ATOM 826 O GLU A 52 2.433 5.715 1.505 1.00 0.00 O ATOM 827 CB GLU A 52 3.482 3.703 3.932 1.00 0.00 C ATOM 828 CG GLU A 52 4.971 3.984 4.049 1.00 0.00 C ATOM 829 CD GLU A 52 5.355 4.541 5.406 1.00 0.00 C ATOM 830 OE1 GLU A 52 5.362 3.766 6.385 1.00 0.00 O ATOM 831 OE2 GLU A 52 5.647 5.753 5.489 1.00 0.00 O ATOM 0 H GLU A 52 1.554 4.181 5.396 1.00 0.00 H new ATOM 0 HA GLU A 52 3.275 5.840 3.878 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.153 3.159 4.817 1.00 0.00 H new ATOM 0 HB3 GLU A 52 3.310 3.052 3.075 1.00 0.00 H new ATOM 0 HG2 GLU A 52 5.526 3.063 3.868 1.00 0.00 H new ATOM 0 HG3 GLU A 52 5.265 4.691 3.274 1.00 0.00 H new ATOM 838 N ALA A 53 0.920 4.216 2.233 1.00 0.00 N ATOM 839 CA ALA A 53 0.206 4.155 0.964 1.00 0.00 C ATOM 840 C ALA A 53 -0.394 5.512 0.614 1.00 0.00 C ATOM 841 O ALA A 53 -0.339 5.949 -0.536 1.00 0.00 O ATOM 842 CB ALA A 53 -0.882 3.093 1.021 1.00 0.00 C ATOM 0 H ALA A 53 0.535 3.617 2.963 1.00 0.00 H new ATOM 0 HA ALA A 53 0.918 3.886 0.183 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -1.407 3.059 0.066 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -0.432 2.121 1.223 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -1.588 3.337 1.815 1.00 0.00 H new ATOM 848 N GLY A 54 -0.963 6.176 1.615 1.00 0.00 N ATOM 849 CA GLY A 54 -1.562 7.479 1.394 1.00 0.00 C ATOM 850 C GLY A 54 -0.546 8.512 0.949 1.00 0.00 C ATOM 851 O GLY A 54 -0.832 9.344 0.088 1.00 0.00 O ATOM 0 H GLY A 54 -1.020 5.835 2.575 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -2.344 7.393 0.640 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -2.041 7.817 2.313 1.00 0.00 H new ATOM 855 N ASP A 55 0.645 8.456 1.535 1.00 0.00 N ATOM 856 CA ASP A 55 1.711 9.391 1.193 1.00 0.00 C ATOM 857 C ASP A 55 2.356 9.011 -0.135 1.00 0.00 C ATOM 858 O ASP A 55 2.809 9.874 -0.887 1.00 0.00 O ATOM 859 CB ASP A 55 2.767 9.419 2.300 1.00 0.00 C ATOM 860 CG ASP A 55 3.290 10.817 2.564 1.00 0.00 C ATOM 861 OD1 ASP A 55 2.496 11.675 3.004 1.00 0.00 O ATOM 862 OD2 ASP A 55 4.494 11.054 2.333 1.00 0.00 O ATOM 0 H ASP A 55 0.897 7.773 2.249 1.00 0.00 H new ATOM 0 HA ASP A 55 1.275 10.385 1.094 1.00 0.00 H new ATOM 0 HB2 ASP A 55 2.339 9.015 3.217 1.00 0.00 H new ATOM 0 HB3 ASP A 55 3.597 8.770 2.023 1.00 0.00 H new ATOM 867 N ASN A 56 2.392 7.712 -0.417 1.00 0.00 N ATOM 868 CA ASN A 56 2.979 7.214 -1.655 1.00 0.00 C ATOM 869 C ASN A 56 2.117 7.596 -2.855 1.00 0.00 C ATOM 870 O ASN A 56 2.622 8.088 -3.864 1.00 0.00 O ATOM 871 CB ASN A 56 3.144 5.693 -1.591 1.00 0.00 C ATOM 872 CG ASN A 56 4.577 5.277 -1.325 1.00 0.00 C ATOM 873 OD1 ASN A 56 5.423 5.315 -2.219 1.00 0.00 O ATOM 874 ND2 ASN A 56 4.859 4.874 -0.092 1.00 0.00 N ATOM 0 H ASN A 56 2.021 6.986 0.196 1.00 0.00 H new ATOM 0 HA ASN A 56 3.961 7.672 -1.775 1.00 0.00 H new ATOM 0 HB2 ASN A 56 2.501 5.293 -0.807 1.00 0.00 H new ATOM 0 HB3 ASN A 56 2.810 5.254 -2.531 1.00 0.00 H new ATOM 0 HD21 ASN A 56 5.807 4.580 0.144 1.00 0.00 H new ATOM 0 HD22 ASN A 56 4.128 4.858 0.619 1.00 0.00 H new ATOM 881 N LEU A 57 0.813 7.366 -2.736 1.00 0.00 N ATOM 882 CA LEU A 57 -0.119 7.688 -3.810 1.00 0.00 C ATOM 883 C LEU A 57 -0.236 9.197 -3.990 1.00 0.00 C ATOM 884 O LEU A 57 -0.315 9.694 -5.114 1.00 0.00 O ATOM 885 CB LEU A 57 -1.496 7.087 -3.517 1.00 0.00 C ATOM 886 CG LEU A 57 -2.221 7.685 -2.309 1.00 0.00 C ATOM 887 CD1 LEU A 57 -3.051 8.890 -2.726 1.00 0.00 C ATOM 888 CD2 LEU A 57 -3.097 6.636 -1.642 1.00 0.00 C ATOM 0 H LEU A 57 0.379 6.959 -1.908 1.00 0.00 H new ATOM 0 HA LEU A 57 0.266 7.258 -4.735 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.125 7.213 -4.398 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.381 6.015 -3.358 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.474 8.018 -1.588 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -3.559 9.301 -1.854 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -2.399 9.649 -3.158 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.791 8.584 -3.466 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -3.605 7.078 -0.785 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.837 6.273 -2.355 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -2.477 5.804 -1.307 1.00 0.00 H new ATOM 900 N ALA A 58 -0.244 9.922 -2.876 1.00 0.00 N ATOM 901 CA ALA A 58 -0.347 11.375 -2.912 1.00 0.00 C ATOM 902 C ALA A 58 0.830 11.985 -3.665 1.00 0.00 C ATOM 903 O ALA A 58 0.647 12.799 -4.571 1.00 0.00 O ATOM 904 CB ALA A 58 -0.420 11.934 -1.499 1.00 0.00 C ATOM 0 H ALA A 58 -0.180 9.527 -1.938 1.00 0.00 H new ATOM 0 HA ALA A 58 -1.262 11.640 -3.441 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -0.497 13.020 -1.541 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -1.295 11.528 -0.992 1.00 0.00 H new ATOM 0 HB3 ALA A 58 0.479 11.655 -0.950 1.00 0.00 H new ATOM 910 N ALA A 59 2.039 11.582 -3.287 1.00 0.00 N ATOM 911 CA ALA A 59 3.247 12.084 -3.929 1.00 0.00 C ATOM 912 C ALA A 59 3.361 11.564 -5.358 1.00 0.00 C ATOM 913 O ALA A 59 3.934 12.223 -6.225 1.00 0.00 O ATOM 914 CB ALA A 59 4.475 11.692 -3.122 1.00 0.00 C ATOM 0 H ALA A 59 2.207 10.909 -2.539 1.00 0.00 H new ATOM 0 HA ALA A 59 3.186 13.172 -3.968 1.00 0.00 H new ATOM 0 HB1 ALA A 59 5.370 12.073 -3.613 1.00 0.00 H new ATOM 0 HB2 ALA A 59 4.402 12.115 -2.120 1.00 0.00 H new ATOM 0 HB3 ALA A 59 4.534 10.606 -3.053 1.00 0.00 H new ATOM 920 N LEU A 60 2.810 10.378 -5.595 1.00 0.00 N ATOM 921 CA LEU A 60 2.847 9.769 -6.919 1.00 0.00 C ATOM 922 C LEU A 60 1.990 10.559 -7.903 1.00 0.00 C ATOM 923 O LEU A 60 2.416 10.845 -9.022 1.00 0.00 O ATOM 924 CB LEU A 60 2.362 8.319 -6.850 1.00 0.00 C ATOM 925 CG LEU A 60 2.341 7.580 -8.190 1.00 0.00 C ATOM 926 CD1 LEU A 60 2.802 6.141 -8.015 1.00 0.00 C ATOM 927 CD2 LEU A 60 0.949 7.626 -8.800 1.00 0.00 C ATOM 0 H LEU A 60 2.333 9.820 -4.887 1.00 0.00 H new ATOM 0 HA LEU A 60 3.879 9.782 -7.271 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.002 7.770 -6.159 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.356 8.308 -6.430 1.00 0.00 H new ATOM 0 HG LEU A 60 3.031 8.079 -8.870 1.00 0.00 H new ATOM 0 HD11 LEU A 60 2.780 5.632 -8.979 1.00 0.00 H new ATOM 0 HD12 LEU A 60 3.819 6.130 -7.622 1.00 0.00 H new ATOM 0 HD13 LEU A 60 2.138 5.628 -7.319 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.951 7.096 -9.752 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.239 7.152 -8.123 1.00 0.00 H new ATOM 0 HD23 LEU A 60 0.657 8.664 -8.963 1.00 0.00 H new ATOM 939 N ARG A 61 0.781 10.911 -7.476 1.00 0.00 N ATOM 940 CA ARG A 61 -0.135 11.671 -8.318 1.00 0.00 C ATOM 941 C ARG A 61 0.390 13.084 -8.548 1.00 0.00 C ATOM 942 O ARG A 61 0.225 13.651 -9.628 1.00 0.00 O ATOM 943 CB ARG A 61 -1.523 11.727 -7.678 1.00 0.00 C ATOM 944 CG ARG A 61 -2.558 12.441 -8.532 1.00 0.00 C ATOM 945 CD ARG A 61 -3.675 13.026 -7.682 1.00 0.00 C ATOM 946 NE ARG A 61 -4.064 14.360 -8.133 1.00 0.00 N ATOM 947 CZ ARG A 61 -5.218 14.943 -7.814 1.00 0.00 C ATOM 948 NH1 ARG A 61 -6.097 14.314 -7.044 1.00 0.00 N ATOM 949 NH2 ARG A 61 -5.493 16.159 -8.266 1.00 0.00 N ATOM 0 H ARG A 61 0.414 10.682 -6.552 1.00 0.00 H new ATOM 0 HA ARG A 61 -0.209 11.167 -9.282 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -1.865 10.711 -7.482 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -1.450 12.231 -6.714 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -2.076 13.237 -9.099 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -2.978 11.743 -9.256 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -4.541 12.365 -7.716 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -3.352 13.075 -6.642 1.00 0.00 H new ATOM 0 HE ARG A 61 -3.414 14.875 -8.727 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -5.890 13.379 -6.693 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -6.979 14.766 -6.803 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -4.821 16.647 -8.858 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -6.377 16.606 -8.022 1.00 0.00 H new ATOM 963 N HIS A 62 1.025 13.646 -7.526 1.00 0.00 N ATOM 964 CA HIS A 62 1.579 14.992 -7.616 1.00 0.00 C ATOM 965 C HIS A 62 2.883 14.988 -8.407 1.00 0.00 C ATOM 966 O HIS A 62 3.226 15.969 -9.067 1.00 0.00 O ATOM 967 CB HIS A 62 1.819 15.562 -6.217 1.00 0.00 C ATOM 968 CG HIS A 62 2.023 17.045 -6.203 1.00 0.00 C ATOM 969 ND1 HIS A 62 1.090 17.929 -5.703 1.00 0.00 N ATOM 970 CD2 HIS A 62 3.062 17.801 -6.632 1.00 0.00 C ATOM 971 CE1 HIS A 62 1.545 19.164 -5.826 1.00 0.00 C ATOM 972 NE2 HIS A 62 2.740 19.113 -6.385 1.00 0.00 N ATOM 0 H HIS A 62 1.169 13.190 -6.625 1.00 0.00 H new ATOM 0 HA HIS A 62 0.859 15.622 -8.138 1.00 0.00 H new ATOM 0 HB2 HIS A 62 0.969 15.314 -5.582 1.00 0.00 H new ATOM 0 HB3 HIS A 62 2.694 15.079 -5.782 1.00 0.00 H new ATOM 0 HD2 HIS A 62 3.974 17.439 -7.084 1.00 0.00 H new ATOM 0 HE1 HIS A 62 1.027 20.062 -5.521 1.00 0.00 H new ATOM 0 HE2 HIS A 62 3.329 19.918 -6.599 1.00 0.00 H new ATOM 981 N ALA A 63 3.608 13.876 -8.332 1.00 0.00 N ATOM 982 CA ALA A 63 4.878 13.739 -9.035 1.00 0.00 C ATOM 983 C ALA A 63 4.702 13.927 -10.539 1.00 0.00 C ATOM 984 O ALA A 63 5.494 14.615 -11.183 1.00 0.00 O ATOM 985 CB ALA A 63 5.498 12.382 -8.739 1.00 0.00 C ATOM 0 H ALA A 63 3.337 13.056 -7.790 1.00 0.00 H new ATOM 0 HA ALA A 63 5.548 14.521 -8.677 1.00 0.00 H new ATOM 0 HB1 ALA A 63 6.446 12.292 -9.270 1.00 0.00 H new ATOM 0 HB2 ALA A 63 5.672 12.287 -7.667 1.00 0.00 H new ATOM 0 HB3 ALA A 63 4.821 11.593 -9.068 1.00 0.00 H new ATOM 991 N VAL A 64 3.663 13.312 -11.094 1.00 0.00 N ATOM 992 CA VAL A 64 3.394 13.416 -12.525 1.00 0.00 C ATOM 993 C VAL A 64 3.255 14.873 -12.956 1.00 0.00 C ATOM 994 O VAL A 64 3.538 15.220 -14.103 1.00 0.00 O ATOM 995 CB VAL A 64 2.118 12.646 -12.920 1.00 0.00 C ATOM 996 CG1 VAL A 64 2.274 11.164 -12.616 1.00 0.00 C ATOM 997 CG2 VAL A 64 0.898 13.219 -12.212 1.00 0.00 C ATOM 0 H VAL A 64 2.996 12.739 -10.578 1.00 0.00 H new ATOM 0 HA VAL A 64 4.246 12.970 -13.038 1.00 0.00 H new ATOM 0 HB VAL A 64 1.968 12.761 -13.993 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.364 10.636 -12.901 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.117 10.764 -13.179 1.00 0.00 H new ATOM 0 HG13 VAL A 64 2.453 11.028 -11.549 1.00 0.00 H new ATOM 0 HG21 VAL A 64 0.010 12.659 -12.507 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.034 13.142 -11.133 1.00 0.00 H new ATOM 0 HG23 VAL A 64 0.775 14.266 -12.489 1.00 0.00 H new ATOM 1007 N GLU A 65 2.822 15.722 -12.030 1.00 0.00 N ATOM 1008 CA GLU A 65 2.650 17.141 -12.314 1.00 0.00 C ATOM 1009 C GLU A 65 4.000 17.850 -12.374 1.00 0.00 C ATOM 1010 O GLU A 65 4.169 18.825 -13.106 1.00 0.00 O ATOM 1011 CB GLU A 65 1.761 17.792 -11.251 1.00 0.00 C ATOM 1012 CG GLU A 65 0.337 18.041 -11.720 1.00 0.00 C ATOM 1013 CD GLU A 65 -0.472 16.764 -11.830 1.00 0.00 C ATOM 1014 OE1 GLU A 65 -0.266 16.012 -12.806 1.00 0.00 O ATOM 1015 OE2 GLU A 65 -1.313 16.515 -10.940 1.00 0.00 O ATOM 0 H GLU A 65 2.584 15.451 -11.076 1.00 0.00 H new ATOM 0 HA GLU A 65 2.167 17.237 -13.286 1.00 0.00 H new ATOM 0 HB2 GLU A 65 1.738 17.154 -10.368 1.00 0.00 H new ATOM 0 HB3 GLU A 65 2.206 18.740 -10.948 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -0.157 18.721 -11.026 1.00 0.00 H new ATOM 0 HG3 GLU A 65 0.359 18.537 -12.690 1.00 0.00 H new ATOM 1022 N GLN A 66 4.959 17.355 -11.597 1.00 0.00 N ATOM 1023 CA GLN A 66 6.294 17.942 -11.561 1.00 0.00 C ATOM 1024 C GLN A 66 7.260 17.172 -12.460 1.00 0.00 C ATOM 1025 O GLN A 66 8.476 17.246 -12.284 1.00 0.00 O ATOM 1026 CB GLN A 66 6.823 17.966 -10.125 1.00 0.00 C ATOM 1027 CG GLN A 66 7.547 19.253 -9.766 1.00 0.00 C ATOM 1028 CD GLN A 66 6.693 20.189 -8.934 1.00 0.00 C ATOM 1029 OE1 GLN A 66 6.464 19.950 -7.749 1.00 0.00 O ATOM 1030 NE2 GLN A 66 6.216 21.263 -9.554 1.00 0.00 N ATOM 0 H GLN A 66 4.836 16.549 -10.984 1.00 0.00 H new ATOM 0 HA GLN A 66 6.222 18.964 -11.934 1.00 0.00 H new ATOM 0 HB2 GLN A 66 5.990 17.823 -9.437 1.00 0.00 H new ATOM 0 HB3 GLN A 66 7.502 17.125 -9.982 1.00 0.00 H new ATOM 0 HG2 GLN A 66 8.457 19.013 -9.217 1.00 0.00 H new ATOM 0 HG3 GLN A 66 7.852 19.762 -10.681 1.00 0.00 H new ATOM 0 HE21 GLN A 66 6.431 21.421 -10.538 1.00 0.00 H new ATOM 0 HE22 GLN A 66 5.634 21.929 -9.046 1.00 0.00 H new ATOM 1039 N GLN A 67 6.713 16.436 -13.423 1.00 0.00 N ATOM 1040 CA GLN A 67 7.530 15.658 -14.348 1.00 0.00 C ATOM 1041 C GLN A 67 8.388 14.640 -13.601 1.00 0.00 C ATOM 1042 O GLN A 67 9.556 14.434 -13.934 1.00 0.00 O ATOM 1043 CB GLN A 67 8.422 16.586 -15.175 1.00 0.00 C ATOM 1044 CG GLN A 67 7.654 17.436 -16.174 1.00 0.00 C ATOM 1045 CD GLN A 67 7.314 16.681 -17.443 1.00 0.00 C ATOM 1046 OE1 GLN A 67 7.989 16.822 -18.463 1.00 0.00 O ATOM 1047 NE2 GLN A 67 6.262 15.873 -17.387 1.00 0.00 N ATOM 0 H GLN A 67 5.708 16.362 -13.583 1.00 0.00 H new ATOM 0 HA GLN A 67 6.860 15.116 -15.016 1.00 0.00 H new ATOM 0 HB2 GLN A 67 8.974 17.241 -14.501 1.00 0.00 H new ATOM 0 HB3 GLN A 67 9.158 15.987 -15.711 1.00 0.00 H new ATOM 0 HG2 GLN A 67 6.734 17.792 -15.710 1.00 0.00 H new ATOM 0 HG3 GLN A 67 8.245 18.316 -16.427 1.00 0.00 H new ATOM 0 HE21 GLN A 67 5.731 15.787 -16.520 1.00 0.00 H new ATOM 0 HE22 GLN A 67 5.985 15.339 -18.210 1.00 0.00 H new ATOM 1056 N GLN A 68 7.802 14.005 -12.591 1.00 0.00 N ATOM 1057 CA GLN A 68 8.514 13.006 -11.801 1.00 0.00 C ATOM 1058 C GLN A 68 8.176 11.597 -12.281 1.00 0.00 C ATOM 1059 O GLN A 68 8.053 10.668 -11.483 1.00 0.00 O ATOM 1060 CB GLN A 68 8.169 13.158 -10.316 1.00 0.00 C ATOM 1061 CG GLN A 68 9.323 13.679 -9.476 1.00 0.00 C ATOM 1062 CD GLN A 68 9.902 14.972 -10.017 1.00 0.00 C ATOM 1063 OE1 GLN A 68 9.451 16.062 -9.665 1.00 0.00 O ATOM 1064 NE2 GLN A 68 10.906 14.856 -10.878 1.00 0.00 N ATOM 0 H GLN A 68 6.837 14.164 -12.300 1.00 0.00 H new ATOM 0 HA GLN A 68 9.584 13.165 -11.931 1.00 0.00 H new ATOM 0 HB2 GLN A 68 7.322 13.836 -10.216 1.00 0.00 H new ATOM 0 HB3 GLN A 68 7.852 12.192 -9.924 1.00 0.00 H new ATOM 0 HG2 GLN A 68 8.980 13.839 -8.454 1.00 0.00 H new ATOM 0 HG3 GLN A 68 10.107 12.923 -9.435 1.00 0.00 H new ATOM 0 HE21 GLN A 68 11.248 13.932 -11.141 1.00 0.00 H new ATOM 0 HE22 GLN A 68 11.336 15.691 -11.276 1.00 0.00 H new ATOM 1073 N LEU A 69 8.027 11.447 -13.595 1.00 0.00 N ATOM 1074 CA LEU A 69 7.701 10.156 -14.194 1.00 0.00 C ATOM 1075 C LEU A 69 8.578 9.034 -13.631 1.00 0.00 C ATOM 1076 O LEU A 69 8.063 8.026 -13.148 1.00 0.00 O ATOM 1077 CB LEU A 69 7.850 10.225 -15.716 1.00 0.00 C ATOM 1078 CG LEU A 69 6.932 11.233 -16.410 1.00 0.00 C ATOM 1079 CD1 LEU A 69 7.637 11.868 -17.598 1.00 0.00 C ATOM 1080 CD2 LEU A 69 5.641 10.560 -16.851 1.00 0.00 C ATOM 0 H LEU A 69 8.127 12.207 -14.267 1.00 0.00 H new ATOM 0 HA LEU A 69 6.665 9.928 -13.943 1.00 0.00 H new ATOM 0 HB2 LEU A 69 8.884 10.474 -15.954 1.00 0.00 H new ATOM 0 HB3 LEU A 69 7.657 9.235 -16.130 1.00 0.00 H new ATOM 0 HG LEU A 69 6.684 12.021 -15.698 1.00 0.00 H new ATOM 0 HD11 LEU A 69 6.968 12.582 -18.079 1.00 0.00 H new ATOM 0 HD12 LEU A 69 8.534 12.384 -17.255 1.00 0.00 H new ATOM 0 HD13 LEU A 69 7.915 11.093 -18.313 1.00 0.00 H new ATOM 0 HD21 LEU A 69 4.999 11.291 -17.343 1.00 0.00 H new ATOM 0 HD22 LEU A 69 5.871 9.753 -17.546 1.00 0.00 H new ATOM 0 HD23 LEU A 69 5.127 10.153 -15.980 1.00 0.00 H new ATOM 1092 N PRO A 70 9.916 9.187 -13.682 1.00 0.00 N ATOM 1093 CA PRO A 70 10.840 8.169 -13.171 1.00 0.00 C ATOM 1094 C PRO A 70 10.605 7.865 -11.695 1.00 0.00 C ATOM 1095 O PRO A 70 10.876 6.759 -11.228 1.00 0.00 O ATOM 1096 CB PRO A 70 12.229 8.790 -13.377 1.00 0.00 C ATOM 1097 CG PRO A 70 11.983 10.245 -13.586 1.00 0.00 C ATOM 1098 CD PRO A 70 10.634 10.347 -14.236 1.00 0.00 C ATOM 0 HA PRO A 70 10.712 7.216 -13.685 1.00 0.00 H new ATOM 0 HB2 PRO A 70 12.868 8.620 -12.511 1.00 0.00 H new ATOM 0 HB3 PRO A 70 12.733 8.349 -14.237 1.00 0.00 H new ATOM 0 HG2 PRO A 70 12.001 10.784 -12.639 1.00 0.00 H new ATOM 0 HG3 PRO A 70 12.755 10.684 -14.218 1.00 0.00 H new ATOM 0 HD2 PRO A 70 10.137 11.285 -13.990 1.00 0.00 H new ATOM 0 HD3 PRO A 70 10.704 10.298 -15.323 1.00 0.00 H new ATOM 1106 N GLN A 71 10.096 8.853 -10.966 1.00 0.00 N ATOM 1107 CA GLN A 71 9.821 8.688 -9.543 1.00 0.00 C ATOM 1108 C GLN A 71 8.526 7.910 -9.327 1.00 0.00 C ATOM 1109 O GLN A 71 8.385 7.179 -8.346 1.00 0.00 O ATOM 1110 CB GLN A 71 9.734 10.054 -8.857 1.00 0.00 C ATOM 1111 CG GLN A 71 10.511 10.130 -7.553 1.00 0.00 C ATOM 1112 CD GLN A 71 11.788 10.940 -7.680 1.00 0.00 C ATOM 1113 OE1 GLN A 71 12.137 11.713 -6.788 1.00 0.00 O ATOM 1114 NE2 GLN A 71 12.492 10.765 -8.792 1.00 0.00 N ATOM 0 H GLN A 71 9.866 9.775 -11.336 1.00 0.00 H new ATOM 0 HA GLN A 71 10.641 8.121 -9.102 1.00 0.00 H new ATOM 0 HB2 GLN A 71 10.108 10.818 -9.538 1.00 0.00 H new ATOM 0 HB3 GLN A 71 8.687 10.287 -8.661 1.00 0.00 H new ATOM 0 HG2 GLN A 71 9.879 10.573 -6.783 1.00 0.00 H new ATOM 0 HG3 GLN A 71 10.757 9.121 -7.222 1.00 0.00 H new ATOM 0 HE21 GLN A 71 12.165 10.114 -9.505 1.00 0.00 H new ATOM 0 HE22 GLN A 71 13.360 11.282 -8.933 1.00 0.00 H new ATOM 1123 N VAL A 72 7.584 8.073 -10.251 1.00 0.00 N ATOM 1124 CA VAL A 72 6.301 7.387 -10.165 1.00 0.00 C ATOM 1125 C VAL A 72 6.485 5.874 -10.188 1.00 0.00 C ATOM 1126 O VAL A 72 5.741 5.139 -9.539 1.00 0.00 O ATOM 1127 CB VAL A 72 5.366 7.798 -11.320 1.00 0.00 C ATOM 1128 CG1 VAL A 72 3.984 7.188 -11.136 1.00 0.00 C ATOM 1129 CG2 VAL A 72 5.279 9.314 -11.426 1.00 0.00 C ATOM 0 H VAL A 72 7.686 8.675 -11.068 1.00 0.00 H new ATOM 0 HA VAL A 72 5.847 7.681 -9.218 1.00 0.00 H new ATOM 0 HB VAL A 72 5.784 7.416 -12.251 1.00 0.00 H new ATOM 0 HG11 VAL A 72 3.340 7.490 -11.962 1.00 0.00 H new ATOM 0 HG12 VAL A 72 4.065 6.101 -11.119 1.00 0.00 H new ATOM 0 HG13 VAL A 72 3.555 7.535 -10.196 1.00 0.00 H new ATOM 0 HG21 VAL A 72 4.615 9.584 -12.247 1.00 0.00 H new ATOM 0 HG22 VAL A 72 4.888 9.722 -10.494 1.00 0.00 H new ATOM 0 HG23 VAL A 72 6.272 9.723 -11.613 1.00 0.00 H new ATOM 1139 N ALA A 73 7.480 5.414 -10.940 1.00 0.00 N ATOM 1140 CA ALA A 73 7.760 3.987 -11.047 1.00 0.00 C ATOM 1141 C ALA A 73 8.066 3.384 -9.680 1.00 0.00 C ATOM 1142 O ALA A 73 7.609 2.287 -9.358 1.00 0.00 O ATOM 1143 CB ALA A 73 8.919 3.746 -12.003 1.00 0.00 C ATOM 0 H ALA A 73 8.105 6.009 -11.484 1.00 0.00 H new ATOM 0 HA ALA A 73 6.870 3.496 -11.441 1.00 0.00 H new ATOM 0 HB1 ALA A 73 9.117 2.676 -12.073 1.00 0.00 H new ATOM 0 HB2 ALA A 73 8.663 4.133 -12.989 1.00 0.00 H new ATOM 0 HB3 ALA A 73 9.808 4.256 -11.632 1.00 0.00 H new ATOM 1149 N TRP A 74 8.841 4.108 -8.880 1.00 0.00 N ATOM 1150 CA TRP A 74 9.207 3.645 -7.547 1.00 0.00 C ATOM 1151 C TRP A 74 7.996 3.648 -6.620 1.00 0.00 C ATOM 1152 O TRP A 74 7.730 2.665 -5.928 1.00 0.00 O ATOM 1153 CB TRP A 74 10.313 4.526 -6.962 1.00 0.00 C ATOM 1154 CG TRP A 74 11.156 3.822 -5.943 1.00 0.00 C ATOM 1155 CD1 TRP A 74 11.774 2.613 -6.085 1.00 0.00 C ATOM 1156 CD2 TRP A 74 11.473 4.284 -4.625 1.00 0.00 C ATOM 1157 NE1 TRP A 74 12.455 2.294 -4.935 1.00 0.00 N ATOM 1158 CE2 TRP A 74 12.287 3.304 -4.025 1.00 0.00 C ATOM 1159 CE3 TRP A 74 11.149 5.431 -3.894 1.00 0.00 C ATOM 1160 CZ2 TRP A 74 12.780 3.437 -2.729 1.00 0.00 C ATOM 1161 CZ3 TRP A 74 11.639 5.561 -2.609 1.00 0.00 C ATOM 1162 CH2 TRP A 74 12.447 4.570 -2.038 1.00 0.00 C ATOM 0 H TRP A 74 9.228 5.018 -9.132 1.00 0.00 H new ATOM 0 HA TRP A 74 9.575 2.623 -7.633 1.00 0.00 H new ATOM 0 HB2 TRP A 74 10.953 4.879 -7.771 1.00 0.00 H new ATOM 0 HB3 TRP A 74 9.862 5.407 -6.504 1.00 0.00 H new ATOM 0 HD1 TRP A 74 11.734 1.997 -6.971 1.00 0.00 H new ATOM 0 HE1 TRP A 74 12.997 1.444 -4.784 1.00 0.00 H new ATOM 0 HE3 TRP A 74 10.527 6.201 -4.326 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 13.402 2.674 -2.286 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 11.395 6.442 -2.035 1.00 0.00 H new ATOM 0 HH2 TRP A 74 12.815 4.703 -1.031 1.00 0.00 H new ATOM 1173 N LEU A 75 7.266 4.758 -6.611 1.00 0.00 N ATOM 1174 CA LEU A 75 6.082 4.887 -5.769 1.00 0.00 C ATOM 1175 C LEU A 75 5.001 3.897 -6.192 1.00 0.00 C ATOM 1176 O LEU A 75 4.210 3.437 -5.369 1.00 0.00 O ATOM 1177 CB LEU A 75 5.536 6.315 -5.835 1.00 0.00 C ATOM 1178 CG LEU A 75 6.385 7.368 -5.115 1.00 0.00 C ATOM 1179 CD1 LEU A 75 6.655 8.555 -6.027 1.00 0.00 C ATOM 1180 CD2 LEU A 75 5.699 7.823 -3.835 1.00 0.00 C ATOM 0 H LEU A 75 7.473 5.581 -7.177 1.00 0.00 H new ATOM 0 HA LEU A 75 6.372 4.663 -4.742 1.00 0.00 H new ATOM 0 HB2 LEU A 75 5.439 6.603 -6.882 1.00 0.00 H new ATOM 0 HB3 LEU A 75 4.533 6.324 -5.408 1.00 0.00 H new ATOM 0 HG LEU A 75 7.341 6.915 -4.851 1.00 0.00 H new ATOM 0 HD11 LEU A 75 7.259 9.291 -5.497 1.00 0.00 H new ATOM 0 HD12 LEU A 75 7.190 8.218 -6.915 1.00 0.00 H new ATOM 0 HD13 LEU A 75 5.709 9.008 -6.324 1.00 0.00 H new ATOM 0 HD21 LEU A 75 6.317 8.571 -3.337 1.00 0.00 H new ATOM 0 HD22 LEU A 75 4.728 8.256 -4.077 1.00 0.00 H new ATOM 0 HD23 LEU A 75 5.560 6.968 -3.173 1.00 0.00 H new ATOM 1192 N ALA A 76 4.973 3.575 -7.482 1.00 0.00 N ATOM 1193 CA ALA A 76 3.989 2.642 -8.016 1.00 0.00 C ATOM 1194 C ALA A 76 4.250 1.222 -7.525 1.00 0.00 C ATOM 1195 O ALA A 76 3.365 0.577 -6.964 1.00 0.00 O ATOM 1196 CB ALA A 76 3.995 2.684 -9.537 1.00 0.00 C ATOM 0 H ALA A 76 5.621 3.947 -8.176 1.00 0.00 H new ATOM 0 HA ALA A 76 3.006 2.946 -7.656 1.00 0.00 H new ATOM 0 HB1 ALA A 76 3.256 1.982 -9.923 1.00 0.00 H new ATOM 0 HB2 ALA A 76 3.750 3.691 -9.874 1.00 0.00 H new ATOM 0 HB3 ALA A 76 4.983 2.408 -9.905 1.00 0.00 H new ATOM 1202 N GLU A 77 5.470 0.742 -7.741 1.00 0.00 N ATOM 1203 CA GLU A 77 5.846 -0.603 -7.321 1.00 0.00 C ATOM 1204 C GLU A 77 5.728 -0.754 -5.808 1.00 0.00 C ATOM 1205 O GLU A 77 5.459 -1.844 -5.302 1.00 0.00 O ATOM 1206 CB GLU A 77 7.274 -0.920 -7.768 1.00 0.00 C ATOM 1207 CG GLU A 77 8.315 0.032 -7.202 1.00 0.00 C ATOM 1208 CD GLU A 77 9.632 -0.657 -6.901 1.00 0.00 C ATOM 1209 OE1 GLU A 77 10.197 -1.285 -7.821 1.00 0.00 O ATOM 1210 OE2 GLU A 77 10.098 -0.568 -5.746 1.00 0.00 O ATOM 0 H GLU A 77 6.214 1.264 -8.204 1.00 0.00 H new ATOM 0 HA GLU A 77 5.161 -1.308 -7.792 1.00 0.00 H new ATOM 0 HB2 GLU A 77 7.523 -1.938 -7.467 1.00 0.00 H new ATOM 0 HB3 GLU A 77 7.320 -0.890 -8.857 1.00 0.00 H new ATOM 0 HG2 GLU A 77 8.486 0.841 -7.912 1.00 0.00 H new ATOM 0 HG3 GLU A 77 7.929 0.485 -6.289 1.00 0.00 H new ATOM 1217 N HIS A 78 5.933 0.346 -5.091 1.00 0.00 N ATOM 1218 CA HIS A 78 5.851 0.335 -3.635 1.00 0.00 C ATOM 1219 C HIS A 78 4.402 0.210 -3.172 1.00 0.00 C ATOM 1220 O HIS A 78 4.106 -0.507 -2.216 1.00 0.00 O ATOM 1221 CB HIS A 78 6.477 1.607 -3.059 1.00 0.00 C ATOM 1222 CG HIS A 78 7.414 1.349 -1.920 1.00 0.00 C ATOM 1223 ND1 HIS A 78 7.488 0.312 -1.052 1.00 0.00 N flip ATOM 1224 CD2 HIS A 78 8.427 2.215 -1.567 1.00 0.00 C flip ATOM 1225 CE1 HIS A 78 8.534 0.570 -0.200 1.00 0.00 C flip ATOM 1226 NE2 HIS A 78 9.084 1.723 -0.532 1.00 0.00 N flip ATOM 0 H HIS A 78 6.157 1.256 -5.494 1.00 0.00 H new ATOM 0 HA HIS A 78 6.404 -0.530 -3.271 1.00 0.00 H new ATOM 0 HB2 HIS A 78 7.015 2.128 -3.851 1.00 0.00 H new ATOM 0 HB3 HIS A 78 5.683 2.273 -2.722 1.00 0.00 H new ATOM 0 HD1 HIS A 78 6.881 -0.507 -1.034 1.00 0.00 H new ATOM 0 HD2 HIS A 78 8.649 3.150 -2.060 1.00 0.00 H new ATOM 0 HE1 HIS A 78 8.855 -0.068 0.611 1.00 0.00 H new ATOM 1235 N LEU A 79 3.504 0.912 -3.855 1.00 0.00 N ATOM 1236 CA LEU A 79 2.087 0.879 -3.512 1.00 0.00 C ATOM 1237 C LEU A 79 1.495 -0.503 -3.774 1.00 0.00 C ATOM 1238 O LEU A 79 0.732 -1.026 -2.963 1.00 0.00 O ATOM 1239 CB LEU A 79 1.322 1.935 -4.312 1.00 0.00 C ATOM 1240 CG LEU A 79 1.229 3.309 -3.645 1.00 0.00 C ATOM 1241 CD1 LEU A 79 1.199 4.410 -4.694 1.00 0.00 C ATOM 1242 CD2 LEU A 79 -0.002 3.385 -2.754 1.00 0.00 C ATOM 0 H LEU A 79 3.732 1.510 -4.649 1.00 0.00 H new ATOM 0 HA LEU A 79 1.991 1.099 -2.449 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.802 2.051 -5.284 1.00 0.00 H new ATOM 0 HB3 LEU A 79 0.312 1.568 -4.497 1.00 0.00 H new ATOM 0 HG LEU A 79 2.113 3.452 -3.023 1.00 0.00 H new ATOM 0 HD11 LEU A 79 1.133 5.380 -4.201 1.00 0.00 H new ATOM 0 HD12 LEU A 79 2.110 4.368 -5.292 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.333 4.272 -5.342 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -0.053 4.369 -2.287 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -0.897 3.221 -3.355 1.00 0.00 H new ATOM 0 HD23 LEU A 79 0.061 2.619 -1.981 1.00 0.00 H new ATOM 1254 N ALA A 80 1.853 -1.089 -4.912 1.00 0.00 N ATOM 1255 CA ALA A 80 1.357 -2.409 -5.279 1.00 0.00 C ATOM 1256 C ALA A 80 1.835 -3.468 -4.291 1.00 0.00 C ATOM 1257 O ALA A 80 1.060 -4.320 -3.856 1.00 0.00 O ATOM 1258 CB ALA A 80 1.797 -2.765 -6.691 1.00 0.00 C ATOM 0 H ALA A 80 2.484 -0.670 -5.595 1.00 0.00 H new ATOM 0 HA ALA A 80 0.268 -2.383 -5.246 1.00 0.00 H new ATOM 0 HB1 ALA A 80 1.419 -3.754 -6.951 1.00 0.00 H new ATOM 0 HB2 ALA A 80 1.402 -2.029 -7.392 1.00 0.00 H new ATOM 0 HB3 ALA A 80 2.886 -2.767 -6.743 1.00 0.00 H new ATOM 1264 N ALA A 81 3.116 -3.408 -3.941 1.00 0.00 N ATOM 1265 CA ALA A 81 3.697 -4.362 -3.004 1.00 0.00 C ATOM 1266 C ALA A 81 3.121 -4.177 -1.605 1.00 0.00 C ATOM 1267 O ALA A 81 2.994 -5.136 -0.844 1.00 0.00 O ATOM 1268 CB ALA A 81 5.211 -4.217 -2.976 1.00 0.00 C ATOM 0 H ALA A 81 3.771 -2.709 -4.292 1.00 0.00 H new ATOM 0 HA ALA A 81 3.445 -5.367 -3.343 1.00 0.00 H new ATOM 0 HB1 ALA A 81 5.632 -4.935 -2.272 1.00 0.00 H new ATOM 0 HB2 ALA A 81 5.613 -4.406 -3.971 1.00 0.00 H new ATOM 0 HB3 ALA A 81 5.474 -3.206 -2.664 1.00 0.00 H new ATOM 1274 N GLN A 82 2.775 -2.938 -1.271 1.00 0.00 N ATOM 1275 CA GLN A 82 2.213 -2.628 0.038 1.00 0.00 C ATOM 1276 C GLN A 82 0.809 -3.209 0.179 1.00 0.00 C ATOM 1277 O GLN A 82 0.494 -3.862 1.174 1.00 0.00 O ATOM 1278 CB GLN A 82 2.178 -1.113 0.256 1.00 0.00 C ATOM 1279 CG GLN A 82 3.329 -0.595 1.102 1.00 0.00 C ATOM 1280 CD GLN A 82 3.698 0.838 0.770 1.00 0.00 C ATOM 1281 OE1 GLN A 82 2.848 1.778 1.170 1.00 0.00 O flip ATOM 1282 NE2 GLN A 82 4.736 1.098 0.162 1.00 0.00 N flip ATOM 0 H GLN A 82 2.874 -2.133 -1.889 1.00 0.00 H new ATOM 0 HA GLN A 82 2.851 -3.081 0.797 1.00 0.00 H new ATOM 0 HB2 GLN A 82 2.197 -0.614 -0.713 1.00 0.00 H new ATOM 0 HB3 GLN A 82 1.236 -0.845 0.735 1.00 0.00 H new ATOM 0 HG2 GLN A 82 3.059 -0.662 2.156 1.00 0.00 H new ATOM 0 HG3 GLN A 82 4.200 -1.234 0.955 1.00 0.00 H new ATOM 0 HE21 GLN A 82 5.360 0.345 -0.126 1.00 0.00 H new ATOM 0 HE22 GLN A 82 4.972 2.067 -0.053 1.00 0.00 H new ATOM 1291 N LEU A 83 -0.030 -2.965 -0.822 1.00 0.00 N ATOM 1292 CA LEU A 83 -1.400 -3.464 -0.809 1.00 0.00 C ATOM 1293 C LEU A 83 -1.425 -4.988 -0.738 1.00 0.00 C ATOM 1294 O LEU A 83 -2.213 -5.572 0.005 1.00 0.00 O ATOM 1295 CB LEU A 83 -2.151 -2.982 -2.053 1.00 0.00 C ATOM 1296 CG LEU A 83 -3.353 -2.078 -1.773 1.00 0.00 C ATOM 1297 CD1 LEU A 83 -3.537 -1.072 -2.898 1.00 0.00 C ATOM 1298 CD2 LEU A 83 -4.612 -2.910 -1.587 1.00 0.00 C ATOM 0 H LEU A 83 0.215 -2.425 -1.652 1.00 0.00 H new ATOM 0 HA LEU A 83 -1.896 -3.072 0.079 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -1.453 -2.444 -2.695 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -2.493 -3.853 -2.613 1.00 0.00 H new ATOM 0 HG LEU A 83 -3.165 -1.529 -0.850 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -4.397 -0.438 -2.682 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -2.643 -0.455 -2.984 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -3.704 -1.602 -3.836 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -5.457 -2.251 -1.389 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -4.805 -3.485 -2.492 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -4.477 -3.591 -0.746 1.00 0.00 H new ATOM 1310 N GLU A 84 -0.557 -5.625 -1.516 1.00 0.00 N ATOM 1311 CA GLU A 84 -0.479 -7.081 -1.541 1.00 0.00 C ATOM 1312 C GLU A 84 -0.010 -7.624 -0.196 1.00 0.00 C ATOM 1313 O GLU A 84 -0.523 -8.632 0.291 1.00 0.00 O ATOM 1314 CB GLU A 84 0.469 -7.543 -2.649 1.00 0.00 C ATOM 1315 CG GLU A 84 -0.087 -7.342 -4.049 1.00 0.00 C ATOM 1316 CD GLU A 84 -1.297 -8.214 -4.326 1.00 0.00 C ATOM 1317 OE1 GLU A 84 -1.108 -9.391 -4.698 1.00 0.00 O ATOM 1318 OE2 GLU A 84 -2.433 -7.719 -4.169 1.00 0.00 O ATOM 0 H GLU A 84 0.102 -5.156 -2.137 1.00 0.00 H new ATOM 0 HA GLU A 84 -1.478 -7.470 -1.741 1.00 0.00 H new ATOM 0 HB2 GLU A 84 1.410 -7.001 -2.560 1.00 0.00 H new ATOM 0 HB3 GLU A 84 0.695 -8.600 -2.505 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -0.360 -6.295 -4.181 1.00 0.00 H new ATOM 0 HG3 GLU A 84 0.691 -7.563 -4.780 1.00 0.00 H new ATOM 1325 N ALA A 85 0.967 -6.950 0.401 1.00 0.00 N ATOM 1326 CA ALA A 85 1.506 -7.365 1.690 1.00 0.00 C ATOM 1327 C ALA A 85 0.427 -7.351 2.768 1.00 0.00 C ATOM 1328 O ALA A 85 0.318 -8.284 3.563 1.00 0.00 O ATOM 1329 CB ALA A 85 2.665 -6.465 2.091 1.00 0.00 C ATOM 0 H ALA A 85 1.402 -6.113 0.012 1.00 0.00 H new ATOM 0 HA ALA A 85 1.870 -8.388 1.591 1.00 0.00 H new ATOM 0 HB1 ALA A 85 3.058 -6.786 3.056 1.00 0.00 H new ATOM 0 HB2 ALA A 85 3.452 -6.528 1.339 1.00 0.00 H new ATOM 0 HB3 ALA A 85 2.317 -5.435 2.166 1.00 0.00 H new ATOM 1335 N ILE A 86 -0.369 -6.286 2.789 1.00 0.00 N ATOM 1336 CA ILE A 86 -1.439 -6.152 3.770 1.00 0.00 C ATOM 1337 C ILE A 86 -2.476 -7.259 3.604 1.00 0.00 C ATOM 1338 O ILE A 86 -2.929 -7.851 4.583 1.00 0.00 O ATOM 1339 CB ILE A 86 -2.139 -4.783 3.656 1.00 0.00 C ATOM 1340 CG1 ILE A 86 -1.111 -3.652 3.722 1.00 0.00 C ATOM 1341 CG2 ILE A 86 -3.179 -4.623 4.756 1.00 0.00 C ATOM 1342 CD1 ILE A 86 -1.519 -2.419 2.946 1.00 0.00 C ATOM 0 H ILE A 86 -0.293 -5.504 2.138 1.00 0.00 H new ATOM 0 HA ILE A 86 -0.979 -6.233 4.755 1.00 0.00 H new ATOM 0 HB ILE A 86 -2.647 -4.733 2.693 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -0.950 -3.378 4.765 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -0.158 -4.015 3.337 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -3.663 -3.651 4.660 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -3.927 -5.411 4.667 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -2.693 -4.692 5.729 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -0.743 -1.659 3.037 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -1.652 -2.678 1.896 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -2.456 -2.031 3.345 1.00 0.00 H new ATOM 1354 N ALA A 87 -2.847 -7.533 2.358 1.00 0.00 N ATOM 1355 CA ALA A 87 -3.831 -8.569 2.064 1.00 0.00 C ATOM 1356 C ALA A 87 -3.245 -9.960 2.283 1.00 0.00 C ATOM 1357 O ALA A 87 -3.961 -10.897 2.635 1.00 0.00 O ATOM 1358 CB ALA A 87 -4.337 -8.426 0.637 1.00 0.00 C ATOM 0 H ALA A 87 -2.482 -7.053 1.536 1.00 0.00 H new ATOM 0 HA ALA A 87 -4.670 -8.445 2.749 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -5.071 -9.206 0.431 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -4.802 -7.448 0.512 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -3.502 -8.522 -0.057 1.00 0.00 H new ATOM 1364 N ARG A 88 -1.939 -10.086 2.071 1.00 0.00 N ATOM 1365 CA ARG A 88 -1.256 -11.363 2.245 1.00 0.00 C ATOM 1366 C ARG A 88 -1.212 -11.763 3.717 1.00 0.00 C ATOM 1367 O ARG A 88 -1.635 -12.858 4.086 1.00 0.00 O ATOM 1368 CB ARG A 88 0.164 -11.286 1.679 1.00 0.00 C ATOM 1369 CG ARG A 88 0.334 -12.025 0.361 1.00 0.00 C ATOM 1370 CD ARG A 88 0.800 -13.456 0.579 1.00 0.00 C ATOM 1371 NE ARG A 88 1.971 -13.780 -0.233 1.00 0.00 N ATOM 1372 CZ ARG A 88 2.782 -14.807 0.013 1.00 0.00 C ATOM 1373 NH1 ARG A 88 2.555 -15.610 1.044 1.00 0.00 N ATOM 1374 NH2 ARG A 88 3.825 -15.030 -0.776 1.00 0.00 N ATOM 0 H ARG A 88 -1.333 -9.320 1.779 1.00 0.00 H new ATOM 0 HA ARG A 88 -1.815 -12.123 1.700 1.00 0.00 H new ATOM 0 HB2 ARG A 88 0.433 -10.239 1.537 1.00 0.00 H new ATOM 0 HB3 ARG A 88 0.860 -11.698 2.409 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -0.612 -12.028 -0.180 1.00 0.00 H new ATOM 0 HG3 ARG A 88 1.056 -11.497 -0.262 1.00 0.00 H new ATOM 0 HD2 ARG A 88 1.037 -13.603 1.633 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -0.011 -14.142 0.336 1.00 0.00 H new ATOM 0 HE ARG A 88 2.179 -13.185 -1.035 1.00 0.00 H new ATOM 0 HH11 ARG A 88 1.755 -15.443 1.654 1.00 0.00 H new ATOM 0 HH12 ARG A 88 3.180 -16.395 1.227 1.00 0.00 H new ATOM 0 HH21 ARG A 88 4.005 -14.415 -1.570 1.00 0.00 H new ATOM 0 HH22 ARG A 88 4.447 -15.816 -0.589 1.00 0.00 H new ATOM 1388 N GLU A 89 -0.694 -10.868 4.552 1.00 0.00 N ATOM 1389 CA GLU A 89 -0.593 -11.129 5.984 1.00 0.00 C ATOM 1390 C GLU A 89 -1.976 -11.258 6.614 1.00 0.00 C ATOM 1391 O GLU A 89 -2.177 -12.048 7.537 1.00 0.00 O ATOM 1392 CB GLU A 89 0.194 -10.013 6.674 1.00 0.00 C ATOM 1393 CG GLU A 89 -0.273 -8.616 6.297 1.00 0.00 C ATOM 1394 CD GLU A 89 -0.678 -7.790 7.503 1.00 0.00 C ATOM 1395 OE1 GLU A 89 0.220 -7.367 8.261 1.00 0.00 O ATOM 1396 OE2 GLU A 89 -1.893 -7.567 7.688 1.00 0.00 O ATOM 0 H GLU A 89 -0.338 -9.957 4.263 1.00 0.00 H new ATOM 0 HA GLU A 89 -0.064 -12.073 6.118 1.00 0.00 H new ATOM 0 HB2 GLU A 89 0.111 -10.136 7.754 1.00 0.00 H new ATOM 0 HB3 GLU A 89 1.250 -10.115 6.422 1.00 0.00 H new ATOM 0 HG2 GLU A 89 0.525 -8.102 5.761 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -1.118 -8.692 5.613 1.00 0.00 H new ATOM 1403 N ALA A 90 -2.927 -10.479 6.110 1.00 0.00 N ATOM 1404 CA ALA A 90 -4.291 -10.509 6.624 1.00 0.00 C ATOM 1405 C ALA A 90 -4.950 -11.856 6.352 1.00 0.00 C ATOM 1406 O ALA A 90 -5.695 -12.374 7.185 1.00 0.00 O ATOM 1407 CB ALA A 90 -5.111 -9.384 6.010 1.00 0.00 C ATOM 0 H ALA A 90 -2.778 -9.819 5.346 1.00 0.00 H new ATOM 0 HA ALA A 90 -4.250 -10.366 7.704 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -6.127 -9.418 6.403 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -4.658 -8.425 6.260 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -5.136 -9.502 4.927 1.00 0.00 H new