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= -0.0184 K(o=-2.4,f=-5!) USER MOD Set 1.2: A 56 ASN : amide:sc= 0.578 X(o=-2.4,f=-2.2) USER MOD Set 1.3: A 78 HIS : no HE2:sc= -1.13 K(o=-2.4,f=-0.19) USER MOD Set 1.4: A 82 GLN : amide:sc= -1.84! K(o=-2.4!,f=-0.19) USER MOD Set 2.1: A 68 GLN : amide:sc= -0.58 K(o=-1.4,f=-0.45) USER MOD Set 2.2: A 71 GLN : amide:sc= -0.842 K(o=-1.4,f=-0.83) USER MOD Set 3.1: A 62 HIS : no HE2:sc=-0.00221 K(o=-0.52,f=-1.2) USER MOD Set 3.2: A 66 GLN : amide:sc= -0.52 K(o=-0.52,f=-3) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 THR OG1 : rot 78:sc= 0.529 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=-0.09) USER MOD Single : A 21 CYS SG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0.0394 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0.00327 USER MOD Single : A 37 HIS : no HD1:sc= -0.0435 X(o=-0.043,f=-0.012) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.00575 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= -2.4! USER MOD Single : A 47 GLN : amide:sc= -0.57 K(o=-0.57,f=-1.2) USER MOD Single : A 49 CYS SG : rot 136:sc= -1.88! USER MOD Single : A 67 GLN : amide:sc= -0.138 X(o=-0.14,f=-0.24) USER MOD ----------------------------------------------------------------- ATOM 191 N GLY A 12 -8.575 0.771 -6.075 1.00 0.00 N ATOM 192 CA GLY A 12 -9.656 -0.074 -5.600 1.00 0.00 C ATOM 193 C GLY A 12 -9.245 -0.935 -4.422 1.00 0.00 C ATOM 194 O GLY A 12 -9.932 -0.970 -3.401 1.00 0.00 O ATOM 0 HA2 GLY A 12 -10.501 0.551 -5.312 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -9.996 -0.715 -6.413 1.00 0.00 H new ATOM 198 N GLN A 13 -8.124 -1.634 -4.564 1.00 0.00 N ATOM 199 CA GLN A 13 -7.624 -2.501 -3.504 1.00 0.00 C ATOM 200 C GLN A 13 -7.158 -1.683 -2.304 1.00 0.00 C ATOM 201 O GLN A 13 -7.374 -2.068 -1.156 1.00 0.00 O ATOM 202 CB GLN A 13 -6.474 -3.367 -4.023 1.00 0.00 C ATOM 203 CG GLN A 13 -6.224 -4.611 -3.186 1.00 0.00 C ATOM 204 CD GLN A 13 -6.380 -5.893 -3.982 1.00 0.00 C ATOM 205 OE1 GLN A 13 -7.364 -6.617 -3.828 1.00 0.00 O ATOM 206 NE2 GLN A 13 -5.407 -6.180 -4.838 1.00 0.00 N ATOM 0 H GLN A 13 -7.544 -1.617 -5.403 1.00 0.00 H new ATOM 0 HA GLN A 13 -8.441 -3.148 -3.184 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -6.690 -3.667 -5.049 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -5.563 -2.769 -4.051 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -5.218 -4.567 -2.769 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -6.917 -4.624 -2.345 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -4.610 -5.551 -4.933 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -5.457 -7.029 -5.401 1.00 0.00 H new ATOM 215 N LEU A 14 -6.516 -0.552 -2.579 1.00 0.00 N ATOM 216 CA LEU A 14 -6.019 0.321 -1.522 1.00 0.00 C ATOM 217 C LEU A 14 -7.173 0.953 -0.749 1.00 0.00 C ATOM 218 O LEU A 14 -7.103 1.113 0.469 1.00 0.00 O ATOM 219 CB LEU A 14 -5.125 1.414 -2.111 1.00 0.00 C ATOM 220 CG LEU A 14 -4.222 2.125 -1.102 1.00 0.00 C ATOM 221 CD1 LEU A 14 -2.952 2.618 -1.777 1.00 0.00 C ATOM 222 CD2 LEU A 14 -4.964 3.281 -0.447 1.00 0.00 C ATOM 0 H LEU A 14 -6.328 -0.219 -3.525 1.00 0.00 H new ATOM 0 HA LEU A 14 -5.432 -0.285 -0.832 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.500 0.972 -2.887 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -5.758 2.157 -2.596 1.00 0.00 H new ATOM 0 HG LEU A 14 -3.942 1.412 -0.326 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.322 3.121 -1.044 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.412 1.771 -2.199 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.211 3.316 -2.573 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.307 3.776 0.268 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.273 3.995 -1.211 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.844 2.901 0.071 1.00 0.00 H new ATOM 234 N ALA A 15 -8.233 1.310 -1.466 1.00 0.00 N ATOM 235 CA ALA A 15 -9.401 1.926 -0.847 1.00 0.00 C ATOM 236 C ALA A 15 -10.086 0.961 0.115 1.00 0.00 C ATOM 237 O ALA A 15 -10.410 1.323 1.246 1.00 0.00 O ATOM 238 CB ALA A 15 -10.378 2.393 -1.915 1.00 0.00 C ATOM 0 H ALA A 15 -8.308 1.184 -2.475 1.00 0.00 H new ATOM 0 HA ALA A 15 -9.065 2.790 -0.274 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -11.245 2.851 -1.439 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -9.890 3.124 -2.560 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -10.700 1.540 -2.512 1.00 0.00 H new ATOM 244 N THR A 16 -10.307 -0.267 -0.343 1.00 0.00 N ATOM 245 CA THR A 16 -10.956 -1.283 0.477 1.00 0.00 C ATOM 246 C THR A 16 -10.089 -1.653 1.677 1.00 0.00 C ATOM 247 O THR A 16 -10.597 -1.889 2.773 1.00 0.00 O ATOM 248 CB THR A 16 -11.251 -2.530 -0.357 1.00 0.00 C ATOM 249 OG1 THR A 16 -11.921 -2.184 -1.556 1.00 0.00 O ATOM 250 CG2 THR A 16 -12.105 -3.547 0.369 1.00 0.00 C ATOM 0 H THR A 16 -10.046 -0.582 -1.277 1.00 0.00 H new ATOM 0 HA THR A 16 -11.895 -0.870 0.845 1.00 0.00 H new ATOM 0 HB THR A 16 -10.278 -2.977 -0.563 1.00 0.00 H new ATOM 0 HG1 THR A 16 -11.275 -1.823 -2.199 1.00 0.00 H new ATOM 0 HG21 THR A 16 -12.277 -4.407 -0.279 1.00 0.00 H new ATOM 0 HG22 THR A 16 -11.593 -3.872 1.275 1.00 0.00 H new ATOM 0 HG23 THR A 16 -13.061 -3.096 0.634 1.00 0.00 H new ATOM 258 N LEU A 17 -8.778 -1.703 1.462 1.00 0.00 N ATOM 259 CA LEU A 17 -7.842 -2.047 2.526 1.00 0.00 C ATOM 260 C LEU A 17 -7.691 -0.893 3.514 1.00 0.00 C ATOM 261 O LEU A 17 -7.610 -1.106 4.724 1.00 0.00 O ATOM 262 CB LEU A 17 -6.478 -2.412 1.936 1.00 0.00 C ATOM 263 CG LEU A 17 -5.797 -3.621 2.578 1.00 0.00 C ATOM 264 CD1 LEU A 17 -4.443 -3.878 1.933 1.00 0.00 C ATOM 265 CD2 LEU A 17 -5.644 -3.411 4.077 1.00 0.00 C ATOM 0 H LEU A 17 -8.340 -1.510 0.561 1.00 0.00 H new ATOM 0 HA LEU A 17 -8.241 -2.909 3.061 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -6.601 -2.607 0.871 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -5.817 -1.550 2.029 1.00 0.00 H new ATOM 0 HG LEU A 17 -6.425 -4.497 2.415 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -3.974 -4.742 2.403 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -4.578 -4.073 0.869 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -3.806 -3.003 2.064 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -5.158 -4.281 4.518 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -5.037 -2.524 4.260 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -6.627 -3.277 4.528 1.00 0.00 H new ATOM 277 N ARG A 18 -7.654 0.327 2.990 1.00 0.00 N ATOM 278 CA ARG A 18 -7.512 1.514 3.826 1.00 0.00 C ATOM 279 C ARG A 18 -8.727 1.693 4.731 1.00 0.00 C ATOM 280 O ARG A 18 -8.608 2.169 5.860 1.00 0.00 O ATOM 281 CB ARG A 18 -7.322 2.758 2.955 1.00 0.00 C ATOM 282 CG ARG A 18 -6.762 3.952 3.712 1.00 0.00 C ATOM 283 CD ARG A 18 -6.079 4.935 2.774 1.00 0.00 C ATOM 284 NE ARG A 18 -4.883 5.522 3.373 1.00 0.00 N ATOM 285 CZ ARG A 18 -4.909 6.518 4.257 1.00 0.00 C ATOM 286 NH1 ARG A 18 -6.066 7.039 4.647 1.00 0.00 N ATOM 287 NH2 ARG A 18 -3.775 6.993 4.752 1.00 0.00 N ATOM 0 H ARG A 18 -7.720 0.520 1.991 1.00 0.00 H new ATOM 0 HA ARG A 18 -6.631 1.381 4.454 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -6.652 2.515 2.130 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -8.281 3.034 2.516 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -7.568 4.456 4.246 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -6.050 3.608 4.462 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -5.809 4.425 1.849 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -6.778 5.728 2.508 1.00 0.00 H new ATOM 0 HE ARG A 18 -3.975 5.147 3.098 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -6.942 6.677 4.269 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -6.079 7.802 5.324 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -2.883 6.596 4.456 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -3.794 7.756 5.429 1.00 0.00 H new ATOM 301 N GLN A 19 -9.896 1.310 4.226 1.00 0.00 N ATOM 302 CA GLN A 19 -11.133 1.430 4.989 1.00 0.00 C ATOM 303 C GLN A 19 -11.266 0.292 5.996 1.00 0.00 C ATOM 304 O GLN A 19 -11.802 0.476 7.089 1.00 0.00 O ATOM 305 CB GLN A 19 -12.339 1.436 4.047 1.00 0.00 C ATOM 306 CG GLN A 19 -12.516 2.746 3.296 1.00 0.00 C ATOM 307 CD GLN A 19 -13.730 2.737 2.386 1.00 0.00 C ATOM 308 OE1 GLN A 19 -13.945 1.790 1.629 1.00 0.00 O ATOM 309 NE2 GLN A 19 -14.530 3.794 2.456 1.00 0.00 N ATOM 0 H GLN A 19 -10.012 0.915 3.293 1.00 0.00 H new ATOM 0 HA GLN A 19 -11.102 2.372 5.536 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -12.231 0.625 3.327 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -13.241 1.232 4.624 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -12.610 3.562 4.013 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -11.623 2.944 2.703 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -14.313 4.556 3.098 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -15.362 3.844 1.868 1.00 0.00 H new ATOM 318 N ARG A 20 -10.775 -0.885 5.621 1.00 0.00 N ATOM 319 CA ARG A 20 -10.839 -2.053 6.493 1.00 0.00 C ATOM 320 C ARG A 20 -9.789 -1.968 7.595 1.00 0.00 C ATOM 321 O ARG A 20 -10.031 -2.379 8.730 1.00 0.00 O ATOM 322 CB ARG A 20 -10.641 -3.333 5.680 1.00 0.00 C ATOM 323 CG ARG A 20 -11.934 -3.904 5.120 1.00 0.00 C ATOM 324 CD ARG A 20 -11.984 -5.417 5.261 1.00 0.00 C ATOM 325 NE ARG A 20 -13.332 -5.894 5.560 1.00 0.00 N ATOM 326 CZ ARG A 20 -13.912 -5.778 6.752 1.00 0.00 C ATOM 327 NH1 ARG A 20 -13.267 -5.200 7.758 1.00 0.00 N ATOM 328 NH2 ARG A 20 -15.141 -6.239 6.939 1.00 0.00 N ATOM 0 H ARG A 20 -10.329 -1.055 4.720 1.00 0.00 H new ATOM 0 HA ARG A 20 -11.825 -2.075 6.958 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -9.957 -3.128 4.856 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -10.165 -4.084 6.310 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -12.783 -3.461 5.640 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -12.027 -3.633 4.068 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -11.632 -5.879 4.339 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -11.304 -5.730 6.054 1.00 0.00 H new ATOM 0 HE ARG A 20 -13.860 -6.342 4.811 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -12.322 -4.842 7.619 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -13.716 -5.114 8.670 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -15.642 -6.683 6.169 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -15.586 -6.150 7.853 1.00 0.00 H new ATOM 342 N CYS A 21 -8.622 -1.433 7.254 1.00 0.00 N ATOM 343 CA CYS A 21 -7.534 -1.294 8.215 1.00 0.00 C ATOM 344 C CYS A 21 -7.437 0.138 8.740 1.00 0.00 C ATOM 345 O CYS A 21 -6.440 0.515 9.355 1.00 0.00 O ATOM 346 CB CYS A 21 -6.207 -1.705 7.576 1.00 0.00 C ATOM 347 SG CYS A 21 -5.882 -3.483 7.628 1.00 0.00 S ATOM 0 H CYS A 21 -8.405 -1.088 6.319 1.00 0.00 H new ATOM 0 HA CYS A 21 -7.747 -1.952 9.057 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -6.199 -1.375 6.537 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -5.395 -1.183 8.083 1.00 0.00 H new ATOM 0 HG CYS A 21 -4.739 -3.732 7.062 1.00 0.00 H new ATOM 353 N ALA A 22 -8.474 0.934 8.493 1.00 0.00 N ATOM 354 CA ALA A 22 -8.495 2.321 8.942 1.00 0.00 C ATOM 355 C ALA A 22 -8.567 2.414 10.465 1.00 0.00 C ATOM 356 O ALA A 22 -7.734 3.066 11.095 1.00 0.00 O ATOM 357 CB ALA A 22 -9.664 3.062 8.309 1.00 0.00 C ATOM 0 H ALA A 22 -9.309 0.642 7.985 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.564 2.790 8.624 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -9.668 4.096 8.653 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -9.564 3.040 7.224 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -10.599 2.580 8.597 1.00 0.00 H new ATOM 363 N PRO A 23 -9.577 1.771 11.079 1.00 0.00 N ATOM 364 CA PRO A 23 -9.766 1.792 12.530 1.00 0.00 C ATOM 365 C PRO A 23 -8.978 0.705 13.258 1.00 0.00 C ATOM 366 O PRO A 23 -9.473 0.109 14.214 1.00 0.00 O ATOM 367 CB PRO A 23 -11.263 1.537 12.662 1.00 0.00 C ATOM 368 CG PRO A 23 -11.586 0.630 11.522 1.00 0.00 C ATOM 369 CD PRO A 23 -10.628 0.982 10.407 1.00 0.00 C ATOM 0 HA PRO A 23 -9.415 2.723 12.976 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -11.505 1.074 13.619 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -11.831 2.466 12.605 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -11.474 -0.414 11.814 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -12.619 0.763 11.202 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -10.218 0.089 9.936 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -11.121 1.558 9.624 1.00 0.00 H new ATOM 377 N VAL A 24 -7.753 0.448 12.808 1.00 0.00 N ATOM 378 CA VAL A 24 -6.914 -0.570 13.433 1.00 0.00 C ATOM 379 C VAL A 24 -5.586 0.012 13.915 1.00 0.00 C ATOM 380 O VAL A 24 -4.627 -0.724 14.148 1.00 0.00 O ATOM 381 CB VAL A 24 -6.634 -1.739 12.468 1.00 0.00 C ATOM 382 CG1 VAL A 24 -7.938 -2.363 11.995 1.00 0.00 C ATOM 383 CG2 VAL A 24 -5.793 -1.276 11.286 1.00 0.00 C ATOM 0 H VAL A 24 -7.321 0.927 12.018 1.00 0.00 H new ATOM 0 HA VAL A 24 -7.469 -0.943 14.294 1.00 0.00 H new ATOM 0 HB VAL A 24 -6.067 -2.499 13.005 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -7.721 -3.187 11.315 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -8.494 -2.739 12.854 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -8.534 -1.612 11.477 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -5.608 -2.118 10.619 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -6.326 -0.494 10.745 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -4.842 -0.884 11.647 1.00 0.00 H new ATOM 393 N SER A 25 -5.534 1.333 14.063 1.00 0.00 N ATOM 394 CA SER A 25 -4.319 2.000 14.517 1.00 0.00 C ATOM 395 C SER A 25 -4.039 1.690 15.985 1.00 0.00 C ATOM 396 O SER A 25 -2.887 1.676 16.417 1.00 0.00 O ATOM 397 CB SER A 25 -4.439 3.512 14.318 1.00 0.00 C ATOM 398 OG SER A 25 -5.764 3.954 14.555 1.00 0.00 O ATOM 0 H SER A 25 -6.316 1.960 13.876 1.00 0.00 H new ATOM 0 HA SER A 25 -3.486 1.625 13.922 1.00 0.00 H new ATOM 0 HB2 SER A 25 -3.755 4.026 14.993 1.00 0.00 H new ATOM 0 HB3 SER A 25 -4.141 3.773 13.302 1.00 0.00 H new ATOM 0 HG SER A 25 -5.814 4.924 14.423 1.00 0.00 H new ATOM 404 N GLN A 26 -5.100 1.445 16.747 1.00 0.00 N ATOM 405 CA GLN A 26 -4.966 1.138 18.167 1.00 0.00 C ATOM 406 C GLN A 26 -4.341 -0.239 18.372 1.00 0.00 C ATOM 407 O GLN A 26 -3.552 -0.441 19.295 1.00 0.00 O ATOM 408 CB GLN A 26 -6.332 1.198 18.855 1.00 0.00 C ATOM 409 CG GLN A 26 -6.658 2.563 19.439 1.00 0.00 C ATOM 410 CD GLN A 26 -5.966 2.811 20.765 1.00 0.00 C ATOM 411 OE1 GLN A 26 -6.075 2.011 21.695 1.00 0.00 O ATOM 412 NE2 GLN A 26 -5.248 3.924 20.859 1.00 0.00 N ATOM 0 H GLN A 26 -6.061 1.453 16.406 1.00 0.00 H new ATOM 0 HA GLN A 26 -4.309 1.885 18.613 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -7.104 0.926 18.136 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -6.362 0.454 19.651 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -6.364 3.337 18.730 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -7.736 2.648 19.575 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -5.185 4.559 20.063 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -4.759 4.144 21.727 1.00 0.00 H new ATOM 421 N PHE A 27 -4.700 -1.182 17.507 1.00 0.00 N ATOM 422 CA PHE A 27 -4.174 -2.540 17.595 1.00 0.00 C ATOM 423 C PHE A 27 -3.407 -2.913 16.329 1.00 0.00 C ATOM 424 O PHE A 27 -3.302 -4.089 15.980 1.00 0.00 O ATOM 425 CB PHE A 27 -5.313 -3.535 17.828 1.00 0.00 C ATOM 426 CG PHE A 27 -5.889 -3.473 19.213 1.00 0.00 C ATOM 427 CD1 PHE A 27 -5.088 -3.698 20.322 1.00 0.00 C ATOM 428 CD2 PHE A 27 -7.231 -3.190 19.408 1.00 0.00 C ATOM 429 CE1 PHE A 27 -5.615 -3.641 21.598 1.00 0.00 C ATOM 430 CE2 PHE A 27 -7.764 -3.132 20.682 1.00 0.00 C ATOM 431 CZ PHE A 27 -6.955 -3.358 21.778 1.00 0.00 C ATOM 0 H PHE A 27 -5.352 -1.031 16.738 1.00 0.00 H new ATOM 0 HA PHE A 27 -3.485 -2.581 18.439 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -6.106 -3.344 17.105 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -4.947 -4.544 17.640 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -4.040 -3.920 20.187 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -7.868 -3.013 18.554 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -4.980 -3.817 22.454 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -8.812 -2.910 20.820 1.00 0.00 H new ATOM 0 HZ PHE A 27 -7.369 -3.314 22.774 1.00 0.00 H new ATOM 441 N ALA A 28 -2.874 -1.906 15.646 1.00 0.00 N ATOM 442 CA ALA A 28 -2.119 -2.128 14.420 1.00 0.00 C ATOM 443 C ALA A 28 -0.770 -2.775 14.716 1.00 0.00 C ATOM 444 O ALA A 28 0.023 -2.250 15.498 1.00 0.00 O ATOM 445 CB ALA A 28 -1.925 -0.816 13.676 1.00 0.00 C ATOM 0 H ALA A 28 -2.951 -0.927 15.922 1.00 0.00 H new ATOM 0 HA ALA A 28 -2.689 -2.810 13.789 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -1.359 -0.996 12.762 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -2.898 -0.394 13.424 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -1.379 -0.116 14.309 1.00 0.00 H new ATOM 451 N THR A 29 -0.517 -3.917 14.086 1.00 0.00 N ATOM 452 CA THR A 29 0.736 -4.636 14.281 1.00 0.00 C ATOM 453 C THR A 29 1.148 -5.367 13.006 1.00 0.00 C ATOM 454 O THR A 29 0.355 -6.102 12.417 1.00 0.00 O ATOM 455 CB THR A 29 0.603 -5.633 15.433 1.00 0.00 C ATOM 456 OG1 THR A 29 1.774 -6.422 15.552 1.00 0.00 O ATOM 457 CG2 THR A 29 -0.571 -6.575 15.278 1.00 0.00 C ATOM 0 H THR A 29 -1.163 -4.364 13.436 1.00 0.00 H new ATOM 0 HA THR A 29 1.509 -3.908 14.527 1.00 0.00 H new ATOM 0 HB THR A 29 0.444 -5.025 16.323 1.00 0.00 H new ATOM 0 HG1 THR A 29 1.670 -7.052 16.295 1.00 0.00 H new ATOM 0 HG21 THR A 29 -0.607 -7.255 16.129 1.00 0.00 H new ATOM 0 HG22 THR A 29 -1.496 -6.000 15.234 1.00 0.00 H new ATOM 0 HG23 THR A 29 -0.457 -7.150 14.359 1.00 0.00 H new ATOM 465 N LEU A 30 2.392 -5.158 12.586 1.00 0.00 N ATOM 466 CA LEU A 30 2.909 -5.797 11.381 1.00 0.00 C ATOM 467 C LEU A 30 3.647 -7.087 11.724 1.00 0.00 C ATOM 468 O LEU A 30 4.236 -7.211 12.797 1.00 0.00 O ATOM 469 CB LEU A 30 3.843 -4.841 10.633 1.00 0.00 C ATOM 470 CG LEU A 30 3.238 -4.183 9.392 1.00 0.00 C ATOM 471 CD1 LEU A 30 4.276 -3.326 8.684 1.00 0.00 C ATOM 472 CD2 LEU A 30 2.681 -5.238 8.448 1.00 0.00 C ATOM 0 H LEU A 30 3.060 -4.552 13.062 1.00 0.00 H new ATOM 0 HA LEU A 30 2.064 -6.044 10.738 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.163 -4.058 11.321 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.737 -5.389 10.335 1.00 0.00 H new ATOM 0 HG LEU A 30 2.418 -3.538 9.708 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.828 -2.866 7.803 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.628 -2.548 9.361 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.116 -3.950 8.380 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.254 -4.752 7.570 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.483 -5.908 8.138 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.906 -5.810 8.958 1.00 0.00 H new ATOM 484 N SER A 31 3.611 -8.045 10.803 1.00 0.00 N ATOM 485 CA SER A 31 4.278 -9.326 11.007 1.00 0.00 C ATOM 486 C SER A 31 5.794 -9.158 10.994 1.00 0.00 C ATOM 487 O SER A 31 6.306 -8.065 10.752 1.00 0.00 O ATOM 488 CB SER A 31 3.855 -10.322 9.926 1.00 0.00 C ATOM 489 OG SER A 31 4.060 -11.657 10.354 1.00 0.00 O ATOM 0 H SER A 31 3.128 -7.959 9.909 1.00 0.00 H new ATOM 0 HA SER A 31 3.981 -9.711 11.983 1.00 0.00 H new ATOM 0 HB2 SER A 31 2.803 -10.173 9.681 1.00 0.00 H new ATOM 0 HB3 SER A 31 4.424 -10.138 9.015 1.00 0.00 H new ATOM 0 HG SER A 31 3.780 -12.274 9.646 1.00 0.00 H new ATOM 495 N ALA A 32 6.506 -10.249 11.257 1.00 0.00 N ATOM 496 CA ALA A 32 7.965 -10.224 11.277 1.00 0.00 C ATOM 497 C ALA A 32 8.550 -10.476 9.888 1.00 0.00 C ATOM 498 O ALA A 32 9.769 -10.529 9.723 1.00 0.00 O ATOM 499 CB ALA A 32 8.494 -11.250 12.267 1.00 0.00 C ATOM 0 H ALA A 32 6.097 -11.161 11.459 1.00 0.00 H new ATOM 0 HA ALA A 32 8.278 -9.229 11.593 1.00 0.00 H new ATOM 0 HB1 ALA A 32 9.584 -11.222 12.273 1.00 0.00 H new ATOM 0 HB2 ALA A 32 8.120 -11.020 13.264 1.00 0.00 H new ATOM 0 HB3 ALA A 32 8.158 -12.245 11.974 1.00 0.00 H new ATOM 505 N ARG A 33 7.681 -10.632 8.891 1.00 0.00 N ATOM 506 CA ARG A 33 8.126 -10.880 7.524 1.00 0.00 C ATOM 507 C ARG A 33 8.229 -9.578 6.731 1.00 0.00 C ATOM 508 O ARG A 33 8.201 -9.588 5.501 1.00 0.00 O ATOM 509 CB ARG A 33 7.164 -11.842 6.822 1.00 0.00 C ATOM 510 CG ARG A 33 7.627 -13.289 6.845 1.00 0.00 C ATOM 511 CD ARG A 33 8.836 -13.501 5.948 1.00 0.00 C ATOM 512 NE ARG A 33 9.081 -14.917 5.687 1.00 0.00 N ATOM 513 CZ ARG A 33 10.238 -15.399 5.238 1.00 0.00 C ATOM 514 NH1 ARG A 33 11.257 -14.582 4.998 1.00 0.00 N ATOM 515 NH2 ARG A 33 10.378 -16.700 5.029 1.00 0.00 N ATOM 0 H ARG A 33 6.668 -10.591 9.005 1.00 0.00 H new ATOM 0 HA ARG A 33 9.117 -11.331 7.570 1.00 0.00 H new ATOM 0 HB2 ARG A 33 6.185 -11.775 7.297 1.00 0.00 H new ATOM 0 HB3 ARG A 33 7.038 -11.526 5.786 1.00 0.00 H new ATOM 0 HG2 ARG A 33 7.876 -13.576 7.867 1.00 0.00 H new ATOM 0 HG3 ARG A 33 6.813 -13.938 6.520 1.00 0.00 H new ATOM 0 HD2 ARG A 33 8.683 -12.979 5.003 1.00 0.00 H new ATOM 0 HD3 ARG A 33 9.717 -13.061 6.416 1.00 0.00 H new ATOM 0 HE ARG A 33 8.321 -15.575 5.859 1.00 0.00 H new ATOM 0 HH11 ARG A 33 11.156 -13.580 5.158 1.00 0.00 H new ATOM 0 HH12 ARG A 33 12.141 -14.957 4.654 1.00 0.00 H new ATOM 0 HH21 ARG A 33 9.599 -17.333 5.212 1.00 0.00 H new ATOM 0 HH22 ARG A 33 11.265 -17.069 4.685 1.00 0.00 H new ATOM 529 N PHE A 34 8.348 -8.458 7.440 1.00 0.00 N ATOM 530 CA PHE A 34 8.454 -7.157 6.801 1.00 0.00 C ATOM 531 C PHE A 34 9.780 -7.017 6.060 1.00 0.00 C ATOM 532 O PHE A 34 10.829 -7.425 6.560 1.00 0.00 O ATOM 533 CB PHE A 34 8.323 -6.055 7.850 1.00 0.00 C ATOM 534 CG PHE A 34 9.419 -6.068 8.876 1.00 0.00 C ATOM 535 CD1 PHE A 34 9.300 -6.832 10.027 1.00 0.00 C ATOM 536 CD2 PHE A 34 10.569 -5.318 8.690 1.00 0.00 C ATOM 537 CE1 PHE A 34 10.308 -6.846 10.972 1.00 0.00 C ATOM 538 CE2 PHE A 34 11.580 -5.329 9.632 1.00 0.00 C ATOM 539 CZ PHE A 34 11.449 -6.094 10.775 1.00 0.00 C ATOM 0 H PHE A 34 8.373 -8.430 8.459 1.00 0.00 H new ATOM 0 HA PHE A 34 7.648 -7.064 6.074 1.00 0.00 H new ATOM 0 HB2 PHE A 34 8.317 -5.087 7.349 1.00 0.00 H new ATOM 0 HB3 PHE A 34 7.363 -6.158 8.355 1.00 0.00 H new ATOM 0 HD1 PHE A 34 8.410 -7.422 10.187 1.00 0.00 H new ATOM 0 HD2 PHE A 34 10.677 -4.718 7.799 1.00 0.00 H new ATOM 0 HE1 PHE A 34 10.203 -7.445 11.865 1.00 0.00 H new ATOM 0 HE2 PHE A 34 12.472 -4.740 9.475 1.00 0.00 H new ATOM 0 HZ PHE A 34 12.238 -6.104 11.513 1.00 0.00 H new ATOM 549 N ASP A 35 9.726 -6.436 4.865 1.00 0.00 N ATOM 550 CA ASP A 35 10.923 -6.240 4.055 1.00 0.00 C ATOM 551 C ASP A 35 11.202 -4.753 3.856 1.00 0.00 C ATOM 552 O ASP A 35 10.314 -3.991 3.477 1.00 0.00 O ATOM 553 CB ASP A 35 10.764 -6.929 2.697 1.00 0.00 C ATOM 554 CG ASP A 35 11.505 -8.250 2.630 1.00 0.00 C ATOM 555 OD1 ASP A 35 12.709 -8.273 2.962 1.00 0.00 O ATOM 556 OD2 ASP A 35 10.881 -9.262 2.247 1.00 0.00 O ATOM 0 H ASP A 35 8.866 -6.093 4.437 1.00 0.00 H new ATOM 0 HA ASP A 35 11.768 -6.684 4.581 1.00 0.00 H new ATOM 0 HB2 ASP A 35 9.705 -7.099 2.500 1.00 0.00 H new ATOM 0 HB3 ASP A 35 11.132 -6.269 1.912 1.00 0.00 H new ATOM 561 N ARG A 36 12.440 -4.348 4.116 1.00 0.00 N ATOM 562 CA ARG A 36 12.834 -2.951 3.966 1.00 0.00 C ATOM 563 C ARG A 36 12.890 -2.550 2.493 1.00 0.00 C ATOM 564 O ARG A 36 12.788 -1.369 2.159 1.00 0.00 O ATOM 565 CB ARG A 36 14.194 -2.710 4.623 1.00 0.00 C ATOM 566 CG ARG A 36 14.322 -1.341 5.271 1.00 0.00 C ATOM 567 CD ARG A 36 14.862 -1.440 6.690 1.00 0.00 C ATOM 568 NE ARG A 36 13.793 -1.608 7.672 1.00 0.00 N ATOM 569 CZ ARG A 36 13.986 -2.066 8.906 1.00 0.00 C ATOM 570 NH1 ARG A 36 15.203 -2.404 9.314 1.00 0.00 N ATOM 571 NH2 ARG A 36 12.959 -2.188 9.736 1.00 0.00 N ATOM 0 H ARG A 36 13.188 -4.966 4.431 1.00 0.00 H new ATOM 0 HA ARG A 36 12.083 -2.335 4.461 1.00 0.00 H new ATOM 0 HB2 ARG A 36 14.365 -3.478 5.378 1.00 0.00 H new ATOM 0 HB3 ARG A 36 14.976 -2.822 3.872 1.00 0.00 H new ATOM 0 HG2 ARG A 36 14.984 -0.715 4.672 1.00 0.00 H new ATOM 0 HG3 ARG A 36 13.348 -0.852 5.285 1.00 0.00 H new ATOM 0 HD2 ARG A 36 15.552 -2.281 6.758 1.00 0.00 H new ATOM 0 HD3 ARG A 36 15.432 -0.541 6.925 1.00 0.00 H new ATOM 0 HE ARG A 36 12.843 -1.360 7.395 1.00 0.00 H new ATOM 0 HH11 ARG A 36 15.997 -2.313 8.680 1.00 0.00 H new ATOM 0 HH12 ARG A 36 15.344 -2.754 10.261 1.00 0.00 H new ATOM 0 HH21 ARG A 36 12.021 -1.931 9.428 1.00 0.00 H new ATOM 0 HH22 ARG A 36 13.107 -2.539 10.682 1.00 0.00 H new ATOM 585 N HIS A 37 13.056 -3.537 1.617 1.00 0.00 N ATOM 586 CA HIS A 37 13.129 -3.282 0.183 1.00 0.00 C ATOM 587 C HIS A 37 11.738 -3.071 -0.411 1.00 0.00 C ATOM 588 O HIS A 37 11.580 -2.364 -1.406 1.00 0.00 O ATOM 589 CB HIS A 37 13.829 -4.444 -0.525 1.00 0.00 C ATOM 590 CG HIS A 37 15.197 -4.101 -1.030 1.00 0.00 C ATOM 591 ND1 HIS A 37 15.646 -4.455 -2.285 1.00 0.00 N ATOM 592 CD2 HIS A 37 16.217 -3.432 -0.442 1.00 0.00 C ATOM 593 CE1 HIS A 37 16.884 -4.020 -2.446 1.00 0.00 C ATOM 594 NE2 HIS A 37 17.252 -3.396 -1.343 1.00 0.00 N ATOM 0 H HIS A 37 13.142 -4.520 1.876 1.00 0.00 H new ATOM 0 HA HIS A 37 13.706 -2.370 0.032 1.00 0.00 H new ATOM 0 HB2 HIS A 37 13.905 -5.285 0.164 1.00 0.00 H new ATOM 0 HB3 HIS A 37 13.213 -4.772 -1.362 1.00 0.00 H new ATOM 0 HD2 HIS A 37 16.216 -3.006 0.551 1.00 0.00 H new ATOM 0 HE1 HIS A 37 17.491 -4.153 -3.330 1.00 0.00 H new ATOM 0 HE2 HIS A 37 18.159 -2.958 -1.185 1.00 0.00 H new ATOM 603 N LEU A 38 10.734 -3.692 0.200 1.00 0.00 N ATOM 604 CA LEU A 38 9.360 -3.573 -0.276 1.00 0.00 C ATOM 605 C LEU A 38 8.567 -2.571 0.559 1.00 0.00 C ATOM 606 O LEU A 38 7.580 -2.005 0.091 1.00 0.00 O ATOM 607 CB LEU A 38 8.670 -4.938 -0.244 1.00 0.00 C ATOM 608 CG LEU A 38 9.391 -6.046 -1.013 1.00 0.00 C ATOM 609 CD1 LEU A 38 8.677 -7.376 -0.830 1.00 0.00 C ATOM 610 CD2 LEU A 38 9.490 -5.691 -2.489 1.00 0.00 C ATOM 0 H LEU A 38 10.846 -4.282 1.025 1.00 0.00 H new ATOM 0 HA LEU A 38 9.393 -3.209 -1.303 1.00 0.00 H new ATOM 0 HB2 LEU A 38 8.562 -5.249 0.795 1.00 0.00 H new ATOM 0 HB3 LEU A 38 7.665 -4.829 -0.651 1.00 0.00 H new ATOM 0 HG LEU A 38 10.400 -6.142 -0.613 1.00 0.00 H new ATOM 0 HD11 LEU A 38 9.205 -8.152 -1.385 1.00 0.00 H new ATOM 0 HD12 LEU A 38 8.658 -7.636 0.228 1.00 0.00 H new ATOM 0 HD13 LEU A 38 7.656 -7.295 -1.202 1.00 0.00 H new ATOM 0 HD21 LEU A 38 10.006 -6.490 -3.022 1.00 0.00 H new ATOM 0 HD22 LEU A 38 8.489 -5.567 -2.901 1.00 0.00 H new ATOM 0 HD23 LEU A 38 10.047 -4.761 -2.603 1.00 0.00 H new ATOM 622 N PHE A 39 9.003 -2.356 1.796 1.00 0.00 N ATOM 623 CA PHE A 39 8.329 -1.423 2.692 1.00 0.00 C ATOM 624 C PHE A 39 9.213 -0.216 2.986 1.00 0.00 C ATOM 625 O PHE A 39 10.417 -0.237 2.728 1.00 0.00 O ATOM 626 CB PHE A 39 7.953 -2.121 4.001 1.00 0.00 C ATOM 627 CG PHE A 39 6.975 -3.248 3.823 1.00 0.00 C ATOM 628 CD1 PHE A 39 7.313 -4.366 3.077 1.00 0.00 C ATOM 629 CD2 PHE A 39 5.718 -3.189 4.403 1.00 0.00 C ATOM 630 CE1 PHE A 39 6.416 -5.404 2.914 1.00 0.00 C ATOM 631 CE2 PHE A 39 4.817 -4.224 4.243 1.00 0.00 C ATOM 632 CZ PHE A 39 5.166 -5.333 3.497 1.00 0.00 C ATOM 0 H PHE A 39 9.819 -2.815 2.201 1.00 0.00 H new ATOM 0 HA PHE A 39 7.422 -1.076 2.197 1.00 0.00 H new ATOM 0 HB2 PHE A 39 8.858 -2.507 4.470 1.00 0.00 H new ATOM 0 HB3 PHE A 39 7.528 -1.387 4.685 1.00 0.00 H new ATOM 0 HD1 PHE A 39 8.289 -4.426 2.618 1.00 0.00 H new ATOM 0 HD2 PHE A 39 5.439 -2.324 4.987 1.00 0.00 H new ATOM 0 HE1 PHE A 39 6.692 -6.270 2.331 1.00 0.00 H new ATOM 0 HE2 PHE A 39 3.841 -4.166 4.701 1.00 0.00 H new ATOM 0 HZ PHE A 39 4.463 -6.143 3.370 1.00 0.00 H new ATOM 642 N GLN A 40 8.607 0.835 3.527 1.00 0.00 N ATOM 643 CA GLN A 40 9.338 2.053 3.857 1.00 0.00 C ATOM 644 C GLN A 40 9.767 2.049 5.321 1.00 0.00 C ATOM 645 O GLN A 40 9.408 1.149 6.081 1.00 0.00 O ATOM 646 CB GLN A 40 8.476 3.285 3.565 1.00 0.00 C ATOM 647 CG GLN A 40 9.059 4.194 2.496 1.00 0.00 C ATOM 648 CD GLN A 40 8.005 4.728 1.546 1.00 0.00 C ATOM 649 OE1 GLN A 40 7.540 4.018 0.654 1.00 0.00 O ATOM 650 NE2 GLN A 40 7.623 5.986 1.732 1.00 0.00 N ATOM 0 H GLN A 40 7.611 0.868 3.746 1.00 0.00 H new ATOM 0 HA GLN A 40 10.233 2.091 3.236 1.00 0.00 H new ATOM 0 HB2 GLN A 40 7.484 2.959 3.252 1.00 0.00 H new ATOM 0 HB3 GLN A 40 8.348 3.855 4.485 1.00 0.00 H new ATOM 0 HG2 GLN A 40 9.569 5.030 2.974 1.00 0.00 H new ATOM 0 HG3 GLN A 40 9.810 3.645 1.928 1.00 0.00 H new ATOM 0 HE21 GLN A 40 8.035 6.538 2.484 1.00 0.00 H new ATOM 0 HE22 GLN A 40 6.917 6.400 1.123 1.00 0.00 H new ATOM 659 N THR A 41 10.536 3.060 5.710 1.00 0.00 N ATOM 660 CA THR A 41 11.015 3.174 7.083 1.00 0.00 C ATOM 661 C THR A 41 9.860 3.429 8.048 1.00 0.00 C ATOM 662 O THR A 41 9.944 3.101 9.231 1.00 0.00 O ATOM 663 CB THR A 41 12.044 4.300 7.194 1.00 0.00 C ATOM 664 OG1 THR A 41 12.881 4.329 6.051 1.00 0.00 O ATOM 665 CG2 THR A 41 12.935 4.179 8.412 1.00 0.00 C ATOM 0 H THR A 41 10.841 3.813 5.093 1.00 0.00 H new ATOM 0 HA THR A 41 11.487 2.229 7.354 1.00 0.00 H new ATOM 0 HB THR A 41 11.461 5.217 7.280 1.00 0.00 H new ATOM 0 HG1 THR A 41 13.531 5.057 6.140 1.00 0.00 H new ATOM 0 HG21 THR A 41 13.641 5.009 8.430 1.00 0.00 H new ATOM 0 HG22 THR A 41 12.324 4.203 9.314 1.00 0.00 H new ATOM 0 HG23 THR A 41 13.482 3.237 8.370 1.00 0.00 H new ATOM 673 N ARG A 42 8.782 4.018 7.536 1.00 0.00 N ATOM 674 CA ARG A 42 7.613 4.318 8.356 1.00 0.00 C ATOM 675 C ARG A 42 6.565 3.211 8.253 1.00 0.00 C ATOM 676 O ARG A 42 5.387 3.434 8.531 1.00 0.00 O ATOM 677 CB ARG A 42 7.002 5.657 7.935 1.00 0.00 C ATOM 678 CG ARG A 42 6.677 6.572 9.104 1.00 0.00 C ATOM 679 CD ARG A 42 5.440 6.102 9.852 1.00 0.00 C ATOM 680 NE ARG A 42 4.757 7.204 10.526 1.00 0.00 N ATOM 681 CZ ARG A 42 5.242 7.836 11.592 1.00 0.00 C ATOM 682 NH1 ARG A 42 6.411 7.480 12.109 1.00 0.00 N ATOM 683 NH2 ARG A 42 4.555 8.828 12.144 1.00 0.00 N ATOM 0 H ARG A 42 8.695 4.296 6.559 1.00 0.00 H new ATOM 0 HA ARG A 42 7.939 4.382 9.394 1.00 0.00 H new ATOM 0 HB2 ARG A 42 7.694 6.168 7.266 1.00 0.00 H new ATOM 0 HB3 ARG A 42 6.091 5.469 7.368 1.00 0.00 H new ATOM 0 HG2 ARG A 42 7.526 6.606 9.787 1.00 0.00 H new ATOM 0 HG3 ARG A 42 6.520 7.587 8.740 1.00 0.00 H new ATOM 0 HD2 ARG A 42 4.754 5.623 9.153 1.00 0.00 H new ATOM 0 HD3 ARG A 42 5.725 5.348 10.586 1.00 0.00 H new ATOM 0 HE ARG A 42 3.855 7.507 10.158 1.00 0.00 H new ATOM 0 HH11 ARG A 42 6.943 6.718 11.689 1.00 0.00 H new ATOM 0 HH12 ARG A 42 6.777 7.968 12.926 1.00 0.00 H new ATOM 0 HH21 ARG A 42 3.656 9.106 11.751 1.00 0.00 H new ATOM 0 HH22 ARG A 42 4.926 9.313 12.961 1.00 0.00 H new ATOM 697 N ALA A 43 6.999 2.018 7.854 1.00 0.00 N ATOM 698 CA ALA A 43 6.093 0.883 7.718 1.00 0.00 C ATOM 699 C ALA A 43 6.423 -0.206 8.733 1.00 0.00 C ATOM 700 O ALA A 43 7.140 -1.158 8.425 1.00 0.00 O ATOM 701 CB ALA A 43 6.156 0.325 6.304 1.00 0.00 C ATOM 0 H ALA A 43 7.970 1.813 7.620 1.00 0.00 H new ATOM 0 HA ALA A 43 5.079 1.232 7.915 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.475 -0.522 6.216 1.00 0.00 H new ATOM 0 HB2 ALA A 43 5.866 1.099 5.594 1.00 0.00 H new ATOM 0 HB3 ALA A 43 7.173 -0.003 6.087 1.00 0.00 H new ATOM 707 N THR A 44 5.894 -0.061 9.943 1.00 0.00 N ATOM 708 CA THR A 44 6.132 -1.034 11.004 1.00 0.00 C ATOM 709 C THR A 44 4.821 -1.481 11.650 1.00 0.00 C ATOM 710 O THR A 44 4.826 -2.095 12.717 1.00 0.00 O ATOM 711 CB THR A 44 7.060 -0.444 12.066 1.00 0.00 C ATOM 712 OG1 THR A 44 6.607 0.835 12.473 1.00 0.00 O ATOM 713 CG2 THR A 44 8.491 -0.296 11.597 1.00 0.00 C ATOM 0 H THR A 44 5.298 0.721 10.214 1.00 0.00 H new ATOM 0 HA THR A 44 6.607 -1.907 10.556 1.00 0.00 H new ATOM 0 HB THR A 44 7.038 -1.153 12.893 1.00 0.00 H new ATOM 0 HG1 THR A 44 7.213 1.195 13.154 1.00 0.00 H new ATOM 0 HG21 THR A 44 9.095 0.128 12.399 1.00 0.00 H new ATOM 0 HG22 THR A 44 8.887 -1.274 11.323 1.00 0.00 H new ATOM 0 HG23 THR A 44 8.523 0.364 10.730 1.00 0.00 H new ATOM 721 N THR A 45 3.700 -1.171 11.003 1.00 0.00 N ATOM 722 CA THR A 45 2.392 -1.545 11.525 1.00 0.00 C ATOM 723 C THR A 45 1.319 -1.430 10.447 1.00 0.00 C ATOM 724 O THR A 45 1.562 -0.882 9.371 1.00 0.00 O ATOM 725 CB THR A 45 2.026 -0.662 12.719 1.00 0.00 C ATOM 726 OG1 THR A 45 2.574 0.635 12.570 1.00 0.00 O ATOM 727 CG2 THR A 45 2.510 -1.216 14.042 1.00 0.00 C ATOM 0 H THR A 45 3.673 -0.663 10.119 1.00 0.00 H new ATOM 0 HA THR A 45 2.444 -2.584 11.850 1.00 0.00 H new ATOM 0 HB THR A 45 0.937 -0.631 12.733 1.00 0.00 H new ATOM 0 HG1 THR A 45 2.327 1.185 13.343 1.00 0.00 H new ATOM 0 HG21 THR A 45 2.218 -0.542 14.847 1.00 0.00 H new ATOM 0 HG22 THR A 45 2.065 -2.197 14.210 1.00 0.00 H new ATOM 0 HG23 THR A 45 3.596 -1.308 14.022 1.00 0.00 H new ATOM 735 N LEU A 46 0.131 -1.948 10.743 1.00 0.00 N ATOM 736 CA LEU A 46 -0.980 -1.903 9.800 1.00 0.00 C ATOM 737 C LEU A 46 -1.323 -0.462 9.435 1.00 0.00 C ATOM 738 O LEU A 46 -1.347 -0.097 8.260 1.00 0.00 O ATOM 739 CB LEU A 46 -2.208 -2.597 10.392 1.00 0.00 C ATOM 740 CG LEU A 46 -2.016 -4.076 10.730 1.00 0.00 C ATOM 741 CD1 LEU A 46 -3.215 -4.605 11.503 1.00 0.00 C ATOM 742 CD2 LEU A 46 -1.795 -4.887 9.462 1.00 0.00 C ATOM 0 H LEU A 46 -0.087 -2.404 11.629 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.677 -2.428 8.894 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -2.503 -2.068 11.298 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -3.034 -2.506 9.686 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.131 -4.175 11.359 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -3.062 -5.659 11.735 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -3.328 -4.042 12.429 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.115 -4.494 10.899 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -1.660 -5.937 9.721 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -2.661 -4.783 8.808 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.906 -4.523 8.948 1.00 0.00 H new ATOM 754 N GLN A 47 -1.587 0.352 10.451 1.00 0.00 N ATOM 755 CA GLN A 47 -1.927 1.754 10.238 1.00 0.00 C ATOM 756 C GLN A 47 -0.737 2.515 9.663 1.00 0.00 C ATOM 757 O GLN A 47 -0.902 3.431 8.858 1.00 0.00 O ATOM 758 CB GLN A 47 -2.381 2.397 11.551 1.00 0.00 C ATOM 759 CG GLN A 47 -1.269 2.547 12.576 1.00 0.00 C ATOM 760 CD GLN A 47 -0.631 3.922 12.546 1.00 0.00 C ATOM 761 OE1 GLN A 47 0.565 4.059 12.290 1.00 0.00 O ATOM 762 NE2 GLN A 47 -1.429 4.950 12.809 1.00 0.00 N ATOM 0 H GLN A 47 -1.572 0.065 11.430 1.00 0.00 H new ATOM 0 HA GLN A 47 -2.747 1.802 9.521 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -2.801 3.380 11.337 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -3.181 1.795 11.982 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -1.670 2.358 13.572 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -0.505 1.792 12.391 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -2.415 4.790 13.016 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -1.056 5.899 12.804 1.00 0.00 H new ATOM 771 N ALA A 48 0.463 2.124 10.080 1.00 0.00 N ATOM 772 CA ALA A 48 1.683 2.765 9.604 1.00 0.00 C ATOM 773 C ALA A 48 1.838 2.582 8.099 1.00 0.00 C ATOM 774 O ALA A 48 2.097 3.539 7.370 1.00 0.00 O ATOM 775 CB ALA A 48 2.893 2.205 10.335 1.00 0.00 C ATOM 0 H ALA A 48 0.616 1.367 10.746 1.00 0.00 H new ATOM 0 HA ALA A 48 1.613 3.833 9.811 1.00 0.00 H new ATOM 0 HB1 ALA A 48 3.797 2.693 9.969 1.00 0.00 H new ATOM 0 HB2 ALA A 48 2.789 2.388 11.404 1.00 0.00 H new ATOM 0 HB3 ALA A 48 2.962 1.132 10.156 1.00 0.00 H new ATOM 781 N CYS A 49 1.672 1.345 7.640 1.00 0.00 N ATOM 782 CA CYS A 49 1.788 1.037 6.220 1.00 0.00 C ATOM 783 C CYS A 49 0.684 1.728 5.429 1.00 0.00 C ATOM 784 O CYS A 49 0.890 2.147 4.289 1.00 0.00 O ATOM 785 CB CYS A 49 1.723 -0.476 5.997 1.00 0.00 C ATOM 786 SG CYS A 49 2.814 -1.076 4.686 1.00 0.00 S ATOM 0 H CYS A 49 1.457 0.541 8.230 1.00 0.00 H new ATOM 0 HA CYS A 49 2.752 1.405 5.868 1.00 0.00 H new ATOM 0 HB2 CYS A 49 1.980 -0.981 6.928 1.00 0.00 H new ATOM 0 HB3 CYS A 49 0.697 -0.753 5.756 1.00 0.00 H new ATOM 0 HG CYS A 49 3.426 -2.150 5.088 1.00 0.00 H new ATOM 792 N LEU A 50 -0.489 1.848 6.044 1.00 0.00 N ATOM 793 CA LEU A 50 -1.627 2.494 5.401 1.00 0.00 C ATOM 794 C LEU A 50 -1.333 3.968 5.143 1.00 0.00 C ATOM 795 O LEU A 50 -1.591 4.482 4.054 1.00 0.00 O ATOM 796 CB LEU A 50 -2.880 2.350 6.269 1.00 0.00 C ATOM 797 CG LEU A 50 -4.099 1.764 5.554 1.00 0.00 C ATOM 798 CD1 LEU A 50 -3.764 0.408 4.953 1.00 0.00 C ATOM 799 CD2 LEU A 50 -5.274 1.649 6.514 1.00 0.00 C ATOM 0 H LEU A 50 -0.676 1.506 6.987 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.804 2.004 4.444 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.641 1.718 7.124 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.146 3.331 6.663 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.381 2.437 4.744 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.643 0.006 4.449 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -2.952 0.519 4.234 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -3.457 -0.275 5.745 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -6.133 1.230 5.989 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.003 0.997 7.344 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -5.529 2.637 6.897 1.00 0.00 H new ATOM 811 N ASP A 51 -0.786 4.641 6.150 1.00 0.00 N ATOM 812 CA ASP A 51 -0.451 6.055 6.031 1.00 0.00 C ATOM 813 C ASP A 51 0.631 6.263 4.978 1.00 0.00 C ATOM 814 O ASP A 51 0.579 7.215 4.198 1.00 0.00 O ATOM 815 CB ASP A 51 0.017 6.607 7.379 1.00 0.00 C ATOM 816 CG ASP A 51 0.109 8.120 7.383 1.00 0.00 C ATOM 817 OD1 ASP A 51 -0.643 8.763 6.621 1.00 0.00 O ATOM 818 OD2 ASP A 51 0.934 8.662 8.148 1.00 0.00 O ATOM 0 H ASP A 51 -0.565 4.230 7.057 1.00 0.00 H new ATOM 0 HA ASP A 51 -1.347 6.593 5.721 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -0.673 6.286 8.159 1.00 0.00 H new ATOM 0 HB3 ASP A 51 0.992 6.186 7.622 1.00 0.00 H new ATOM 823 N GLU A 52 1.609 5.363 4.958 1.00 0.00 N ATOM 824 CA GLU A 52 2.702 5.444 3.996 1.00 0.00 C ATOM 825 C GLU A 52 2.170 5.351 2.570 1.00 0.00 C ATOM 826 O GLU A 52 2.622 6.070 1.679 1.00 0.00 O ATOM 827 CB GLU A 52 3.718 4.329 4.248 1.00 0.00 C ATOM 828 CG GLU A 52 4.828 4.722 5.210 1.00 0.00 C ATOM 829 CD GLU A 52 5.829 5.675 4.586 1.00 0.00 C ATOM 830 OE1 GLU A 52 5.439 6.430 3.671 1.00 0.00 O ATOM 831 OE2 GLU A 52 7.002 5.666 5.013 1.00 0.00 O ATOM 0 H GLU A 52 1.667 4.570 5.597 1.00 0.00 H new ATOM 0 HA GLU A 52 3.196 6.407 4.122 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.197 3.457 4.644 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.161 4.031 3.298 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.391 5.187 6.093 1.00 0.00 H new ATOM 0 HG3 GLU A 52 5.347 3.825 5.546 1.00 0.00 H new ATOM 838 N ALA A 53 1.202 4.463 2.365 1.00 0.00 N ATOM 839 CA ALA A 53 0.603 4.278 1.050 1.00 0.00 C ATOM 840 C ALA A 53 -0.155 5.529 0.620 1.00 0.00 C ATOM 841 O ALA A 53 -0.070 5.954 -0.533 1.00 0.00 O ATOM 842 CB ALA A 53 -0.325 3.072 1.056 1.00 0.00 C ATOM 0 H ALA A 53 0.817 3.861 3.093 1.00 0.00 H new ATOM 0 HA ALA A 53 1.403 4.100 0.332 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -0.765 2.947 0.067 1.00 0.00 H new ATOM 0 HB2 ALA A 53 0.242 2.178 1.317 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -1.117 3.226 1.789 1.00 0.00 H new ATOM 848 N GLY A 54 -0.891 6.118 1.557 1.00 0.00 N ATOM 849 CA GLY A 54 -1.649 7.318 1.258 1.00 0.00 C ATOM 850 C GLY A 54 -0.758 8.466 0.829 1.00 0.00 C ATOM 851 O GLY A 54 -1.114 9.240 -0.059 1.00 0.00 O ATOM 0 H GLY A 54 -0.976 5.786 2.518 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -2.368 7.104 0.468 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -2.221 7.613 2.138 1.00 0.00 H new ATOM 855 N ASP A 55 0.407 8.574 1.461 1.00 0.00 N ATOM 856 CA ASP A 55 1.357 9.631 1.139 1.00 0.00 C ATOM 857 C ASP A 55 2.083 9.323 -0.166 1.00 0.00 C ATOM 858 O ASP A 55 2.425 10.228 -0.927 1.00 0.00 O ATOM 859 CB ASP A 55 2.369 9.800 2.273 1.00 0.00 C ATOM 860 CG ASP A 55 1.809 10.600 3.433 1.00 0.00 C ATOM 861 OD1 ASP A 55 0.632 10.384 3.790 1.00 0.00 O ATOM 862 OD2 ASP A 55 2.548 11.442 3.985 1.00 0.00 O ATOM 0 H ASP A 55 0.715 7.941 2.199 1.00 0.00 H new ATOM 0 HA ASP A 55 0.803 10.562 1.017 1.00 0.00 H new ATOM 0 HB2 ASP A 55 2.679 8.818 2.629 1.00 0.00 H new ATOM 0 HB3 ASP A 55 3.261 10.296 1.890 1.00 0.00 H new ATOM 867 N ASN A 56 2.311 8.038 -0.419 1.00 0.00 N ATOM 868 CA ASN A 56 2.992 7.607 -1.633 1.00 0.00 C ATOM 869 C ASN A 56 2.127 7.877 -2.860 1.00 0.00 C ATOM 870 O ASN A 56 2.588 8.458 -3.842 1.00 0.00 O ATOM 871 CB ASN A 56 3.334 6.119 -1.552 1.00 0.00 C ATOM 872 CG ASN A 56 4.712 5.873 -0.968 1.00 0.00 C ATOM 873 OD1 ASN A 56 5.662 6.598 -1.262 1.00 0.00 O ATOM 874 ND2 ASN A 56 4.827 4.844 -0.136 1.00 0.00 N ATOM 0 H ASN A 56 2.034 7.277 0.201 1.00 0.00 H new ATOM 0 HA ASN A 56 3.916 8.177 -1.726 1.00 0.00 H new ATOM 0 HB2 ASN A 56 2.588 5.610 -0.942 1.00 0.00 H new ATOM 0 HB3 ASN A 56 3.282 5.682 -2.549 1.00 0.00 H new ATOM 0 HD21 ASN A 56 5.730 4.629 0.287 1.00 0.00 H new ATOM 0 HD22 ASN A 56 4.013 4.269 0.080 1.00 0.00 H new ATOM 881 N LEU A 57 0.869 7.454 -2.793 1.00 0.00 N ATOM 882 CA LEU A 57 -0.063 7.654 -3.896 1.00 0.00 C ATOM 883 C LEU A 57 -0.380 9.135 -4.069 1.00 0.00 C ATOM 884 O LEU A 57 -0.537 9.621 -5.189 1.00 0.00 O ATOM 885 CB LEU A 57 -1.353 6.867 -3.653 1.00 0.00 C ATOM 886 CG LEU A 57 -2.212 7.372 -2.493 1.00 0.00 C ATOM 887 CD1 LEU A 57 -3.232 8.387 -2.986 1.00 0.00 C ATOM 888 CD2 LEU A 57 -2.907 6.210 -1.799 1.00 0.00 C ATOM 0 H LEU A 57 0.472 6.971 -1.987 1.00 0.00 H new ATOM 0 HA LEU A 57 0.406 7.289 -4.810 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.951 6.889 -4.564 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.095 5.825 -3.467 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.560 7.864 -1.771 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -3.834 8.735 -2.147 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -2.714 9.234 -3.437 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.880 7.921 -3.728 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -3.514 6.588 -0.976 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.546 5.690 -2.512 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -2.159 5.518 -1.411 1.00 0.00 H new ATOM 900 N ALA A 58 -0.468 9.849 -2.951 1.00 0.00 N ATOM 901 CA ALA A 58 -0.761 11.276 -2.977 1.00 0.00 C ATOM 902 C ALA A 58 0.369 12.048 -3.648 1.00 0.00 C ATOM 903 O ALA A 58 0.136 12.845 -4.557 1.00 0.00 O ATOM 904 CB ALA A 58 -0.991 11.793 -1.565 1.00 0.00 C ATOM 0 H ALA A 58 -0.340 9.462 -2.016 1.00 0.00 H new ATOM 0 HA ALA A 58 -1.670 11.429 -3.558 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -1.209 12.860 -1.599 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -1.833 11.265 -1.117 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -0.096 11.624 -0.966 1.00 0.00 H new ATOM 910 N ALA A 59 1.594 11.801 -3.196 1.00 0.00 N ATOM 911 CA ALA A 59 2.762 12.468 -3.756 1.00 0.00 C ATOM 912 C ALA A 59 2.943 12.102 -5.224 1.00 0.00 C ATOM 913 O ALA A 59 3.419 12.908 -6.022 1.00 0.00 O ATOM 914 CB ALA A 59 4.008 12.107 -2.961 1.00 0.00 C ATOM 0 H ALA A 59 1.803 11.144 -2.444 1.00 0.00 H new ATOM 0 HA ALA A 59 2.605 13.545 -3.691 1.00 0.00 H new ATOM 0 HB1 ALA A 59 4.873 12.612 -3.391 1.00 0.00 H new ATOM 0 HB2 ALA A 59 3.882 12.421 -1.925 1.00 0.00 H new ATOM 0 HB3 ALA A 59 4.163 11.029 -2.997 1.00 0.00 H new ATOM 920 N LEU A 60 2.555 10.879 -5.573 1.00 0.00 N ATOM 921 CA LEU A 60 2.670 10.403 -6.945 1.00 0.00 C ATOM 922 C LEU A 60 1.727 11.173 -7.864 1.00 0.00 C ATOM 923 O LEU A 60 2.118 11.609 -8.947 1.00 0.00 O ATOM 924 CB LEU A 60 2.360 8.906 -7.016 1.00 0.00 C ATOM 925 CG LEU A 60 2.548 8.270 -8.394 1.00 0.00 C ATOM 926 CD1 LEU A 60 3.955 7.709 -8.534 1.00 0.00 C ATOM 927 CD2 LEU A 60 1.511 7.181 -8.625 1.00 0.00 C ATOM 0 H LEU A 60 2.158 10.200 -4.923 1.00 0.00 H new ATOM 0 HA LEU A 60 3.694 10.570 -7.278 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.997 8.384 -6.302 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.329 8.749 -6.698 1.00 0.00 H new ATOM 0 HG LEU A 60 2.409 9.041 -9.152 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.071 7.260 -9.520 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.681 8.513 -8.413 1.00 0.00 H new ATOM 0 HD13 LEU A 60 4.122 6.951 -7.769 1.00 0.00 H new ATOM 0 HD21 LEU A 60 1.660 6.740 -9.610 1.00 0.00 H new ATOM 0 HD22 LEU A 60 1.617 6.410 -7.862 1.00 0.00 H new ATOM 0 HD23 LEU A 60 0.512 7.612 -8.568 1.00 0.00 H new ATOM 939 N ARG A 61 0.485 11.339 -7.421 1.00 0.00 N ATOM 940 CA ARG A 61 -0.514 12.060 -8.201 1.00 0.00 C ATOM 941 C ARG A 61 -0.069 13.498 -8.447 1.00 0.00 C ATOM 942 O ARG A 61 -0.221 14.026 -9.548 1.00 0.00 O ATOM 943 CB ARG A 61 -1.863 12.046 -7.480 1.00 0.00 C ATOM 944 CG ARG A 61 -3.052 11.918 -8.419 1.00 0.00 C ATOM 945 CD ARG A 61 -3.925 10.725 -8.059 1.00 0.00 C ATOM 946 NE ARG A 61 -4.959 10.482 -9.062 1.00 0.00 N ATOM 947 CZ ARG A 61 -4.717 9.968 -10.266 1.00 0.00 C ATOM 948 NH1 ARG A 61 -3.480 9.642 -10.621 1.00 0.00 N ATOM 949 NH2 ARG A 61 -5.716 9.780 -11.119 1.00 0.00 N ATOM 0 H ARG A 61 0.147 10.984 -6.527 1.00 0.00 H new ATOM 0 HA ARG A 61 -0.622 11.560 -9.163 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -1.879 11.218 -6.772 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -1.965 12.963 -6.900 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -3.647 12.830 -8.379 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -2.697 11.813 -9.444 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -3.302 9.837 -7.958 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -4.393 10.897 -7.090 1.00 0.00 H new ATOM 0 HE ARG A 61 -5.922 10.720 -8.826 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -2.708 9.785 -9.970 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -3.302 9.249 -11.545 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -6.668 10.029 -10.852 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -5.532 9.386 -12.042 1.00 0.00 H new ATOM 963 N HIS A 62 0.483 14.123 -7.413 1.00 0.00 N ATOM 964 CA HIS A 62 0.955 15.499 -7.513 1.00 0.00 C ATOM 965 C HIS A 62 2.289 15.564 -8.253 1.00 0.00 C ATOM 966 O HIS A 62 2.621 16.578 -8.866 1.00 0.00 O ATOM 967 CB HIS A 62 1.102 16.111 -6.120 1.00 0.00 C ATOM 968 CG HIS A 62 1.405 17.577 -6.138 1.00 0.00 C ATOM 969 ND1 HIS A 62 0.429 18.549 -6.065 1.00 0.00 N ATOM 970 CD2 HIS A 62 2.585 18.237 -6.220 1.00 0.00 C ATOM 971 CE1 HIS A 62 0.995 19.742 -6.102 1.00 0.00 C ATOM 972 NE2 HIS A 62 2.302 19.580 -6.195 1.00 0.00 N ATOM 0 H HIS A 62 0.615 13.698 -6.495 1.00 0.00 H new ATOM 0 HA HIS A 62 0.218 16.070 -8.078 1.00 0.00 H new ATOM 0 HB2 HIS A 62 0.181 15.946 -5.561 1.00 0.00 H new ATOM 0 HB3 HIS A 62 1.897 15.591 -5.586 1.00 0.00 H new ATOM 0 HD1 HIS A 62 -0.573 18.374 -5.994 1.00 0.00 H new ATOM 0 HD2 HIS A 62 3.566 17.790 -6.292 1.00 0.00 H new ATOM 0 HE1 HIS A 62 0.477 20.689 -6.063 1.00 0.00 H new ATOM 981 N ALA A 63 3.050 14.475 -8.189 1.00 0.00 N ATOM 982 CA ALA A 63 4.349 14.406 -8.849 1.00 0.00 C ATOM 983 C ALA A 63 4.236 14.733 -10.335 1.00 0.00 C ATOM 984 O ALA A 63 5.179 15.242 -10.942 1.00 0.00 O ATOM 985 CB ALA A 63 4.965 13.028 -8.654 1.00 0.00 C ATOM 0 H ALA A 63 2.788 13.627 -7.686 1.00 0.00 H new ATOM 0 HA ALA A 63 4.999 15.153 -8.393 1.00 0.00 H new ATOM 0 HB1 ALA A 63 5.934 12.989 -9.151 1.00 0.00 H new ATOM 0 HB2 ALA A 63 5.095 12.835 -7.589 1.00 0.00 H new ATOM 0 HB3 ALA A 63 4.307 12.272 -9.082 1.00 0.00 H new ATOM 991 N VAL A 64 3.077 14.438 -10.917 1.00 0.00 N ATOM 992 CA VAL A 64 2.844 14.702 -12.333 1.00 0.00 C ATOM 993 C VAL A 64 3.081 16.172 -12.668 1.00 0.00 C ATOM 994 O VAL A 64 3.453 16.511 -13.791 1.00 0.00 O ATOM 995 CB VAL A 64 1.412 14.315 -12.749 1.00 0.00 C ATOM 996 CG1 VAL A 64 1.183 12.825 -12.554 1.00 0.00 C ATOM 997 CG2 VAL A 64 0.389 15.126 -11.968 1.00 0.00 C ATOM 0 H VAL A 64 2.286 14.017 -10.430 1.00 0.00 H new ATOM 0 HA VAL A 64 3.554 14.089 -12.888 1.00 0.00 H new ATOM 0 HB VAL A 64 1.288 14.543 -13.808 1.00 0.00 H new ATOM 0 HG11 VAL A 64 0.166 12.571 -12.853 1.00 0.00 H new ATOM 0 HG12 VAL A 64 1.891 12.265 -13.164 1.00 0.00 H new ATOM 0 HG13 VAL A 64 1.327 12.569 -11.504 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -0.616 14.838 -12.276 1.00 0.00 H new ATOM 0 HG22 VAL A 64 0.510 14.935 -10.902 1.00 0.00 H new ATOM 0 HG23 VAL A 64 0.539 16.187 -12.165 1.00 0.00 H new ATOM 1007 N GLU A 65 2.861 17.040 -11.685 1.00 0.00 N ATOM 1008 CA GLU A 65 3.050 18.473 -11.875 1.00 0.00 C ATOM 1009 C GLU A 65 4.534 18.825 -11.932 1.00 0.00 C ATOM 1010 O GLU A 65 4.930 19.780 -12.600 1.00 0.00 O ATOM 1011 CB GLU A 65 2.369 19.251 -10.746 1.00 0.00 C ATOM 1012 CG GLU A 65 1.516 20.410 -11.235 1.00 0.00 C ATOM 1013 CD GLU A 65 0.289 20.635 -10.373 1.00 0.00 C ATOM 1014 OE1 GLU A 65 0.392 20.468 -9.140 1.00 0.00 O ATOM 1015 OE2 GLU A 65 -0.774 20.978 -10.931 1.00 0.00 O ATOM 0 H GLU A 65 2.552 16.776 -10.750 1.00 0.00 H new ATOM 0 HA GLU A 65 2.595 18.752 -12.825 1.00 0.00 H new ATOM 0 HB2 GLU A 65 1.744 18.568 -10.171 1.00 0.00 H new ATOM 0 HB3 GLU A 65 3.132 19.633 -10.068 1.00 0.00 H new ATOM 0 HG2 GLU A 65 2.118 21.319 -11.248 1.00 0.00 H new ATOM 0 HG3 GLU A 65 1.204 20.219 -12.262 1.00 0.00 H new ATOM 1022 N GLN A 66 5.350 18.049 -11.225 1.00 0.00 N ATOM 1023 CA GLN A 66 6.790 18.282 -11.196 1.00 0.00 C ATOM 1024 C GLN A 66 7.516 17.401 -12.211 1.00 0.00 C ATOM 1025 O GLN A 66 8.735 17.240 -12.144 1.00 0.00 O ATOM 1026 CB GLN A 66 7.339 18.020 -9.792 1.00 0.00 C ATOM 1027 CG GLN A 66 7.373 19.259 -8.911 1.00 0.00 C ATOM 1028 CD GLN A 66 5.987 19.755 -8.549 1.00 0.00 C ATOM 1029 OE1 GLN A 66 5.272 20.303 -9.388 1.00 0.00 O ATOM 1030 NE2 GLN A 66 5.600 19.565 -7.293 1.00 0.00 N ATOM 0 H GLN A 66 5.039 17.255 -10.665 1.00 0.00 H new ATOM 0 HA GLN A 66 6.966 19.324 -11.464 1.00 0.00 H new ATOM 0 HB2 GLN A 66 6.728 17.257 -9.309 1.00 0.00 H new ATOM 0 HB3 GLN A 66 8.348 17.615 -9.875 1.00 0.00 H new ATOM 0 HG2 GLN A 66 7.925 19.036 -7.998 1.00 0.00 H new ATOM 0 HG3 GLN A 66 7.916 20.052 -9.426 1.00 0.00 H new ATOM 0 HE21 GLN A 66 6.225 19.106 -6.631 1.00 0.00 H new ATOM 0 HE22 GLN A 66 4.677 19.878 -6.991 1.00 0.00 H new ATOM 1039 N GLN A 67 6.765 16.833 -13.152 1.00 0.00 N ATOM 1040 CA GLN A 67 7.344 15.972 -14.179 1.00 0.00 C ATOM 1041 C GLN A 67 8.159 14.841 -13.554 1.00 0.00 C ATOM 1042 O GLN A 67 9.300 14.594 -13.945 1.00 0.00 O ATOM 1043 CB GLN A 67 8.225 16.794 -15.122 1.00 0.00 C ATOM 1044 CG GLN A 67 7.478 17.908 -15.836 1.00 0.00 C ATOM 1045 CD GLN A 67 6.246 17.410 -16.566 1.00 0.00 C ATOM 1046 OE1 GLN A 67 6.276 16.365 -17.217 1.00 0.00 O ATOM 1047 NE2 GLN A 67 5.153 18.157 -16.462 1.00 0.00 N ATOM 0 H GLN A 67 5.755 16.954 -13.224 1.00 0.00 H new ATOM 0 HA GLN A 67 6.527 15.529 -14.748 1.00 0.00 H new ATOM 0 HB2 GLN A 67 9.048 17.226 -14.552 1.00 0.00 H new ATOM 0 HB3 GLN A 67 8.666 16.130 -15.865 1.00 0.00 H new ATOM 0 HG2 GLN A 67 7.184 18.666 -15.110 1.00 0.00 H new ATOM 0 HG3 GLN A 67 8.147 18.391 -16.548 1.00 0.00 H new ATOM 0 HE21 GLN A 67 5.173 19.016 -15.912 1.00 0.00 H new ATOM 0 HE22 GLN A 67 4.294 17.872 -16.932 1.00 0.00 H new ATOM 1056 N GLN A 68 7.564 14.157 -12.583 1.00 0.00 N ATOM 1057 CA GLN A 68 8.233 13.052 -11.905 1.00 0.00 C ATOM 1058 C GLN A 68 7.794 11.712 -12.489 1.00 0.00 C ATOM 1059 O GLN A 68 7.635 10.729 -11.765 1.00 0.00 O ATOM 1060 CB GLN A 68 7.937 13.091 -10.405 1.00 0.00 C ATOM 1061 CG GLN A 68 8.464 14.338 -9.714 1.00 0.00 C ATOM 1062 CD GLN A 68 9.059 14.042 -8.351 1.00 0.00 C ATOM 1063 OE1 GLN A 68 8.481 14.388 -7.320 1.00 0.00 O ATOM 1064 NE2 GLN A 68 10.221 13.400 -8.339 1.00 0.00 N ATOM 0 H GLN A 68 6.620 14.348 -12.248 1.00 0.00 H new ATOM 0 HA GLN A 68 9.307 13.161 -12.057 1.00 0.00 H new ATOM 0 HB2 GLN A 68 6.859 13.030 -10.254 1.00 0.00 H new ATOM 0 HB3 GLN A 68 8.375 12.211 -9.933 1.00 0.00 H new ATOM 0 HG2 GLN A 68 9.222 14.805 -10.343 1.00 0.00 H new ATOM 0 HG3 GLN A 68 7.653 15.058 -9.604 1.00 0.00 H new ATOM 0 HE21 GLN A 68 10.665 13.132 -9.217 1.00 0.00 H new ATOM 0 HE22 GLN A 68 10.670 13.175 -7.451 1.00 0.00 H new ATOM 1073 N LEU A 69 7.598 11.684 -13.803 1.00 0.00 N ATOM 1074 CA LEU A 69 7.174 10.469 -14.493 1.00 0.00 C ATOM 1075 C LEU A 69 8.095 9.291 -14.170 1.00 0.00 C ATOM 1076 O LEU A 69 7.644 8.271 -13.648 1.00 0.00 O ATOM 1077 CB LEU A 69 7.136 10.704 -16.005 1.00 0.00 C ATOM 1078 CG LEU A 69 5.878 11.406 -16.520 1.00 0.00 C ATOM 1079 CD1 LEU A 69 4.629 10.672 -16.056 1.00 0.00 C ATOM 1080 CD2 LEU A 69 5.851 12.854 -16.057 1.00 0.00 C ATOM 0 H LEU A 69 7.726 12.491 -14.414 1.00 0.00 H new ATOM 0 HA LEU A 69 6.173 10.220 -14.142 1.00 0.00 H new ATOM 0 HB2 LEU A 69 8.006 11.297 -16.287 1.00 0.00 H new ATOM 0 HB3 LEU A 69 7.229 9.742 -16.509 1.00 0.00 H new ATOM 0 HG LEU A 69 5.897 11.393 -17.610 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.744 11.186 -16.432 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.645 9.651 -16.437 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.602 10.653 -14.967 1.00 0.00 H new ATOM 0 HD21 LEU A 69 4.950 13.339 -16.432 1.00 0.00 H new ATOM 0 HD22 LEU A 69 5.855 12.888 -14.968 1.00 0.00 H new ATOM 0 HD23 LEU A 69 6.729 13.375 -16.439 1.00 0.00 H new ATOM 1092 N PRO A 70 9.400 9.409 -14.478 1.00 0.00 N ATOM 1093 CA PRO A 70 10.371 8.341 -14.216 1.00 0.00 C ATOM 1094 C PRO A 70 10.358 7.889 -12.759 1.00 0.00 C ATOM 1095 O PRO A 70 10.739 6.761 -12.447 1.00 0.00 O ATOM 1096 CB PRO A 70 11.726 8.973 -14.571 1.00 0.00 C ATOM 1097 CG PRO A 70 11.468 10.439 -14.679 1.00 0.00 C ATOM 1098 CD PRO A 70 10.036 10.578 -15.103 1.00 0.00 C ATOM 0 HA PRO A 70 10.146 7.445 -14.795 1.00 0.00 H new ATOM 0 HB2 PRO A 70 12.471 8.761 -13.804 1.00 0.00 H new ATOM 0 HB3 PRO A 70 12.112 8.573 -15.508 1.00 0.00 H new ATOM 0 HG2 PRO A 70 11.642 10.937 -13.725 1.00 0.00 H new ATOM 0 HG3 PRO A 70 12.136 10.900 -15.406 1.00 0.00 H new ATOM 0 HD2 PRO A 70 9.599 11.513 -14.752 1.00 0.00 H new ATOM 0 HD3 PRO A 70 9.932 10.564 -16.188 1.00 0.00 H new ATOM 1106 N GLN A 71 9.915 8.773 -11.871 1.00 0.00 N ATOM 1107 CA GLN A 71 9.851 8.460 -10.448 1.00 0.00 C ATOM 1108 C GLN A 71 8.649 7.572 -10.138 1.00 0.00 C ATOM 1109 O GLN A 71 8.655 6.822 -9.161 1.00 0.00 O ATOM 1110 CB GLN A 71 9.777 9.747 -9.624 1.00 0.00 C ATOM 1111 CG GLN A 71 10.622 9.710 -8.361 1.00 0.00 C ATOM 1112 CD GLN A 71 11.702 10.775 -8.348 1.00 0.00 C ATOM 1113 OE1 GLN A 71 11.918 11.444 -7.338 1.00 0.00 O ATOM 1114 NE2 GLN A 71 12.385 10.938 -9.475 1.00 0.00 N ATOM 0 H GLN A 71 9.595 9.711 -12.111 1.00 0.00 H new ATOM 0 HA GLN A 71 10.758 7.917 -10.180 1.00 0.00 H new ATOM 0 HB2 GLN A 71 10.100 10.584 -10.243 1.00 0.00 H new ATOM 0 HB3 GLN A 71 8.739 9.935 -9.351 1.00 0.00 H new ATOM 0 HG2 GLN A 71 9.976 9.842 -7.493 1.00 0.00 H new ATOM 0 HG3 GLN A 71 11.085 8.728 -8.267 1.00 0.00 H new ATOM 0 HE21 GLN A 71 12.172 10.361 -10.288 1.00 0.00 H new ATOM 0 HE22 GLN A 71 13.123 11.640 -9.527 1.00 0.00 H new ATOM 1123 N VAL A 72 7.619 7.662 -10.974 1.00 0.00 N ATOM 1124 CA VAL A 72 6.410 6.869 -10.788 1.00 0.00 C ATOM 1125 C VAL A 72 6.716 5.375 -10.846 1.00 0.00 C ATOM 1126 O VAL A 72 6.031 4.567 -10.218 1.00 0.00 O ATOM 1127 CB VAL A 72 5.348 7.206 -11.853 1.00 0.00 C ATOM 1128 CG1 VAL A 72 4.038 6.493 -11.551 1.00 0.00 C ATOM 1129 CG2 VAL A 72 5.136 8.711 -11.940 1.00 0.00 C ATOM 0 H VAL A 72 7.598 8.277 -11.787 1.00 0.00 H new ATOM 0 HA VAL A 72 6.018 7.118 -9.802 1.00 0.00 H new ATOM 0 HB VAL A 72 5.709 6.856 -12.820 1.00 0.00 H new ATOM 0 HG11 VAL A 72 3.302 6.745 -12.315 1.00 0.00 H new ATOM 0 HG12 VAL A 72 4.203 5.416 -11.547 1.00 0.00 H new ATOM 0 HG13 VAL A 72 3.669 6.807 -10.575 1.00 0.00 H new ATOM 0 HG21 VAL A 72 4.383 8.929 -12.697 1.00 0.00 H new ATOM 0 HG22 VAL A 72 4.799 9.087 -10.974 1.00 0.00 H new ATOM 0 HG23 VAL A 72 6.074 9.195 -12.211 1.00 0.00 H new ATOM 1139 N ALA A 73 7.746 5.013 -11.604 1.00 0.00 N ATOM 1140 CA ALA A 73 8.138 3.616 -11.744 1.00 0.00 C ATOM 1141 C ALA A 73 8.467 2.995 -10.390 1.00 0.00 C ATOM 1142 O ALA A 73 7.927 1.949 -10.028 1.00 0.00 O ATOM 1143 CB ALA A 73 9.328 3.495 -12.685 1.00 0.00 C ATOM 0 H ALA A 73 8.324 5.668 -12.131 1.00 0.00 H new ATOM 0 HA ALA A 73 7.295 3.070 -12.167 1.00 0.00 H new ATOM 0 HB1 ALA A 73 9.611 2.447 -12.781 1.00 0.00 H new ATOM 0 HB2 ALA A 73 9.059 3.889 -13.665 1.00 0.00 H new ATOM 0 HB3 ALA A 73 10.168 4.062 -12.284 1.00 0.00 H new ATOM 1149 N TRP A 74 9.357 3.644 -9.647 1.00 0.00 N ATOM 1150 CA TRP A 74 9.758 3.153 -8.333 1.00 0.00 C ATOM 1151 C TRP A 74 8.598 3.226 -7.345 1.00 0.00 C ATOM 1152 O TRP A 74 8.298 2.254 -6.651 1.00 0.00 O ATOM 1153 CB TRP A 74 10.947 3.959 -7.805 1.00 0.00 C ATOM 1154 CG TRP A 74 11.992 3.112 -7.146 1.00 0.00 C ATOM 1155 CD1 TRP A 74 12.505 1.934 -7.610 1.00 0.00 C ATOM 1156 CD2 TRP A 74 12.652 3.375 -5.902 1.00 0.00 C ATOM 1157 NE1 TRP A 74 13.443 1.450 -6.731 1.00 0.00 N ATOM 1158 CE2 TRP A 74 13.552 2.316 -5.675 1.00 0.00 C ATOM 1159 CE3 TRP A 74 12.570 4.404 -4.960 1.00 0.00 C ATOM 1160 CZ2 TRP A 74 14.362 2.258 -4.544 1.00 0.00 C ATOM 1161 CZ3 TRP A 74 13.376 4.345 -3.838 1.00 0.00 C ATOM 1162 CH2 TRP A 74 14.262 3.279 -3.638 1.00 0.00 C ATOM 0 H TRP A 74 9.814 4.510 -9.932 1.00 0.00 H new ATOM 0 HA TRP A 74 10.054 2.109 -8.438 1.00 0.00 H new ATOM 0 HB2 TRP A 74 11.401 4.507 -8.631 1.00 0.00 H new ATOM 0 HB3 TRP A 74 10.587 4.700 -7.091 1.00 0.00 H new ATOM 0 HD1 TRP A 74 12.215 1.454 -8.533 1.00 0.00 H new ATOM 0 HE1 TRP A 74 13.973 0.586 -6.846 1.00 0.00 H new ATOM 0 HE3 TRP A 74 11.890 5.230 -5.106 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 15.045 1.436 -4.387 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 13.321 5.135 -3.103 1.00 0.00 H new ATOM 0 HH2 TRP A 74 14.878 3.262 -2.751 1.00 0.00 H new ATOM 1173 N LEU A 75 7.949 4.385 -7.286 1.00 0.00 N ATOM 1174 CA LEU A 75 6.822 4.585 -6.382 1.00 0.00 C ATOM 1175 C LEU A 75 5.702 3.593 -6.678 1.00 0.00 C ATOM 1176 O LEU A 75 4.955 3.200 -5.782 1.00 0.00 O ATOM 1177 CB LEU A 75 6.296 6.016 -6.500 1.00 0.00 C ATOM 1178 CG LEU A 75 7.297 7.108 -6.119 1.00 0.00 C ATOM 1179 CD1 LEU A 75 7.065 8.359 -6.951 1.00 0.00 C ATOM 1180 CD2 LEU A 75 7.197 7.427 -4.634 1.00 0.00 C ATOM 0 H LEU A 75 8.184 5.199 -7.853 1.00 0.00 H new ATOM 0 HA LEU A 75 7.171 4.416 -5.364 1.00 0.00 H new ATOM 0 HB2 LEU A 75 5.972 6.184 -7.527 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.414 6.116 -5.867 1.00 0.00 H new ATOM 0 HG LEU A 75 8.302 6.741 -6.325 1.00 0.00 H new ATOM 0 HD11 LEU A 75 7.786 9.125 -6.666 1.00 0.00 H new ATOM 0 HD12 LEU A 75 7.187 8.121 -8.008 1.00 0.00 H new ATOM 0 HD13 LEU A 75 6.055 8.730 -6.777 1.00 0.00 H new ATOM 0 HD21 LEU A 75 7.916 8.206 -4.380 1.00 0.00 H new ATOM 0 HD22 LEU A 75 6.190 7.774 -4.403 1.00 0.00 H new ATOM 0 HD23 LEU A 75 7.414 6.530 -4.054 1.00 0.00 H new ATOM 1192 N ALA A 76 5.590 3.193 -7.941 1.00 0.00 N ATOM 1193 CA ALA A 76 4.559 2.248 -8.354 1.00 0.00 C ATOM 1194 C ALA A 76 4.831 0.857 -7.792 1.00 0.00 C ATOM 1195 O ALA A 76 3.974 0.263 -7.137 1.00 0.00 O ATOM 1196 CB ALA A 76 4.469 2.198 -9.872 1.00 0.00 C ATOM 0 H ALA A 76 6.200 3.508 -8.695 1.00 0.00 H new ATOM 0 HA ALA A 76 3.605 2.591 -7.954 1.00 0.00 H new ATOM 0 HB1 ALA A 76 3.696 1.489 -10.167 1.00 0.00 H new ATOM 0 HB2 ALA A 76 4.219 3.188 -10.254 1.00 0.00 H new ATOM 0 HB3 ALA A 76 5.428 1.882 -10.283 1.00 0.00 H new ATOM 1202 N GLU A 77 6.028 0.341 -8.053 1.00 0.00 N ATOM 1203 CA GLU A 77 6.411 -0.981 -7.573 1.00 0.00 C ATOM 1204 C GLU A 77 6.409 -1.029 -6.048 1.00 0.00 C ATOM 1205 O GLU A 77 6.117 -2.065 -5.450 1.00 0.00 O ATOM 1206 CB GLU A 77 7.794 -1.359 -8.105 1.00 0.00 C ATOM 1207 CG GLU A 77 8.041 -2.858 -8.150 1.00 0.00 C ATOM 1208 CD GLU A 77 9.460 -3.227 -7.764 1.00 0.00 C ATOM 1209 OE1 GLU A 77 9.719 -3.402 -6.554 1.00 0.00 O ATOM 1210 OE2 GLU A 77 10.311 -3.342 -8.670 1.00 0.00 O ATOM 0 H GLU A 77 6.749 0.819 -8.594 1.00 0.00 H new ATOM 0 HA GLU A 77 5.679 -1.699 -7.942 1.00 0.00 H new ATOM 0 HB2 GLU A 77 7.912 -0.950 -9.108 1.00 0.00 H new ATOM 0 HB3 GLU A 77 8.555 -0.893 -7.479 1.00 0.00 H new ATOM 0 HG2 GLU A 77 7.344 -3.358 -7.477 1.00 0.00 H new ATOM 0 HG3 GLU A 77 7.834 -3.227 -9.155 1.00 0.00 H new ATOM 1217 N HIS A 78 6.738 0.098 -5.426 1.00 0.00 N ATOM 1218 CA HIS A 78 6.775 0.185 -3.970 1.00 0.00 C ATOM 1219 C HIS A 78 5.371 0.097 -3.382 1.00 0.00 C ATOM 1220 O HIS A 78 5.130 -0.648 -2.432 1.00 0.00 O ATOM 1221 CB HIS A 78 7.442 1.491 -3.534 1.00 0.00 C ATOM 1222 CG HIS A 78 7.956 1.461 -2.128 1.00 0.00 C ATOM 1223 ND1 HIS A 78 9.026 2.218 -1.701 1.00 0.00 N ATOM 1224 CD2 HIS A 78 7.539 0.760 -1.047 1.00 0.00 C ATOM 1225 CE1 HIS A 78 9.246 1.984 -0.420 1.00 0.00 C ATOM 1226 NE2 HIS A 78 8.357 1.103 0.001 1.00 0.00 N ATOM 0 H HIS A 78 6.983 0.964 -5.907 1.00 0.00 H new ATOM 0 HA HIS A 78 7.358 -0.657 -3.596 1.00 0.00 H new ATOM 0 HB2 HIS A 78 8.269 1.710 -4.210 1.00 0.00 H new ATOM 0 HB3 HIS A 78 6.725 2.306 -3.633 1.00 0.00 H new ATOM 0 HD1 HIS A 78 9.564 2.859 -2.284 1.00 0.00 H new ATOM 0 HD2 HIS A 78 6.716 0.061 -1.015 1.00 0.00 H new ATOM 0 HE1 HIS A 78 10.021 2.436 0.181 1.00 0.00 H new ATOM 1235 N LEU A 79 4.447 0.863 -3.952 1.00 0.00 N ATOM 1236 CA LEU A 79 3.066 0.874 -3.483 1.00 0.00 C ATOM 1237 C LEU A 79 2.396 -0.476 -3.723 1.00 0.00 C ATOM 1238 O LEU A 79 1.734 -1.018 -2.838 1.00 0.00 O ATOM 1239 CB LEU A 79 2.275 1.980 -4.185 1.00 0.00 C ATOM 1240 CG LEU A 79 2.312 3.342 -3.490 1.00 0.00 C ATOM 1241 CD1 LEU A 79 2.191 4.464 -4.510 1.00 0.00 C ATOM 1242 CD2 LEU A 79 1.203 3.440 -2.454 1.00 0.00 C ATOM 0 H LEU A 79 4.629 1.485 -4.740 1.00 0.00 H new ATOM 0 HA LEU A 79 3.076 1.068 -2.410 1.00 0.00 H new ATOM 0 HB2 LEU A 79 2.661 2.095 -5.198 1.00 0.00 H new ATOM 0 HB3 LEU A 79 1.236 1.662 -4.274 1.00 0.00 H new ATOM 0 HG LEU A 79 3.270 3.444 -2.980 1.00 0.00 H new ATOM 0 HD11 LEU A 79 2.219 5.426 -3.998 1.00 0.00 H new ATOM 0 HD12 LEU A 79 3.019 4.405 -5.216 1.00 0.00 H new ATOM 0 HD13 LEU A 79 1.248 4.367 -5.048 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.244 4.415 -1.969 1.00 0.00 H new ATOM 0 HD22 LEU A 79 0.237 3.318 -2.943 1.00 0.00 H new ATOM 0 HD23 LEU A 79 1.333 2.657 -1.707 1.00 0.00 H new ATOM 1254 N ALA A 80 2.571 -1.012 -4.927 1.00 0.00 N ATOM 1255 CA ALA A 80 1.981 -2.297 -5.283 1.00 0.00 C ATOM 1256 C ALA A 80 2.550 -3.422 -4.425 1.00 0.00 C ATOM 1257 O ALA A 80 1.867 -4.407 -4.143 1.00 0.00 O ATOM 1258 CB ALA A 80 2.210 -2.590 -6.759 1.00 0.00 C ATOM 0 H ALA A 80 3.116 -0.577 -5.671 1.00 0.00 H new ATOM 0 HA ALA A 80 0.909 -2.240 -5.095 1.00 0.00 H new ATOM 0 HB1 ALA A 80 1.765 -3.552 -7.012 1.00 0.00 H new ATOM 0 HB2 ALA A 80 1.749 -1.807 -7.361 1.00 0.00 H new ATOM 0 HB3 ALA A 80 3.280 -2.621 -6.962 1.00 0.00 H new ATOM 1264 N ALA A 81 3.805 -3.271 -4.014 1.00 0.00 N ATOM 1265 CA ALA A 81 4.465 -4.276 -3.189 1.00 0.00 C ATOM 1266 C ALA A 81 3.869 -4.318 -1.786 1.00 0.00 C ATOM 1267 O ALA A 81 3.410 -5.364 -1.327 1.00 0.00 O ATOM 1268 CB ALA A 81 5.960 -4.001 -3.121 1.00 0.00 C ATOM 0 H ALA A 81 4.385 -2.463 -4.239 1.00 0.00 H new ATOM 0 HA ALA A 81 4.304 -5.250 -3.650 1.00 0.00 H new ATOM 0 HB1 ALA A 81 6.441 -4.758 -2.502 1.00 0.00 H new ATOM 0 HB2 ALA A 81 6.382 -4.032 -4.126 1.00 0.00 H new ATOM 0 HB3 ALA A 81 6.129 -3.016 -2.686 1.00 0.00 H new ATOM 1274 N GLN A 82 3.881 -3.175 -1.108 1.00 0.00 N ATOM 1275 CA GLN A 82 3.344 -3.084 0.246 1.00 0.00 C ATOM 1276 C GLN A 82 1.859 -3.432 0.272 1.00 0.00 C ATOM 1277 O GLN A 82 1.404 -4.187 1.131 1.00 0.00 O ATOM 1278 CB GLN A 82 3.560 -1.678 0.810 1.00 0.00 C ATOM 1279 CG GLN A 82 2.938 -0.580 -0.036 1.00 0.00 C ATOM 1280 CD GLN A 82 3.523 0.787 0.261 1.00 0.00 C ATOM 1281 OE1 GLN A 82 4.738 0.981 0.202 1.00 0.00 O ATOM 1282 NE2 GLN A 82 2.660 1.743 0.584 1.00 0.00 N ATOM 0 H GLN A 82 4.256 -2.300 -1.473 1.00 0.00 H new ATOM 0 HA GLN A 82 3.876 -3.804 0.867 1.00 0.00 H new ATOM 0 HB2 GLN A 82 3.142 -1.631 1.816 1.00 0.00 H new ATOM 0 HB3 GLN A 82 4.630 -1.493 0.901 1.00 0.00 H new ATOM 0 HG2 GLN A 82 3.084 -0.812 -1.091 1.00 0.00 H new ATOM 0 HG3 GLN A 82 1.862 -0.557 0.139 1.00 0.00 H new ATOM 0 HE21 GLN A 82 1.662 1.538 0.621 1.00 0.00 H new ATOM 0 HE22 GLN A 82 2.995 2.683 0.795 1.00 0.00 H new ATOM 1291 N LEU A 83 1.107 -2.877 -0.674 1.00 0.00 N ATOM 1292 CA LEU A 83 -0.328 -3.129 -0.756 1.00 0.00 C ATOM 1293 C LEU A 83 -0.616 -4.622 -0.885 1.00 0.00 C ATOM 1294 O LEU A 83 -1.511 -5.151 -0.226 1.00 0.00 O ATOM 1295 CB LEU A 83 -0.932 -2.378 -1.944 1.00 0.00 C ATOM 1296 CG LEU A 83 -2.391 -1.953 -1.768 1.00 0.00 C ATOM 1297 CD1 LEU A 83 -2.713 -0.766 -2.663 1.00 0.00 C ATOM 1298 CD2 LEU A 83 -3.325 -3.116 -2.066 1.00 0.00 C ATOM 0 H LEU A 83 1.467 -2.250 -1.394 1.00 0.00 H new ATOM 0 HA LEU A 83 -0.786 -2.769 0.165 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -0.331 -1.489 -2.136 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -0.858 -3.010 -2.829 1.00 0.00 H new ATOM 0 HG LEU A 83 -2.539 -1.651 -0.731 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -3.755 -0.478 -2.524 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -2.067 0.072 -2.402 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -2.548 -1.041 -3.705 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -4.359 -2.795 -1.936 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -3.175 -3.449 -3.093 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -3.111 -3.938 -1.383 1.00 0.00 H new ATOM 1310 N GLU A 84 0.148 -5.296 -1.739 1.00 0.00 N ATOM 1311 CA GLU A 84 -0.027 -6.728 -1.955 1.00 0.00 C ATOM 1312 C GLU A 84 0.172 -7.505 -0.657 1.00 0.00 C ATOM 1313 O GLU A 84 -0.622 -8.383 -0.320 1.00 0.00 O ATOM 1314 CB GLU A 84 0.953 -7.227 -3.017 1.00 0.00 C ATOM 1315 CG GLU A 84 0.514 -8.517 -3.692 1.00 0.00 C ATOM 1316 CD GLU A 84 1.502 -9.649 -3.488 1.00 0.00 C ATOM 1317 OE1 GLU A 84 2.723 -9.387 -3.531 1.00 0.00 O ATOM 1318 OE2 GLU A 84 1.055 -10.798 -3.285 1.00 0.00 O ATOM 0 H GLU A 84 0.894 -4.874 -2.292 1.00 0.00 H new ATOM 0 HA GLU A 84 -1.046 -6.895 -2.303 1.00 0.00 H new ATOM 0 HB2 GLU A 84 1.078 -6.454 -3.775 1.00 0.00 H new ATOM 0 HB3 GLU A 84 1.928 -7.382 -2.555 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -0.459 -8.814 -3.301 1.00 0.00 H new ATOM 0 HG3 GLU A 84 0.387 -8.339 -4.760 1.00 0.00 H new ATOM 1325 N ALA A 85 1.238 -7.178 0.066 1.00 0.00 N ATOM 1326 CA ALA A 85 1.542 -7.847 1.325 1.00 0.00 C ATOM 1327 C ALA A 85 0.429 -7.634 2.346 1.00 0.00 C ATOM 1328 O ALA A 85 0.003 -8.573 3.020 1.00 0.00 O ATOM 1329 CB ALA A 85 2.868 -7.349 1.879 1.00 0.00 C ATOM 0 H ALA A 85 1.906 -6.454 -0.199 1.00 0.00 H new ATOM 0 HA ALA A 85 1.619 -8.916 1.129 1.00 0.00 H new ATOM 0 HB1 ALA A 85 3.083 -7.857 2.819 1.00 0.00 H new ATOM 0 HB2 ALA A 85 3.663 -7.559 1.163 1.00 0.00 H new ATOM 0 HB3 ALA A 85 2.810 -6.274 2.052 1.00 0.00 H new ATOM 1335 N ILE A 86 -0.038 -6.395 2.457 1.00 0.00 N ATOM 1336 CA ILE A 86 -1.100 -6.059 3.397 1.00 0.00 C ATOM 1337 C ILE A 86 -2.394 -6.788 3.047 1.00 0.00 C ATOM 1338 O ILE A 86 -3.052 -7.358 3.918 1.00 0.00 O ATOM 1339 CB ILE A 86 -1.367 -4.541 3.426 1.00 0.00 C ATOM 1340 CG1 ILE A 86 -0.067 -3.777 3.685 1.00 0.00 C ATOM 1341 CG2 ILE A 86 -2.404 -4.202 4.487 1.00 0.00 C ATOM 1342 CD1 ILE A 86 -0.049 -2.391 3.077 1.00 0.00 C ATOM 0 H ILE A 86 0.303 -5.607 1.907 1.00 0.00 H new ATOM 0 HA ILE A 86 -0.763 -6.378 4.383 1.00 0.00 H new ATOM 0 HB ILE A 86 -1.758 -4.240 2.454 1.00 0.00 H new ATOM 0 HG12 ILE A 86 0.089 -3.695 4.761 1.00 0.00 H new ATOM 0 HG13 ILE A 86 0.768 -4.351 3.285 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -2.580 -3.126 4.493 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -3.336 -4.721 4.264 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -2.040 -4.516 5.465 1.00 0.00 H new ATOM 0 HD11 ILE A 86 0.902 -1.908 3.300 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -0.173 -2.466 1.997 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -0.863 -1.799 3.496 1.00 0.00 H new ATOM 1354 N ALA A 87 -2.755 -6.764 1.769 1.00 0.00 N ATOM 1355 CA ALA A 87 -3.972 -7.421 1.306 1.00 0.00 C ATOM 1356 C ALA A 87 -3.944 -8.914 1.614 1.00 0.00 C ATOM 1357 O ALA A 87 -4.939 -9.485 2.061 1.00 0.00 O ATOM 1358 CB ALA A 87 -4.159 -7.192 -0.186 1.00 0.00 C ATOM 0 H ALA A 87 -2.223 -6.297 1.035 1.00 0.00 H new ATOM 0 HA ALA A 87 -4.816 -6.984 1.840 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -5.071 -7.688 -0.519 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -4.234 -6.123 -0.383 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -3.306 -7.601 -0.727 1.00 0.00 H new ATOM 1364 N ARG A 88 -2.798 -9.542 1.372 1.00 0.00 N ATOM 1365 CA ARG A 88 -2.641 -10.971 1.623 1.00 0.00 C ATOM 1366 C ARG A 88 -2.784 -11.283 3.110 1.00 0.00 C ATOM 1367 O ARG A 88 -3.522 -12.189 3.496 1.00 0.00 O ATOM 1368 CB ARG A 88 -1.280 -11.452 1.114 1.00 0.00 C ATOM 1369 CG ARG A 88 -1.356 -12.725 0.286 1.00 0.00 C ATOM 1370 CD ARG A 88 -0.438 -12.664 -0.926 1.00 0.00 C ATOM 1371 NE ARG A 88 0.589 -13.702 -0.889 1.00 0.00 N ATOM 1372 CZ ARG A 88 1.672 -13.646 -0.117 1.00 0.00 C ATOM 1373 NH1 ARG A 88 1.873 -12.606 0.682 1.00 0.00 N ATOM 1374 NH2 ARG A 88 2.557 -14.634 -0.144 1.00 0.00 N ATOM 0 H ARG A 88 -1.965 -9.085 1.003 1.00 0.00 H new ATOM 0 HA ARG A 88 -3.429 -11.498 1.085 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -0.827 -10.664 0.513 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -0.622 -11.621 1.966 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -1.084 -13.579 0.906 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -2.383 -12.884 -0.043 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -1.030 -12.772 -1.835 1.00 0.00 H new ATOM 0 HD3 ARG A 88 0.038 -11.685 -0.971 1.00 0.00 H new ATOM 0 HE ARG A 88 0.469 -14.517 -1.490 1.00 0.00 H new ATOM 0 HH11 ARG A 88 1.196 -11.844 0.707 1.00 0.00 H new ATOM 0 HH12 ARG A 88 2.705 -12.569 1.271 1.00 0.00 H new ATOM 0 HH21 ARG A 88 2.407 -15.436 -0.756 1.00 0.00 H new ATOM 0 HH22 ARG A 88 3.387 -14.592 0.447 1.00 0.00 H new ATOM 1388 N GLU A 89 -2.071 -10.527 3.939 1.00 0.00 N ATOM 1389 CA GLU A 89 -2.117 -10.724 5.383 1.00 0.00 C ATOM 1390 C GLU A 89 -3.532 -10.527 5.917 1.00 0.00 C ATOM 1391 O GLU A 89 -4.001 -11.294 6.758 1.00 0.00 O ATOM 1392 CB GLU A 89 -1.158 -9.757 6.081 1.00 0.00 C ATOM 1393 CG GLU A 89 0.305 -10.150 5.950 1.00 0.00 C ATOM 1394 CD GLU A 89 1.008 -10.237 7.291 1.00 0.00 C ATOM 1395 OE1 GLU A 89 0.751 -9.372 8.154 1.00 0.00 O ATOM 1396 OE2 GLU A 89 1.816 -11.171 7.478 1.00 0.00 O ATOM 0 H GLU A 89 -1.455 -9.773 3.635 1.00 0.00 H new ATOM 0 HA GLU A 89 -1.809 -11.748 5.593 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -1.296 -8.759 5.666 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -1.417 -9.701 7.138 1.00 0.00 H new ATOM 0 HG2 GLU A 89 0.375 -11.113 5.444 1.00 0.00 H new ATOM 0 HG3 GLU A 89 0.818 -9.422 5.322 1.00 0.00 H new ATOM 1403 N ALA A 90 -4.206 -9.493 5.424 1.00 0.00 N ATOM 1404 CA ALA A 90 -5.567 -9.194 5.853 1.00 0.00 C ATOM 1405 C ALA A 90 -6.507 -10.360 5.564 1.00 0.00 C ATOM 1406 O ALA A 90 -7.363 -10.697 6.382 1.00 0.00 O ATOM 1407 CB ALA A 90 -6.068 -7.930 5.171 1.00 0.00 C ATOM 0 H ALA A 90 -3.832 -8.849 4.727 1.00 0.00 H new ATOM 0 HA ALA A 90 -5.553 -9.034 6.931 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -7.085 -7.718 5.500 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -5.420 -7.094 5.433 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -6.058 -8.071 4.090 1.00 0.00 H new