USER MOD reduce.3.24.130724 H: found=0, std=0, add=462, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 461 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 38 LYS NZ :NH3+ -125:sc= 0.79 (180deg=-1.89) USER MOD Set 1.2: A 53 CYS SG : rot 180:sc= -1.23 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot -20:sc= 0.42 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 25 TYR OH : rot 180:sc= -1.66! USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot -145:sc= 0.818 USER MOD Single : A 36 GLN : amide:sc= -3.98! C(o=-4!,f=-5.2!) USER MOD Single : A 42 SER OG : rot -30:sc= -0.23 USER MOD Single : A 43 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 44 GLN :FLIP amide:sc= -0.312 F(o=-1.3,f=-0.31) USER MOD Single : A 45 THR OG1 : rot -72:sc= 0.454 USER MOD Single : A 46 HIS : no HD1:sc= -0.437 X(o=-0.44,f=-0.63) USER MOD Single : A 48 SER OG : rot 180:sc= -0.106 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -6.02! C(o=-6!,f=-5.7!) USER MOD Single : A 54 ASN : amide:sc= -0.532 X(o=-0.53,f=-0.7) USER MOD Single : A 58 ASN : amide:sc= 0 K(o=0,f=-0.61) USER MOD ----------------------------------------------------------------- ATOM 174 N LEU A 12 7.844 5.292 -1.844 1.00 0.00 N ATOM 175 CA LEU A 12 7.165 6.355 -1.057 1.00 0.00 C ATOM 176 C LEU A 12 7.939 6.603 0.254 1.00 0.00 C ATOM 177 O LEU A 12 8.700 5.761 0.688 1.00 0.00 O ATOM 178 CB LEU A 12 5.726 5.916 -0.737 1.00 0.00 C ATOM 179 CG LEU A 12 5.155 5.097 -1.894 1.00 0.00 C ATOM 180 CD1 LEU A 12 3.691 4.753 -1.596 1.00 0.00 C ATOM 181 CD2 LEU A 12 5.237 5.916 -3.185 1.00 0.00 C ATOM 0 HA LEU A 12 7.140 7.277 -1.638 1.00 0.00 H new ATOM 0 HB2 LEU A 12 5.714 5.324 0.178 1.00 0.00 H new ATOM 0 HB3 LEU A 12 5.102 6.792 -0.559 1.00 0.00 H new ATOM 0 HG LEU A 12 5.728 4.177 -2.012 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.280 4.169 -2.419 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.634 4.173 -0.675 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.117 5.673 -1.482 1.00 0.00 H new ATOM 0 HD21 LEU A 12 4.830 5.334 -4.012 1.00 0.00 H new ATOM 0 HD22 LEU A 12 4.661 6.835 -3.070 1.00 0.00 H new ATOM 0 HD23 LEU A 12 6.278 6.164 -3.393 1.00 0.00 H new ATOM 193 N PRO A 13 7.737 7.736 0.892 1.00 0.00 N ATOM 194 CA PRO A 13 8.432 8.052 2.178 1.00 0.00 C ATOM 195 C PRO A 13 8.210 6.966 3.247 1.00 0.00 C ATOM 196 O PRO A 13 7.168 6.343 3.319 1.00 0.00 O ATOM 197 CB PRO A 13 7.809 9.391 2.625 1.00 0.00 C ATOM 198 CG PRO A 13 7.228 10.000 1.386 1.00 0.00 C ATOM 199 CD PRO A 13 6.852 8.841 0.464 1.00 0.00 C ATOM 0 HA PRO A 13 9.513 8.104 2.046 1.00 0.00 H new ATOM 0 HB2 PRO A 13 7.040 9.232 3.381 1.00 0.00 H new ATOM 0 HB3 PRO A 13 8.561 10.045 3.067 1.00 0.00 H new ATOM 0 HG2 PRO A 13 6.353 10.604 1.625 1.00 0.00 H new ATOM 0 HG3 PRO A 13 7.949 10.660 0.904 1.00 0.00 H new ATOM 0 HD2 PRO A 13 5.801 8.573 0.569 1.00 0.00 H new ATOM 0 HD3 PRO A 13 7.012 9.097 -0.583 1.00 0.00 H new ATOM 207 N LYS A 14 9.194 6.739 4.071 1.00 0.00 N ATOM 208 CA LYS A 14 9.071 5.701 5.136 1.00 0.00 C ATOM 209 C LYS A 14 7.762 5.898 5.905 1.00 0.00 C ATOM 210 O LYS A 14 7.152 4.954 6.370 1.00 0.00 O ATOM 211 CB LYS A 14 10.259 5.836 6.098 1.00 0.00 C ATOM 212 CG LYS A 14 10.223 7.210 6.786 1.00 0.00 C ATOM 213 CD LYS A 14 11.454 7.363 7.683 1.00 0.00 C ATOM 214 CE LYS A 14 11.422 8.730 8.374 1.00 0.00 C ATOM 215 NZ LYS A 14 12.627 8.878 9.237 1.00 0.00 N ATOM 0 H LYS A 14 10.087 7.232 4.053 1.00 0.00 H new ATOM 0 HA LYS A 14 9.069 4.709 4.684 1.00 0.00 H new ATOM 0 HB2 LYS A 14 10.224 5.044 6.846 1.00 0.00 H new ATOM 0 HB3 LYS A 14 11.195 5.717 5.552 1.00 0.00 H new ATOM 0 HG2 LYS A 14 10.204 8.003 6.038 1.00 0.00 H new ATOM 0 HG3 LYS A 14 9.313 7.308 7.378 1.00 0.00 H new ATOM 0 HD2 LYS A 14 11.474 6.568 8.429 1.00 0.00 H new ATOM 0 HD3 LYS A 14 12.363 7.266 7.089 1.00 0.00 H new ATOM 0 HE2 LYS A 14 11.395 9.525 7.629 1.00 0.00 H new ATOM 0 HE3 LYS A 14 10.517 8.825 8.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 12.606 9.806 9.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 12.634 8.126 9.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 13.484 8.805 8.652 1.00 0.00 H new ATOM 229 N GLU A 15 7.336 7.119 6.056 1.00 0.00 N ATOM 230 CA GLU A 15 6.079 7.383 6.808 1.00 0.00 C ATOM 231 C GLU A 15 4.886 6.777 6.061 1.00 0.00 C ATOM 232 O GLU A 15 4.058 6.095 6.633 1.00 0.00 O ATOM 233 CB GLU A 15 5.887 8.894 6.924 1.00 0.00 C ATOM 234 CG GLU A 15 7.025 9.504 7.750 1.00 0.00 C ATOM 235 CD GLU A 15 6.955 8.988 9.186 1.00 0.00 C ATOM 236 OE1 GLU A 15 5.901 8.508 9.572 1.00 0.00 O ATOM 237 OE2 GLU A 15 7.957 9.080 9.878 1.00 0.00 O ATOM 0 H GLU A 15 7.805 7.948 5.690 1.00 0.00 H new ATOM 0 HA GLU A 15 6.143 6.933 7.799 1.00 0.00 H new ATOM 0 HB2 GLU A 15 5.865 9.344 5.931 1.00 0.00 H new ATOM 0 HB3 GLU A 15 4.928 9.112 7.394 1.00 0.00 H new ATOM 0 HG2 GLU A 15 7.987 9.246 7.307 1.00 0.00 H new ATOM 0 HG3 GLU A 15 6.951 10.591 7.740 1.00 0.00 H new ATOM 244 N SER A 16 4.789 7.026 4.784 1.00 0.00 N ATOM 245 CA SER A 16 3.652 6.466 3.996 1.00 0.00 C ATOM 246 C SER A 16 3.818 4.951 3.853 1.00 0.00 C ATOM 247 O SER A 16 2.855 4.210 3.802 1.00 0.00 O ATOM 248 CB SER A 16 3.618 7.115 2.614 1.00 0.00 C ATOM 249 OG SER A 16 4.851 6.870 1.955 1.00 0.00 O ATOM 0 H SER A 16 5.448 7.593 4.251 1.00 0.00 H new ATOM 0 HA SER A 16 2.716 6.675 4.515 1.00 0.00 H new ATOM 0 HB2 SER A 16 2.792 6.710 2.029 1.00 0.00 H new ATOM 0 HB3 SER A 16 3.448 8.188 2.706 1.00 0.00 H new ATOM 0 HG SER A 16 5.537 6.643 2.618 1.00 0.00 H new ATOM 255 N VAL A 17 5.034 4.482 3.784 1.00 0.00 N ATOM 256 CA VAL A 17 5.262 3.015 3.641 1.00 0.00 C ATOM 257 C VAL A 17 4.734 2.300 4.888 1.00 0.00 C ATOM 258 O VAL A 17 4.081 1.279 4.803 1.00 0.00 O ATOM 259 CB VAL A 17 6.759 2.738 3.500 1.00 0.00 C ATOM 260 CG1 VAL A 17 7.003 1.225 3.504 1.00 0.00 C ATOM 261 CG2 VAL A 17 7.274 3.330 2.185 1.00 0.00 C ATOM 0 H VAL A 17 5.880 5.051 3.820 1.00 0.00 H new ATOM 0 HA VAL A 17 4.741 2.652 2.755 1.00 0.00 H new ATOM 0 HB VAL A 17 7.288 3.197 4.335 1.00 0.00 H new ATOM 0 HG11 VAL A 17 8.070 1.028 3.403 1.00 0.00 H new ATOM 0 HG12 VAL A 17 6.643 0.801 4.441 1.00 0.00 H new ATOM 0 HG13 VAL A 17 6.470 0.768 2.670 1.00 0.00 H new ATOM 0 HG21 VAL A 17 8.341 3.130 2.089 1.00 0.00 H new ATOM 0 HG22 VAL A 17 6.743 2.875 1.349 1.00 0.00 H new ATOM 0 HG23 VAL A 17 7.105 4.407 2.180 1.00 0.00 H new ATOM 271 N GLN A 18 5.018 2.825 6.046 1.00 0.00 N ATOM 272 CA GLN A 18 4.532 2.179 7.298 1.00 0.00 C ATOM 273 C GLN A 18 3.002 2.200 7.319 1.00 0.00 C ATOM 274 O GLN A 18 2.357 1.218 7.626 1.00 0.00 O ATOM 275 CB GLN A 18 5.062 2.957 8.502 1.00 0.00 C ATOM 276 CG GLN A 18 6.566 2.719 8.652 1.00 0.00 C ATOM 277 CD GLN A 18 7.103 3.550 9.822 1.00 0.00 C ATOM 278 OE1 GLN A 18 6.534 3.547 10.898 1.00 0.00 O ATOM 279 NE2 GLN A 18 8.180 4.266 9.657 1.00 0.00 N ATOM 0 H GLN A 18 5.566 3.675 6.181 1.00 0.00 H new ATOM 0 HA GLN A 18 4.884 1.148 7.340 1.00 0.00 H new ATOM 0 HB2 GLN A 18 4.864 4.021 8.375 1.00 0.00 H new ATOM 0 HB3 GLN A 18 4.543 2.642 9.407 1.00 0.00 H new ATOM 0 HG2 GLN A 18 6.762 1.661 8.824 1.00 0.00 H new ATOM 0 HG3 GLN A 18 7.081 2.993 7.731 1.00 0.00 H new ATOM 0 HE21 GLN A 18 8.657 4.269 8.756 1.00 0.00 H new ATOM 0 HE22 GLN A 18 8.545 4.823 10.429 1.00 0.00 H new ATOM 288 N ILE A 19 2.419 3.320 7.002 1.00 0.00 N ATOM 289 CA ILE A 19 0.933 3.416 7.006 1.00 0.00 C ATOM 290 C ILE A 19 0.350 2.492 5.931 1.00 0.00 C ATOM 291 O ILE A 19 -0.578 1.744 6.169 1.00 0.00 O ATOM 292 CB ILE A 19 0.539 4.863 6.695 1.00 0.00 C ATOM 293 CG1 ILE A 19 0.974 5.772 7.850 1.00 0.00 C ATOM 294 CG2 ILE A 19 -0.979 4.961 6.504 1.00 0.00 C ATOM 295 CD1 ILE A 19 0.840 7.240 7.431 1.00 0.00 C ATOM 0 H ILE A 19 2.908 4.176 6.739 1.00 0.00 H new ATOM 0 HA ILE A 19 0.546 3.118 7.980 1.00 0.00 H new ATOM 0 HB ILE A 19 1.034 5.180 5.777 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.360 5.577 8.730 1.00 0.00 H new ATOM 0 HG13 ILE A 19 2.006 5.556 8.127 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.252 5.993 6.283 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -1.284 4.320 5.677 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -1.482 4.640 7.416 1.00 0.00 H new ATOM 0 HD11 ILE A 19 1.150 7.883 8.255 1.00 0.00 H new ATOM 0 HD12 ILE A 19 1.473 7.430 6.564 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -0.198 7.452 7.176 1.00 0.00 H new ATOM 307 N LEU A 20 0.887 2.549 4.745 1.00 0.00 N ATOM 308 CA LEU A 20 0.372 1.690 3.641 1.00 0.00 C ATOM 309 C LEU A 20 0.667 0.217 3.939 1.00 0.00 C ATOM 310 O LEU A 20 -0.152 -0.653 3.720 1.00 0.00 O ATOM 311 CB LEU A 20 1.063 2.100 2.343 1.00 0.00 C ATOM 312 CG LEU A 20 0.607 3.509 1.923 1.00 0.00 C ATOM 313 CD1 LEU A 20 1.533 4.038 0.823 1.00 0.00 C ATOM 314 CD2 LEU A 20 -0.844 3.479 1.403 1.00 0.00 C ATOM 0 H LEU A 20 1.665 3.157 4.491 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.707 1.817 3.549 1.00 0.00 H new ATOM 0 HB2 LEU A 20 2.145 2.084 2.477 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.829 1.384 1.555 1.00 0.00 H new ATOM 0 HG LEU A 20 0.652 4.164 2.793 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.211 5.036 0.525 1.00 0.00 H new ATOM 0 HD12 LEU A 20 2.555 4.084 1.199 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.493 3.371 -0.038 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.147 4.485 1.111 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.908 2.816 0.540 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.505 3.115 2.190 1.00 0.00 H new ATOM 326 N ARG A 21 1.841 -0.065 4.424 1.00 0.00 N ATOM 327 CA ARG A 21 2.209 -1.476 4.729 1.00 0.00 C ATOM 328 C ARG A 21 1.345 -1.997 5.881 1.00 0.00 C ATOM 329 O ARG A 21 0.887 -3.122 5.871 1.00 0.00 O ATOM 330 CB ARG A 21 3.684 -1.527 5.134 1.00 0.00 C ATOM 331 CG ARG A 21 4.113 -2.982 5.356 1.00 0.00 C ATOM 332 CD ARG A 21 5.578 -3.021 5.801 1.00 0.00 C ATOM 333 NE ARG A 21 6.035 -4.440 5.881 1.00 0.00 N ATOM 334 CZ ARG A 21 6.551 -5.032 4.836 1.00 0.00 C ATOM 335 NH1 ARG A 21 6.666 -4.391 3.706 1.00 0.00 N ATOM 336 NH2 ARG A 21 6.950 -6.270 4.921 1.00 0.00 N ATOM 0 H ARG A 21 2.567 0.624 4.624 1.00 0.00 H new ATOM 0 HA ARG A 21 2.044 -2.098 3.849 1.00 0.00 H new ATOM 0 HB2 ARG A 21 4.299 -1.071 4.358 1.00 0.00 H new ATOM 0 HB3 ARG A 21 3.840 -0.949 6.045 1.00 0.00 H new ATOM 0 HG2 ARG A 21 3.480 -3.448 6.111 1.00 0.00 H new ATOM 0 HG3 ARG A 21 3.986 -3.554 4.437 1.00 0.00 H new ATOM 0 HD2 ARG A 21 6.198 -2.467 5.096 1.00 0.00 H new ATOM 0 HD3 ARG A 21 5.688 -2.537 6.771 1.00 0.00 H new ATOM 0 HE ARG A 21 5.944 -4.952 6.759 1.00 0.00 H new ATOM 0 HH11 ARG A 21 6.353 -3.423 3.635 1.00 0.00 H new ATOM 0 HH12 ARG A 21 7.069 -4.858 2.894 1.00 0.00 H new ATOM 0 HH21 ARG A 21 6.859 -6.776 5.802 1.00 0.00 H new ATOM 0 HH22 ARG A 21 7.353 -6.733 4.106 1.00 0.00 H new ATOM 350 N ASP A 22 1.142 -1.191 6.885 1.00 0.00 N ATOM 351 CA ASP A 22 0.328 -1.635 8.053 1.00 0.00 C ATOM 352 C ASP A 22 -1.100 -1.966 7.605 1.00 0.00 C ATOM 353 O ASP A 22 -1.653 -2.984 7.962 1.00 0.00 O ATOM 354 CB ASP A 22 0.284 -0.508 9.082 1.00 0.00 C ATOM 355 CG ASP A 22 -0.565 -0.934 10.281 1.00 0.00 C ATOM 356 OD1 ASP A 22 -0.183 -1.883 10.947 1.00 0.00 O ATOM 357 OD2 ASP A 22 -1.583 -0.303 10.512 1.00 0.00 O ATOM 0 H ASP A 22 1.506 -0.240 6.948 1.00 0.00 H new ATOM 0 HA ASP A 22 0.779 -2.526 8.489 1.00 0.00 H new ATOM 0 HB2 ASP A 22 1.294 -0.262 9.409 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -0.133 0.392 8.631 1.00 0.00 H new ATOM 362 N TRP A 23 -1.700 -1.107 6.833 1.00 0.00 N ATOM 363 CA TRP A 23 -3.094 -1.364 6.369 1.00 0.00 C ATOM 364 C TRP A 23 -3.150 -2.694 5.616 1.00 0.00 C ATOM 365 O TRP A 23 -4.058 -3.485 5.785 1.00 0.00 O ATOM 366 CB TRP A 23 -3.521 -0.236 5.430 1.00 0.00 C ATOM 367 CG TRP A 23 -4.962 -0.391 5.073 1.00 0.00 C ATOM 368 CD1 TRP A 23 -5.995 0.092 5.800 1.00 0.00 C ATOM 369 CD2 TRP A 23 -5.552 -1.063 3.920 1.00 0.00 C ATOM 370 NE1 TRP A 23 -7.180 -0.238 5.169 1.00 0.00 N ATOM 371 CE2 TRP A 23 -6.959 -0.950 4.006 1.00 0.00 C ATOM 372 CE3 TRP A 23 -5.007 -1.750 2.817 1.00 0.00 C ATOM 373 CZ2 TRP A 23 -7.799 -1.503 3.038 1.00 0.00 C ATOM 374 CZ3 TRP A 23 -5.850 -2.307 1.842 1.00 0.00 C ATOM 375 CH2 TRP A 23 -7.242 -2.182 1.950 1.00 0.00 C ATOM 0 H TRP A 23 -1.287 -0.236 6.501 1.00 0.00 H new ATOM 0 HA TRP A 23 -3.763 -1.408 7.229 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -3.358 0.729 5.909 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -2.910 -0.251 4.527 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -5.908 0.645 6.723 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -8.104 0.013 5.519 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -3.936 -1.849 2.721 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -8.871 -1.407 3.129 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -5.423 -2.836 1.003 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -7.884 -2.610 1.194 1.00 0.00 H new ATOM 386 N LEU A 24 -2.188 -2.940 4.776 1.00 0.00 N ATOM 387 CA LEU A 24 -2.181 -4.213 4.001 1.00 0.00 C ATOM 388 C LEU A 24 -2.056 -5.399 4.964 1.00 0.00 C ATOM 389 O LEU A 24 -2.699 -6.418 4.803 1.00 0.00 O ATOM 390 CB LEU A 24 -0.994 -4.204 3.038 1.00 0.00 C ATOM 391 CG LEU A 24 -1.024 -5.453 2.141 1.00 0.00 C ATOM 392 CD1 LEU A 24 -2.263 -5.426 1.226 1.00 0.00 C ATOM 393 CD2 LEU A 24 0.254 -5.490 1.289 1.00 0.00 C ATOM 0 H LEU A 24 -1.404 -2.315 4.591 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.109 -4.307 3.437 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -1.024 -3.305 2.422 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -0.061 -4.174 3.601 1.00 0.00 H new ATOM 0 HG LEU A 24 -1.076 -6.344 2.766 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.270 -6.316 0.597 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -3.166 -5.405 1.836 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -2.231 -4.537 0.596 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.240 -6.373 0.650 1.00 0.00 H new ATOM 0 HD22 LEU A 24 0.304 -4.595 0.669 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.126 -5.529 1.942 1.00 0.00 H new ATOM 405 N TYR A 25 -1.220 -5.271 5.954 1.00 0.00 N ATOM 406 CA TYR A 25 -1.031 -6.382 6.930 1.00 0.00 C ATOM 407 C TYR A 25 -2.355 -6.657 7.654 1.00 0.00 C ATOM 408 O TYR A 25 -2.662 -7.778 8.011 1.00 0.00 O ATOM 409 CB TYR A 25 0.058 -5.977 7.940 1.00 0.00 C ATOM 410 CG TYR A 25 1.426 -6.382 7.431 1.00 0.00 C ATOM 411 CD1 TYR A 25 1.799 -6.083 6.116 1.00 0.00 C ATOM 412 CD2 TYR A 25 2.315 -7.063 8.273 1.00 0.00 C ATOM 413 CE1 TYR A 25 3.059 -6.464 5.642 1.00 0.00 C ATOM 414 CE2 TYR A 25 3.575 -7.445 7.799 1.00 0.00 C ATOM 415 CZ TYR A 25 3.947 -7.145 6.484 1.00 0.00 C ATOM 416 OH TYR A 25 5.188 -7.523 6.015 1.00 0.00 O ATOM 0 H TYR A 25 -0.655 -4.440 6.132 1.00 0.00 H new ATOM 0 HA TYR A 25 -0.722 -7.290 6.412 1.00 0.00 H new ATOM 0 HB2 TYR A 25 0.028 -4.900 8.104 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -0.134 -6.452 8.902 1.00 0.00 H new ATOM 0 HD1 TYR A 25 1.114 -5.558 5.467 1.00 0.00 H new ATOM 0 HD2 TYR A 25 2.028 -7.293 9.288 1.00 0.00 H new ATOM 0 HE1 TYR A 25 3.347 -6.233 4.627 1.00 0.00 H new ATOM 0 HE2 TYR A 25 4.260 -7.971 8.448 1.00 0.00 H new ATOM 0 HH TYR A 25 5.680 -7.984 6.726 1.00 0.00 H new ATOM 426 N GLU A 26 -3.127 -5.639 7.887 1.00 0.00 N ATOM 427 CA GLU A 26 -4.422 -5.830 8.595 1.00 0.00 C ATOM 428 C GLU A 26 -5.393 -6.622 7.715 1.00 0.00 C ATOM 429 O GLU A 26 -6.154 -7.438 8.201 1.00 0.00 O ATOM 430 CB GLU A 26 -5.021 -4.464 8.917 1.00 0.00 C ATOM 431 CG GLU A 26 -4.155 -3.771 9.970 1.00 0.00 C ATOM 432 CD GLU A 26 -4.696 -2.364 10.235 1.00 0.00 C ATOM 433 OE1 GLU A 26 -5.681 -2.001 9.613 1.00 0.00 O ATOM 434 OE2 GLU A 26 -4.116 -1.674 11.057 1.00 0.00 O ATOM 0 H GLU A 26 -2.918 -4.678 7.617 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.250 -6.386 9.517 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -5.074 -3.855 8.015 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -6.041 -4.578 9.285 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -4.154 -4.351 10.893 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -3.122 -3.716 9.627 1.00 0.00 H new ATOM 441 N HIS A 27 -5.378 -6.382 6.427 1.00 0.00 N ATOM 442 CA HIS A 27 -6.304 -7.110 5.500 1.00 0.00 C ATOM 443 C HIS A 27 -5.491 -7.777 4.389 1.00 0.00 C ATOM 444 O HIS A 27 -5.584 -7.420 3.229 1.00 0.00 O ATOM 445 CB HIS A 27 -7.296 -6.109 4.902 1.00 0.00 C ATOM 446 CG HIS A 27 -8.183 -5.580 6.000 1.00 0.00 C ATOM 447 ND1 HIS A 27 -9.313 -6.260 6.429 1.00 0.00 N ATOM 448 CD2 HIS A 27 -8.115 -4.444 6.772 1.00 0.00 C ATOM 449 CE1 HIS A 27 -9.873 -5.536 7.415 1.00 0.00 C ATOM 450 NE2 HIS A 27 -9.182 -4.420 7.665 1.00 0.00 N ATOM 0 H HIS A 27 -4.760 -5.709 5.974 1.00 0.00 H new ATOM 0 HA HIS A 27 -6.852 -7.879 6.045 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -6.761 -5.289 4.423 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -7.898 -6.590 4.131 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -7.350 -3.686 6.697 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -10.772 -5.822 7.941 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -9.392 -3.704 8.361 1.00 0.00 H new ATOM 458 N ARG A 28 -4.688 -8.747 4.742 1.00 0.00 N ATOM 459 CA ARG A 28 -3.851 -9.450 3.725 1.00 0.00 C ATOM 460 C ARG A 28 -4.717 -10.374 2.868 1.00 0.00 C ATOM 461 O ARG A 28 -5.771 -10.811 3.280 1.00 0.00 O ATOM 462 CB ARG A 28 -2.772 -10.279 4.422 1.00 0.00 C ATOM 463 CG ARG A 28 -1.827 -9.348 5.180 1.00 0.00 C ATOM 464 CD ARG A 28 -0.744 -10.169 5.889 1.00 0.00 C ATOM 465 NE ARG A 28 0.114 -10.847 4.874 1.00 0.00 N ATOM 466 CZ ARG A 28 1.140 -10.228 4.347 1.00 0.00 C ATOM 467 NH1 ARG A 28 1.434 -9.009 4.708 1.00 0.00 N ATOM 468 NH2 ARG A 28 1.872 -10.837 3.457 1.00 0.00 N ATOM 0 H ARG A 28 -4.576 -9.084 5.698 1.00 0.00 H new ATOM 0 HA ARG A 28 -3.384 -8.701 3.086 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -3.231 -10.988 5.111 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -2.215 -10.862 3.688 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -1.366 -8.642 4.489 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -2.387 -8.762 5.909 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -0.136 -9.520 6.519 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -1.204 -10.909 6.544 1.00 0.00 H new ATOM 0 HE ARG A 28 -0.101 -11.802 4.588 1.00 0.00 H new ATOM 0 HH11 ARG A 28 0.863 -8.532 5.405 1.00 0.00 H new ATOM 0 HH12 ARG A 28 2.235 -8.533 4.293 1.00 0.00 H new ATOM 0 HH21 ARG A 28 1.644 -11.790 3.175 1.00 0.00 H new ATOM 0 HH22 ARG A 28 2.673 -10.360 3.043 1.00 0.00 H new ATOM 482 N TYR A 29 -4.264 -10.669 1.678 1.00 0.00 N ATOM 483 CA TYR A 29 -5.027 -11.570 0.759 1.00 0.00 C ATOM 484 C TYR A 29 -6.324 -10.889 0.325 1.00 0.00 C ATOM 485 O TYR A 29 -6.538 -10.624 -0.843 1.00 0.00 O ATOM 486 CB TYR A 29 -5.357 -12.901 1.458 1.00 0.00 C ATOM 487 CG TYR A 29 -5.704 -13.942 0.417 1.00 0.00 C ATOM 488 CD1 TYR A 29 -4.688 -14.711 -0.162 1.00 0.00 C ATOM 489 CD2 TYR A 29 -7.035 -14.133 0.029 1.00 0.00 C ATOM 490 CE1 TYR A 29 -5.004 -15.672 -1.130 1.00 0.00 C ATOM 491 CE2 TYR A 29 -7.352 -15.096 -0.938 1.00 0.00 C ATOM 492 CZ TYR A 29 -6.336 -15.864 -1.518 1.00 0.00 C ATOM 493 OH TYR A 29 -6.647 -16.811 -2.472 1.00 0.00 O ATOM 0 H TYR A 29 -3.385 -10.319 1.297 1.00 0.00 H new ATOM 0 HA TYR A 29 -4.410 -11.774 -0.116 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -4.505 -13.234 2.051 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -6.192 -12.766 2.146 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -3.661 -14.563 0.138 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -7.818 -13.538 0.475 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -4.220 -16.265 -1.578 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -8.379 -15.245 -1.236 1.00 0.00 H new ATOM 0 HH TYR A 29 -7.615 -16.816 -2.624 1.00 0.00 H new ATOM 503 N ASN A 30 -7.201 -10.614 1.249 1.00 0.00 N ATOM 504 CA ASN A 30 -8.487 -9.961 0.877 1.00 0.00 C ATOM 505 C ASN A 30 -8.284 -8.448 0.750 1.00 0.00 C ATOM 506 O ASN A 30 -8.291 -7.723 1.725 1.00 0.00 O ATOM 507 CB ASN A 30 -9.523 -10.258 1.961 1.00 0.00 C ATOM 508 CG ASN A 30 -10.881 -9.688 1.550 1.00 0.00 C ATOM 509 OD1 ASN A 30 -11.159 -9.537 0.376 1.00 0.00 O ATOM 510 ND2 ASN A 30 -11.746 -9.369 2.473 1.00 0.00 N ATOM 0 H ASN A 30 -7.084 -10.812 2.243 1.00 0.00 H new ATOM 0 HA ASN A 30 -8.835 -10.349 -0.080 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -9.602 -11.334 2.116 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -9.207 -9.822 2.908 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -12.657 -8.992 2.210 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -11.512 -9.496 3.458 1.00 0.00 H new ATOM 517 N ALA A 31 -8.113 -7.964 -0.450 1.00 0.00 N ATOM 518 CA ALA A 31 -7.921 -6.501 -0.652 1.00 0.00 C ATOM 519 C ALA A 31 -7.965 -6.210 -2.152 1.00 0.00 C ATOM 520 O ALA A 31 -6.979 -5.828 -2.752 1.00 0.00 O ATOM 521 CB ALA A 31 -6.569 -6.068 -0.070 1.00 0.00 C ATOM 0 H ALA A 31 -8.098 -8.523 -1.303 1.00 0.00 H new ATOM 0 HA ALA A 31 -8.709 -5.946 -0.144 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -6.434 -4.997 -0.221 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -6.544 -6.290 0.997 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -5.767 -6.609 -0.572 1.00 0.00 H new ATOM 527 N TYR A 32 -9.100 -6.402 -2.767 1.00 0.00 N ATOM 528 CA TYR A 32 -9.198 -6.154 -4.233 1.00 0.00 C ATOM 529 C TYR A 32 -9.272 -4.641 -4.497 1.00 0.00 C ATOM 530 O TYR A 32 -9.696 -3.889 -3.644 1.00 0.00 O ATOM 531 CB TYR A 32 -10.462 -6.836 -4.781 1.00 0.00 C ATOM 532 CG TYR A 32 -10.184 -8.299 -5.024 1.00 0.00 C ATOM 533 CD1 TYR A 32 -9.674 -8.719 -6.259 1.00 0.00 C ATOM 534 CD2 TYR A 32 -10.428 -9.232 -4.013 1.00 0.00 C ATOM 535 CE1 TYR A 32 -9.409 -10.074 -6.480 1.00 0.00 C ATOM 536 CE2 TYR A 32 -10.161 -10.586 -4.232 1.00 0.00 C ATOM 537 CZ TYR A 32 -9.652 -11.008 -5.465 1.00 0.00 C ATOM 538 OH TYR A 32 -9.387 -12.344 -5.680 1.00 0.00 O ATOM 0 H TYR A 32 -9.960 -6.719 -2.320 1.00 0.00 H new ATOM 0 HA TYR A 32 -8.319 -6.563 -4.731 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -11.283 -6.724 -4.073 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -10.773 -6.356 -5.709 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -9.486 -7.997 -7.040 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -10.823 -8.907 -3.062 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -9.017 -10.400 -7.432 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -10.348 -11.307 -3.450 1.00 0.00 H new ATOM 0 HH TYR A 32 -9.611 -12.856 -4.875 1.00 0.00 H new ATOM 548 N PRO A 33 -8.879 -4.193 -5.673 1.00 0.00 N ATOM 549 CA PRO A 33 -8.926 -2.739 -6.020 1.00 0.00 C ATOM 550 C PRO A 33 -10.295 -2.105 -5.721 1.00 0.00 C ATOM 551 O PRO A 33 -11.329 -2.598 -6.130 1.00 0.00 O ATOM 552 CB PRO A 33 -8.639 -2.711 -7.532 1.00 0.00 C ATOM 553 CG PRO A 33 -7.877 -3.968 -7.816 1.00 0.00 C ATOM 554 CD PRO A 33 -8.336 -5.004 -6.784 1.00 0.00 C ATOM 0 HA PRO A 33 -8.212 -2.164 -5.430 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -9.564 -2.674 -8.107 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -8.059 -1.830 -7.805 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -8.072 -4.318 -8.829 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -6.803 -3.795 -7.740 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -9.093 -5.670 -7.198 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -7.508 -5.630 -6.452 1.00 0.00 H new ATOM 562 N SER A 34 -10.301 -1.008 -5.012 1.00 0.00 N ATOM 563 CA SER A 34 -11.587 -0.337 -4.688 1.00 0.00 C ATOM 564 C SER A 34 -11.333 1.140 -4.367 1.00 0.00 C ATOM 565 O SER A 34 -10.353 1.495 -3.743 1.00 0.00 O ATOM 566 CB SER A 34 -12.224 -1.023 -3.481 1.00 0.00 C ATOM 567 OG SER A 34 -13.271 -0.208 -2.972 1.00 0.00 O ATOM 0 H SER A 34 -9.468 -0.549 -4.644 1.00 0.00 H new ATOM 0 HA SER A 34 -12.259 -0.406 -5.543 1.00 0.00 H new ATOM 0 HB2 SER A 34 -12.615 -1.999 -3.768 1.00 0.00 H new ATOM 0 HB3 SER A 34 -11.474 -1.195 -2.709 1.00 0.00 H new ATOM 0 HG SER A 34 -13.309 -0.295 -1.997 1.00 0.00 H new ATOM 573 N GLU A 35 -12.221 1.998 -4.791 1.00 0.00 N ATOM 574 CA GLU A 35 -12.061 3.456 -4.521 1.00 0.00 C ATOM 575 C GLU A 35 -12.243 3.724 -3.023 1.00 0.00 C ATOM 576 O GLU A 35 -11.596 4.575 -2.446 1.00 0.00 O ATOM 577 CB GLU A 35 -13.128 4.219 -5.306 1.00 0.00 C ATOM 578 CG GLU A 35 -12.839 4.101 -6.804 1.00 0.00 C ATOM 579 CD GLU A 35 -13.952 4.787 -7.601 1.00 0.00 C ATOM 580 OE1 GLU A 35 -14.838 5.350 -6.980 1.00 0.00 O ATOM 581 OE2 GLU A 35 -13.897 4.740 -8.818 1.00 0.00 O ATOM 0 H GLU A 35 -13.058 1.749 -5.318 1.00 0.00 H new ATOM 0 HA GLU A 35 -11.067 3.783 -4.825 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -14.116 3.817 -5.082 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -13.135 5.267 -5.007 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -11.877 4.559 -7.036 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -12.769 3.051 -7.089 1.00 0.00 H new ATOM 588 N GLN A 36 -13.132 3.010 -2.393 1.00 0.00 N ATOM 589 CA GLN A 36 -13.374 3.224 -0.935 1.00 0.00 C ATOM 590 C GLN A 36 -12.104 2.899 -0.144 1.00 0.00 C ATOM 591 O GLN A 36 -11.685 3.646 0.718 1.00 0.00 O ATOM 592 CB GLN A 36 -14.499 2.290 -0.485 1.00 0.00 C ATOM 593 CG GLN A 36 -14.916 2.616 0.954 1.00 0.00 C ATOM 594 CD GLN A 36 -13.890 2.036 1.934 1.00 0.00 C ATOM 595 OE1 GLN A 36 -13.046 2.750 2.441 1.00 0.00 O ATOM 596 NE2 GLN A 36 -13.922 0.763 2.221 1.00 0.00 N ATOM 0 H GLN A 36 -13.705 2.284 -2.824 1.00 0.00 H new ATOM 0 HA GLN A 36 -13.650 4.263 -0.757 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -15.355 2.393 -1.151 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -14.168 1.253 -0.549 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -14.989 3.696 1.086 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -15.903 2.202 1.159 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -14.629 0.162 1.797 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -13.240 0.369 2.869 1.00 0.00 H new ATOM 605 N GLU A 37 -11.496 1.783 -0.424 1.00 0.00 N ATOM 606 CA GLU A 37 -10.262 1.394 0.313 1.00 0.00 C ATOM 607 C GLU A 37 -9.112 2.336 -0.062 1.00 0.00 C ATOM 608 O GLU A 37 -8.412 2.848 0.788 1.00 0.00 O ATOM 609 CB GLU A 37 -9.892 -0.049 -0.066 1.00 0.00 C ATOM 610 CG GLU A 37 -10.746 -1.056 0.723 1.00 0.00 C ATOM 611 CD GLU A 37 -12.158 -1.132 0.133 1.00 0.00 C ATOM 612 OE1 GLU A 37 -12.451 -0.361 -0.760 1.00 0.00 O ATOM 613 OE2 GLU A 37 -12.922 -1.965 0.589 1.00 0.00 O ATOM 0 H GLU A 37 -11.801 1.119 -1.135 1.00 0.00 H new ATOM 0 HA GLU A 37 -10.438 1.463 1.386 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -10.040 -0.199 -1.135 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -8.835 -0.224 0.137 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -10.279 -2.040 0.694 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -10.797 -0.758 1.770 1.00 0.00 H new ATOM 620 N LYS A 38 -8.912 2.567 -1.325 1.00 0.00 N ATOM 621 CA LYS A 38 -7.807 3.474 -1.745 1.00 0.00 C ATOM 622 C LYS A 38 -8.072 4.880 -1.208 1.00 0.00 C ATOM 623 O LYS A 38 -7.176 5.570 -0.763 1.00 0.00 O ATOM 624 CB LYS A 38 -7.737 3.510 -3.269 1.00 0.00 C ATOM 625 CG LYS A 38 -7.276 2.146 -3.796 1.00 0.00 C ATOM 626 CD LYS A 38 -7.243 2.174 -5.327 1.00 0.00 C ATOM 627 CE LYS A 38 -6.838 0.795 -5.853 1.00 0.00 C ATOM 628 NZ LYS A 38 -5.426 0.509 -5.465 1.00 0.00 N ATOM 0 H LYS A 38 -9.463 2.169 -2.086 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.860 3.109 -1.347 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -8.714 3.759 -3.682 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -7.046 4.289 -3.593 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -6.287 1.909 -3.405 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -7.952 1.364 -3.451 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -8.222 2.451 -5.718 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -6.537 2.929 -5.673 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -7.500 0.030 -5.447 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -6.942 0.763 -6.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -4.872 0.279 -6.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -5.017 1.345 -5.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -5.403 -0.297 -4.808 1.00 0.00 H new ATOM 642 N ALA A 39 -9.299 5.311 -1.248 1.00 0.00 N ATOM 643 CA ALA A 39 -9.631 6.671 -0.741 1.00 0.00 C ATOM 644 C ALA A 39 -9.315 6.744 0.755 1.00 0.00 C ATOM 645 O ALA A 39 -8.881 7.759 1.262 1.00 0.00 O ATOM 646 CB ALA A 39 -11.121 6.935 -0.955 1.00 0.00 C ATOM 0 H ALA A 39 -10.090 4.779 -1.611 1.00 0.00 H new ATOM 0 HA ALA A 39 -9.044 7.417 -1.276 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -11.371 7.930 -0.586 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -11.352 6.874 -2.018 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -11.704 6.190 -0.414 1.00 0.00 H new ATOM 652 N LEU A 40 -9.550 5.677 1.467 1.00 0.00 N ATOM 653 CA LEU A 40 -9.281 5.682 2.934 1.00 0.00 C ATOM 654 C LEU A 40 -7.779 5.906 3.184 1.00 0.00 C ATOM 655 O LEU A 40 -7.382 6.768 3.943 1.00 0.00 O ATOM 656 CB LEU A 40 -9.707 4.322 3.505 1.00 0.00 C ATOM 657 CG LEU A 40 -10.031 4.449 4.998 1.00 0.00 C ATOM 658 CD1 LEU A 40 -10.532 3.100 5.527 1.00 0.00 C ATOM 659 CD2 LEU A 40 -8.777 4.881 5.773 1.00 0.00 C ATOM 0 H LEU A 40 -9.917 4.800 1.097 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.839 6.483 3.418 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -10.579 3.951 2.967 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.910 3.593 3.360 1.00 0.00 H new ATOM 0 HG LEU A 40 -10.806 5.203 5.136 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -10.763 3.189 6.589 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -11.430 2.807 4.984 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -9.760 2.344 5.385 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -9.016 4.969 6.833 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -7.992 4.137 5.639 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.432 5.844 5.398 1.00 0.00 H new ATOM 671 N LEU A 41 -6.948 5.137 2.534 1.00 0.00 N ATOM 672 CA LEU A 41 -5.472 5.293 2.711 1.00 0.00 C ATOM 673 C LEU A 41 -5.031 6.664 2.189 1.00 0.00 C ATOM 674 O LEU A 41 -4.177 7.315 2.759 1.00 0.00 O ATOM 675 CB LEU A 41 -4.753 4.182 1.939 1.00 0.00 C ATOM 676 CG LEU A 41 -4.679 2.916 2.799 1.00 0.00 C ATOM 677 CD1 LEU A 41 -6.083 2.504 3.239 1.00 0.00 C ATOM 678 CD2 LEU A 41 -4.046 1.786 1.985 1.00 0.00 C ATOM 0 H LEU A 41 -7.228 4.403 1.884 1.00 0.00 H new ATOM 0 HA LEU A 41 -5.219 5.221 3.769 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.282 3.971 1.010 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -3.749 4.507 1.667 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.072 3.116 3.682 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -6.023 1.603 3.850 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -6.532 3.308 3.821 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.696 2.306 2.360 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -3.992 0.884 2.595 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -4.653 1.591 1.101 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -3.041 2.077 1.678 1.00 0.00 H new ATOM 690 N SER A 42 -5.593 7.096 1.098 1.00 0.00 N ATOM 691 CA SER A 42 -5.196 8.413 0.527 1.00 0.00 C ATOM 692 C SER A 42 -5.437 9.510 1.565 1.00 0.00 C ATOM 693 O SER A 42 -4.668 10.441 1.695 1.00 0.00 O ATOM 694 CB SER A 42 -6.037 8.690 -0.715 1.00 0.00 C ATOM 695 OG SER A 42 -7.399 8.811 -0.332 1.00 0.00 O ATOM 0 H SER A 42 -6.311 6.595 0.575 1.00 0.00 H new ATOM 0 HA SER A 42 -4.140 8.397 0.259 1.00 0.00 H new ATOM 0 HB2 SER A 42 -5.700 9.605 -1.202 1.00 0.00 H new ATOM 0 HB3 SER A 42 -5.919 7.882 -1.438 1.00 0.00 H new ATOM 0 HG SER A 42 -7.569 8.249 0.453 1.00 0.00 H new ATOM 701 N GLN A 43 -6.499 9.400 2.311 1.00 0.00 N ATOM 702 CA GLN A 43 -6.791 10.423 3.354 1.00 0.00 C ATOM 703 C GLN A 43 -5.749 10.321 4.470 1.00 0.00 C ATOM 704 O GLN A 43 -5.278 11.313 4.991 1.00 0.00 O ATOM 705 CB GLN A 43 -8.183 10.164 3.926 1.00 0.00 C ATOM 706 CG GLN A 43 -9.244 10.549 2.894 1.00 0.00 C ATOM 707 CD GLN A 43 -10.632 10.177 3.422 1.00 0.00 C ATOM 708 OE1 GLN A 43 -10.767 9.713 4.539 1.00 0.00 O ATOM 709 NE2 GLN A 43 -11.676 10.361 2.662 1.00 0.00 N ATOM 0 H GLN A 43 -7.180 8.644 2.244 1.00 0.00 H new ATOM 0 HA GLN A 43 -6.754 11.421 2.917 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -8.287 9.112 4.194 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -8.324 10.741 4.840 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -9.196 11.619 2.690 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -9.053 10.036 1.952 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -11.563 10.750 1.726 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -12.605 10.116 3.004 1.00 0.00 H new ATOM 718 N GLN A 44 -5.392 9.124 4.843 1.00 0.00 N ATOM 719 CA GLN A 44 -4.386 8.949 5.926 1.00 0.00 C ATOM 720 C GLN A 44 -3.024 9.473 5.459 1.00 0.00 C ATOM 721 O GLN A 44 -2.343 10.189 6.167 1.00 0.00 O ATOM 722 CB GLN A 44 -4.267 7.462 6.264 1.00 0.00 C ATOM 723 CG GLN A 44 -5.573 6.970 6.894 1.00 0.00 C ATOM 724 CD GLN A 44 -5.431 5.498 7.293 1.00 0.00 C ATOM 725 OE1 GLN A 44 -5.789 4.565 6.453 1.00 0.00 O flip ATOM 726 NE2 GLN A 44 -4.987 5.192 8.382 1.00 0.00 N flip ATOM 0 H GLN A 44 -5.754 8.258 4.444 1.00 0.00 H new ATOM 0 HA GLN A 44 -4.702 9.506 6.808 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -4.049 6.890 5.362 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -3.437 7.301 6.952 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -5.815 7.572 7.770 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -6.395 7.088 6.188 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -4.706 5.918 9.041 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -4.895 4.209 8.637 1.00 0.00 H new ATOM 735 N THR A 45 -2.624 9.118 4.269 1.00 0.00 N ATOM 736 CA THR A 45 -1.316 9.580 3.741 1.00 0.00 C ATOM 737 C THR A 45 -1.516 10.883 2.975 1.00 0.00 C ATOM 738 O THR A 45 -2.625 11.287 2.686 1.00 0.00 O ATOM 739 CB THR A 45 -0.743 8.515 2.805 1.00 0.00 C ATOM 740 OG1 THR A 45 -1.601 8.361 1.682 1.00 0.00 O ATOM 741 CG2 THR A 45 -0.634 7.184 3.551 1.00 0.00 C ATOM 0 H THR A 45 -3.156 8.521 3.636 1.00 0.00 H new ATOM 0 HA THR A 45 -0.623 9.746 4.566 1.00 0.00 H new ATOM 0 HB THR A 45 0.247 8.823 2.467 1.00 0.00 H new ATOM 0 HG1 THR A 45 -2.420 7.898 1.957 1.00 0.00 H new ATOM 0 HG21 THR A 45 -0.226 6.425 2.884 1.00 0.00 H new ATOM 0 HG22 THR A 45 0.024 7.302 4.412 1.00 0.00 H new ATOM 0 HG23 THR A 45 -1.623 6.875 3.890 1.00 0.00 H new ATOM 749 N HIS A 46 -0.442 11.537 2.640 1.00 0.00 N ATOM 750 CA HIS A 46 -0.535 12.818 1.879 1.00 0.00 C ATOM 751 C HIS A 46 -0.275 12.540 0.394 1.00 0.00 C ATOM 752 O HIS A 46 -0.076 13.444 -0.395 1.00 0.00 O ATOM 753 CB HIS A 46 0.506 13.811 2.419 1.00 0.00 C ATOM 754 CG HIS A 46 1.869 13.168 2.463 1.00 0.00 C ATOM 755 ND1 HIS A 46 2.718 13.154 1.367 1.00 0.00 N ATOM 756 CD2 HIS A 46 2.552 12.534 3.472 1.00 0.00 C ATOM 757 CE1 HIS A 46 3.853 12.535 1.740 1.00 0.00 C ATOM 758 NE2 HIS A 46 3.805 12.135 3.013 1.00 0.00 N ATOM 0 H HIS A 46 0.508 11.238 2.862 1.00 0.00 H new ATOM 0 HA HIS A 46 -1.530 13.248 1.997 1.00 0.00 H new ATOM 0 HB2 HIS A 46 0.535 14.698 1.786 1.00 0.00 H new ATOM 0 HB3 HIS A 46 0.220 14.141 3.418 1.00 0.00 H new ATOM 0 HD2 HIS A 46 2.174 12.370 4.470 1.00 0.00 H new ATOM 0 HE1 HIS A 46 4.700 12.380 1.088 1.00 0.00 H new ATOM 0 HE2 HIS A 46 4.529 11.643 3.536 1.00 0.00 H new ATOM 766 N LEU A 47 -0.274 11.291 0.008 1.00 0.00 N ATOM 767 CA LEU A 47 -0.023 10.941 -1.420 1.00 0.00 C ATOM 768 C LEU A 47 -1.334 10.967 -2.205 1.00 0.00 C ATOM 769 O LEU A 47 -2.408 10.815 -1.657 1.00 0.00 O ATOM 770 CB LEU A 47 0.590 9.544 -1.501 1.00 0.00 C ATOM 771 CG LEU A 47 1.875 9.497 -0.666 1.00 0.00 C ATOM 772 CD1 LEU A 47 2.454 8.079 -0.705 1.00 0.00 C ATOM 773 CD2 LEU A 47 2.908 10.493 -1.226 1.00 0.00 C ATOM 0 H LEU A 47 -0.437 10.495 0.624 1.00 0.00 H new ATOM 0 HA LEU A 47 0.664 11.670 -1.850 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -0.120 8.802 -1.136 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.809 9.292 -2.538 1.00 0.00 H new ATOM 0 HG LEU A 47 1.643 9.771 0.363 1.00 0.00 H new ATOM 0 HD11 LEU A 47 3.368 8.043 -0.112 1.00 0.00 H new ATOM 0 HD12 LEU A 47 1.727 7.378 -0.295 1.00 0.00 H new ATOM 0 HD13 LEU A 47 2.679 7.806 -1.736 1.00 0.00 H new ATOM 0 HD21 LEU A 47 3.817 10.451 -0.625 1.00 0.00 H new ATOM 0 HD22 LEU A 47 3.143 10.232 -2.258 1.00 0.00 H new ATOM 0 HD23 LEU A 47 2.497 11.502 -1.192 1.00 0.00 H new ATOM 785 N SER A 48 -1.248 11.169 -3.492 1.00 0.00 N ATOM 786 CA SER A 48 -2.478 11.224 -4.328 1.00 0.00 C ATOM 787 C SER A 48 -3.039 9.815 -4.552 1.00 0.00 C ATOM 788 O SER A 48 -2.357 8.822 -4.397 1.00 0.00 O ATOM 789 CB SER A 48 -2.129 11.848 -5.679 1.00 0.00 C ATOM 790 OG SER A 48 -1.266 10.972 -6.395 1.00 0.00 O ATOM 0 H SER A 48 -0.374 11.299 -4.001 1.00 0.00 H new ATOM 0 HA SER A 48 -3.231 11.823 -3.816 1.00 0.00 H new ATOM 0 HB2 SER A 48 -3.037 12.031 -6.253 1.00 0.00 H new ATOM 0 HB3 SER A 48 -1.645 12.813 -5.532 1.00 0.00 H new ATOM 0 HG SER A 48 -1.043 11.370 -7.262 1.00 0.00 H new ATOM 796 N THR A 49 -4.288 9.735 -4.921 1.00 0.00 N ATOM 797 CA THR A 49 -4.920 8.412 -5.178 1.00 0.00 C ATOM 798 C THR A 49 -4.218 7.735 -6.356 1.00 0.00 C ATOM 799 O THR A 49 -3.949 6.550 -6.340 1.00 0.00 O ATOM 800 CB THR A 49 -6.393 8.622 -5.520 1.00 0.00 C ATOM 801 OG1 THR A 49 -6.983 9.477 -4.551 1.00 0.00 O ATOM 802 CG2 THR A 49 -7.116 7.272 -5.522 1.00 0.00 C ATOM 0 H THR A 49 -4.902 10.538 -5.056 1.00 0.00 H new ATOM 0 HA THR A 49 -4.832 7.783 -4.292 1.00 0.00 H new ATOM 0 HB THR A 49 -6.477 9.077 -6.507 1.00 0.00 H new ATOM 0 HG1 THR A 49 -7.928 9.615 -4.769 1.00 0.00 H new ATOM 0 HG21 THR A 49 -8.168 7.423 -5.766 1.00 0.00 H new ATOM 0 HG22 THR A 49 -6.661 6.617 -6.265 1.00 0.00 H new ATOM 0 HG23 THR A 49 -7.035 6.814 -4.536 1.00 0.00 H new ATOM 810 N LEU A 50 -3.935 8.479 -7.386 1.00 0.00 N ATOM 811 CA LEU A 50 -3.261 7.881 -8.573 1.00 0.00 C ATOM 812 C LEU A 50 -1.894 7.332 -8.161 1.00 0.00 C ATOM 813 O LEU A 50 -1.507 6.246 -8.542 1.00 0.00 O ATOM 814 CB LEU A 50 -3.072 8.968 -9.638 1.00 0.00 C ATOM 815 CG LEU A 50 -2.315 8.406 -10.853 1.00 0.00 C ATOM 816 CD1 LEU A 50 -3.058 7.191 -11.429 1.00 0.00 C ATOM 817 CD2 LEU A 50 -2.204 9.498 -11.926 1.00 0.00 C ATOM 0 H LEU A 50 -4.141 9.475 -7.459 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.870 7.071 -8.974 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.043 9.350 -9.952 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.521 9.808 -9.215 1.00 0.00 H new ATOM 0 HG LEU A 50 -1.320 8.091 -10.540 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.511 6.804 -12.288 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.133 6.415 -10.667 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.058 7.491 -11.741 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.668 9.106 -12.790 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -3.202 9.812 -12.230 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.662 10.353 -11.521 1.00 0.00 H new ATOM 829 N GLN A 51 -1.159 8.083 -7.392 1.00 0.00 N ATOM 830 CA GLN A 51 0.187 7.614 -6.956 1.00 0.00 C ATOM 831 C GLN A 51 0.031 6.396 -6.042 1.00 0.00 C ATOM 832 O GLN A 51 0.766 5.432 -6.135 1.00 0.00 O ATOM 833 CB GLN A 51 0.880 8.747 -6.191 1.00 0.00 C ATOM 834 CG GLN A 51 2.387 8.491 -6.121 1.00 0.00 C ATOM 835 CD GLN A 51 2.656 7.269 -5.239 1.00 0.00 C ATOM 836 OE1 GLN A 51 3.086 6.241 -5.721 1.00 0.00 O ATOM 837 NE2 GLN A 51 2.416 7.337 -3.957 1.00 0.00 N ATOM 0 H GLN A 51 -1.431 9.003 -7.045 1.00 0.00 H new ATOM 0 HA GLN A 51 0.784 7.335 -7.824 1.00 0.00 H new ATOM 0 HB2 GLN A 51 0.688 9.700 -6.684 1.00 0.00 H new ATOM 0 HB3 GLN A 51 0.469 8.821 -5.184 1.00 0.00 H new ATOM 0 HG2 GLN A 51 2.786 8.325 -7.122 1.00 0.00 H new ATOM 0 HG3 GLN A 51 2.897 9.365 -5.716 1.00 0.00 H new ATOM 0 HE21 GLN A 51 2.055 8.200 -3.551 1.00 0.00 H new ATOM 0 HE22 GLN A 51 2.590 6.527 -3.362 1.00 0.00 H new ATOM 846 N VAL A 52 -0.924 6.443 -5.161 1.00 0.00 N ATOM 847 CA VAL A 52 -1.148 5.302 -4.233 1.00 0.00 C ATOM 848 C VAL A 52 -1.595 4.077 -5.034 1.00 0.00 C ATOM 849 O VAL A 52 -1.156 2.971 -4.796 1.00 0.00 O ATOM 850 CB VAL A 52 -2.224 5.687 -3.216 1.00 0.00 C ATOM 851 CG1 VAL A 52 -2.632 4.458 -2.400 1.00 0.00 C ATOM 852 CG2 VAL A 52 -1.678 6.768 -2.273 1.00 0.00 C ATOM 0 H VAL A 52 -1.564 7.228 -5.042 1.00 0.00 H new ATOM 0 HA VAL A 52 -0.224 5.063 -3.706 1.00 0.00 H new ATOM 0 HB VAL A 52 -3.095 6.072 -3.746 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -3.398 4.739 -1.678 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -3.026 3.692 -3.068 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.762 4.066 -1.872 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.446 7.041 -1.549 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -0.804 6.384 -1.747 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.396 7.647 -2.852 1.00 0.00 H new ATOM 862 N CYS A 53 -2.475 4.268 -5.974 1.00 0.00 N ATOM 863 CA CYS A 53 -2.961 3.117 -6.789 1.00 0.00 C ATOM 864 C CYS A 53 -1.771 2.418 -7.459 1.00 0.00 C ATOM 865 O CYS A 53 -1.682 1.205 -7.491 1.00 0.00 O ATOM 866 CB CYS A 53 -3.931 3.641 -7.859 1.00 0.00 C ATOM 867 SG CYS A 53 -5.208 2.404 -8.195 1.00 0.00 S ATOM 0 H CYS A 53 -2.881 5.172 -6.215 1.00 0.00 H new ATOM 0 HA CYS A 53 -3.474 2.400 -6.148 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -4.392 4.569 -7.521 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -3.386 3.871 -8.774 1.00 0.00 H new ATOM 0 HG CYS A 53 -6.024 2.858 -9.099 1.00 0.00 H new ATOM 873 N ASN A 54 -0.866 3.177 -8.004 1.00 0.00 N ATOM 874 CA ASN A 54 0.311 2.568 -8.683 1.00 0.00 C ATOM 875 C ASN A 54 1.156 1.796 -7.665 1.00 0.00 C ATOM 876 O ASN A 54 1.602 0.693 -7.916 1.00 0.00 O ATOM 877 CB ASN A 54 1.156 3.683 -9.294 1.00 0.00 C ATOM 878 CG ASN A 54 0.316 4.482 -10.293 1.00 0.00 C ATOM 879 OD1 ASN A 54 0.409 5.693 -10.351 1.00 0.00 O ATOM 880 ND2 ASN A 54 -0.505 3.854 -11.089 1.00 0.00 N ATOM 0 H ASN A 54 -0.889 4.197 -8.009 1.00 0.00 H new ATOM 0 HA ASN A 54 -0.028 1.883 -9.460 1.00 0.00 H new ATOM 0 HB2 ASN A 54 1.528 4.342 -8.509 1.00 0.00 H new ATOM 0 HB3 ASN A 54 2.027 3.259 -9.794 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -1.068 4.379 -11.759 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -0.584 2.838 -11.042 1.00 0.00 H new ATOM 887 N TRP A 55 1.376 2.372 -6.520 1.00 0.00 N ATOM 888 CA TRP A 55 2.187 1.687 -5.473 1.00 0.00 C ATOM 889 C TRP A 55 1.403 0.503 -4.902 1.00 0.00 C ATOM 890 O TRP A 55 1.955 -0.529 -4.589 1.00 0.00 O ATOM 891 CB TRP A 55 2.511 2.672 -4.353 1.00 0.00 C ATOM 892 CG TRP A 55 3.325 1.982 -3.304 1.00 0.00 C ATOM 893 CD1 TRP A 55 4.677 1.973 -3.247 1.00 0.00 C ATOM 894 CD2 TRP A 55 2.862 1.194 -2.170 1.00 0.00 C ATOM 895 NE1 TRP A 55 5.072 1.235 -2.144 1.00 0.00 N ATOM 896 CE2 TRP A 55 3.989 0.733 -1.449 1.00 0.00 C ATOM 897 CE3 TRP A 55 1.585 0.843 -1.699 1.00 0.00 C ATOM 898 CZ2 TRP A 55 3.852 -0.055 -0.306 1.00 0.00 C ATOM 899 CZ3 TRP A 55 1.444 0.052 -0.548 1.00 0.00 C ATOM 900 CH2 TRP A 55 2.575 -0.397 0.148 1.00 0.00 C ATOM 0 H TRP A 55 1.027 3.295 -6.260 1.00 0.00 H new ATOM 0 HA TRP A 55 3.114 1.323 -5.917 1.00 0.00 H new ATOM 0 HB2 TRP A 55 3.060 3.525 -4.752 1.00 0.00 H new ATOM 0 HB3 TRP A 55 1.590 3.060 -3.918 1.00 0.00 H new ATOM 0 HD1 TRP A 55 5.339 2.461 -3.947 1.00 0.00 H new ATOM 0 HE1 TRP A 55 6.044 1.081 -1.877 1.00 0.00 H new ATOM 0 HE3 TRP A 55 0.706 1.184 -2.226 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 4.727 -0.399 0.225 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 0.458 -0.212 -0.196 1.00 0.00 H new ATOM 0 HH2 TRP A 55 2.460 -1.006 1.033 1.00 0.00 H new ATOM 911 N PHE A 56 0.121 0.663 -4.733 1.00 0.00 N ATOM 912 CA PHE A 56 -0.705 -0.434 -4.154 1.00 0.00 C ATOM 913 C PHE A 56 -0.610 -1.682 -5.041 1.00 0.00 C ATOM 914 O PHE A 56 -0.424 -2.783 -4.562 1.00 0.00 O ATOM 915 CB PHE A 56 -2.162 0.026 -4.080 1.00 0.00 C ATOM 916 CG PHE A 56 -2.970 -0.974 -3.286 1.00 0.00 C ATOM 917 CD1 PHE A 56 -2.754 -1.099 -1.909 1.00 0.00 C ATOM 918 CD2 PHE A 56 -3.932 -1.773 -3.919 1.00 0.00 C ATOM 919 CE1 PHE A 56 -3.497 -2.020 -1.164 1.00 0.00 C ATOM 920 CE2 PHE A 56 -4.676 -2.696 -3.172 1.00 0.00 C ATOM 921 CZ PHE A 56 -4.458 -2.819 -1.794 1.00 0.00 C ATOM 0 H PHE A 56 -0.394 1.511 -4.972 1.00 0.00 H new ATOM 0 HA PHE A 56 -0.340 -0.677 -3.156 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -2.220 1.009 -3.612 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -2.574 0.126 -5.084 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -2.013 -0.483 -1.421 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -4.100 -1.677 -4.982 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -3.329 -2.115 -0.101 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -5.417 -3.312 -3.659 1.00 0.00 H new ATOM 0 HZ PHE A 56 -5.031 -3.530 -1.218 1.00 0.00 H new ATOM 931 N ILE A 57 -0.745 -1.521 -6.327 1.00 0.00 N ATOM 932 CA ILE A 57 -0.668 -2.702 -7.237 1.00 0.00 C ATOM 933 C ILE A 57 0.740 -3.308 -7.182 1.00 0.00 C ATOM 934 O ILE A 57 0.916 -4.506 -7.091 1.00 0.00 O ATOM 935 CB ILE A 57 -0.963 -2.242 -8.667 1.00 0.00 C ATOM 936 CG1 ILE A 57 -2.424 -1.795 -8.776 1.00 0.00 C ATOM 937 CG2 ILE A 57 -0.707 -3.394 -9.644 1.00 0.00 C ATOM 938 CD1 ILE A 57 -2.638 -1.076 -10.112 1.00 0.00 C ATOM 0 H ILE A 57 -0.905 -0.626 -6.789 1.00 0.00 H new ATOM 0 HA ILE A 57 -1.394 -3.453 -6.926 1.00 0.00 H new ATOM 0 HB ILE A 57 -0.310 -1.405 -8.915 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -3.086 -2.658 -8.705 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -2.675 -1.131 -7.949 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -0.918 -3.063 -10.661 1.00 0.00 H new ATOM 0 HG22 ILE A 57 0.335 -3.706 -9.573 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -1.355 -4.234 -9.394 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -3.677 -0.757 -10.191 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -1.986 -0.204 -10.164 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -2.403 -1.755 -10.932 1.00 0.00 H new ATOM 950 N ASN A 58 1.742 -2.479 -7.246 1.00 0.00 N ATOM 951 CA ASN A 58 3.146 -2.981 -7.207 1.00 0.00 C ATOM 952 C ASN A 58 3.452 -3.564 -5.824 1.00 0.00 C ATOM 953 O ASN A 58 4.118 -4.572 -5.687 1.00 0.00 O ATOM 954 CB ASN A 58 4.090 -1.816 -7.492 1.00 0.00 C ATOM 955 CG ASN A 58 5.540 -2.297 -7.445 1.00 0.00 C ATOM 956 OD1 ASN A 58 5.846 -3.391 -7.876 1.00 0.00 O ATOM 957 ND2 ASN A 58 6.455 -1.517 -6.936 1.00 0.00 N ATOM 0 H ASN A 58 1.650 -1.466 -7.324 1.00 0.00 H new ATOM 0 HA ASN A 58 3.280 -3.762 -7.956 1.00 0.00 H new ATOM 0 HB2 ASN A 58 3.871 -1.390 -8.471 1.00 0.00 H new ATOM 0 HB3 ASN A 58 3.936 -1.024 -6.759 1.00 0.00 H new ATOM 0 HD21 ASN A 58 7.426 -1.826 -6.900 1.00 0.00 H new ATOM 0 HD22 ASN A 58 6.198 -0.599 -6.574 1.00 0.00 H new ATOM 964 N ALA A 59 2.982 -2.916 -4.797 1.00 0.00 N ATOM 965 CA ALA A 59 3.245 -3.393 -3.409 1.00 0.00 C ATOM 966 C ALA A 59 2.680 -4.802 -3.214 1.00 0.00 C ATOM 967 O ALA A 59 3.335 -5.674 -2.681 1.00 0.00 O ATOM 968 CB ALA A 59 2.564 -2.446 -2.425 1.00 0.00 C ATOM 0 H ALA A 59 2.420 -2.067 -4.859 1.00 0.00 H new ATOM 0 HA ALA A 59 4.321 -3.415 -3.237 1.00 0.00 H new ATOM 0 HB1 ALA A 59 2.750 -2.785 -1.406 1.00 0.00 H new ATOM 0 HB2 ALA A 59 2.965 -1.440 -2.551 1.00 0.00 H new ATOM 0 HB3 ALA A 59 1.491 -2.435 -2.614 1.00 0.00 H new ATOM 974 N ARG A 60 1.466 -5.027 -3.624 1.00 0.00 N ATOM 975 CA ARG A 60 0.861 -6.377 -3.446 1.00 0.00 C ATOM 976 C ARG A 60 1.651 -7.421 -4.239 1.00 0.00 C ATOM 977 O ARG A 60 1.943 -8.495 -3.754 1.00 0.00 O ATOM 978 CB ARG A 60 -0.579 -6.349 -3.958 1.00 0.00 C ATOM 979 CG ARG A 60 -1.460 -5.540 -3.003 1.00 0.00 C ATOM 980 CD ARG A 60 -2.891 -5.481 -3.550 1.00 0.00 C ATOM 981 NE ARG A 60 -2.916 -4.648 -4.787 1.00 0.00 N ATOM 982 CZ ARG A 60 -4.006 -4.554 -5.502 1.00 0.00 C ATOM 983 NH1 ARG A 60 -5.086 -5.188 -5.141 1.00 0.00 N ATOM 984 NH2 ARG A 60 -4.012 -3.822 -6.582 1.00 0.00 N ATOM 0 H ARG A 60 0.865 -4.337 -4.074 1.00 0.00 H new ATOM 0 HA ARG A 60 0.883 -6.640 -2.389 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -0.610 -5.909 -4.955 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -0.962 -7.366 -4.046 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -1.457 -5.997 -2.013 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -1.061 -4.532 -2.890 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -3.250 -6.487 -3.769 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -3.561 -5.059 -2.801 1.00 0.00 H new ATOM 0 HE ARG A 60 -2.076 -4.148 -5.077 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -5.083 -5.761 -4.297 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -5.934 -5.111 -5.702 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -3.168 -3.325 -6.866 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -4.861 -3.747 -7.142 1.00 0.00 H new ATOM 998 N ARG A 61 1.992 -7.116 -5.456 1.00 0.00 N ATOM 999 CA ARG A 61 2.747 -8.092 -6.291 1.00 0.00 C ATOM 1000 C ARG A 61 4.156 -8.288 -5.729 1.00 0.00 C ATOM 1001 O ARG A 61 4.839 -9.236 -6.067 1.00 0.00 O ATOM 1002 CB ARG A 61 2.841 -7.557 -7.718 1.00 0.00 C ATOM 1003 CG ARG A 61 1.451 -7.567 -8.362 1.00 0.00 C ATOM 1004 CD ARG A 61 1.546 -7.008 -9.785 1.00 0.00 C ATOM 1005 NE ARG A 61 0.187 -6.961 -10.402 1.00 0.00 N ATOM 1006 CZ ARG A 61 -0.290 -7.996 -11.045 1.00 0.00 C ATOM 1007 NH1 ARG A 61 0.407 -9.094 -11.139 1.00 0.00 N ATOM 1008 NH2 ARG A 61 -1.473 -7.927 -11.592 1.00 0.00 N ATOM 0 H ARG A 61 1.780 -6.229 -5.913 1.00 0.00 H new ATOM 0 HA ARG A 61 2.227 -9.050 -6.284 1.00 0.00 H new ATOM 0 HB2 ARG A 61 3.243 -6.544 -7.712 1.00 0.00 H new ATOM 0 HB3 ARG A 61 3.528 -8.169 -8.302 1.00 0.00 H new ATOM 0 HG2 ARG A 61 1.055 -8.582 -8.384 1.00 0.00 H new ATOM 0 HG3 ARG A 61 0.759 -6.968 -7.770 1.00 0.00 H new ATOM 0 HD2 ARG A 61 1.981 -6.009 -9.765 1.00 0.00 H new ATOM 0 HD3 ARG A 61 2.207 -7.631 -10.387 1.00 0.00 H new ATOM 0 HE ARG A 61 -0.375 -6.114 -10.321 1.00 0.00 H new ATOM 0 HH11 ARG A 61 1.331 -9.150 -10.710 1.00 0.00 H new ATOM 0 HH12 ARG A 61 0.029 -9.897 -11.642 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -2.020 -7.070 -11.517 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -1.850 -8.730 -12.095 1.00 0.00 H new ATOM 1022 N ARG A 62 4.603 -7.390 -4.892 1.00 0.00 N ATOM 1023 CA ARG A 62 5.980 -7.507 -4.313 1.00 0.00 C ATOM 1024 C ARG A 62 5.901 -7.986 -2.860 1.00 0.00 C ATOM 1025 O ARG A 62 6.859 -8.499 -2.312 1.00 0.00 O ATOM 1026 CB ARG A 62 6.649 -6.128 -4.354 1.00 0.00 C ATOM 1027 CG ARG A 62 8.176 -6.274 -4.212 1.00 0.00 C ATOM 1028 CD ARG A 62 8.812 -6.486 -5.592 1.00 0.00 C ATOM 1029 NE ARG A 62 10.281 -6.691 -5.441 1.00 0.00 N ATOM 1030 CZ ARG A 62 10.764 -7.887 -5.234 1.00 0.00 C ATOM 1031 NH1 ARG A 62 9.964 -8.914 -5.134 1.00 0.00 N ATOM 1032 NH2 ARG A 62 12.052 -8.051 -5.125 1.00 0.00 N ATOM 0 H ARG A 62 4.074 -6.576 -4.581 1.00 0.00 H new ATOM 0 HA ARG A 62 6.558 -8.227 -4.892 1.00 0.00 H new ATOM 0 HB2 ARG A 62 6.410 -5.627 -5.292 1.00 0.00 H new ATOM 0 HB3 ARG A 62 6.260 -5.503 -3.551 1.00 0.00 H new ATOM 0 HG2 ARG A 62 8.593 -5.383 -3.743 1.00 0.00 H new ATOM 0 HG3 ARG A 62 8.410 -7.116 -3.561 1.00 0.00 H new ATOM 0 HD2 ARG A 62 8.363 -7.350 -6.082 1.00 0.00 H new ATOM 0 HD3 ARG A 62 8.619 -5.623 -6.229 1.00 0.00 H new ATOM 0 HE ARG A 62 10.913 -5.892 -5.500 1.00 0.00 H new ATOM 0 HH11 ARG A 62 8.956 -8.785 -5.218 1.00 0.00 H new ATOM 0 HH12 ARG A 62 10.347 -9.845 -4.972 1.00 0.00 H new ATOM 0 HH21 ARG A 62 12.677 -7.248 -5.201 1.00 0.00 H new ATOM 0 HH22 ARG A 62 12.436 -8.982 -4.963 1.00 0.00 H new ATOM 1046 N LEU A 63 4.778 -7.798 -2.222 1.00 0.00 N ATOM 1047 CA LEU A 63 4.642 -8.212 -0.790 1.00 0.00 C ATOM 1048 C LEU A 63 4.008 -9.597 -0.678 1.00 0.00 C ATOM 1049 O LEU A 63 4.632 -10.529 -0.223 1.00 0.00 O ATOM 1050 CB LEU A 63 3.750 -7.208 -0.062 1.00 0.00 C ATOM 1051 CG LEU A 63 4.483 -5.868 0.098 1.00 0.00 C ATOM 1052 CD1 LEU A 63 3.495 -4.806 0.596 1.00 0.00 C ATOM 1053 CD2 LEU A 63 5.646 -6.004 1.104 1.00 0.00 C ATOM 0 H LEU A 63 3.944 -7.374 -2.629 1.00 0.00 H new ATOM 0 HA LEU A 63 5.636 -8.242 -0.345 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.825 -7.061 -0.619 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.473 -7.599 0.917 1.00 0.00 H new ATOM 0 HG LEU A 63 4.891 -5.571 -0.868 1.00 0.00 H new ATOM 0 HD11 LEU A 63 4.012 -3.853 0.711 1.00 0.00 H new ATOM 0 HD12 LEU A 63 2.686 -4.695 -0.126 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.084 -5.114 1.557 1.00 0.00 H new ATOM 0 HD21 LEU A 63 6.154 -5.045 1.205 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.254 -6.311 2.074 1.00 0.00 H new ATOM 0 HD23 LEU A 63 6.352 -6.753 0.745 1.00 0.00 H new ATOM 1065 N LEU A 64 2.766 -9.724 -1.065 1.00 0.00 N ATOM 1066 CA LEU A 64 2.059 -11.044 -0.959 1.00 0.00 C ATOM 1067 C LEU A 64 3.016 -12.218 -1.261 1.00 0.00 C ATOM 1068 O LEU A 64 3.272 -13.041 -0.405 1.00 0.00 O ATOM 1069 CB LEU A 64 0.870 -11.068 -1.947 1.00 0.00 C ATOM 1070 CG LEU A 64 -0.442 -10.741 -1.225 1.00 0.00 C ATOM 1071 CD1 LEU A 64 -0.392 -9.303 -0.710 1.00 0.00 C ATOM 1072 CD2 LEU A 64 -1.602 -10.894 -2.210 1.00 0.00 C ATOM 0 H LEU A 64 2.203 -8.967 -1.453 1.00 0.00 H new ATOM 0 HA LEU A 64 1.696 -11.161 0.062 1.00 0.00 H new ATOM 0 HB2 LEU A 64 1.040 -10.347 -2.746 1.00 0.00 H new ATOM 0 HB3 LEU A 64 0.799 -12.050 -2.414 1.00 0.00 H new ATOM 0 HG LEU A 64 -0.583 -11.420 -0.384 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.324 -9.068 -0.196 1.00 0.00 H new ATOM 0 HD12 LEU A 64 0.442 -9.194 -0.017 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -0.258 -8.620 -1.549 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -2.540 -10.663 -1.706 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.462 -10.209 -3.046 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -1.632 -11.919 -2.581 1.00 0.00 H new ATOM 1084 N PRO A 65 3.523 -12.314 -2.461 1.00 0.00 N ATOM 1085 CA PRO A 65 4.443 -13.429 -2.843 1.00 0.00 C ATOM 1086 C PRO A 65 5.670 -13.510 -1.929 1.00 0.00 C ATOM 1087 O PRO A 65 6.043 -14.565 -1.456 1.00 0.00 O ATOM 1088 CB PRO A 65 4.858 -13.091 -4.294 1.00 0.00 C ATOM 1089 CG PRO A 65 4.504 -11.646 -4.484 1.00 0.00 C ATOM 1090 CD PRO A 65 3.303 -11.384 -3.579 1.00 0.00 C ATOM 0 HA PRO A 65 3.959 -14.401 -2.751 1.00 0.00 H new ATOM 0 HB2 PRO A 65 5.924 -13.257 -4.446 1.00 0.00 H new ATOM 0 HB3 PRO A 65 4.331 -13.722 -5.010 1.00 0.00 H new ATOM 0 HG2 PRO A 65 5.341 -11.001 -4.218 1.00 0.00 H new ATOM 0 HG3 PRO A 65 4.260 -11.438 -5.526 1.00 0.00 H new ATOM 0 HD2 PRO A 65 3.270 -10.348 -3.242 1.00 0.00 H new ATOM 0 HD3 PRO A 65 2.361 -11.583 -4.090 1.00 0.00 H new