USER MOD reduce.3.24.130724 H: found=0, std=0, add=458, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 460 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 138:sc= -3.07! (180deg=-5.99!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 180:sc= -0.0196 USER MOD Single : A 41 LYS NZ :NH3+ 142:sc= -3.25! (180deg=-5.57!) USER MOD Single : A 43 LYS NZ :NH3+ -166:sc= -0.0695 (180deg=-0.32) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -4.08! K(o=-4.1!,f=-0.83) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -4.48! C(o=-4.5!,f=-2!) USER MOD Single : A 60 CYS SG : rot 50:sc= -0.228 USER MOD Single : A 69 GLN : amide:sc= -1.77! K(o=-1.8!,f=-0.74) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= -0.0208 X(o=-0.021,f=-0.018) USER MOD Single : B 5 GLN : amide:sc= -4.48! C(o=-4.5!,f=-3.9!) USER MOD Single : B 6 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 179 N GLU A 19 -10.636 -6.034 1.591 1.00 0.00 N ATOM 180 CA GLU A 19 -9.995 -7.312 1.297 1.00 0.00 C ATOM 181 C GLU A 19 -8.475 -7.201 1.377 1.00 0.00 C ATOM 182 O GLU A 19 -7.885 -6.242 0.879 1.00 0.00 O ATOM 183 CB GLU A 19 -10.409 -7.811 -0.079 1.00 0.00 C ATOM 184 CG GLU A 19 -9.902 -9.207 -0.381 1.00 0.00 C ATOM 185 CD GLU A 19 -10.425 -10.257 0.586 1.00 0.00 C ATOM 186 OE1 GLU A 19 -11.250 -9.909 1.457 1.00 0.00 O ATOM 187 OE2 GLU A 19 -10.013 -11.429 0.465 1.00 0.00 O ATOM 0 HA GLU A 19 -10.324 -8.029 2.049 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -11.497 -7.802 -0.150 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -10.034 -7.123 -0.837 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -10.192 -9.480 -1.396 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -8.812 -9.205 -0.351 1.00 0.00 H new ATOM 194 N GLU A 20 -7.847 -8.189 2.009 1.00 0.00 N ATOM 195 CA GLU A 20 -6.395 -8.211 2.159 1.00 0.00 C ATOM 196 C GLU A 20 -5.708 -8.669 0.874 1.00 0.00 C ATOM 197 O GLU A 20 -5.269 -9.815 0.771 1.00 0.00 O ATOM 198 CB GLU A 20 -5.991 -9.132 3.313 1.00 0.00 C ATOM 199 CG GLU A 20 -6.624 -8.759 4.643 1.00 0.00 C ATOM 200 CD GLU A 20 -6.221 -9.695 5.767 1.00 0.00 C ATOM 201 OE1 GLU A 20 -5.450 -10.643 5.505 1.00 0.00 O ATOM 202 OE2 GLU A 20 -6.679 -9.482 6.909 1.00 0.00 O ATOM 0 H GLU A 20 -8.324 -8.988 2.427 1.00 0.00 H new ATOM 0 HA GLU A 20 -6.072 -7.193 2.377 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -6.269 -10.156 3.063 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -4.906 -9.113 3.419 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -6.337 -7.740 4.904 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -7.709 -8.768 4.539 1.00 0.00 H new ATOM 209 N TYR A 21 -5.607 -7.769 -0.100 1.00 0.00 N ATOM 210 CA TYR A 21 -4.961 -8.092 -1.369 1.00 0.00 C ATOM 211 C TYR A 21 -3.500 -8.475 -1.149 1.00 0.00 C ATOM 212 O TYR A 21 -2.821 -7.902 -0.301 1.00 0.00 O ATOM 213 CB TYR A 21 -5.057 -6.914 -2.338 1.00 0.00 C ATOM 214 CG TYR A 21 -6.416 -6.766 -2.989 1.00 0.00 C ATOM 215 CD1 TYR A 21 -7.575 -6.692 -2.226 1.00 0.00 C ATOM 216 CD2 TYR A 21 -6.538 -6.706 -4.372 1.00 0.00 C ATOM 217 CE1 TYR A 21 -8.815 -6.562 -2.823 1.00 0.00 C ATOM 218 CE2 TYR A 21 -7.774 -6.575 -4.976 1.00 0.00 C ATOM 219 CZ TYR A 21 -8.909 -6.503 -4.197 1.00 0.00 C ATOM 220 OH TYR A 21 -10.142 -6.373 -4.794 1.00 0.00 O ATOM 0 H TYR A 21 -5.962 -6.815 -0.036 1.00 0.00 H new ATOM 0 HA TYR A 21 -5.481 -8.945 -1.805 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -4.819 -5.995 -1.802 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -4.303 -7.034 -3.116 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -7.506 -6.737 -1.149 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -5.651 -6.763 -4.986 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -9.706 -6.507 -2.216 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -7.850 -6.529 -6.052 1.00 0.00 H new ATOM 0 HH TYR A 21 -10.033 -6.345 -5.768 1.00 0.00 H new ATOM 230 N VAL A 22 -3.033 -9.463 -1.905 1.00 0.00 N ATOM 231 CA VAL A 22 -1.661 -9.948 -1.785 1.00 0.00 C ATOM 232 C VAL A 22 -0.635 -8.836 -1.973 1.00 0.00 C ATOM 233 O VAL A 22 0.341 -8.756 -1.227 1.00 0.00 O ATOM 234 CB VAL A 22 -1.375 -11.074 -2.796 1.00 0.00 C ATOM 235 CG1 VAL A 22 0.031 -11.627 -2.606 1.00 0.00 C ATOM 236 CG2 VAL A 22 -2.414 -12.179 -2.668 1.00 0.00 C ATOM 0 H VAL A 22 -3.587 -9.947 -2.612 1.00 0.00 H new ATOM 0 HA VAL A 22 -1.566 -10.337 -0.771 1.00 0.00 H new ATOM 0 HB VAL A 22 -1.439 -10.658 -3.801 1.00 0.00 H new ATOM 0 HG11 VAL A 22 0.211 -12.421 -3.331 1.00 0.00 H new ATOM 0 HG12 VAL A 22 0.759 -10.829 -2.754 1.00 0.00 H new ATOM 0 HG13 VAL A 22 0.131 -12.027 -1.597 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.198 -12.967 -3.389 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -2.384 -12.592 -1.660 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.406 -11.771 -2.863 1.00 0.00 H new ATOM 246 N VAL A 23 -0.854 -7.986 -2.968 1.00 0.00 N ATOM 247 CA VAL A 23 0.061 -6.882 -3.248 1.00 0.00 C ATOM 248 C VAL A 23 1.410 -7.400 -3.741 1.00 0.00 C ATOM 249 O VAL A 23 1.891 -8.439 -3.288 1.00 0.00 O ATOM 250 CB VAL A 23 0.284 -6.003 -2.005 1.00 0.00 C ATOM 251 CG1 VAL A 23 1.080 -4.760 -2.365 1.00 0.00 C ATOM 252 CG2 VAL A 23 -1.048 -5.639 -1.371 1.00 0.00 C ATOM 0 H VAL A 23 -1.656 -8.038 -3.596 1.00 0.00 H new ATOM 0 HA VAL A 23 -0.403 -6.278 -4.028 1.00 0.00 H new ATOM 0 HB VAL A 23 0.863 -6.569 -1.275 1.00 0.00 H new ATOM 0 HG11 VAL A 23 1.227 -4.151 -1.473 1.00 0.00 H new ATOM 0 HG12 VAL A 23 2.049 -5.053 -2.769 1.00 0.00 H new ATOM 0 HG13 VAL A 23 0.535 -4.183 -3.112 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.875 -5.017 -0.493 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -1.655 -5.090 -2.090 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.570 -6.549 -1.074 1.00 0.00 H new ATOM 262 N GLU A 24 2.008 -6.680 -4.684 1.00 0.00 N ATOM 263 CA GLU A 24 3.289 -7.081 -5.251 1.00 0.00 C ATOM 264 C GLU A 24 4.472 -6.397 -4.563 1.00 0.00 C ATOM 265 O GLU A 24 5.416 -7.069 -4.146 1.00 0.00 O ATOM 266 CB GLU A 24 3.321 -6.780 -6.750 1.00 0.00 C ATOM 267 CG GLU A 24 4.595 -7.247 -7.436 1.00 0.00 C ATOM 268 CD GLU A 24 4.595 -6.964 -8.925 1.00 0.00 C ATOM 269 OE1 GLU A 24 3.695 -7.474 -9.626 1.00 0.00 O ATOM 270 OE2 GLU A 24 5.493 -6.233 -9.391 1.00 0.00 O ATOM 0 H GLU A 24 1.626 -5.817 -5.071 1.00 0.00 H new ATOM 0 HA GLU A 24 3.388 -8.154 -5.086 1.00 0.00 H new ATOM 0 HB2 GLU A 24 2.465 -7.258 -7.227 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.210 -5.706 -6.899 1.00 0.00 H new ATOM 0 HG2 GLU A 24 5.452 -6.754 -6.977 1.00 0.00 H new ATOM 0 HG3 GLU A 24 4.719 -8.318 -7.274 1.00 0.00 H new ATOM 277 N LYS A 25 4.439 -5.065 -4.468 1.00 0.00 N ATOM 278 CA LYS A 25 5.546 -4.330 -3.853 1.00 0.00 C ATOM 279 C LYS A 25 5.266 -2.841 -3.689 1.00 0.00 C ATOM 280 O LYS A 25 4.560 -2.227 -4.487 1.00 0.00 O ATOM 281 CB LYS A 25 6.804 -4.503 -4.692 1.00 0.00 C ATOM 282 CG LYS A 25 6.539 -4.390 -6.177 1.00 0.00 C ATOM 283 CD LYS A 25 7.794 -4.628 -7.007 1.00 0.00 C ATOM 284 CE LYS A 25 8.816 -3.511 -6.836 1.00 0.00 C ATOM 285 NZ LYS A 25 9.396 -3.479 -5.464 1.00 0.00 N ATOM 0 H LYS A 25 3.672 -4.482 -4.803 1.00 0.00 H new ATOM 0 HA LYS A 25 5.677 -4.748 -2.855 1.00 0.00 H new ATOM 0 HB2 LYS A 25 7.536 -3.750 -4.400 1.00 0.00 H new ATOM 0 HB3 LYS A 25 7.246 -5.477 -4.480 1.00 0.00 H new ATOM 0 HG2 LYS A 25 5.774 -5.112 -6.463 1.00 0.00 H new ATOM 0 HG3 LYS A 25 6.142 -3.400 -6.399 1.00 0.00 H new ATOM 0 HD2 LYS A 25 8.244 -5.578 -6.718 1.00 0.00 H new ATOM 0 HD3 LYS A 25 7.522 -4.711 -8.059 1.00 0.00 H new ATOM 0 HE2 LYS A 25 9.617 -3.640 -7.564 1.00 0.00 H new ATOM 0 HE3 LYS A 25 8.343 -2.553 -7.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 10.420 -3.308 -5.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 8.949 -2.717 -4.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 9.225 -4.390 -4.993 1.00 0.00 H new ATOM 299 N VAL A 26 5.865 -2.277 -2.644 1.00 0.00 N ATOM 300 CA VAL A 26 5.746 -0.859 -2.337 1.00 0.00 C ATOM 301 C VAL A 26 6.540 -0.021 -3.344 1.00 0.00 C ATOM 302 O VAL A 26 7.609 -0.433 -3.796 1.00 0.00 O ATOM 303 CB VAL A 26 6.248 -0.580 -0.900 1.00 0.00 C ATOM 304 CG1 VAL A 26 7.231 0.575 -0.868 1.00 0.00 C ATOM 305 CG2 VAL A 26 5.083 -0.308 0.034 1.00 0.00 C ATOM 0 H VAL A 26 6.448 -2.794 -1.986 1.00 0.00 H new ATOM 0 HA VAL A 26 4.695 -0.578 -2.406 1.00 0.00 H new ATOM 0 HB VAL A 26 6.770 -1.473 -0.557 1.00 0.00 H new ATOM 0 HG11 VAL A 26 7.562 0.742 0.157 1.00 0.00 H new ATOM 0 HG12 VAL A 26 8.092 0.338 -1.493 1.00 0.00 H new ATOM 0 HG13 VAL A 26 6.746 1.476 -1.244 1.00 0.00 H new ATOM 0 HG21 VAL A 26 5.459 -0.115 1.038 1.00 0.00 H new ATOM 0 HG22 VAL A 26 4.529 0.561 -0.319 1.00 0.00 H new ATOM 0 HG23 VAL A 26 4.423 -1.175 0.055 1.00 0.00 H new ATOM 315 N LEU A 27 6.016 1.152 -3.692 1.00 0.00 N ATOM 316 CA LEU A 27 6.684 2.034 -4.642 1.00 0.00 C ATOM 317 C LEU A 27 7.258 3.268 -3.952 1.00 0.00 C ATOM 318 O LEU A 27 8.353 3.718 -4.295 1.00 0.00 O ATOM 319 CB LEU A 27 5.727 2.471 -5.758 1.00 0.00 C ATOM 320 CG LEU A 27 5.274 1.367 -6.723 1.00 0.00 C ATOM 321 CD1 LEU A 27 6.471 0.645 -7.323 1.00 0.00 C ATOM 322 CD2 LEU A 27 4.349 0.386 -6.024 1.00 0.00 C ATOM 0 H LEU A 27 5.133 1.512 -3.331 1.00 0.00 H new ATOM 0 HA LEU A 27 7.505 1.466 -5.079 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.842 2.911 -5.299 1.00 0.00 H new ATOM 0 HB3 LEU A 27 6.211 3.257 -6.338 1.00 0.00 H new ATOM 0 HG LEU A 27 4.720 1.837 -7.536 1.00 0.00 H new ATOM 0 HD11 LEU A 27 6.123 -0.133 -8.003 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.088 1.357 -7.871 1.00 0.00 H new ATOM 0 HD13 LEU A 27 7.060 0.192 -6.525 1.00 0.00 H new ATOM 0 HD21 LEU A 27 4.041 -0.388 -6.727 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.872 -0.074 -5.186 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.469 0.914 -5.657 1.00 0.00 H new ATOM 334 N ASP A 28 6.519 3.825 -2.990 1.00 0.00 N ATOM 335 CA ASP A 28 6.986 5.018 -2.285 1.00 0.00 C ATOM 336 C ASP A 28 6.085 5.350 -1.089 1.00 0.00 C ATOM 337 O ASP A 28 5.553 4.451 -0.438 1.00 0.00 O ATOM 338 CB ASP A 28 7.045 6.200 -3.264 1.00 0.00 C ATOM 339 CG ASP A 28 7.887 7.356 -2.755 1.00 0.00 C ATOM 340 OD1 ASP A 28 8.424 7.256 -1.632 1.00 0.00 O ATOM 341 OD2 ASP A 28 8.007 8.366 -3.482 1.00 0.00 O ATOM 0 H ASP A 28 5.610 3.476 -2.686 1.00 0.00 H new ATOM 0 HA ASP A 28 7.985 4.822 -1.894 1.00 0.00 H new ATOM 0 HB2 ASP A 28 7.450 5.855 -4.216 1.00 0.00 H new ATOM 0 HB3 ASP A 28 6.032 6.554 -3.458 1.00 0.00 H new ATOM 346 N ARG A 29 5.925 6.644 -0.802 1.00 0.00 N ATOM 347 CA ARG A 29 5.104 7.098 0.318 1.00 0.00 C ATOM 348 C ARG A 29 4.883 8.607 0.234 1.00 0.00 C ATOM 349 O ARG A 29 5.790 9.351 -0.140 1.00 0.00 O ATOM 350 CB ARG A 29 5.784 6.751 1.644 1.00 0.00 C ATOM 351 CG ARG A 29 7.165 7.370 1.789 1.00 0.00 C ATOM 352 CD ARG A 29 7.807 7.008 3.118 1.00 0.00 C ATOM 353 NE ARG A 29 9.147 7.578 3.251 1.00 0.00 N ATOM 354 CZ ARG A 29 9.403 8.885 3.247 1.00 0.00 C ATOM 355 NH1 ARG A 29 8.413 9.761 3.127 1.00 0.00 N ATOM 356 NH2 ARG A 29 10.651 9.317 3.365 1.00 0.00 N ATOM 0 H ARG A 29 6.357 7.399 -1.335 1.00 0.00 H new ATOM 0 HA ARG A 29 4.139 6.594 0.268 1.00 0.00 H new ATOM 0 HB2 ARG A 29 5.154 7.088 2.467 1.00 0.00 H new ATOM 0 HB3 ARG A 29 5.868 5.668 1.729 1.00 0.00 H new ATOM 0 HG2 ARG A 29 7.803 7.031 0.973 1.00 0.00 H new ATOM 0 HG3 ARG A 29 7.088 8.454 1.705 1.00 0.00 H new ATOM 0 HD2 ARG A 29 7.178 7.365 3.934 1.00 0.00 H new ATOM 0 HD3 ARG A 29 7.863 5.923 3.210 1.00 0.00 H new ATOM 0 HE ARG A 29 9.933 6.936 3.353 1.00 0.00 H new ATOM 0 HH11 ARG A 29 7.451 9.434 3.037 1.00 0.00 H new ATOM 0 HH12 ARG A 29 8.614 10.761 3.125 1.00 0.00 H new ATOM 0 HH21 ARG A 29 11.415 8.648 3.459 1.00 0.00 H new ATOM 0 HH22 ARG A 29 10.847 10.318 3.362 1.00 0.00 H new ATOM 370 N ARG A 30 3.678 9.057 0.574 1.00 0.00 N ATOM 371 CA ARG A 30 3.365 10.483 0.522 1.00 0.00 C ATOM 372 C ARG A 30 2.226 10.856 1.466 1.00 0.00 C ATOM 373 O ARG A 30 1.213 10.161 1.540 1.00 0.00 O ATOM 374 CB ARG A 30 3.003 10.891 -0.907 1.00 0.00 C ATOM 375 CG ARG A 30 1.815 10.130 -1.471 1.00 0.00 C ATOM 376 CD ARG A 30 1.525 10.507 -2.920 1.00 0.00 C ATOM 377 NE ARG A 30 1.010 11.869 -3.055 1.00 0.00 N ATOM 378 CZ ARG A 30 1.772 12.962 -3.073 1.00 0.00 C ATOM 379 NH1 ARG A 30 3.093 12.862 -3.046 1.00 0.00 N ATOM 380 NH2 ARG A 30 1.206 14.160 -3.142 1.00 0.00 N ATOM 0 H ARG A 30 2.910 8.463 0.885 1.00 0.00 H new ATOM 0 HA ARG A 30 4.256 11.021 0.846 1.00 0.00 H new ATOM 0 HB2 ARG A 30 2.784 11.959 -0.927 1.00 0.00 H new ATOM 0 HB3 ARG A 30 3.867 10.731 -1.552 1.00 0.00 H new ATOM 0 HG2 ARG A 30 2.008 9.059 -1.408 1.00 0.00 H new ATOM 0 HG3 ARG A 30 0.934 10.331 -0.862 1.00 0.00 H new ATOM 0 HD2 ARG A 30 2.438 10.408 -3.507 1.00 0.00 H new ATOM 0 HD3 ARG A 30 0.801 9.806 -3.336 1.00 0.00 H new ATOM 0 HE ARG A 30 0.001 11.990 -3.141 1.00 0.00 H new ATOM 0 HH11 ARG A 30 3.534 11.943 -3.011 1.00 0.00 H new ATOM 0 HH12 ARG A 30 3.669 13.704 -3.060 1.00 0.00 H new ATOM 0 HH21 ARG A 30 0.190 14.243 -3.181 1.00 0.00 H new ATOM 0 HH22 ARG A 30 1.787 14.998 -3.156 1.00 0.00 H new ATOM 394 N VAL A 31 2.392 11.973 2.168 1.00 0.00 N ATOM 395 CA VAL A 31 1.372 12.462 3.088 1.00 0.00 C ATOM 396 C VAL A 31 0.495 13.506 2.399 1.00 0.00 C ATOM 397 O VAL A 31 1.006 14.418 1.749 1.00 0.00 O ATOM 398 CB VAL A 31 2.004 13.080 4.351 1.00 0.00 C ATOM 399 CG1 VAL A 31 0.928 13.567 5.310 1.00 0.00 C ATOM 400 CG2 VAL A 31 2.921 12.077 5.034 1.00 0.00 C ATOM 0 H VAL A 31 3.226 12.558 2.116 1.00 0.00 H new ATOM 0 HA VAL A 31 0.762 11.609 3.387 1.00 0.00 H new ATOM 0 HB VAL A 31 2.602 13.940 4.049 1.00 0.00 H new ATOM 0 HG11 VAL A 31 1.397 13.999 6.194 1.00 0.00 H new ATOM 0 HG12 VAL A 31 0.317 14.323 4.817 1.00 0.00 H new ATOM 0 HG13 VAL A 31 0.298 12.728 5.607 1.00 0.00 H new ATOM 0 HG21 VAL A 31 3.358 12.531 5.923 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.347 11.196 5.321 1.00 0.00 H new ATOM 0 HG23 VAL A 31 3.716 11.785 4.348 1.00 0.00 H new ATOM 410 N VAL A 32 -0.821 13.372 2.538 1.00 0.00 N ATOM 411 CA VAL A 32 -1.748 14.315 1.914 1.00 0.00 C ATOM 412 C VAL A 32 -2.135 15.428 2.879 1.00 0.00 C ATOM 413 O VAL A 32 -2.423 16.552 2.470 1.00 0.00 O ATOM 414 CB VAL A 32 -3.027 13.615 1.413 1.00 0.00 C ATOM 415 CG1 VAL A 32 -2.685 12.545 0.388 1.00 0.00 C ATOM 416 CG2 VAL A 32 -3.808 13.020 2.576 1.00 0.00 C ATOM 0 H VAL A 32 -1.268 12.627 3.072 1.00 0.00 H new ATOM 0 HA VAL A 32 -1.225 14.743 1.059 1.00 0.00 H new ATOM 0 HB VAL A 32 -3.658 14.361 0.930 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -3.601 12.062 0.046 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -2.178 13.003 -0.461 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -2.031 11.801 0.843 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -4.706 12.531 2.199 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -3.188 12.289 3.095 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -4.090 13.813 3.269 1.00 0.00 H new ATOM 426 N LYS A 33 -2.147 15.097 4.162 1.00 0.00 N ATOM 427 CA LYS A 33 -2.508 16.050 5.203 1.00 0.00 C ATOM 428 C LYS A 33 -1.974 15.584 6.550 1.00 0.00 C ATOM 429 O LYS A 33 -1.643 16.391 7.417 1.00 0.00 O ATOM 430 CB LYS A 33 -4.029 16.204 5.267 1.00 0.00 C ATOM 431 CG LYS A 33 -4.763 14.892 5.505 1.00 0.00 C ATOM 432 CD LYS A 33 -6.271 15.090 5.514 1.00 0.00 C ATOM 433 CE LYS A 33 -7.005 13.775 5.735 1.00 0.00 C ATOM 434 NZ LYS A 33 -8.483 13.954 5.721 1.00 0.00 N ATOM 0 H LYS A 33 -1.909 14.168 4.510 1.00 0.00 H new ATOM 0 HA LYS A 33 -2.064 17.016 4.964 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -4.282 16.903 6.065 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -4.381 16.644 4.334 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -4.494 14.177 4.728 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -4.446 14.464 6.456 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -6.542 15.795 6.300 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -6.587 15.530 4.568 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -6.718 13.065 4.960 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -6.701 13.345 6.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -8.945 13.035 5.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -8.760 14.612 6.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -8.777 14.340 4.801 1.00 0.00 H new ATOM 448 N GLY A 34 -1.900 14.269 6.710 1.00 0.00 N ATOM 449 CA GLY A 34 -1.414 13.687 7.943 1.00 0.00 C ATOM 450 C GLY A 34 -1.276 12.184 7.842 1.00 0.00 C ATOM 451 O GLY A 34 -0.519 11.568 8.592 1.00 0.00 O ATOM 0 H GLY A 34 -2.171 13.590 5.999 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -0.448 14.124 8.194 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -2.097 13.935 8.755 1.00 0.00 H new ATOM 455 N LYS A 35 -2.013 11.592 6.906 1.00 0.00 N ATOM 456 CA LYS A 35 -1.980 10.154 6.699 1.00 0.00 C ATOM 457 C LYS A 35 -0.716 9.743 5.956 1.00 0.00 C ATOM 458 O LYS A 35 -0.077 10.562 5.296 1.00 0.00 O ATOM 459 CB LYS A 35 -3.218 9.708 5.927 1.00 0.00 C ATOM 460 CG LYS A 35 -3.279 10.246 4.509 1.00 0.00 C ATOM 461 CD LYS A 35 -4.589 9.880 3.830 1.00 0.00 C ATOM 462 CE LYS A 35 -4.762 8.373 3.711 1.00 0.00 C ATOM 463 NZ LYS A 35 -6.056 8.014 3.069 1.00 0.00 N ATOM 0 H LYS A 35 -2.642 12.092 6.278 1.00 0.00 H new ATOM 0 HA LYS A 35 -1.975 9.665 7.673 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -3.242 8.619 5.894 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -4.108 10.031 6.467 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.167 11.330 4.525 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -2.445 9.848 3.931 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -5.421 10.298 4.397 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -4.622 10.329 2.837 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -3.940 7.958 3.128 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -4.710 7.922 4.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -6.137 6.979 3.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -6.842 8.389 3.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -6.095 8.423 2.114 1.00 0.00 H new ATOM 477 N VAL A 36 -0.358 8.472 6.073 1.00 0.00 N ATOM 478 CA VAL A 36 0.836 7.951 5.416 1.00 0.00 C ATOM 479 C VAL A 36 0.465 6.900 4.373 1.00 0.00 C ATOM 480 O VAL A 36 0.523 5.703 4.645 1.00 0.00 O ATOM 481 CB VAL A 36 1.807 7.321 6.435 1.00 0.00 C ATOM 482 CG1 VAL A 36 3.228 7.343 5.902 1.00 0.00 C ATOM 483 CG2 VAL A 36 1.720 8.023 7.781 1.00 0.00 C ATOM 0 H VAL A 36 -0.876 7.781 6.616 1.00 0.00 H new ATOM 0 HA VAL A 36 1.327 8.793 4.929 1.00 0.00 H new ATOM 0 HB VAL A 36 1.514 6.282 6.584 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.899 6.894 6.635 1.00 0.00 H new ATOM 0 HG12 VAL A 36 3.276 6.777 4.972 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.531 8.373 5.716 1.00 0.00 H new ATOM 0 HG21 VAL A 36 2.415 7.558 8.480 1.00 0.00 H new ATOM 0 HG22 VAL A 36 1.977 9.075 7.660 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.705 7.940 8.170 1.00 0.00 H new ATOM 493 N GLU A 37 0.076 7.347 3.182 1.00 0.00 N ATOM 494 CA GLU A 37 -0.313 6.422 2.119 1.00 0.00 C ATOM 495 C GLU A 37 0.894 5.979 1.298 1.00 0.00 C ATOM 496 O GLU A 37 1.661 6.799 0.795 1.00 0.00 O ATOM 497 CB GLU A 37 -1.360 7.064 1.205 1.00 0.00 C ATOM 498 CG GLU A 37 -0.862 8.297 0.473 1.00 0.00 C ATOM 499 CD GLU A 37 -1.937 8.944 -0.382 1.00 0.00 C ATOM 500 OE1 GLU A 37 -3.075 8.428 -0.397 1.00 0.00 O ATOM 501 OE2 GLU A 37 -1.639 9.964 -1.038 1.00 0.00 O ATOM 0 H GLU A 37 0.022 8.334 2.929 1.00 0.00 H new ATOM 0 HA GLU A 37 -0.745 5.540 2.591 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -1.690 6.327 0.473 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -2.232 7.334 1.801 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -0.495 9.022 1.199 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -0.017 8.023 -0.159 1.00 0.00 H new ATOM 508 N TYR A 38 1.043 4.665 1.164 1.00 0.00 N ATOM 509 CA TYR A 38 2.139 4.082 0.399 1.00 0.00 C ATOM 510 C TYR A 38 1.639 3.526 -0.921 1.00 0.00 C ATOM 511 O TYR A 38 0.544 2.970 -0.996 1.00 0.00 O ATOM 512 CB TYR A 38 2.824 2.959 1.180 1.00 0.00 C ATOM 513 CG TYR A 38 3.817 3.436 2.209 1.00 0.00 C ATOM 514 CD1 TYR A 38 3.435 4.289 3.232 1.00 0.00 C ATOM 515 CD2 TYR A 38 5.145 3.031 2.152 1.00 0.00 C ATOM 516 CE1 TYR A 38 4.346 4.726 4.171 1.00 0.00 C ATOM 517 CE2 TYR A 38 6.063 3.462 3.086 1.00 0.00 C ATOM 518 CZ TYR A 38 5.659 4.311 4.095 1.00 0.00 C ATOM 519 OH TYR A 38 6.571 4.744 5.031 1.00 0.00 O ATOM 0 H TYR A 38 0.413 3.979 1.579 1.00 0.00 H new ATOM 0 HA TYR A 38 2.859 4.879 0.211 1.00 0.00 H new ATOM 0 HB2 TYR A 38 2.061 2.361 1.678 1.00 0.00 H new ATOM 0 HB3 TYR A 38 3.335 2.302 0.476 1.00 0.00 H new ATOM 0 HD1 TYR A 38 2.408 4.617 3.295 1.00 0.00 H new ATOM 0 HD2 TYR A 38 5.464 2.367 1.362 1.00 0.00 H new ATOM 0 HE1 TYR A 38 4.032 5.390 4.963 1.00 0.00 H new ATOM 0 HE2 TYR A 38 7.091 3.137 3.028 1.00 0.00 H new ATOM 0 HH TYR A 38 7.450 4.358 4.834 1.00 0.00 H new ATOM 529 N LEU A 39 2.453 3.658 -1.954 1.00 0.00 N ATOM 530 CA LEU A 39 2.100 3.139 -3.261 1.00 0.00 C ATOM 531 C LEU A 39 2.444 1.657 -3.333 1.00 0.00 C ATOM 532 O LEU A 39 3.467 1.232 -2.804 1.00 0.00 O ATOM 533 CB LEU A 39 2.829 3.910 -4.360 1.00 0.00 C ATOM 534 CG LEU A 39 2.441 3.522 -5.786 1.00 0.00 C ATOM 535 CD1 LEU A 39 0.929 3.508 -5.937 1.00 0.00 C ATOM 536 CD2 LEU A 39 3.069 4.479 -6.785 1.00 0.00 C ATOM 0 H LEU A 39 3.361 4.120 -1.912 1.00 0.00 H new ATOM 0 HA LEU A 39 1.028 3.264 -3.414 1.00 0.00 H new ATOM 0 HB2 LEU A 39 2.638 4.975 -4.224 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.902 3.760 -4.238 1.00 0.00 H new ATOM 0 HG LEU A 39 2.817 2.519 -5.988 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.668 3.230 -6.958 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.501 2.785 -5.243 1.00 0.00 H new ATOM 0 HD13 LEU A 39 0.532 4.499 -5.718 1.00 0.00 H new ATOM 0 HD21 LEU A 39 2.783 4.189 -7.796 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.721 5.493 -6.586 1.00 0.00 H new ATOM 0 HD23 LEU A 39 4.154 4.443 -6.691 1.00 0.00 H new ATOM 548 N LEU A 40 1.586 0.867 -3.968 1.00 0.00 N ATOM 549 CA LEU A 40 1.823 -0.569 -4.076 1.00 0.00 C ATOM 550 C LEU A 40 1.176 -1.146 -5.325 1.00 0.00 C ATOM 551 O LEU A 40 0.011 -0.875 -5.608 1.00 0.00 O ATOM 552 CB LEU A 40 1.276 -1.304 -2.848 1.00 0.00 C ATOM 553 CG LEU A 40 1.919 -0.923 -1.513 1.00 0.00 C ATOM 554 CD1 LEU A 40 1.103 0.149 -0.816 1.00 0.00 C ATOM 555 CD2 LEU A 40 2.075 -2.142 -0.617 1.00 0.00 C ATOM 0 H LEU A 40 0.727 1.192 -4.412 1.00 0.00 H new ATOM 0 HA LEU A 40 2.902 -0.711 -4.138 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.204 -1.117 -2.782 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.404 -2.376 -3.001 1.00 0.00 H new ATOM 0 HG LEU A 40 2.912 -0.524 -1.717 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.575 0.407 0.132 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.050 1.035 -1.449 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.096 -0.224 -0.630 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.534 -1.844 0.326 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.095 -2.578 -0.422 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.707 -2.879 -1.112 1.00 0.00 H new ATOM 567 N LYS A 41 1.928 -1.964 -6.056 1.00 0.00 N ATOM 568 CA LYS A 41 1.397 -2.596 -7.257 1.00 0.00 C ATOM 569 C LYS A 41 0.449 -3.721 -6.857 1.00 0.00 C ATOM 570 O LYS A 41 0.763 -4.511 -5.969 1.00 0.00 O ATOM 571 CB LYS A 41 2.529 -3.139 -8.131 1.00 0.00 C ATOM 572 CG LYS A 41 2.039 -3.779 -9.420 1.00 0.00 C ATOM 573 CD LYS A 41 3.189 -4.270 -10.289 1.00 0.00 C ATOM 574 CE LYS A 41 3.960 -3.120 -10.924 1.00 0.00 C ATOM 575 NZ LYS A 41 4.664 -2.282 -9.916 1.00 0.00 N ATOM 0 H LYS A 41 2.896 -2.202 -5.840 1.00 0.00 H new ATOM 0 HA LYS A 41 0.852 -1.852 -7.838 1.00 0.00 H new ATOM 0 HB2 LYS A 41 3.213 -2.326 -8.374 1.00 0.00 H new ATOM 0 HB3 LYS A 41 3.098 -3.874 -7.562 1.00 0.00 H new ATOM 0 HG2 LYS A 41 1.382 -4.616 -9.182 1.00 0.00 H new ATOM 0 HG3 LYS A 41 1.445 -3.057 -9.980 1.00 0.00 H new ATOM 0 HD2 LYS A 41 3.868 -4.871 -9.685 1.00 0.00 H new ATOM 0 HD3 LYS A 41 2.799 -4.920 -11.072 1.00 0.00 H new ATOM 0 HE2 LYS A 41 4.687 -3.520 -11.631 1.00 0.00 H new ATOM 0 HE3 LYS A 41 3.272 -2.496 -11.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 5.588 -1.988 -10.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 4.092 -1.439 -9.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 4.805 -2.832 -9.045 1.00 0.00 H new ATOM 589 N TRP A 42 -0.716 -3.785 -7.492 1.00 0.00 N ATOM 590 CA TRP A 42 -1.695 -4.814 -7.159 1.00 0.00 C ATOM 591 C TRP A 42 -1.787 -5.873 -8.254 1.00 0.00 C ATOM 592 O TRP A 42 -1.847 -5.553 -9.441 1.00 0.00 O ATOM 593 CB TRP A 42 -3.067 -4.183 -6.912 1.00 0.00 C ATOM 594 CG TRP A 42 -3.018 -3.028 -5.955 1.00 0.00 C ATOM 595 CD1 TRP A 42 -2.676 -1.739 -6.246 1.00 0.00 C ATOM 596 CD2 TRP A 42 -3.298 -3.061 -4.549 1.00 0.00 C ATOM 597 NE1 TRP A 42 -2.730 -0.968 -5.110 1.00 0.00 N ATOM 598 CE2 TRP A 42 -3.111 -1.756 -4.057 1.00 0.00 C ATOM 599 CE3 TRP A 42 -3.691 -4.065 -3.659 1.00 0.00 C ATOM 600 CZ2 TRP A 42 -3.306 -1.428 -2.717 1.00 0.00 C ATOM 601 CZ3 TRP A 42 -3.883 -3.737 -2.330 1.00 0.00 C ATOM 602 CH2 TRP A 42 -3.690 -2.431 -1.871 1.00 0.00 C ATOM 0 H TRP A 42 -1.004 -3.145 -8.232 1.00 0.00 H new ATOM 0 HA TRP A 42 -1.362 -5.307 -6.246 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -3.481 -3.844 -7.862 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -3.745 -4.942 -6.522 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -2.403 -1.378 -7.226 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -2.520 0.029 -5.059 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -3.842 -5.078 -4.003 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -3.159 -0.419 -2.360 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -4.188 -4.504 -1.633 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -3.848 -2.209 -0.826 1.00 0.00 H new ATOM 613 N LYS A 43 -1.795 -7.138 -7.838 1.00 0.00 N ATOM 614 CA LYS A 43 -1.877 -8.259 -8.768 1.00 0.00 C ATOM 615 C LYS A 43 -3.187 -8.230 -9.550 1.00 0.00 C ATOM 616 O LYS A 43 -4.227 -7.829 -9.024 1.00 0.00 O ATOM 617 CB LYS A 43 -1.748 -9.585 -8.016 1.00 0.00 C ATOM 618 CG LYS A 43 -2.842 -9.809 -6.982 1.00 0.00 C ATOM 619 CD LYS A 43 -2.676 -11.140 -6.265 1.00 0.00 C ATOM 620 CE LYS A 43 -2.801 -12.315 -7.223 1.00 0.00 C ATOM 621 NZ LYS A 43 -4.114 -12.322 -7.924 1.00 0.00 N ATOM 0 H LYS A 43 -1.745 -7.412 -6.857 1.00 0.00 H new ATOM 0 HA LYS A 43 -1.053 -8.168 -9.476 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -1.766 -10.404 -8.735 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.778 -9.618 -7.519 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -2.825 -8.999 -6.253 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.816 -9.778 -7.470 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.702 -11.171 -5.776 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -3.429 -11.228 -5.482 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -1.997 -12.271 -7.958 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -2.679 -13.247 -6.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -4.260 -13.246 -8.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -4.875 -12.151 -7.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -4.126 -11.574 -8.647 1.00 0.00 H new ATOM 635 N GLY A 44 -3.127 -8.659 -10.807 1.00 0.00 N ATOM 636 CA GLY A 44 -4.310 -8.678 -11.649 1.00 0.00 C ATOM 637 C GLY A 44 -4.622 -7.319 -12.243 1.00 0.00 C ATOM 638 O GLY A 44 -4.802 -7.191 -13.454 1.00 0.00 O ATOM 0 H GLY A 44 -2.277 -8.995 -11.259 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -4.167 -9.399 -12.454 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -5.163 -9.019 -11.063 1.00 0.00 H new ATOM 642 N PHE A 45 -4.678 -6.299 -11.392 1.00 0.00 N ATOM 643 CA PHE A 45 -4.961 -4.943 -11.845 1.00 0.00 C ATOM 644 C PHE A 45 -3.776 -4.384 -12.625 1.00 0.00 C ATOM 645 O PHE A 45 -2.622 -4.601 -12.255 1.00 0.00 O ATOM 646 CB PHE A 45 -5.283 -4.026 -10.659 1.00 0.00 C ATOM 647 CG PHE A 45 -6.537 -4.399 -9.909 1.00 0.00 C ATOM 648 CD1 PHE A 45 -6.747 -5.697 -9.465 1.00 0.00 C ATOM 649 CD2 PHE A 45 -7.505 -3.443 -9.645 1.00 0.00 C ATOM 650 CE1 PHE A 45 -7.897 -6.032 -8.775 1.00 0.00 C ATOM 651 CE2 PHE A 45 -8.657 -3.773 -8.955 1.00 0.00 C ATOM 652 CZ PHE A 45 -8.853 -5.068 -8.520 1.00 0.00 C ATOM 0 H PHE A 45 -4.531 -6.386 -10.386 1.00 0.00 H new ATOM 0 HA PHE A 45 -5.831 -4.982 -12.500 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -4.442 -4.039 -9.966 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -5.381 -3.003 -11.022 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -6.003 -6.455 -9.661 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -7.358 -2.428 -9.982 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -8.048 -7.046 -8.436 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -9.403 -3.018 -8.757 1.00 0.00 H new ATOM 0 HZ PHE A 45 -9.752 -5.327 -7.981 1.00 0.00 H new ATOM 662 N SER A 46 -4.068 -3.669 -13.707 1.00 0.00 N ATOM 663 CA SER A 46 -3.026 -3.080 -14.541 1.00 0.00 C ATOM 664 C SER A 46 -2.063 -2.249 -13.699 1.00 0.00 C ATOM 665 O SER A 46 -2.470 -1.607 -12.731 1.00 0.00 O ATOM 666 CB SER A 46 -3.650 -2.207 -15.631 1.00 0.00 C ATOM 667 OG SER A 46 -4.527 -2.960 -16.450 1.00 0.00 O ATOM 0 H SER A 46 -5.019 -3.483 -14.027 1.00 0.00 H new ATOM 0 HA SER A 46 -2.467 -3.890 -15.009 1.00 0.00 H new ATOM 0 HB2 SER A 46 -4.195 -1.382 -15.172 1.00 0.00 H new ATOM 0 HB3 SER A 46 -2.863 -1.768 -16.244 1.00 0.00 H new ATOM 0 HG SER A 46 -4.913 -2.378 -17.137 1.00 0.00 H new ATOM 673 N ASP A 47 -0.786 -2.270 -14.071 1.00 0.00 N ATOM 674 CA ASP A 47 0.234 -1.519 -13.347 1.00 0.00 C ATOM 675 C ASP A 47 -0.140 -0.042 -13.251 1.00 0.00 C ATOM 676 O ASP A 47 0.151 0.617 -12.256 1.00 0.00 O ATOM 677 CB ASP A 47 1.601 -1.680 -14.019 1.00 0.00 C ATOM 678 CG ASP A 47 1.587 -1.305 -15.491 1.00 0.00 C ATOM 679 OD1 ASP A 47 0.503 -0.976 -16.015 1.00 0.00 O ATOM 680 OD2 ASP A 47 2.664 -1.348 -16.121 1.00 0.00 O ATOM 0 H ASP A 47 -0.434 -2.799 -14.869 1.00 0.00 H new ATOM 0 HA ASP A 47 0.294 -1.922 -12.336 1.00 0.00 H new ATOM 0 HB2 ASP A 47 2.331 -1.060 -13.499 1.00 0.00 H new ATOM 0 HB3 ASP A 47 1.931 -2.714 -13.916 1.00 0.00 H new ATOM 685 N GLU A 48 -0.793 0.469 -14.288 1.00 0.00 N ATOM 686 CA GLU A 48 -1.214 1.862 -14.319 1.00 0.00 C ATOM 687 C GLU A 48 -2.230 2.146 -13.216 1.00 0.00 C ATOM 688 O GLU A 48 -2.343 3.275 -12.739 1.00 0.00 O ATOM 689 CB GLU A 48 -1.816 2.194 -15.684 1.00 0.00 C ATOM 690 CG GLU A 48 -0.836 2.030 -16.835 1.00 0.00 C ATOM 691 CD GLU A 48 0.363 2.951 -16.717 1.00 0.00 C ATOM 692 OE1 GLU A 48 0.164 4.184 -16.699 1.00 0.00 O ATOM 693 OE2 GLU A 48 1.501 2.440 -16.640 1.00 0.00 O ATOM 0 H GLU A 48 -1.043 -0.064 -15.121 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.340 2.490 -14.150 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.679 1.551 -15.858 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.181 3.221 -15.671 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -0.493 0.996 -16.870 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -1.350 2.228 -17.776 1.00 0.00 H new ATOM 700 N ASP A 49 -2.973 1.113 -12.828 1.00 0.00 N ATOM 701 CA ASP A 49 -3.991 1.240 -11.788 1.00 0.00 C ATOM 702 C ASP A 49 -3.366 1.294 -10.391 1.00 0.00 C ATOM 703 O ASP A 49 -3.854 0.654 -9.459 1.00 0.00 O ATOM 704 CB ASP A 49 -4.974 0.068 -11.870 1.00 0.00 C ATOM 705 CG ASP A 49 -6.193 0.262 -10.987 1.00 0.00 C ATOM 706 OD1 ASP A 49 -6.292 1.321 -10.331 1.00 0.00 O ATOM 707 OD2 ASP A 49 -7.051 -0.645 -10.953 1.00 0.00 O ATOM 0 H ASP A 49 -2.889 0.175 -13.220 1.00 0.00 H new ATOM 0 HA ASP A 49 -4.522 2.177 -11.956 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -5.296 -0.059 -12.904 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -4.463 -0.850 -11.580 1.00 0.00 H new ATOM 712 N ASN A 50 -2.294 2.069 -10.246 1.00 0.00 N ATOM 713 CA ASN A 50 -1.625 2.210 -8.956 1.00 0.00 C ATOM 714 C ASN A 50 -2.578 2.792 -7.919 1.00 0.00 C ATOM 715 O ASN A 50 -3.410 3.641 -8.238 1.00 0.00 O ATOM 716 CB ASN A 50 -0.386 3.100 -9.087 1.00 0.00 C ATOM 717 CG ASN A 50 0.806 2.376 -9.688 1.00 0.00 C ATOM 718 OD1 ASN A 50 1.820 2.996 -10.012 1.00 0.00 O ATOM 719 ND2 ASN A 50 0.706 1.056 -9.819 1.00 0.00 N ATOM 0 H ASN A 50 -1.872 2.607 -11.003 1.00 0.00 H new ATOM 0 HA ASN A 50 -1.311 1.220 -8.626 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -0.630 3.963 -9.707 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -0.114 3.481 -8.103 1.00 0.00 H new ATOM 0 HD21 ASN A 50 1.486 0.521 -10.199 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -0.151 0.579 -9.539 1.00 0.00 H new ATOM 726 N THR A 51 -2.458 2.328 -6.678 1.00 0.00 N ATOM 727 CA THR A 51 -3.321 2.807 -5.605 1.00 0.00 C ATOM 728 C THR A 51 -2.583 2.856 -4.272 1.00 0.00 C ATOM 729 O THR A 51 -2.079 1.842 -3.789 1.00 0.00 O ATOM 730 CB THR A 51 -4.567 1.913 -5.457 1.00 0.00 C ATOM 731 OG1 THR A 51 -5.325 1.923 -6.672 1.00 0.00 O ATOM 732 CG2 THR A 51 -5.444 2.383 -4.306 1.00 0.00 C ATOM 0 H THR A 51 -1.776 1.625 -6.393 1.00 0.00 H new ATOM 0 HA THR A 51 -3.629 3.817 -5.875 1.00 0.00 H new ATOM 0 HB THR A 51 -4.231 0.898 -5.244 1.00 0.00 H new ATOM 0 HG1 THR A 51 -6.114 1.351 -6.570 1.00 0.00 H new ATOM 0 HG21 THR A 51 -6.316 1.734 -4.225 1.00 0.00 H new ATOM 0 HG22 THR A 51 -4.876 2.345 -3.377 1.00 0.00 H new ATOM 0 HG23 THR A 51 -5.770 3.407 -4.491 1.00 0.00 H new ATOM 740 N TRP A 52 -2.530 4.046 -3.682 1.00 0.00 N ATOM 741 CA TRP A 52 -1.866 4.246 -2.405 1.00 0.00 C ATOM 742 C TRP A 52 -2.809 3.887 -1.261 1.00 0.00 C ATOM 743 O TRP A 52 -4.029 3.934 -1.416 1.00 0.00 O ATOM 744 CB TRP A 52 -1.391 5.692 -2.278 1.00 0.00 C ATOM 745 CG TRP A 52 -0.554 6.142 -3.440 1.00 0.00 C ATOM 746 CD1 TRP A 52 -0.922 6.194 -4.755 1.00 0.00 C ATOM 747 CD2 TRP A 52 0.802 6.589 -3.388 1.00 0.00 C ATOM 748 NE1 TRP A 52 0.124 6.647 -5.520 1.00 0.00 N ATOM 749 CE2 TRP A 52 1.194 6.900 -4.703 1.00 0.00 C ATOM 750 CE3 TRP A 52 1.723 6.757 -2.356 1.00 0.00 C ATOM 751 CZ2 TRP A 52 2.467 7.370 -5.009 1.00 0.00 C ATOM 752 CZ3 TRP A 52 2.983 7.223 -2.658 1.00 0.00 C ATOM 753 CH2 TRP A 52 3.348 7.527 -3.975 1.00 0.00 C ATOM 0 H TRP A 52 -2.944 4.891 -4.075 1.00 0.00 H new ATOM 0 HA TRP A 52 -0.995 3.592 -2.353 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -2.258 6.346 -2.188 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -0.814 5.799 -1.359 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -1.894 5.919 -5.137 1.00 0.00 H new ATOM 0 HE1 TRP A 52 0.107 6.774 -6.532 1.00 0.00 H new ATOM 0 HE3 TRP A 52 1.453 6.526 -1.336 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 2.749 7.602 -6.025 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 3.703 7.356 -1.864 1.00 0.00 H new ATOM 0 HH2 TRP A 52 4.344 7.892 -4.178 1.00 0.00 H new ATOM 764 N GLU A 53 -2.242 3.515 -0.120 1.00 0.00 N ATOM 765 CA GLU A 53 -3.045 3.129 1.035 1.00 0.00 C ATOM 766 C GLU A 53 -2.339 3.472 2.346 1.00 0.00 C ATOM 767 O GLU A 53 -1.131 3.280 2.477 1.00 0.00 O ATOM 768 CB GLU A 53 -3.339 1.632 0.974 1.00 0.00 C ATOM 769 CG GLU A 53 -2.102 0.792 0.700 1.00 0.00 C ATOM 770 CD GLU A 53 -2.401 -0.692 0.635 1.00 0.00 C ATOM 771 OE1 GLU A 53 -3.566 -1.075 0.868 1.00 0.00 O ATOM 772 OE2 GLU A 53 -1.467 -1.470 0.353 1.00 0.00 O ATOM 0 H GLU A 53 -1.234 3.472 0.031 1.00 0.00 H new ATOM 0 HA GLU A 53 -3.980 3.689 1.005 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -3.783 1.316 1.918 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -4.078 1.444 0.195 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -1.655 1.109 -0.242 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -1.364 0.975 1.481 1.00 0.00 H new ATOM 779 N PRO A 54 -3.090 3.986 3.341 1.00 0.00 N ATOM 780 CA PRO A 54 -2.528 4.353 4.644 1.00 0.00 C ATOM 781 C PRO A 54 -1.847 3.173 5.328 1.00 0.00 C ATOM 782 O PRO A 54 -2.444 2.109 5.487 1.00 0.00 O ATOM 783 CB PRO A 54 -3.745 4.821 5.456 1.00 0.00 C ATOM 784 CG PRO A 54 -4.932 4.296 4.723 1.00 0.00 C ATOM 785 CD PRO A 54 -4.536 4.246 3.276 1.00 0.00 C ATOM 0 HA PRO A 54 -1.755 5.116 4.550 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -3.710 4.436 6.475 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -3.776 5.908 5.527 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -5.208 3.306 5.086 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -5.798 4.942 4.869 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -5.065 3.458 2.739 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -4.756 5.183 2.764 1.00 0.00 H new ATOM 793 N GLU A 55 -0.593 3.382 5.722 1.00 0.00 N ATOM 794 CA GLU A 55 0.214 2.357 6.383 1.00 0.00 C ATOM 795 C GLU A 55 -0.600 1.571 7.413 1.00 0.00 C ATOM 796 O GLU A 55 -0.377 0.377 7.608 1.00 0.00 O ATOM 797 CB GLU A 55 1.431 3.015 7.048 1.00 0.00 C ATOM 798 CG GLU A 55 2.411 2.041 7.688 1.00 0.00 C ATOM 799 CD GLU A 55 1.891 1.432 8.978 1.00 0.00 C ATOM 800 OE1 GLU A 55 1.574 2.199 9.911 1.00 0.00 O ATOM 801 OE2 GLU A 55 1.808 0.187 9.055 1.00 0.00 O ATOM 0 H GLU A 55 -0.106 4.269 5.592 1.00 0.00 H new ATOM 0 HA GLU A 55 0.550 1.646 5.628 1.00 0.00 H new ATOM 0 HB2 GLU A 55 1.962 3.605 6.300 1.00 0.00 H new ATOM 0 HB3 GLU A 55 1.080 3.710 7.811 1.00 0.00 H new ATOM 0 HG2 GLU A 55 2.634 1.242 6.981 1.00 0.00 H new ATOM 0 HG3 GLU A 55 3.349 2.559 7.890 1.00 0.00 H new ATOM 808 N GLU A 56 -1.538 2.248 8.070 1.00 0.00 N ATOM 809 CA GLU A 56 -2.378 1.613 9.084 1.00 0.00 C ATOM 810 C GLU A 56 -2.991 0.308 8.570 1.00 0.00 C ATOM 811 O GLU A 56 -2.908 -0.729 9.228 1.00 0.00 O ATOM 812 CB GLU A 56 -3.493 2.569 9.517 1.00 0.00 C ATOM 813 CG GLU A 56 -2.988 3.892 10.076 1.00 0.00 C ATOM 814 CD GLU A 56 -2.200 3.728 11.362 1.00 0.00 C ATOM 815 OE1 GLU A 56 -1.144 3.061 11.334 1.00 0.00 O ATOM 816 OE2 GLU A 56 -2.640 4.268 12.399 1.00 0.00 O ATOM 0 H GLU A 56 -1.736 3.237 7.919 1.00 0.00 H new ATOM 0 HA GLU A 56 -1.744 1.377 9.939 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -4.139 2.770 8.662 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.107 2.078 10.272 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.360 4.379 9.331 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -3.837 4.551 10.258 1.00 0.00 H new ATOM 823 N ASN A 57 -3.613 0.369 7.394 1.00 0.00 N ATOM 824 CA ASN A 57 -4.247 -0.804 6.795 1.00 0.00 C ATOM 825 C ASN A 57 -3.215 -1.794 6.263 1.00 0.00 C ATOM 826 O ASN A 57 -3.463 -3.000 6.235 1.00 0.00 O ATOM 827 CB ASN A 57 -5.187 -0.381 5.665 1.00 0.00 C ATOM 828 CG ASN A 57 -6.330 0.484 6.158 1.00 0.00 C ATOM 829 OD1 ASN A 57 -7.111 0.072 7.014 1.00 0.00 O ATOM 830 ND2 ASN A 57 -6.433 1.690 5.614 1.00 0.00 N ATOM 0 H ASN A 57 -3.692 1.219 6.836 1.00 0.00 H new ATOM 0 HA ASN A 57 -4.820 -1.301 7.578 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -4.621 0.165 4.910 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -5.590 -1.270 5.180 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -7.183 2.317 5.903 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -5.762 1.989 4.907 1.00 0.00 H new ATOM 837 N LEU A 58 -2.070 -1.275 5.826 1.00 0.00 N ATOM 838 CA LEU A 58 -1.003 -2.109 5.277 1.00 0.00 C ATOM 839 C LEU A 58 -0.767 -3.353 6.125 1.00 0.00 C ATOM 840 O LEU A 58 -0.642 -3.273 7.348 1.00 0.00 O ATOM 841 CB LEU A 58 0.299 -1.309 5.174 1.00 0.00 C ATOM 842 CG LEU A 58 0.387 -0.294 4.026 1.00 0.00 C ATOM 843 CD1 LEU A 58 0.817 -0.979 2.743 1.00 0.00 C ATOM 844 CD2 LEU A 58 -0.938 0.418 3.813 1.00 0.00 C ATOM 0 H LEU A 58 -1.857 -0.278 5.841 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.319 -2.427 4.283 1.00 0.00 H new ATOM 0 HB2 LEU A 58 0.448 -0.776 6.113 1.00 0.00 H new ATOM 0 HB3 LEU A 58 1.125 -2.013 5.072 1.00 0.00 H new ATOM 0 HG LEU A 58 1.134 0.451 4.301 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.874 -0.244 1.940 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.796 -1.437 2.886 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.091 -1.748 2.480 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.841 1.130 2.993 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.709 -0.313 3.570 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -1.216 0.949 4.723 1.00 0.00 H new ATOM 856 N ASP A 59 -0.693 -4.498 5.458 1.00 0.00 N ATOM 857 CA ASP A 59 -0.456 -5.768 6.128 1.00 0.00 C ATOM 858 C ASP A 59 0.795 -6.427 5.560 1.00 0.00 C ATOM 859 O ASP A 59 0.827 -7.634 5.319 1.00 0.00 O ATOM 860 CB ASP A 59 -1.664 -6.692 5.958 1.00 0.00 C ATOM 861 CG ASP A 59 -2.925 -6.111 6.566 1.00 0.00 C ATOM 862 OD1 ASP A 59 -2.933 -5.858 7.789 1.00 0.00 O ATOM 863 OD2 ASP A 59 -3.905 -5.909 5.819 1.00 0.00 O ATOM 0 H ASP A 59 -0.795 -4.572 4.446 1.00 0.00 H new ATOM 0 HA ASP A 59 -0.308 -5.584 7.192 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -1.828 -6.879 4.897 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -1.450 -7.655 6.422 1.00 0.00 H new ATOM 868 N CYS A 60 1.819 -5.612 5.339 1.00 0.00 N ATOM 869 CA CYS A 60 3.080 -6.086 4.786 1.00 0.00 C ATOM 870 C CYS A 60 4.224 -5.152 5.181 1.00 0.00 C ATOM 871 O CYS A 60 4.902 -4.590 4.321 1.00 0.00 O ATOM 872 CB CYS A 60 2.982 -6.188 3.262 1.00 0.00 C ATOM 873 SG CYS A 60 2.550 -4.635 2.442 1.00 0.00 S ATOM 0 H CYS A 60 1.799 -4.612 5.536 1.00 0.00 H new ATOM 0 HA CYS A 60 3.287 -7.076 5.193 1.00 0.00 H new ATOM 0 HB2 CYS A 60 3.937 -6.539 2.870 1.00 0.00 H new ATOM 0 HB3 CYS A 60 2.236 -6.941 3.007 1.00 0.00 H new ATOM 0 HG CYS A 60 3.330 -3.687 2.869 1.00 0.00 H new ATOM 879 N PRO A 61 4.456 -4.973 6.498 1.00 0.00 N ATOM 880 CA PRO A 61 5.521 -4.105 7.008 1.00 0.00 C ATOM 881 C PRO A 61 6.869 -4.417 6.375 1.00 0.00 C ATOM 882 O PRO A 61 7.720 -3.538 6.239 1.00 0.00 O ATOM 883 CB PRO A 61 5.554 -4.397 8.517 1.00 0.00 C ATOM 884 CG PRO A 61 4.711 -5.615 8.710 1.00 0.00 C ATOM 885 CD PRO A 61 3.708 -5.603 7.596 1.00 0.00 C ATOM 0 HA PRO A 61 5.329 -3.057 6.777 1.00 0.00 H new ATOM 0 HB2 PRO A 61 6.574 -4.568 8.861 1.00 0.00 H new ATOM 0 HB3 PRO A 61 5.162 -3.555 9.088 1.00 0.00 H new ATOM 0 HG2 PRO A 61 5.319 -6.519 8.678 1.00 0.00 H new ATOM 0 HG3 PRO A 61 4.216 -5.597 9.681 1.00 0.00 H new ATOM 0 HD2 PRO A 61 3.378 -6.609 7.337 1.00 0.00 H new ATOM 0 HD3 PRO A 61 2.817 -5.033 7.859 1.00 0.00 H new ATOM 893 N ASP A 62 7.058 -5.675 5.992 1.00 0.00 N ATOM 894 CA ASP A 62 8.302 -6.111 5.373 1.00 0.00 C ATOM 895 C ASP A 62 8.622 -5.278 4.134 1.00 0.00 C ATOM 896 O ASP A 62 9.777 -4.926 3.896 1.00 0.00 O ATOM 897 CB ASP A 62 8.220 -7.590 4.999 1.00 0.00 C ATOM 898 CG ASP A 62 9.489 -8.091 4.336 1.00 0.00 C ATOM 899 OD1 ASP A 62 10.560 -8.021 4.975 1.00 0.00 O ATOM 900 OD2 ASP A 62 9.411 -8.553 3.179 1.00 0.00 O ATOM 0 H ASP A 62 6.362 -6.413 6.100 1.00 0.00 H new ATOM 0 HA ASP A 62 9.104 -5.970 6.098 1.00 0.00 H new ATOM 0 HB2 ASP A 62 8.025 -8.178 5.896 1.00 0.00 H new ATOM 0 HB3 ASP A 62 7.376 -7.746 4.327 1.00 0.00 H new ATOM 905 N LEU A 63 7.595 -4.962 3.346 1.00 0.00 N ATOM 906 CA LEU A 63 7.778 -4.169 2.137 1.00 0.00 C ATOM 907 C LEU A 63 8.119 -2.726 2.484 1.00 0.00 C ATOM 908 O LEU A 63 9.000 -2.125 1.871 1.00 0.00 O ATOM 909 CB LEU A 63 6.526 -4.224 1.260 1.00 0.00 C ATOM 910 CG LEU A 63 6.284 -5.559 0.549 1.00 0.00 C ATOM 911 CD1 LEU A 63 6.023 -6.673 1.552 1.00 0.00 C ATOM 912 CD2 LEU A 63 5.124 -5.435 -0.423 1.00 0.00 C ATOM 0 H LEU A 63 6.631 -5.243 3.525 1.00 0.00 H new ATOM 0 HA LEU A 63 8.611 -4.594 1.577 1.00 0.00 H new ATOM 0 HB2 LEU A 63 5.658 -3.998 1.880 1.00 0.00 H new ATOM 0 HB3 LEU A 63 6.594 -3.438 0.508 1.00 0.00 H new ATOM 0 HG LEU A 63 7.184 -5.815 -0.010 1.00 0.00 H new ATOM 0 HD11 LEU A 63 5.854 -7.609 1.020 1.00 0.00 H new ATOM 0 HD12 LEU A 63 6.885 -6.780 2.210 1.00 0.00 H new ATOM 0 HD13 LEU A 63 5.142 -6.429 2.145 1.00 0.00 H new ATOM 0 HD21 LEU A 63 4.963 -6.391 -0.921 1.00 0.00 H new ATOM 0 HD22 LEU A 63 4.222 -5.153 0.121 1.00 0.00 H new ATOM 0 HD23 LEU A 63 5.353 -4.672 -1.167 1.00 0.00 H new ATOM 924 N ILE A 64 7.426 -2.179 3.479 1.00 0.00 N ATOM 925 CA ILE A 64 7.675 -0.809 3.913 1.00 0.00 C ATOM 926 C ILE A 64 9.120 -0.667 4.372 1.00 0.00 C ATOM 927 O ILE A 64 9.803 0.297 4.022 1.00 0.00 O ATOM 928 CB ILE A 64 6.725 -0.382 5.056 1.00 0.00 C ATOM 929 CG1 ILE A 64 5.283 -0.259 4.549 1.00 0.00 C ATOM 930 CG2 ILE A 64 7.182 0.936 5.668 1.00 0.00 C ATOM 931 CD1 ILE A 64 4.654 -1.575 4.148 1.00 0.00 C ATOM 0 H ILE A 64 6.691 -2.661 3.997 1.00 0.00 H new ATOM 0 HA ILE A 64 7.487 -0.156 3.061 1.00 0.00 H new ATOM 0 HB ILE A 64 6.755 -1.153 5.826 1.00 0.00 H new ATOM 0 HG12 ILE A 64 4.674 0.200 5.327 1.00 0.00 H new ATOM 0 HG13 ILE A 64 5.267 0.415 3.692 1.00 0.00 H new ATOM 0 HG21 ILE A 64 6.501 1.220 6.470 1.00 0.00 H new ATOM 0 HG22 ILE A 64 8.189 0.821 6.070 1.00 0.00 H new ATOM 0 HG23 ILE A 64 7.184 1.712 4.902 1.00 0.00 H new ATOM 0 HD11 ILE A 64 3.635 -1.401 3.801 1.00 0.00 H new ATOM 0 HD12 ILE A 64 5.238 -2.028 3.347 1.00 0.00 H new ATOM 0 HD13 ILE A 64 4.635 -2.246 5.007 1.00 0.00 H new ATOM 943 N ALA A 65 9.583 -1.646 5.142 1.00 0.00 N ATOM 944 CA ALA A 65 10.952 -1.650 5.635 1.00 0.00 C ATOM 945 C ALA A 65 11.927 -1.821 4.478 1.00 0.00 C ATOM 946 O ALA A 65 12.938 -1.125 4.399 1.00 0.00 O ATOM 947 CB ALA A 65 11.142 -2.758 6.662 1.00 0.00 C ATOM 0 H ALA A 65 9.027 -2.448 5.438 1.00 0.00 H new ATOM 0 HA ALA A 65 11.153 -0.694 6.119 1.00 0.00 H new ATOM 0 HB1 ALA A 65 12.171 -2.748 7.022 1.00 0.00 H new ATOM 0 HB2 ALA A 65 10.463 -2.598 7.500 1.00 0.00 H new ATOM 0 HB3 ALA A 65 10.928 -3.722 6.201 1.00 0.00 H new ATOM 953 N GLU A 66 11.603 -2.745 3.575 1.00 0.00 N ATOM 954 CA GLU A 66 12.435 -3.006 2.405 1.00 0.00 C ATOM 955 C GLU A 66 12.630 -1.726 1.606 1.00 0.00 C ATOM 956 O GLU A 66 13.719 -1.449 1.103 1.00 0.00 O ATOM 957 CB GLU A 66 11.787 -4.078 1.523 1.00 0.00 C ATOM 958 CG GLU A 66 12.596 -4.414 0.280 1.00 0.00 C ATOM 959 CD GLU A 66 11.947 -5.492 -0.567 1.00 0.00 C ATOM 960 OE1 GLU A 66 10.866 -5.984 -0.180 1.00 0.00 O ATOM 961 OE2 GLU A 66 12.520 -5.844 -1.620 1.00 0.00 O ATOM 0 H GLU A 66 10.767 -3.326 3.633 1.00 0.00 H new ATOM 0 HA GLU A 66 13.407 -3.366 2.741 1.00 0.00 H new ATOM 0 HB2 GLU A 66 11.647 -4.985 2.111 1.00 0.00 H new ATOM 0 HB3 GLU A 66 10.796 -3.738 1.221 1.00 0.00 H new ATOM 0 HG2 GLU A 66 12.723 -3.513 -0.320 1.00 0.00 H new ATOM 0 HG3 GLU A 66 13.592 -4.742 0.577 1.00 0.00 H new ATOM 968 N PHE A 67 11.561 -0.946 1.509 1.00 0.00 N ATOM 969 CA PHE A 67 11.586 0.317 0.790 1.00 0.00 C ATOM 970 C PHE A 67 12.591 1.278 1.416 1.00 0.00 C ATOM 971 O PHE A 67 13.386 1.907 0.717 1.00 0.00 O ATOM 972 CB PHE A 67 10.187 0.935 0.808 1.00 0.00 C ATOM 973 CG PHE A 67 10.137 2.353 0.318 1.00 0.00 C ATOM 974 CD1 PHE A 67 10.558 2.678 -0.961 1.00 0.00 C ATOM 975 CD2 PHE A 67 9.662 3.359 1.143 1.00 0.00 C ATOM 976 CE1 PHE A 67 10.507 3.984 -1.407 1.00 0.00 C ATOM 977 CE2 PHE A 67 9.609 4.665 0.703 1.00 0.00 C ATOM 978 CZ PHE A 67 10.032 4.979 -0.574 1.00 0.00 C ATOM 0 H PHE A 67 10.657 -1.171 1.925 1.00 0.00 H new ATOM 0 HA PHE A 67 11.892 0.131 -0.239 1.00 0.00 H new ATOM 0 HB2 PHE A 67 9.524 0.326 0.193 1.00 0.00 H new ATOM 0 HB3 PHE A 67 9.799 0.900 1.826 1.00 0.00 H new ATOM 0 HD1 PHE A 67 10.929 1.903 -1.615 1.00 0.00 H new ATOM 0 HD2 PHE A 67 9.329 3.118 2.142 1.00 0.00 H new ATOM 0 HE1 PHE A 67 10.838 4.227 -2.406 1.00 0.00 H new ATOM 0 HE2 PHE A 67 9.237 5.441 1.356 1.00 0.00 H new ATOM 0 HZ PHE A 67 9.992 6.001 -0.921 1.00 0.00 H new ATOM 988 N LEU A 68 12.536 1.393 2.737 1.00 0.00 N ATOM 989 CA LEU A 68 13.423 2.282 3.472 1.00 0.00 C ATOM 990 C LEU A 68 14.869 1.791 3.449 1.00 0.00 C ATOM 991 O LEU A 68 15.799 2.597 3.450 1.00 0.00 O ATOM 992 CB LEU A 68 12.924 2.430 4.906 1.00 0.00 C ATOM 993 CG LEU A 68 11.468 2.884 5.020 1.00 0.00 C ATOM 994 CD1 LEU A 68 11.055 3.003 6.475 1.00 0.00 C ATOM 995 CD2 LEU A 68 11.260 4.206 4.293 1.00 0.00 C ATOM 0 H LEU A 68 11.881 0.877 3.324 1.00 0.00 H new ATOM 0 HA LEU A 68 13.411 3.256 2.983 1.00 0.00 H new ATOM 0 HB2 LEU A 68 13.036 1.474 5.418 1.00 0.00 H new ATOM 0 HB3 LEU A 68 13.558 3.147 5.427 1.00 0.00 H new ATOM 0 HG LEU A 68 10.838 2.130 4.548 1.00 0.00 H new ATOM 0 HD11 LEU A 68 10.016 3.327 6.533 1.00 0.00 H new ATOM 0 HD12 LEU A 68 11.161 2.034 6.964 1.00 0.00 H new ATOM 0 HD13 LEU A 68 11.691 3.733 6.975 1.00 0.00 H new ATOM 0 HD21 LEU A 68 10.218 4.512 4.386 1.00 0.00 H new ATOM 0 HD22 LEU A 68 11.903 4.968 4.733 1.00 0.00 H new ATOM 0 HD23 LEU A 68 11.510 4.085 3.239 1.00 0.00 H new ATOM 1007 N GLN A 69 15.058 0.473 3.426 1.00 0.00 N ATOM 1008 CA GLN A 69 16.402 -0.100 3.394 1.00 0.00 C ATOM 1009 C GLN A 69 17.201 0.494 2.242 1.00 0.00 C ATOM 1010 O GLN A 69 18.369 0.849 2.400 1.00 0.00 O ATOM 1011 CB GLN A 69 16.343 -1.623 3.265 1.00 0.00 C ATOM 1012 CG GLN A 69 15.754 -2.314 4.483 1.00 0.00 C ATOM 1013 CD GLN A 69 15.711 -3.821 4.335 1.00 0.00 C ATOM 1014 OE1 GLN A 69 16.737 -4.467 4.124 1.00 0.00 O ATOM 1015 NE2 GLN A 69 14.516 -4.392 4.449 1.00 0.00 N ATOM 0 H GLN A 69 14.304 -0.214 3.429 1.00 0.00 H new ATOM 0 HA GLN A 69 16.899 0.145 4.333 1.00 0.00 H new ATOM 0 HB2 GLN A 69 15.750 -1.882 2.388 1.00 0.00 H new ATOM 0 HB3 GLN A 69 17.350 -2.004 3.093 1.00 0.00 H new ATOM 0 HG2 GLN A 69 16.343 -2.056 5.363 1.00 0.00 H new ATOM 0 HG3 GLN A 69 14.744 -1.941 4.655 1.00 0.00 H new ATOM 0 HE21 GLN A 69 13.691 -3.818 4.624 1.00 0.00 H new ATOM 0 HE22 GLN A 69 14.424 -5.404 4.361 1.00 0.00 H new ATOM 1024 N SER A 70 16.554 0.617 1.087 1.00 0.00 N ATOM 1025 CA SER A 70 17.193 1.188 -0.089 1.00 0.00 C ATOM 1026 C SER A 70 17.626 2.621 0.204 1.00 0.00 C ATOM 1027 O SER A 70 18.639 3.095 -0.309 1.00 0.00 O ATOM 1028 CB SER A 70 16.239 1.161 -1.284 1.00 0.00 C ATOM 1029 OG SER A 70 15.840 -0.164 -1.587 1.00 0.00 O ATOM 0 H SER A 70 15.587 0.328 0.942 1.00 0.00 H new ATOM 0 HA SER A 70 18.071 0.591 -0.336 1.00 0.00 H new ATOM 0 HB2 SER A 70 15.360 1.768 -1.066 1.00 0.00 H new ATOM 0 HB3 SER A 70 16.726 1.605 -2.152 1.00 0.00 H new ATOM 0 HG SER A 70 15.229 -0.155 -2.353 1.00 0.00 H new ATOM 1035 N GLN A 71 16.843 3.298 1.041 1.00 0.00 N ATOM 1036 CA GLN A 71 17.127 4.675 1.428 1.00 0.00 C ATOM 1037 C GLN A 71 18.251 4.733 2.460 1.00 0.00 C ATOM 1038 O GLN A 71 18.196 5.522 3.404 1.00 0.00 O ATOM 1039 CB GLN A 71 15.869 5.327 2.000 1.00 0.00 C ATOM 1040 CG GLN A 71 14.704 5.350 1.029 1.00 0.00 C ATOM 1041 CD GLN A 71 14.944 6.263 -0.156 1.00 0.00 C ATOM 1042 OE1 GLN A 71 15.181 7.460 0.005 1.00 0.00 O ATOM 1043 NE2 GLN A 71 14.878 5.701 -1.355 1.00 0.00 N ATOM 0 H GLN A 71 16.001 2.910 1.466 1.00 0.00 H new ATOM 0 HA GLN A 71 17.446 5.218 0.539 1.00 0.00 H new ATOM 0 HB2 GLN A 71 15.570 4.792 2.901 1.00 0.00 H new ATOM 0 HB3 GLN A 71 16.103 6.349 2.299 1.00 0.00 H new ATOM 0 HG2 GLN A 71 14.517 4.338 0.670 1.00 0.00 H new ATOM 0 HG3 GLN A 71 13.805 5.673 1.555 1.00 0.00 H new ATOM 0 HE21 GLN A 71 14.679 4.704 -1.441 1.00 0.00 H new ATOM 0 HE22 GLN A 71 15.027 6.265 -2.192 1.00 0.00 H new ATOM 1270 N GLN B 5 2.458 -11.834 1.968 1.00 0.00 N ATOM 1271 CA GLN B 5 2.187 -10.458 2.373 1.00 0.00 C ATOM 1272 C GLN B 5 0.882 -9.962 1.758 1.00 0.00 C ATOM 1273 O GLN B 5 0.487 -10.411 0.683 1.00 0.00 O ATOM 1274 CB GLN B 5 3.339 -9.541 1.961 1.00 0.00 C ATOM 1275 CG GLN B 5 4.664 -9.886 2.622 1.00 0.00 C ATOM 1276 CD GLN B 5 4.618 -9.751 4.133 1.00 0.00 C ATOM 1277 OE1 GLN B 5 3.872 -10.461 4.810 1.00 0.00 O ATOM 1278 NE2 GLN B 5 5.413 -8.834 4.669 1.00 0.00 N ATOM 0 HA GLN B 5 2.091 -10.438 3.459 1.00 0.00 H new ATOM 0 HB2 GLN B 5 3.460 -9.589 0.879 1.00 0.00 H new ATOM 0 HB3 GLN B 5 3.078 -8.512 2.207 1.00 0.00 H new ATOM 0 HG2 GLN B 5 4.940 -10.908 2.361 1.00 0.00 H new ATOM 0 HG3 GLN B 5 5.443 -9.234 2.227 1.00 0.00 H new ATOM 0 HE21 GLN B 5 6.015 -8.268 4.071 1.00 0.00 H new ATOM 0 HE22 GLN B 5 5.423 -8.695 5.679 1.00 0.00 H new ATOM 1287 N THR B 6 0.216 -9.039 2.448 1.00 0.00 N ATOM 1288 CA THR B 6 -1.049 -8.491 1.964 1.00 0.00 C ATOM 1289 C THR B 6 -1.222 -7.030 2.377 1.00 0.00 C ATOM 1290 O THR B 6 -0.363 -6.454 3.043 1.00 0.00 O ATOM 1291 CB THR B 6 -2.255 -9.296 2.492 1.00 0.00 C ATOM 1292 OG1 THR B 6 -2.233 -9.333 3.923 1.00 0.00 O ATOM 1293 CG2 THR B 6 -2.250 -10.715 1.943 1.00 0.00 C ATOM 0 H THR B 6 0.529 -8.656 3.340 1.00 0.00 H new ATOM 0 HA THR B 6 -1.016 -8.559 0.877 1.00 0.00 H new ATOM 0 HB THR B 6 -3.165 -8.799 2.155 1.00 0.00 H new ATOM 0 HG1 THR B 6 -3.003 -9.844 4.249 1.00 0.00 H new ATOM 0 HG21 THR B 6 -3.111 -11.259 2.332 1.00 0.00 H new ATOM 0 HG22 THR B 6 -2.302 -10.684 0.855 1.00 0.00 H new ATOM 0 HG23 THR B 6 -1.334 -11.220 2.249 1.00 0.00 H new ATOM 1301 N ALA B 7 -2.348 -6.447 1.976 1.00 0.00 N ATOM 1302 CA ALA B 7 -2.671 -5.059 2.292 1.00 0.00 C ATOM 1303 C ALA B 7 -4.057 -4.712 1.754 1.00 0.00 C ATOM 1304 O ALA B 7 -4.325 -4.859 0.562 1.00 0.00 O ATOM 1305 CB ALA B 7 -1.621 -4.111 1.725 1.00 0.00 C ATOM 0 H ALA B 7 -3.061 -6.923 1.424 1.00 0.00 H new ATOM 0 HA ALA B 7 -2.674 -4.942 3.376 1.00 0.00 H new ATOM 0 HB1 ALA B 7 -1.886 -3.084 1.975 1.00 0.00 H new ATOM 0 HB2 ALA B 7 -0.647 -4.349 2.153 1.00 0.00 H new ATOM 0 HB3 ALA B 7 -1.578 -4.222 0.641 1.00 0.00 H new ATOM 1311 N ARG B 8 -4.936 -4.272 2.646 1.00 0.00 N ATOM 1312 CA ARG B 8 -6.306 -3.929 2.274 1.00 0.00 C ATOM 1313 C ARG B 8 -6.404 -2.535 1.661 1.00 0.00 C ATOM 1314 O ARG B 8 -5.789 -1.586 2.150 1.00 0.00 O ATOM 1315 CB ARG B 8 -7.212 -4.012 3.498 1.00 0.00 C ATOM 1316 CG ARG B 8 -7.185 -5.368 4.181 1.00 0.00 C ATOM 1317 CD ARG B 8 -8.079 -5.389 5.411 1.00 0.00 C ATOM 1318 NE ARG B 8 -7.699 -4.366 6.381 1.00 0.00 N ATOM 1319 CZ ARG B 8 -8.315 -4.186 7.545 1.00 0.00 C ATOM 1320 NH1 ARG B 8 -9.333 -4.962 7.889 1.00 0.00 N ATOM 1321 NH2 ARG B 8 -7.913 -3.227 8.369 1.00 0.00 N ATOM 0 H ARG B 8 -4.725 -4.143 3.636 1.00 0.00 H new ATOM 0 HA ARG B 8 -6.628 -4.647 1.520 1.00 0.00 H new ATOM 0 HB2 ARG B 8 -6.912 -3.247 4.214 1.00 0.00 H new ATOM 0 HB3 ARG B 8 -8.235 -3.785 3.199 1.00 0.00 H new ATOM 0 HG2 ARG B 8 -7.511 -6.136 3.480 1.00 0.00 H new ATOM 0 HG3 ARG B 8 -6.162 -5.612 4.469 1.00 0.00 H new ATOM 0 HD2 ARG B 8 -9.115 -5.235 5.109 1.00 0.00 H new ATOM 0 HD3 ARG B 8 -8.026 -6.371 5.881 1.00 0.00 H new ATOM 0 HE ARG B 8 -6.916 -3.754 6.152 1.00 0.00 H new ATOM 0 HH11 ARG B 8 -9.647 -5.701 7.260 1.00 0.00 H new ATOM 0 HH12 ARG B 8 -9.803 -4.820 8.783 1.00 0.00 H new ATOM 0 HH21 ARG B 8 -7.130 -2.627 8.110 1.00 0.00 H new ATOM 0 HH22 ARG B 8 -8.387 -3.090 9.262 1.00 0.00 H new