USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 623 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 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 60 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 23 THR OG1 : rot 180:sc= -0.753 USER MOD Set 2.2: A 30 CYS SG : rot -151:sc= -0.995! USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ -111:sc= 0.875 (180deg=-1.64!) USER MOD Single : A 38 GLN : amide:sc= -0.527 X(o=-0.53,f=-0.2) USER MOD Single : A 40 TYR OH : rot 0:sc= -3.32 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-1.8!) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.143 USER MOD Single : A 56 ASN : amide:sc= -0.0758 K(o=-0.076,f=-1.6) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -166:sc= 1.33 (180deg=1.13) USER MOD Single : A 71 HIS : no HE2:sc= -10.1! C(o=-10!,f=-12!) USER MOD Single : A 73 ASN : amide:sc= -0.232 X(o=-0.23,f=0) USER MOD Single : A 75 GLN : amide:sc= -0.225 K(o=-0.23,f=-2.3!) USER MOD Single : A 78 MET CE :methyl 168:sc= -0.674 (180deg=-1) USER MOD Single : A 79 MET CE :methyl 172:sc= 0 (180deg=-0.0858) USER MOD Single : A 80 HIS : no HD1:sc= -10.6! C(o=-11!,f=-13!) USER MOD Single : A 83 ASN : amide:sc= -0.0181 X(o=-0.018,f=-0.44) USER MOD Single : A 84 THR OG1 : rot 180:sc= -0.0256 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 GLN : amide:sc= -0.369 X(o=-0.37,f=-0.29) USER MOD ----------------------------------------------------------------- ATOM 169 N ALA A 15 6.397 7.541 13.556 1.00 0.00 N ATOM 170 CA ALA A 15 5.120 6.942 13.206 1.00 0.00 C ATOM 171 C ALA A 15 4.962 6.941 11.684 1.00 0.00 C ATOM 172 O ALA A 15 4.981 7.997 11.054 1.00 0.00 O ATOM 173 CB ALA A 15 3.991 7.700 13.908 1.00 0.00 C ATOM 0 HA ALA A 15 5.077 5.906 13.543 1.00 0.00 H new ATOM 0 HB1 ALA A 15 3.033 7.251 13.646 1.00 0.00 H new ATOM 0 HB2 ALA A 15 4.133 7.647 14.987 1.00 0.00 H new ATOM 0 HB3 ALA A 15 4.001 8.743 13.592 1.00 0.00 H new ATOM 179 N LEU A 16 4.811 5.743 11.138 1.00 0.00 N ATOM 180 CA LEU A 16 4.651 5.590 9.702 1.00 0.00 C ATOM 181 C LEU A 16 3.187 5.276 9.388 1.00 0.00 C ATOM 182 O LEU A 16 2.456 4.782 10.245 1.00 0.00 O ATOM 183 CB LEU A 16 5.633 4.549 9.161 1.00 0.00 C ATOM 184 CG LEU A 16 7.099 4.742 9.554 1.00 0.00 C ATOM 185 CD1 LEU A 16 7.933 3.517 9.177 1.00 0.00 C ATOM 186 CD2 LEU A 16 7.664 6.029 8.949 1.00 0.00 C ATOM 0 H LEU A 16 4.796 4.869 11.664 1.00 0.00 H new ATOM 0 HA LEU A 16 4.895 6.521 9.190 1.00 0.00 H new ATOM 0 HB2 LEU A 16 5.313 3.565 9.502 1.00 0.00 H new ATOM 0 HB3 LEU A 16 5.566 4.547 8.073 1.00 0.00 H new ATOM 0 HG LEU A 16 7.152 4.846 10.638 1.00 0.00 H new ATOM 0 HD11 LEU A 16 8.971 3.680 9.467 1.00 0.00 H new ATOM 0 HD12 LEU A 16 7.545 2.640 9.694 1.00 0.00 H new ATOM 0 HD13 LEU A 16 7.878 3.357 8.100 1.00 0.00 H new ATOM 0 HD21 LEU A 16 8.707 6.142 9.244 1.00 0.00 H new ATOM 0 HD22 LEU A 16 7.597 5.980 7.862 1.00 0.00 H new ATOM 0 HD23 LEU A 16 7.090 6.883 9.310 1.00 0.00 H new ATOM 198 N PRO A 17 2.792 5.584 8.123 1.00 0.00 N ATOM 199 CA PRO A 17 1.428 5.340 7.685 1.00 0.00 C ATOM 200 C PRO A 17 1.191 3.849 7.433 1.00 0.00 C ATOM 201 O PRO A 17 2.136 3.100 7.188 1.00 0.00 O ATOM 202 CB PRO A 17 1.259 6.188 6.435 1.00 0.00 C ATOM 203 CG PRO A 17 2.665 6.510 5.957 1.00 0.00 C ATOM 204 CD PRO A 17 3.630 6.170 7.081 1.00 0.00 C ATOM 0 HA PRO A 17 0.689 5.613 8.438 1.00 0.00 H new ATOM 0 HB2 PRO A 17 0.700 5.649 5.670 1.00 0.00 H new ATOM 0 HB3 PRO A 17 0.702 7.099 6.654 1.00 0.00 H new ATOM 0 HG2 PRO A 17 2.904 5.936 5.062 1.00 0.00 H new ATOM 0 HG3 PRO A 17 2.745 7.564 5.691 1.00 0.00 H new ATOM 0 HD2 PRO A 17 4.396 5.469 6.748 1.00 0.00 H new ATOM 0 HD3 PRO A 17 4.147 7.059 7.442 1.00 0.00 H new ATOM 212 N VAL A 18 -0.074 3.464 7.502 1.00 0.00 N ATOM 213 CA VAL A 18 -0.447 2.076 7.285 1.00 0.00 C ATOM 214 C VAL A 18 -0.981 1.913 5.860 1.00 0.00 C ATOM 215 O VAL A 18 -2.010 2.489 5.509 1.00 0.00 O ATOM 216 CB VAL A 18 -1.448 1.630 8.353 1.00 0.00 C ATOM 217 CG1 VAL A 18 -2.004 0.240 8.035 1.00 0.00 C ATOM 218 CG2 VAL A 18 -0.814 1.662 9.745 1.00 0.00 C ATOM 0 H VAL A 18 -0.854 4.089 7.705 1.00 0.00 H new ATOM 0 HA VAL A 18 0.423 1.427 7.383 1.00 0.00 H new ATOM 0 HB VAL A 18 -2.281 2.333 8.348 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -2.713 -0.054 8.809 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -2.509 0.262 7.069 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -1.186 -0.480 8.000 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -1.546 1.341 10.486 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.045 0.991 9.769 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -0.488 2.677 9.973 1.00 0.00 H new ATOM 228 N LEU A 19 -0.257 1.127 5.077 1.00 0.00 N ATOM 229 CA LEU A 19 -0.645 0.881 3.699 1.00 0.00 C ATOM 230 C LEU A 19 -1.284 -0.505 3.593 1.00 0.00 C ATOM 231 O LEU A 19 -0.601 -1.519 3.727 1.00 0.00 O ATOM 232 CB LEU A 19 0.549 1.081 2.763 1.00 0.00 C ATOM 233 CG LEU A 19 0.267 0.904 1.269 1.00 0.00 C ATOM 234 CD1 LEU A 19 -0.238 2.208 0.648 1.00 0.00 C ATOM 235 CD2 LEU A 19 1.497 0.360 0.540 1.00 0.00 C ATOM 0 H LEU A 19 0.597 0.652 5.371 1.00 0.00 H new ATOM 0 HA LEU A 19 -1.396 1.604 3.380 1.00 0.00 H new ATOM 0 HB2 LEU A 19 0.946 2.084 2.921 1.00 0.00 H new ATOM 0 HB3 LEU A 19 1.332 0.379 3.050 1.00 0.00 H new ATOM 0 HG LEU A 19 -0.527 0.166 1.156 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.431 2.055 -0.414 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.159 2.514 1.143 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.516 2.986 0.771 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.270 0.243 -0.520 1.00 0.00 H new ATOM 0 HD22 LEU A 19 2.328 1.056 0.659 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.771 -0.607 0.961 1.00 0.00 H new ATOM 247 N THR A 20 -2.587 -0.504 3.354 1.00 0.00 N ATOM 248 CA THR A 20 -3.326 -1.749 3.228 1.00 0.00 C ATOM 249 C THR A 20 -3.149 -2.335 1.826 1.00 0.00 C ATOM 250 O THR A 20 -3.677 -1.798 0.853 1.00 0.00 O ATOM 251 CB THR A 20 -4.786 -1.471 3.591 1.00 0.00 C ATOM 252 OG1 THR A 20 -4.715 -0.884 4.888 1.00 0.00 O ATOM 253 CG2 THR A 20 -5.590 -2.755 3.806 1.00 0.00 C ATOM 0 H THR A 20 -3.150 0.339 3.244 1.00 0.00 H new ATOM 0 HA THR A 20 -2.944 -2.506 3.913 1.00 0.00 H new ATOM 0 HB THR A 20 -5.251 -0.880 2.802 1.00 0.00 H new ATOM 0 HG1 THR A 20 -5.619 -0.670 5.200 1.00 0.00 H new ATOM 0 HG21 THR A 20 -6.619 -2.502 4.061 1.00 0.00 H new ATOM 0 HG22 THR A 20 -5.579 -3.349 2.892 1.00 0.00 H new ATOM 0 HG23 THR A 20 -5.146 -3.331 4.618 1.00 0.00 H new ATOM 261 N LEU A 21 -2.404 -3.429 1.766 1.00 0.00 N ATOM 262 CA LEU A 21 -2.151 -4.094 0.499 1.00 0.00 C ATOM 263 C LEU A 21 -3.080 -5.303 0.368 1.00 0.00 C ATOM 264 O LEU A 21 -3.073 -6.191 1.219 1.00 0.00 O ATOM 265 CB LEU A 21 -0.668 -4.441 0.363 1.00 0.00 C ATOM 266 CG LEU A 21 -0.323 -5.522 -0.664 1.00 0.00 C ATOM 267 CD1 LEU A 21 -0.895 -5.175 -2.039 1.00 0.00 C ATOM 268 CD2 LEU A 21 1.186 -5.768 -0.716 1.00 0.00 C ATOM 0 H LEU A 21 -1.967 -3.872 2.575 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.376 -3.427 -0.333 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.125 -3.533 0.101 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -0.300 -4.763 1.337 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.790 -6.455 -0.347 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.635 -5.960 -2.750 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.980 -5.091 -1.971 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.478 -4.226 -2.378 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.404 -6.541 -1.454 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.696 -4.846 -0.995 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.536 -6.093 0.264 1.00 0.00 H new ATOM 280 N PHE A 22 -3.858 -5.298 -0.705 1.00 0.00 N ATOM 281 CA PHE A 22 -4.790 -6.383 -0.958 1.00 0.00 C ATOM 282 C PHE A 22 -4.282 -7.292 -2.079 1.00 0.00 C ATOM 283 O PHE A 22 -4.432 -6.973 -3.258 1.00 0.00 O ATOM 284 CB PHE A 22 -6.111 -5.745 -1.394 1.00 0.00 C ATOM 285 CG PHE A 22 -6.836 -4.991 -0.278 1.00 0.00 C ATOM 286 CD1 PHE A 22 -7.432 -5.680 0.733 1.00 0.00 C ATOM 287 CD2 PHE A 22 -6.885 -3.632 -0.295 1.00 0.00 C ATOM 288 CE1 PHE A 22 -8.105 -4.980 1.769 1.00 0.00 C ATOM 289 CE2 PHE A 22 -7.558 -2.933 0.741 1.00 0.00 C ATOM 290 CZ PHE A 22 -8.154 -3.621 1.751 1.00 0.00 C ATOM 0 H PHE A 22 -3.862 -4.560 -1.409 1.00 0.00 H new ATOM 0 HA PHE A 22 -4.908 -6.990 -0.060 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -5.916 -5.057 -2.216 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -6.769 -6.524 -1.779 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -7.393 -6.759 0.747 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -6.412 -3.085 -1.097 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -8.578 -5.527 2.571 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -7.597 -1.854 0.727 1.00 0.00 H new ATOM 0 HZ PHE A 22 -8.666 -3.088 2.539 1.00 0.00 H new ATOM 300 N THR A 23 -3.691 -8.406 -1.672 1.00 0.00 N ATOM 301 CA THR A 23 -3.160 -9.363 -2.628 1.00 0.00 C ATOM 302 C THR A 23 -4.041 -10.613 -2.676 1.00 0.00 C ATOM 303 O THR A 23 -4.947 -10.770 -1.859 1.00 0.00 O ATOM 304 CB THR A 23 -1.708 -9.658 -2.245 1.00 0.00 C ATOM 305 OG1 THR A 23 -1.489 -10.986 -2.712 1.00 0.00 O ATOM 306 CG2 THR A 23 -1.511 -9.758 -0.731 1.00 0.00 C ATOM 0 H THR A 23 -3.568 -8.667 -0.694 1.00 0.00 H new ATOM 0 HA THR A 23 -3.169 -8.958 -3.640 1.00 0.00 H new ATOM 0 HB THR A 23 -1.061 -8.877 -2.644 1.00 0.00 H new ATOM 0 HG1 THR A 23 -0.570 -11.258 -2.506 1.00 0.00 H new ATOM 0 HG21 THR A 23 -0.464 -9.968 -0.513 1.00 0.00 H new ATOM 0 HG22 THR A 23 -1.796 -8.815 -0.264 1.00 0.00 H new ATOM 0 HG23 THR A 23 -2.132 -10.562 -0.336 1.00 0.00 H new ATOM 314 N LYS A 24 -3.745 -11.469 -3.643 1.00 0.00 N ATOM 315 CA LYS A 24 -4.499 -12.700 -3.809 1.00 0.00 C ATOM 316 C LYS A 24 -3.731 -13.643 -4.737 1.00 0.00 C ATOM 317 O LYS A 24 -2.620 -13.331 -5.163 1.00 0.00 O ATOM 318 CB LYS A 24 -5.922 -12.397 -4.281 1.00 0.00 C ATOM 319 CG LYS A 24 -5.932 -11.961 -5.748 1.00 0.00 C ATOM 320 CD LYS A 24 -7.042 -12.673 -6.524 1.00 0.00 C ATOM 321 CE LYS A 24 -6.565 -13.072 -7.921 1.00 0.00 C ATOM 322 NZ LYS A 24 -7.575 -12.702 -8.939 1.00 0.00 N ATOM 0 H LYS A 24 -2.994 -11.334 -4.319 1.00 0.00 H new ATOM 0 HA LYS A 24 -4.607 -13.212 -2.853 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -6.546 -13.282 -4.157 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -6.355 -11.612 -3.661 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -6.075 -10.882 -5.809 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -4.966 -12.181 -6.203 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -7.361 -13.561 -5.977 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -7.911 -12.019 -6.605 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -5.619 -12.579 -8.143 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -6.381 -14.146 -7.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -7.235 -12.980 -9.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -8.469 -13.192 -8.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -7.730 -11.674 -8.916 1.00 0.00 H new ATOM 385 N LEU A 29 0.612 -9.879 -10.377 1.00 0.00 N ATOM 386 CA LEU A 29 0.779 -8.464 -10.093 1.00 0.00 C ATOM 387 C LEU A 29 1.189 -8.287 -8.630 1.00 0.00 C ATOM 388 O LEU A 29 2.231 -7.701 -8.340 1.00 0.00 O ATOM 389 CB LEU A 29 -0.481 -7.687 -10.478 1.00 0.00 C ATOM 390 CG LEU A 29 -0.709 -7.477 -11.976 1.00 0.00 C ATOM 391 CD1 LEU A 29 0.115 -6.297 -12.495 1.00 0.00 C ATOM 392 CD2 LEU A 29 -0.429 -8.761 -12.759 1.00 0.00 C ATOM 0 HA LEU A 29 1.581 -8.045 -10.702 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.345 -8.210 -10.069 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.443 -6.710 -9.996 1.00 0.00 H new ATOM 0 HG LEU A 29 -1.759 -7.229 -12.131 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -0.065 -6.169 -13.562 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.176 -5.389 -11.966 1.00 0.00 H new ATOM 0 HD13 LEU A 29 1.174 -6.491 -12.326 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.599 -8.584 -13.821 1.00 0.00 H new ATOM 0 HD22 LEU A 29 0.606 -9.064 -12.603 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -1.095 -9.551 -12.412 1.00 0.00 H new ATOM 404 N CYS A 30 0.347 -8.803 -7.747 1.00 0.00 N ATOM 405 CA CYS A 30 0.608 -8.710 -6.320 1.00 0.00 C ATOM 406 C CYS A 30 2.101 -8.954 -6.088 1.00 0.00 C ATOM 407 O CYS A 30 2.730 -8.262 -5.289 1.00 0.00 O ATOM 408 CB CYS A 30 -0.260 -9.683 -5.521 1.00 0.00 C ATOM 409 SG CYS A 30 0.430 -11.374 -5.632 1.00 0.00 S ATOM 0 H CYS A 30 -0.517 -9.287 -7.992 1.00 0.00 H new ATOM 0 HA CYS A 30 0.344 -7.714 -5.964 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -0.308 -9.369 -4.478 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -1.280 -9.672 -5.904 1.00 0.00 H new ATOM 0 HG CYS A 30 -0.531 -12.243 -5.526 1.00 0.00 H new ATOM 415 N ASP A 31 2.624 -9.940 -6.801 1.00 0.00 N ATOM 416 CA ASP A 31 4.031 -10.285 -6.683 1.00 0.00 C ATOM 417 C ASP A 31 4.881 -9.052 -6.998 1.00 0.00 C ATOM 418 O ASP A 31 5.580 -8.537 -6.127 1.00 0.00 O ATOM 419 CB ASP A 31 4.413 -11.388 -7.671 1.00 0.00 C ATOM 420 CG ASP A 31 4.751 -12.738 -7.035 1.00 0.00 C ATOM 421 OD1 ASP A 31 3.921 -13.209 -6.228 1.00 0.00 O ATOM 422 OD2 ASP A 31 5.833 -13.268 -7.369 1.00 0.00 O ATOM 0 H ASP A 31 2.099 -10.511 -7.463 1.00 0.00 H new ATOM 0 HA ASP A 31 4.208 -10.636 -5.666 1.00 0.00 H new ATOM 0 HB2 ASP A 31 3.589 -11.529 -8.371 1.00 0.00 H new ATOM 0 HB3 ASP A 31 5.272 -11.052 -8.253 1.00 0.00 H new ATOM 427 N GLU A 32 4.794 -8.616 -8.246 1.00 0.00 N ATOM 428 CA GLU A 32 5.547 -7.454 -8.688 1.00 0.00 C ATOM 429 C GLU A 32 5.272 -6.263 -7.768 1.00 0.00 C ATOM 430 O GLU A 32 6.202 -5.619 -7.285 1.00 0.00 O ATOM 431 CB GLU A 32 5.221 -7.110 -10.142 1.00 0.00 C ATOM 432 CG GLU A 32 6.471 -6.632 -10.885 1.00 0.00 C ATOM 433 CD GLU A 32 6.847 -7.603 -12.006 1.00 0.00 C ATOM 434 OE1 GLU A 32 5.912 -8.068 -12.693 1.00 0.00 O ATOM 435 OE2 GLU A 32 8.062 -7.858 -12.151 1.00 0.00 O ATOM 0 H GLU A 32 4.213 -9.047 -8.966 1.00 0.00 H new ATOM 0 HA GLU A 32 6.609 -7.692 -8.635 1.00 0.00 H new ATOM 0 HB2 GLU A 32 4.808 -7.986 -10.643 1.00 0.00 H new ATOM 0 HB3 GLU A 32 4.456 -6.334 -10.173 1.00 0.00 H new ATOM 0 HG2 GLU A 32 6.294 -5.641 -11.302 1.00 0.00 H new ATOM 0 HG3 GLU A 32 7.301 -6.540 -10.185 1.00 0.00 H new ATOM 442 N ALA A 33 3.990 -6.006 -7.553 1.00 0.00 N ATOM 443 CA ALA A 33 3.581 -4.903 -6.699 1.00 0.00 C ATOM 444 C ALA A 33 4.481 -4.860 -5.463 1.00 0.00 C ATOM 445 O ALA A 33 5.197 -3.884 -5.246 1.00 0.00 O ATOM 446 CB ALA A 33 2.102 -5.058 -6.339 1.00 0.00 C ATOM 0 H ALA A 33 3.221 -6.542 -7.955 1.00 0.00 H new ATOM 0 HA ALA A 33 3.692 -3.952 -7.220 1.00 0.00 H new ATOM 0 HB1 ALA A 33 1.795 -4.231 -5.699 1.00 0.00 H new ATOM 0 HB2 ALA A 33 1.503 -5.053 -7.250 1.00 0.00 H new ATOM 0 HB3 ALA A 33 1.953 -6.000 -5.812 1.00 0.00 H new ATOM 452 N LYS A 34 4.415 -5.931 -4.685 1.00 0.00 N ATOM 453 CA LYS A 34 5.215 -6.027 -3.476 1.00 0.00 C ATOM 454 C LYS A 34 6.654 -5.612 -3.787 1.00 0.00 C ATOM 455 O LYS A 34 7.212 -4.744 -3.117 1.00 0.00 O ATOM 456 CB LYS A 34 5.097 -7.425 -2.865 1.00 0.00 C ATOM 457 CG LYS A 34 3.650 -7.733 -2.476 1.00 0.00 C ATOM 458 CD LYS A 34 3.377 -9.238 -2.523 1.00 0.00 C ATOM 459 CE LYS A 34 2.392 -9.651 -1.428 1.00 0.00 C ATOM 460 NZ LYS A 34 3.014 -10.636 -0.515 1.00 0.00 N ATOM 0 H LYS A 34 3.820 -6.739 -4.868 1.00 0.00 H new ATOM 0 HA LYS A 34 4.842 -5.340 -2.717 1.00 0.00 H new ATOM 0 HB2 LYS A 34 5.452 -8.169 -3.579 1.00 0.00 H new ATOM 0 HB3 LYS A 34 5.737 -7.497 -1.985 1.00 0.00 H new ATOM 0 HG2 LYS A 34 3.451 -7.355 -1.473 1.00 0.00 H new ATOM 0 HG3 LYS A 34 2.970 -7.215 -3.152 1.00 0.00 H new ATOM 0 HD2 LYS A 34 2.975 -9.508 -3.499 1.00 0.00 H new ATOM 0 HD3 LYS A 34 4.312 -9.785 -2.401 1.00 0.00 H new ATOM 0 HE2 LYS A 34 2.077 -8.773 -0.865 1.00 0.00 H new ATOM 0 HE3 LYS A 34 1.497 -10.079 -1.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 2.560 -11.563 -0.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 4.029 -10.715 -0.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 2.891 -10.323 0.469 1.00 0.00 H new ATOM 474 N GLU A 35 7.214 -6.251 -4.804 1.00 0.00 N ATOM 475 CA GLU A 35 8.577 -5.958 -5.212 1.00 0.00 C ATOM 476 C GLU A 35 8.746 -4.458 -5.464 1.00 0.00 C ATOM 477 O GLU A 35 9.847 -3.925 -5.339 1.00 0.00 O ATOM 478 CB GLU A 35 8.965 -6.769 -6.451 1.00 0.00 C ATOM 479 CG GLU A 35 8.477 -8.214 -6.335 1.00 0.00 C ATOM 480 CD GLU A 35 9.564 -9.197 -6.773 1.00 0.00 C ATOM 481 OE1 GLU A 35 10.048 -9.036 -7.914 1.00 0.00 O ATOM 482 OE2 GLU A 35 9.887 -10.087 -5.957 1.00 0.00 O ATOM 0 H GLU A 35 6.748 -6.970 -5.357 1.00 0.00 H new ATOM 0 HA GLU A 35 9.247 -6.248 -4.403 1.00 0.00 H new ATOM 0 HB2 GLU A 35 8.537 -6.307 -7.341 1.00 0.00 H new ATOM 0 HB3 GLU A 35 10.048 -6.756 -6.574 1.00 0.00 H new ATOM 0 HG2 GLU A 35 8.187 -8.422 -5.305 1.00 0.00 H new ATOM 0 HG3 GLU A 35 7.588 -8.352 -6.950 1.00 0.00 H new ATOM 489 N VAL A 36 7.639 -3.821 -5.813 1.00 0.00 N ATOM 490 CA VAL A 36 7.650 -2.394 -6.083 1.00 0.00 C ATOM 491 C VAL A 36 7.568 -1.628 -4.761 1.00 0.00 C ATOM 492 O VAL A 36 7.920 -0.451 -4.698 1.00 0.00 O ATOM 493 CB VAL A 36 6.522 -2.035 -7.052 1.00 0.00 C ATOM 494 CG1 VAL A 36 6.711 -0.626 -7.617 1.00 0.00 C ATOM 495 CG2 VAL A 36 6.417 -3.067 -8.177 1.00 0.00 C ATOM 0 H VAL A 36 6.727 -4.267 -5.915 1.00 0.00 H new ATOM 0 HA VAL A 36 8.582 -2.105 -6.569 1.00 0.00 H new ATOM 0 HB VAL A 36 5.585 -2.049 -6.495 1.00 0.00 H new ATOM 0 HG11 VAL A 36 5.895 -0.397 -8.303 1.00 0.00 H new ATOM 0 HG12 VAL A 36 6.713 0.096 -6.801 1.00 0.00 H new ATOM 0 HG13 VAL A 36 7.660 -0.572 -8.151 1.00 0.00 H new ATOM 0 HG21 VAL A 36 5.608 -2.788 -8.852 1.00 0.00 H new ATOM 0 HG22 VAL A 36 7.356 -3.099 -8.730 1.00 0.00 H new ATOM 0 HG23 VAL A 36 6.213 -4.050 -7.752 1.00 0.00 H new ATOM 505 N LEU A 37 7.101 -2.328 -3.737 1.00 0.00 N ATOM 506 CA LEU A 37 6.969 -1.729 -2.420 1.00 0.00 C ATOM 507 C LEU A 37 8.143 -2.168 -1.544 1.00 0.00 C ATOM 508 O LEU A 37 8.249 -1.757 -0.389 1.00 0.00 O ATOM 509 CB LEU A 37 5.599 -2.052 -1.820 1.00 0.00 C ATOM 510 CG LEU A 37 4.390 -1.471 -2.555 1.00 0.00 C ATOM 511 CD1 LEU A 37 3.142 -1.504 -1.671 1.00 0.00 C ATOM 512 CD2 LEU A 37 4.689 -0.062 -3.073 1.00 0.00 C ATOM 0 H LEU A 37 6.810 -3.304 -3.793 1.00 0.00 H new ATOM 0 HA LEU A 37 7.013 -0.642 -2.490 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.488 -3.136 -1.780 1.00 0.00 H new ATOM 0 HB3 LEU A 37 5.581 -1.692 -0.791 1.00 0.00 H new ATOM 0 HG LEU A 37 4.185 -2.097 -3.423 1.00 0.00 H new ATOM 0 HD11 LEU A 37 2.297 -1.085 -2.218 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.920 -2.534 -1.394 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.318 -0.916 -0.770 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.813 0.328 -3.592 1.00 0.00 H new ATOM 0 HD22 LEU A 37 4.934 0.590 -2.234 1.00 0.00 H new ATOM 0 HD23 LEU A 37 5.532 -0.099 -3.762 1.00 0.00 H new ATOM 524 N GLN A 38 8.996 -2.998 -2.126 1.00 0.00 N ATOM 525 CA GLN A 38 10.159 -3.498 -1.413 1.00 0.00 C ATOM 526 C GLN A 38 10.919 -2.341 -0.760 1.00 0.00 C ATOM 527 O GLN A 38 11.203 -2.377 0.436 1.00 0.00 O ATOM 528 CB GLN A 38 11.073 -4.297 -2.345 1.00 0.00 C ATOM 529 CG GLN A 38 11.050 -5.785 -1.991 1.00 0.00 C ATOM 530 CD GLN A 38 12.442 -6.273 -1.584 1.00 0.00 C ATOM 531 OE1 GLN A 38 12.616 -7.005 -0.623 1.00 0.00 O ATOM 532 NE2 GLN A 38 13.421 -5.829 -2.367 1.00 0.00 N ATOM 0 H GLN A 38 8.905 -3.337 -3.084 1.00 0.00 H new ATOM 0 HA GLN A 38 9.817 -4.172 -0.628 1.00 0.00 H new ATOM 0 HB2 GLN A 38 10.754 -4.160 -3.378 1.00 0.00 H new ATOM 0 HB3 GLN A 38 12.092 -3.918 -2.273 1.00 0.00 H new ATOM 0 HG2 GLN A 38 10.347 -5.958 -1.176 1.00 0.00 H new ATOM 0 HG3 GLN A 38 10.694 -6.360 -2.846 1.00 0.00 H new ATOM 0 HE21 GLN A 38 13.206 -5.219 -3.156 1.00 0.00 H new ATOM 0 HE22 GLN A 38 14.387 -6.099 -2.179 1.00 0.00 H new ATOM 541 N PRO A 39 11.235 -1.317 -1.596 1.00 0.00 N ATOM 542 CA PRO A 39 11.957 -0.152 -1.113 1.00 0.00 C ATOM 543 C PRO A 39 11.042 0.757 -0.289 1.00 0.00 C ATOM 544 O PRO A 39 11.470 1.807 0.188 1.00 0.00 O ATOM 545 CB PRO A 39 12.496 0.524 -2.363 1.00 0.00 C ATOM 546 CG PRO A 39 11.672 -0.020 -3.519 1.00 0.00 C ATOM 547 CD PRO A 39 10.916 -1.240 -3.019 1.00 0.00 C ATOM 0 HA PRO A 39 12.770 -0.412 -0.436 1.00 0.00 H new ATOM 0 HB2 PRO A 39 12.402 1.608 -2.292 1.00 0.00 H new ATOM 0 HB3 PRO A 39 13.555 0.304 -2.500 1.00 0.00 H new ATOM 0 HG2 PRO A 39 10.977 0.737 -3.882 1.00 0.00 H new ATOM 0 HG3 PRO A 39 12.318 -0.287 -4.355 1.00 0.00 H new ATOM 0 HD2 PRO A 39 9.843 -1.134 -3.179 1.00 0.00 H new ATOM 0 HD3 PRO A 39 11.229 -2.142 -3.544 1.00 0.00 H new ATOM 555 N TYR A 40 9.799 0.320 -0.148 1.00 0.00 N ATOM 556 CA TYR A 40 8.820 1.081 0.609 1.00 0.00 C ATOM 557 C TYR A 40 8.289 0.268 1.792 1.00 0.00 C ATOM 558 O TYR A 40 7.297 0.645 2.414 1.00 0.00 O ATOM 559 CB TYR A 40 7.668 1.366 -0.356 1.00 0.00 C ATOM 560 CG TYR A 40 8.063 2.223 -1.560 1.00 0.00 C ATOM 561 CD1 TYR A 40 8.515 1.622 -2.718 1.00 0.00 C ATOM 562 CD2 TYR A 40 7.969 3.599 -1.489 1.00 0.00 C ATOM 563 CE1 TYR A 40 8.886 2.429 -3.851 1.00 0.00 C ATOM 564 CE2 TYR A 40 8.341 4.406 -2.622 1.00 0.00 C ATOM 565 CZ TYR A 40 8.781 3.781 -3.747 1.00 0.00 C ATOM 566 OH TYR A 40 9.133 4.543 -4.817 1.00 0.00 O ATOM 0 H TYR A 40 9.448 -0.551 -0.545 1.00 0.00 H new ATOM 0 HA TYR A 40 9.267 1.992 1.007 1.00 0.00 H new ATOM 0 HB2 TYR A 40 7.265 0.419 -0.714 1.00 0.00 H new ATOM 0 HB3 TYR A 40 6.868 1.868 0.188 1.00 0.00 H new ATOM 0 HD1 TYR A 40 8.590 0.546 -2.774 1.00 0.00 H new ATOM 0 HD2 TYR A 40 7.616 4.070 -0.583 1.00 0.00 H new ATOM 0 HE1 TYR A 40 9.240 1.971 -4.763 1.00 0.00 H new ATOM 0 HE2 TYR A 40 8.272 5.483 -2.579 1.00 0.00 H new ATOM 0 HH TYR A 40 9.429 3.962 -5.549 1.00 0.00 H new ATOM 576 N LYS A 41 8.973 -0.833 2.066 1.00 0.00 N ATOM 577 CA LYS A 41 8.582 -1.703 3.162 1.00 0.00 C ATOM 578 C LYS A 41 8.828 -0.984 4.490 1.00 0.00 C ATOM 579 O LYS A 41 7.924 -0.875 5.318 1.00 0.00 O ATOM 580 CB LYS A 41 9.293 -3.054 3.054 1.00 0.00 C ATOM 581 CG LYS A 41 8.764 -3.857 1.864 1.00 0.00 C ATOM 582 CD LYS A 41 9.412 -5.242 1.806 1.00 0.00 C ATOM 583 CE LYS A 41 8.632 -6.249 2.653 1.00 0.00 C ATOM 584 NZ LYS A 41 9.447 -6.700 3.803 1.00 0.00 N ATOM 0 H LYS A 41 9.795 -1.142 1.548 1.00 0.00 H new ATOM 0 HA LYS A 41 7.516 -1.925 3.111 1.00 0.00 H new ATOM 0 HB2 LYS A 41 10.366 -2.897 2.943 1.00 0.00 H new ATOM 0 HB3 LYS A 41 9.147 -3.621 3.974 1.00 0.00 H new ATOM 0 HG2 LYS A 41 7.682 -3.961 1.943 1.00 0.00 H new ATOM 0 HG3 LYS A 41 8.966 -3.318 0.938 1.00 0.00 H new ATOM 0 HD2 LYS A 41 9.452 -5.585 0.772 1.00 0.00 H new ATOM 0 HD3 LYS A 41 10.440 -5.181 2.162 1.00 0.00 H new ATOM 0 HE2 LYS A 41 7.708 -5.794 3.010 1.00 0.00 H new ATOM 0 HE3 LYS A 41 8.350 -7.106 2.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 8.903 -7.383 4.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 10.317 -7.153 3.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 9.695 -5.882 4.395 1.00 0.00 H new ATOM 598 N ASP A 42 10.055 -0.512 4.653 1.00 0.00 N ATOM 599 CA ASP A 42 10.431 0.193 5.866 1.00 0.00 C ATOM 600 C ASP A 42 9.840 1.604 5.835 1.00 0.00 C ATOM 601 O ASP A 42 9.811 2.292 6.854 1.00 0.00 O ATOM 602 CB ASP A 42 11.952 0.320 5.981 1.00 0.00 C ATOM 603 CG ASP A 42 12.686 -0.981 6.307 1.00 0.00 C ATOM 604 OD1 ASP A 42 12.454 -1.964 5.570 1.00 0.00 O ATOM 605 OD2 ASP A 42 13.464 -0.965 7.285 1.00 0.00 O ATOM 0 H ASP A 42 10.802 -0.604 3.965 1.00 0.00 H new ATOM 0 HA ASP A 42 10.051 -0.373 6.716 1.00 0.00 H new ATOM 0 HB2 ASP A 42 12.341 0.713 5.042 1.00 0.00 H new ATOM 0 HB3 ASP A 42 12.183 1.053 6.754 1.00 0.00 H new ATOM 610 N ARG A 43 9.383 1.994 4.653 1.00 0.00 N ATOM 611 CA ARG A 43 8.794 3.310 4.476 1.00 0.00 C ATOM 612 C ARG A 43 7.508 3.431 5.295 1.00 0.00 C ATOM 613 O ARG A 43 7.268 4.455 5.933 1.00 0.00 O ATOM 614 CB ARG A 43 8.480 3.578 3.003 1.00 0.00 C ATOM 615 CG ARG A 43 9.706 4.129 2.272 1.00 0.00 C ATOM 616 CD ARG A 43 9.946 5.597 2.631 1.00 0.00 C ATOM 617 NE ARG A 43 10.824 5.690 3.819 1.00 0.00 N ATOM 618 CZ ARG A 43 10.918 6.775 4.600 1.00 0.00 C ATOM 619 NH1 ARG A 43 10.189 7.865 4.323 1.00 0.00 N ATOM 620 NH2 ARG A 43 11.741 6.770 5.657 1.00 0.00 N ATOM 0 H ARG A 43 9.409 1.421 3.809 1.00 0.00 H new ATOM 0 HA ARG A 43 9.519 4.047 4.822 1.00 0.00 H new ATOM 0 HB2 ARG A 43 8.151 2.656 2.524 1.00 0.00 H new ATOM 0 HB3 ARG A 43 7.657 4.288 2.926 1.00 0.00 H new ATOM 0 HG2 ARG A 43 10.585 3.539 2.533 1.00 0.00 H new ATOM 0 HG3 ARG A 43 9.565 4.033 1.195 1.00 0.00 H new ATOM 0 HD2 ARG A 43 10.404 6.116 1.789 1.00 0.00 H new ATOM 0 HD3 ARG A 43 8.995 6.091 2.831 1.00 0.00 H new ATOM 0 HE ARG A 43 11.393 4.878 4.058 1.00 0.00 H new ATOM 0 HH11 ARG A 43 9.563 7.869 3.518 1.00 0.00 H new ATOM 0 HH12 ARG A 43 10.260 8.691 4.917 1.00 0.00 H new ATOM 0 HH21 ARG A 43 12.296 5.940 5.867 1.00 0.00 H new ATOM 0 HH22 ARG A 43 11.813 7.596 6.251 1.00 0.00 H new ATOM 634 N PHE A 44 6.714 2.371 5.251 1.00 0.00 N ATOM 635 CA PHE A 44 5.458 2.346 5.981 1.00 0.00 C ATOM 636 C PHE A 44 5.104 0.922 6.414 1.00 0.00 C ATOM 637 O PHE A 44 5.906 0.003 6.252 1.00 0.00 O ATOM 638 CB PHE A 44 4.377 2.860 5.029 1.00 0.00 C ATOM 639 CG PHE A 44 4.453 2.266 3.621 1.00 0.00 C ATOM 640 CD1 PHE A 44 4.342 0.922 3.443 1.00 0.00 C ATOM 641 CD2 PHE A 44 4.632 3.081 2.547 1.00 0.00 C ATOM 642 CE1 PHE A 44 4.413 0.370 2.137 1.00 0.00 C ATOM 643 CE2 PHE A 44 4.702 2.529 1.241 1.00 0.00 C ATOM 644 CZ PHE A 44 4.592 1.185 1.063 1.00 0.00 C ATOM 0 H PHE A 44 6.916 1.523 4.721 1.00 0.00 H new ATOM 0 HA PHE A 44 5.537 2.961 6.878 1.00 0.00 H new ATOM 0 HB2 PHE A 44 3.398 2.638 5.454 1.00 0.00 H new ATOM 0 HB3 PHE A 44 4.455 3.945 4.959 1.00 0.00 H new ATOM 0 HD1 PHE A 44 4.200 0.275 4.296 1.00 0.00 H new ATOM 0 HD2 PHE A 44 4.721 4.148 2.688 1.00 0.00 H new ATOM 0 HE1 PHE A 44 4.325 -0.697 1.996 1.00 0.00 H new ATOM 0 HE2 PHE A 44 4.843 3.177 0.388 1.00 0.00 H new ATOM 0 HZ PHE A 44 4.647 0.765 0.069 1.00 0.00 H new ATOM 654 N ILE A 45 3.903 0.784 6.957 1.00 0.00 N ATOM 655 CA ILE A 45 3.434 -0.513 7.414 1.00 0.00 C ATOM 656 C ILE A 45 2.525 -1.127 6.347 1.00 0.00 C ATOM 657 O ILE A 45 1.345 -0.791 6.264 1.00 0.00 O ATOM 658 CB ILE A 45 2.772 -0.389 8.788 1.00 0.00 C ATOM 659 CG1 ILE A 45 3.770 0.113 9.834 1.00 0.00 C ATOM 660 CG2 ILE A 45 2.121 -1.709 9.205 1.00 0.00 C ATOM 661 CD1 ILE A 45 3.087 1.038 10.844 1.00 0.00 C ATOM 0 H ILE A 45 3.241 1.549 7.091 1.00 0.00 H new ATOM 0 HA ILE A 45 4.273 -1.195 7.550 1.00 0.00 H new ATOM 0 HB ILE A 45 1.977 0.354 8.718 1.00 0.00 H new ATOM 0 HG12 ILE A 45 4.214 -0.735 10.355 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.583 0.645 9.340 1.00 0.00 H new ATOM 0 HG21 ILE A 45 1.658 -1.593 10.185 1.00 0.00 H new ATOM 0 HG22 ILE A 45 1.360 -1.986 8.475 1.00 0.00 H new ATOM 0 HG23 ILE A 45 2.880 -2.490 9.253 1.00 0.00 H new ATOM 0 HD11 ILE A 45 3.818 1.381 11.576 1.00 0.00 H new ATOM 0 HD12 ILE A 45 2.665 1.897 10.323 1.00 0.00 H new ATOM 0 HD13 ILE A 45 2.290 0.496 11.353 1.00 0.00 H new ATOM 673 N LEU A 46 3.110 -2.017 5.559 1.00 0.00 N ATOM 674 CA LEU A 46 2.368 -2.681 4.501 1.00 0.00 C ATOM 675 C LEU A 46 1.454 -3.744 5.115 1.00 0.00 C ATOM 676 O LEU A 46 1.924 -4.789 5.562 1.00 0.00 O ATOM 677 CB LEU A 46 3.323 -3.230 3.440 1.00 0.00 C ATOM 678 CG LEU A 46 2.668 -3.828 2.192 1.00 0.00 C ATOM 679 CD1 LEU A 46 1.895 -2.761 1.415 1.00 0.00 C ATOM 680 CD2 LEU A 46 3.703 -4.538 1.317 1.00 0.00 C ATOM 0 H LEU A 46 4.089 -2.294 5.632 1.00 0.00 H new ATOM 0 HA LEU A 46 1.726 -1.969 3.981 1.00 0.00 H new ATOM 0 HB2 LEU A 46 3.988 -2.425 3.127 1.00 0.00 H new ATOM 0 HB3 LEU A 46 3.946 -3.996 3.902 1.00 0.00 H new ATOM 0 HG LEU A 46 1.946 -4.580 2.511 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.439 -3.212 0.533 1.00 0.00 H new ATOM 0 HD12 LEU A 46 1.116 -2.340 2.051 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.578 -1.970 1.106 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.212 -4.954 0.437 1.00 0.00 H new ATOM 0 HD22 LEU A 46 4.465 -3.825 1.004 1.00 0.00 H new ATOM 0 HD23 LEU A 46 4.170 -5.342 1.886 1.00 0.00 H new ATOM 692 N GLN A 47 0.164 -3.441 5.116 1.00 0.00 N ATOM 693 CA GLN A 47 -0.820 -4.357 5.667 1.00 0.00 C ATOM 694 C GLN A 47 -1.392 -5.248 4.563 1.00 0.00 C ATOM 695 O GLN A 47 -2.299 -4.840 3.839 1.00 0.00 O ATOM 696 CB GLN A 47 -1.933 -3.596 6.390 1.00 0.00 C ATOM 697 CG GLN A 47 -2.528 -4.438 7.520 1.00 0.00 C ATOM 698 CD GLN A 47 -3.874 -3.872 7.976 1.00 0.00 C ATOM 699 OE1 GLN A 47 -4.768 -3.614 7.186 1.00 0.00 O ATOM 700 NE2 GLN A 47 -3.969 -3.692 9.290 1.00 0.00 N ATOM 0 H GLN A 47 -0.222 -2.574 4.744 1.00 0.00 H new ATOM 0 HA GLN A 47 -0.325 -4.994 6.400 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -1.538 -2.664 6.795 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -2.716 -3.328 5.680 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -2.658 -5.466 7.182 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -1.836 -4.464 8.362 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -3.183 -3.929 9.895 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -4.828 -3.317 9.693 1.00 0.00 H new ATOM 709 N GLU A 48 -0.840 -6.449 4.469 1.00 0.00 N ATOM 710 CA GLU A 48 -1.284 -7.401 3.466 1.00 0.00 C ATOM 711 C GLU A 48 -2.597 -8.056 3.900 1.00 0.00 C ATOM 712 O GLU A 48 -2.609 -8.893 4.802 1.00 0.00 O ATOM 713 CB GLU A 48 -0.209 -8.455 3.196 1.00 0.00 C ATOM 714 CG GLU A 48 0.599 -8.106 1.944 1.00 0.00 C ATOM 715 CD GLU A 48 2.093 -8.350 2.169 1.00 0.00 C ATOM 716 OE1 GLU A 48 2.562 -8.011 3.277 1.00 0.00 O ATOM 717 OE2 GLU A 48 2.731 -8.869 1.229 1.00 0.00 O ATOM 0 H GLU A 48 -0.089 -6.784 5.072 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.460 -6.862 2.535 1.00 0.00 H new ATOM 0 HB2 GLU A 48 0.458 -8.528 4.055 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -0.676 -9.432 3.071 1.00 0.00 H new ATOM 0 HG2 GLU A 48 0.251 -8.707 1.104 1.00 0.00 H new ATOM 0 HG3 GLU A 48 0.433 -7.062 1.679 1.00 0.00 H new ATOM 724 N VAL A 49 -3.671 -7.650 3.239 1.00 0.00 N ATOM 725 CA VAL A 49 -4.986 -8.187 3.546 1.00 0.00 C ATOM 726 C VAL A 49 -5.297 -9.340 2.590 1.00 0.00 C ATOM 727 O VAL A 49 -5.168 -9.196 1.375 1.00 0.00 O ATOM 728 CB VAL A 49 -6.031 -7.071 3.496 1.00 0.00 C ATOM 729 CG1 VAL A 49 -7.444 -7.635 3.665 1.00 0.00 C ATOM 730 CG2 VAL A 49 -5.739 -5.999 4.548 1.00 0.00 C ATOM 0 H VAL A 49 -3.658 -6.956 2.492 1.00 0.00 H new ATOM 0 HA VAL A 49 -5.007 -8.590 4.559 1.00 0.00 H new ATOM 0 HB VAL A 49 -5.973 -6.601 2.514 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -8.168 -6.821 3.626 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -7.651 -8.344 2.863 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -7.521 -8.142 4.627 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -6.497 -5.217 4.491 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -5.756 -6.449 5.541 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -4.756 -5.566 4.363 1.00 0.00 H new ATOM 740 N ASP A 50 -5.699 -10.459 3.174 1.00 0.00 N ATOM 741 CA ASP A 50 -6.029 -11.637 2.389 1.00 0.00 C ATOM 742 C ASP A 50 -7.502 -11.575 1.980 1.00 0.00 C ATOM 743 O ASP A 50 -8.387 -11.843 2.791 1.00 0.00 O ATOM 744 CB ASP A 50 -5.817 -12.916 3.200 1.00 0.00 C ATOM 745 CG ASP A 50 -4.388 -13.463 3.185 1.00 0.00 C ATOM 746 OD1 ASP A 50 -3.475 -12.654 2.913 1.00 0.00 O ATOM 747 OD2 ASP A 50 -4.242 -14.676 3.445 1.00 0.00 O ATOM 0 H ASP A 50 -5.804 -10.575 4.182 1.00 0.00 H new ATOM 0 HA ASP A 50 -5.379 -11.653 1.514 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -6.106 -12.725 4.234 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -6.488 -13.685 2.819 1.00 0.00 H new ATOM 752 N ILE A 51 -7.719 -11.220 0.722 1.00 0.00 N ATOM 753 CA ILE A 51 -9.070 -11.119 0.195 1.00 0.00 C ATOM 754 C ILE A 51 -9.554 -12.509 -0.222 1.00 0.00 C ATOM 755 O ILE A 51 -10.746 -12.713 -0.449 1.00 0.00 O ATOM 756 CB ILE A 51 -9.131 -10.083 -0.929 1.00 0.00 C ATOM 757 CG1 ILE A 51 -8.200 -10.469 -2.081 1.00 0.00 C ATOM 758 CG2 ILE A 51 -8.834 -8.680 -0.398 1.00 0.00 C ATOM 759 CD1 ILE A 51 -8.645 -9.811 -3.389 1.00 0.00 C ATOM 0 H ILE A 51 -6.982 -10.999 0.052 1.00 0.00 H new ATOM 0 HA ILE A 51 -9.754 -10.760 0.964 1.00 0.00 H new ATOM 0 HB ILE A 51 -10.146 -10.069 -1.326 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -7.180 -10.166 -1.846 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -8.192 -11.553 -2.199 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -8.884 -7.963 -1.217 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -9.570 -8.415 0.361 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.836 -8.661 0.041 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -7.967 -10.101 -4.191 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -9.657 -10.135 -3.634 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -8.629 -8.727 -3.275 1.00 0.00 H new ATOM 771 N THR A 52 -8.605 -13.430 -0.311 1.00 0.00 N ATOM 772 CA THR A 52 -8.921 -14.794 -0.698 1.00 0.00 C ATOM 773 C THR A 52 -9.616 -15.527 0.451 1.00 0.00 C ATOM 774 O THR A 52 -10.039 -16.671 0.297 1.00 0.00 O ATOM 775 CB THR A 52 -7.624 -15.469 -1.152 1.00 0.00 C ATOM 776 OG1 THR A 52 -6.654 -15.027 -0.206 1.00 0.00 O ATOM 777 CG2 THR A 52 -7.118 -14.923 -2.489 1.00 0.00 C ATOM 0 H THR A 52 -7.618 -13.258 -0.122 1.00 0.00 H new ATOM 0 HA THR A 52 -9.625 -14.816 -1.530 1.00 0.00 H new ATOM 0 HB THR A 52 -7.783 -16.544 -1.236 1.00 0.00 H new ATOM 0 HG1 THR A 52 -5.782 -15.419 -0.424 1.00 0.00 H new ATOM 0 HG21 THR A 52 -6.196 -15.435 -2.766 1.00 0.00 H new ATOM 0 HG22 THR A 52 -7.871 -15.091 -3.259 1.00 0.00 H new ATOM 0 HG23 THR A 52 -6.926 -13.854 -2.396 1.00 0.00 H new ATOM 785 N LEU A 53 -9.713 -14.836 1.578 1.00 0.00 N ATOM 786 CA LEU A 53 -10.350 -15.407 2.753 1.00 0.00 C ATOM 787 C LEU A 53 -11.866 -15.235 2.639 1.00 0.00 C ATOM 788 O LEU A 53 -12.344 -14.383 1.892 1.00 0.00 O ATOM 789 CB LEU A 53 -9.757 -14.807 4.029 1.00 0.00 C ATOM 790 CG LEU A 53 -8.381 -15.333 4.441 1.00 0.00 C ATOM 791 CD1 LEU A 53 -7.849 -14.580 5.662 1.00 0.00 C ATOM 792 CD2 LEU A 53 -8.418 -16.845 4.671 1.00 0.00 C ATOM 0 H LEU A 53 -9.361 -13.887 1.702 1.00 0.00 H new ATOM 0 HA LEU A 53 -10.153 -16.478 2.811 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -9.687 -13.727 3.901 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -10.453 -14.986 4.849 1.00 0.00 H new ATOM 0 HG LEU A 53 -7.686 -15.149 3.622 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -6.870 -14.974 5.934 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -7.761 -13.520 5.426 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -8.537 -14.710 6.498 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -7.427 -17.193 4.963 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -9.131 -17.075 5.463 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -8.722 -17.346 3.752 1.00 0.00 H new ATOM 804 N PRO A 54 -12.600 -16.080 3.412 1.00 0.00 N ATOM 805 CA PRO A 54 -14.052 -16.030 3.406 1.00 0.00 C ATOM 806 C PRO A 54 -14.562 -14.817 4.187 1.00 0.00 C ATOM 807 O PRO A 54 -15.572 -14.218 3.821 1.00 0.00 O ATOM 808 CB PRO A 54 -14.494 -17.353 4.008 1.00 0.00 C ATOM 809 CG PRO A 54 -13.286 -17.897 4.753 1.00 0.00 C ATOM 810 CD PRO A 54 -12.069 -17.102 4.309 1.00 0.00 C ATOM 0 HA PRO A 54 -14.464 -15.906 2.405 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -15.338 -17.212 4.683 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -14.819 -18.046 3.232 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -13.429 -17.807 5.830 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -13.150 -18.957 4.537 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -11.557 -16.654 5.160 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -11.345 -17.738 3.800 1.00 0.00 H new ATOM 818 N GLU A 55 -13.840 -14.491 5.249 1.00 0.00 N ATOM 819 CA GLU A 55 -14.207 -13.361 6.085 1.00 0.00 C ATOM 820 C GLU A 55 -13.803 -12.049 5.411 1.00 0.00 C ATOM 821 O GLU A 55 -14.221 -10.973 5.837 1.00 0.00 O ATOM 822 CB GLU A 55 -13.578 -13.480 7.475 1.00 0.00 C ATOM 823 CG GLU A 55 -12.054 -13.369 7.398 1.00 0.00 C ATOM 824 CD GLU A 55 -11.406 -13.802 8.715 1.00 0.00 C ATOM 825 OE1 GLU A 55 -11.525 -15.004 9.037 1.00 0.00 O ATOM 826 OE2 GLU A 55 -10.807 -12.922 9.369 1.00 0.00 O ATOM 0 H GLU A 55 -13.003 -14.990 5.550 1.00 0.00 H new ATOM 0 HA GLU A 55 -15.290 -13.364 6.211 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -13.971 -12.698 8.124 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -13.855 -14.434 7.923 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -11.681 -13.990 6.584 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -11.772 -12.341 7.170 1.00 0.00 H new ATOM 833 N ASN A 56 -12.994 -12.180 4.369 1.00 0.00 N ATOM 834 CA ASN A 56 -12.529 -11.018 3.632 1.00 0.00 C ATOM 835 C ASN A 56 -13.077 -11.072 2.204 1.00 0.00 C ATOM 836 O ASN A 56 -12.720 -10.245 1.367 1.00 0.00 O ATOM 837 CB ASN A 56 -11.001 -10.992 3.551 1.00 0.00 C ATOM 838 CG ASN A 56 -10.382 -10.812 4.938 1.00 0.00 C ATOM 839 OD1 ASN A 56 -10.913 -10.131 5.800 1.00 0.00 O ATOM 840 ND2 ASN A 56 -9.231 -11.458 5.105 1.00 0.00 N ATOM 0 H ASN A 56 -12.649 -13.074 4.018 1.00 0.00 H new ATOM 0 HA ASN A 56 -12.878 -10.127 4.153 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -10.641 -11.919 3.106 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -10.682 -10.180 2.898 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -8.738 -11.400 5.996 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -8.841 -12.011 4.342 1.00 0.00 H new ATOM 847 N SER A 57 -13.936 -12.054 1.971 1.00 0.00 N ATOM 848 CA SER A 57 -14.536 -12.226 0.659 1.00 0.00 C ATOM 849 C SER A 57 -15.075 -10.888 0.150 1.00 0.00 C ATOM 850 O SER A 57 -15.119 -10.651 -1.056 1.00 0.00 O ATOM 851 CB SER A 57 -15.656 -13.269 0.699 1.00 0.00 C ATOM 852 OG SER A 57 -15.534 -14.223 -0.353 1.00 0.00 O ATOM 0 H SER A 57 -14.230 -12.738 2.668 1.00 0.00 H new ATOM 0 HA SER A 57 -13.766 -12.584 -0.025 1.00 0.00 H new ATOM 0 HB2 SER A 57 -15.638 -13.784 1.660 1.00 0.00 H new ATOM 0 HB3 SER A 57 -16.621 -12.768 0.624 1.00 0.00 H new ATOM 0 HG SER A 57 -16.266 -14.872 -0.292 1.00 0.00 H new ATOM 858 N THR A 58 -15.472 -10.048 1.095 1.00 0.00 N ATOM 859 CA THR A 58 -16.006 -8.740 0.757 1.00 0.00 C ATOM 860 C THR A 58 -14.925 -7.873 0.110 1.00 0.00 C ATOM 861 O THR A 58 -15.170 -7.222 -0.904 1.00 0.00 O ATOM 862 CB THR A 58 -16.596 -8.127 2.029 1.00 0.00 C ATOM 863 OG1 THR A 58 -17.901 -8.692 2.114 1.00 0.00 O ATOM 864 CG2 THR A 58 -16.849 -6.624 1.893 1.00 0.00 C ATOM 0 H THR A 58 -15.434 -10.248 2.094 1.00 0.00 H new ATOM 0 HA THR A 58 -16.802 -8.818 0.016 1.00 0.00 H new ATOM 0 HB THR A 58 -15.920 -8.307 2.865 1.00 0.00 H new ATOM 0 HG1 THR A 58 -18.354 -8.349 2.912 1.00 0.00 H new ATOM 0 HG21 THR A 58 -17.268 -6.240 2.823 1.00 0.00 H new ATOM 0 HG22 THR A 58 -15.909 -6.115 1.680 1.00 0.00 H new ATOM 0 HG23 THR A 58 -17.551 -6.445 1.078 1.00 0.00 H new ATOM 872 N TRP A 59 -13.751 -7.892 0.724 1.00 0.00 N ATOM 873 CA TRP A 59 -12.630 -7.115 0.221 1.00 0.00 C ATOM 874 C TRP A 59 -12.358 -7.557 -1.218 1.00 0.00 C ATOM 875 O TRP A 59 -11.882 -6.769 -2.034 1.00 0.00 O ATOM 876 CB TRP A 59 -11.410 -7.260 1.132 1.00 0.00 C ATOM 877 CG TRP A 59 -11.399 -6.291 2.316 1.00 0.00 C ATOM 878 CD1 TRP A 59 -11.503 -6.581 3.620 1.00 0.00 C ATOM 879 CD2 TRP A 59 -11.273 -4.855 2.251 1.00 0.00 C ATOM 880 NE1 TRP A 59 -11.453 -5.442 4.397 1.00 0.00 N ATOM 881 CE2 TRP A 59 -11.309 -4.359 3.538 1.00 0.00 C ATOM 882 CE3 TRP A 59 -11.133 -4.003 1.141 1.00 0.00 C ATOM 883 CZ2 TRP A 59 -11.211 -2.994 3.837 1.00 0.00 C ATOM 884 CZ3 TRP A 59 -11.037 -2.642 1.457 1.00 0.00 C ATOM 885 CH2 TRP A 59 -11.071 -2.127 2.747 1.00 0.00 C ATOM 0 H TRP A 59 -13.551 -8.433 1.565 1.00 0.00 H new ATOM 0 HA TRP A 59 -12.867 -6.051 0.220 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -11.372 -8.281 1.511 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -10.507 -7.105 0.541 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -11.612 -7.581 4.013 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -11.511 -5.402 5.415 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -11.102 -4.369 0.125 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -11.242 -2.630 4.853 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -10.929 -1.944 0.640 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -10.990 -1.062 2.908 1.00 0.00 H new ATOM 896 N TYR A 60 -12.670 -8.817 -1.486 1.00 0.00 N ATOM 897 CA TYR A 60 -12.465 -9.373 -2.813 1.00 0.00 C ATOM 898 C TYR A 60 -13.623 -9.011 -3.744 1.00 0.00 C ATOM 899 O TYR A 60 -13.413 -8.417 -4.801 1.00 0.00 O ATOM 900 CB TYR A 60 -12.426 -10.892 -2.632 1.00 0.00 C ATOM 901 CG TYR A 60 -11.940 -11.653 -3.867 1.00 0.00 C ATOM 902 CD1 TYR A 60 -12.816 -11.926 -4.898 1.00 0.00 C ATOM 903 CD2 TYR A 60 -10.627 -12.067 -3.949 1.00 0.00 C ATOM 904 CE1 TYR A 60 -12.359 -12.643 -6.060 1.00 0.00 C ATOM 905 CE2 TYR A 60 -10.169 -12.784 -5.112 1.00 0.00 C ATOM 906 CZ TYR A 60 -11.058 -13.036 -6.110 1.00 0.00 C ATOM 907 OH TYR A 60 -10.626 -13.714 -7.207 1.00 0.00 O ATOM 0 H TYR A 60 -13.063 -9.468 -0.807 1.00 0.00 H new ATOM 0 HA TYR A 60 -11.549 -8.981 -3.256 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -11.775 -11.131 -1.791 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -13.425 -11.242 -2.372 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -13.844 -11.602 -4.833 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -9.942 -11.854 -3.142 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -13.034 -12.864 -6.874 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -9.143 -13.114 -5.189 1.00 0.00 H new ATOM 0 HH TYR A 60 -9.675 -13.930 -7.105 1.00 0.00 H new ATOM 917 N GLU A 61 -14.821 -9.385 -3.319 1.00 0.00 N ATOM 918 CA GLU A 61 -16.013 -9.107 -4.102 1.00 0.00 C ATOM 919 C GLU A 61 -16.059 -7.629 -4.494 1.00 0.00 C ATOM 920 O GLU A 61 -16.735 -7.258 -5.452 1.00 0.00 O ATOM 921 CB GLU A 61 -17.277 -9.511 -3.340 1.00 0.00 C ATOM 922 CG GLU A 61 -17.349 -11.030 -3.165 1.00 0.00 C ATOM 923 CD GLU A 61 -18.352 -11.647 -4.142 1.00 0.00 C ATOM 924 OE1 GLU A 61 -18.322 -11.234 -5.321 1.00 0.00 O ATOM 925 OE2 GLU A 61 -19.126 -12.517 -3.687 1.00 0.00 O ATOM 0 H GLU A 61 -14.992 -9.878 -2.443 1.00 0.00 H new ATOM 0 HA GLU A 61 -15.971 -9.703 -5.013 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -17.287 -9.028 -2.363 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -18.158 -9.161 -3.878 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -16.363 -11.466 -3.327 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -17.639 -11.269 -2.142 1.00 0.00 H new ATOM 932 N ARG A 62 -15.330 -6.826 -3.734 1.00 0.00 N ATOM 933 CA ARG A 62 -15.278 -5.396 -3.990 1.00 0.00 C ATOM 934 C ARG A 62 -14.020 -5.044 -4.785 1.00 0.00 C ATOM 935 O ARG A 62 -14.022 -4.097 -5.570 1.00 0.00 O ATOM 936 CB ARG A 62 -15.285 -4.602 -2.682 1.00 0.00 C ATOM 937 CG ARG A 62 -13.914 -4.649 -2.004 1.00 0.00 C ATOM 938 CD ARG A 62 -13.837 -3.644 -0.853 1.00 0.00 C ATOM 939 NE ARG A 62 -14.212 -2.295 -1.332 1.00 0.00 N ATOM 940 CZ ARG A 62 -14.392 -1.236 -0.531 1.00 0.00 C ATOM 941 NH1 ARG A 62 -14.234 -1.364 0.793 1.00 0.00 N ATOM 942 NH2 ARG A 62 -14.731 -0.050 -1.054 1.00 0.00 N ATOM 0 H ARG A 62 -14.770 -7.138 -2.940 1.00 0.00 H new ATOM 0 HA ARG A 62 -16.163 -5.131 -4.568 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -15.560 -3.567 -2.883 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -16.041 -5.008 -2.010 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -13.725 -5.654 -1.627 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -13.135 -4.431 -2.735 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -14.503 -3.951 -0.047 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -12.827 -3.625 -0.443 1.00 0.00 H new ATOM 0 HE ARG A 62 -14.342 -2.163 -2.335 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -13.977 -2.267 1.191 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -14.371 -0.558 1.403 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -14.852 0.047 -2.062 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -14.868 0.756 -0.444 1.00 0.00 H new ATOM 956 N TYR A 63 -12.975 -5.825 -4.554 1.00 0.00 N ATOM 957 CA TYR A 63 -11.712 -5.608 -5.240 1.00 0.00 C ATOM 958 C TYR A 63 -11.085 -6.936 -5.669 1.00 0.00 C ATOM 959 O TYR A 63 -10.119 -7.396 -5.062 1.00 0.00 O ATOM 960 CB TYR A 63 -10.792 -4.929 -4.223 1.00 0.00 C ATOM 961 CG TYR A 63 -11.212 -3.504 -3.859 1.00 0.00 C ATOM 962 CD1 TYR A 63 -11.580 -2.618 -4.851 1.00 0.00 C ATOM 963 CD2 TYR A 63 -11.224 -3.104 -2.538 1.00 0.00 C ATOM 964 CE1 TYR A 63 -11.975 -1.276 -4.507 1.00 0.00 C ATOM 965 CE2 TYR A 63 -11.619 -1.763 -2.194 1.00 0.00 C ATOM 966 CZ TYR A 63 -11.975 -0.915 -3.196 1.00 0.00 C ATOM 967 OH TYR A 63 -12.349 0.352 -2.872 1.00 0.00 O ATOM 0 H TYR A 63 -12.977 -6.609 -3.901 1.00 0.00 H new ATOM 0 HA TYR A 63 -11.861 -5.007 -6.137 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -10.763 -5.532 -3.315 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -9.778 -4.907 -4.623 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -11.572 -2.931 -5.885 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -10.937 -3.798 -1.762 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -12.265 -0.572 -5.273 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -11.632 -1.438 -1.164 1.00 0.00 H new ATOM 0 HH TYR A 63 -12.302 0.468 -1.900 1.00 0.00 H new ATOM 977 N LYS A 64 -11.661 -7.516 -6.712 1.00 0.00 N ATOM 978 CA LYS A 64 -11.171 -8.782 -7.230 1.00 0.00 C ATOM 979 C LYS A 64 -10.512 -8.551 -8.591 1.00 0.00 C ATOM 980 O LYS A 64 -9.529 -9.208 -8.928 1.00 0.00 O ATOM 981 CB LYS A 64 -12.295 -9.820 -7.259 1.00 0.00 C ATOM 982 CG LYS A 64 -13.476 -9.326 -8.097 1.00 0.00 C ATOM 983 CD LYS A 64 -14.790 -9.458 -7.324 1.00 0.00 C ATOM 984 CE LYS A 64 -15.986 -9.104 -8.211 1.00 0.00 C ATOM 985 NZ LYS A 64 -17.225 -9.031 -7.405 1.00 0.00 N ATOM 0 H LYS A 64 -12.463 -7.132 -7.212 1.00 0.00 H new ATOM 0 HA LYS A 64 -10.406 -9.193 -6.571 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -11.919 -10.757 -7.670 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -12.628 -10.029 -6.242 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -13.318 -8.285 -8.377 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -13.535 -9.899 -9.022 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -14.897 -10.477 -6.953 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -14.771 -8.802 -6.454 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -15.810 -8.149 -8.705 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -16.099 -9.852 -8.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -18.051 -9.027 -8.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -17.277 -9.855 -6.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -17.219 -8.159 -6.838 1.00 0.00 H new ATOM 999 N PHE A 65 -11.082 -7.616 -9.337 1.00 0.00 N ATOM 1000 CA PHE A 65 -10.562 -7.290 -10.654 1.00 0.00 C ATOM 1001 C PHE A 65 -9.839 -5.941 -10.640 1.00 0.00 C ATOM 1002 O PHE A 65 -9.530 -5.388 -11.694 1.00 0.00 O ATOM 1003 CB PHE A 65 -11.762 -7.202 -11.599 1.00 0.00 C ATOM 1004 CG PHE A 65 -12.804 -8.302 -11.386 1.00 0.00 C ATOM 1005 CD1 PHE A 65 -12.449 -9.609 -11.510 1.00 0.00 C ATOM 1006 CD2 PHE A 65 -14.085 -7.972 -11.071 1.00 0.00 C ATOM 1007 CE1 PHE A 65 -13.416 -10.629 -11.312 1.00 0.00 C ATOM 1008 CE2 PHE A 65 -15.053 -8.993 -10.873 1.00 0.00 C ATOM 1009 CZ PHE A 65 -14.698 -10.300 -10.997 1.00 0.00 C ATOM 0 H PHE A 65 -11.899 -7.074 -9.055 1.00 0.00 H new ATOM 0 HA PHE A 65 -9.849 -8.051 -10.971 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -12.242 -6.232 -11.471 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -11.405 -7.248 -12.628 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -11.431 -9.871 -11.759 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -14.367 -6.934 -10.971 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -13.134 -11.667 -11.411 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -16.071 -8.731 -10.624 1.00 0.00 H new ATOM 0 HZ PHE A 65 -15.433 -11.076 -10.845 1.00 0.00 H new ATOM 1019 N ASP A 66 -9.591 -5.452 -9.435 1.00 0.00 N ATOM 1020 CA ASP A 66 -8.910 -4.178 -9.269 1.00 0.00 C ATOM 1021 C ASP A 66 -7.524 -4.420 -8.669 1.00 0.00 C ATOM 1022 O ASP A 66 -6.534 -3.861 -9.138 1.00 0.00 O ATOM 1023 CB ASP A 66 -9.683 -3.260 -8.321 1.00 0.00 C ATOM 1024 CG ASP A 66 -11.203 -3.431 -8.351 1.00 0.00 C ATOM 1025 OD1 ASP A 66 -11.644 -4.598 -8.284 1.00 0.00 O ATOM 1026 OD2 ASP A 66 -11.890 -2.390 -8.439 1.00 0.00 O ATOM 0 H ASP A 66 -9.849 -5.914 -8.563 1.00 0.00 H new ATOM 0 HA ASP A 66 -8.836 -3.705 -10.248 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -9.333 -3.435 -7.304 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -9.444 -2.225 -8.566 1.00 0.00 H new ATOM 1031 N ILE A 67 -7.498 -5.254 -7.639 1.00 0.00 N ATOM 1032 CA ILE A 67 -6.249 -5.576 -6.969 1.00 0.00 C ATOM 1033 C ILE A 67 -5.123 -5.642 -8.003 1.00 0.00 C ATOM 1034 O ILE A 67 -5.372 -5.889 -9.182 1.00 0.00 O ATOM 1035 CB ILE A 67 -6.400 -6.854 -6.142 1.00 0.00 C ATOM 1036 CG1 ILE A 67 -7.124 -7.941 -6.938 1.00 0.00 C ATOM 1037 CG2 ILE A 67 -7.090 -6.565 -4.807 1.00 0.00 C ATOM 1038 CD1 ILE A 67 -7.610 -9.063 -6.019 1.00 0.00 C ATOM 0 H ILE A 67 -8.321 -5.716 -7.253 1.00 0.00 H new ATOM 0 HA ILE A 67 -5.984 -4.793 -6.259 1.00 0.00 H new ATOM 0 HB ILE A 67 -5.404 -7.233 -5.914 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -7.972 -7.506 -7.466 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -6.454 -8.350 -7.694 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -7.185 -7.490 -4.239 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -6.497 -5.849 -4.238 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -8.081 -6.150 -4.992 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -8.121 -9.822 -6.611 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -6.757 -9.512 -5.511 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -8.299 -8.655 -5.279 1.00 0.00 H new ATOM 1050 N PRO A 68 -3.877 -5.410 -7.510 1.00 0.00 N ATOM 1051 CA PRO A 68 -3.670 -5.125 -6.101 1.00 0.00 C ATOM 1052 C PRO A 68 -4.107 -3.699 -5.760 1.00 0.00 C ATOM 1053 O PRO A 68 -3.735 -2.751 -6.449 1.00 0.00 O ATOM 1054 CB PRO A 68 -2.188 -5.365 -5.864 1.00 0.00 C ATOM 1055 CG PRO A 68 -1.535 -5.323 -7.236 1.00 0.00 C ATOM 1056 CD PRO A 68 -2.636 -5.414 -8.280 1.00 0.00 C ATOM 0 HA PRO A 68 -4.271 -5.760 -5.451 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -1.769 -4.602 -5.208 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -2.020 -6.328 -5.381 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -0.967 -4.401 -7.360 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -0.832 -6.148 -7.350 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -2.596 -4.573 -8.972 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -2.543 -6.322 -8.876 1.00 0.00 H new ATOM 1064 N VAL A 69 -4.890 -3.592 -4.697 1.00 0.00 N ATOM 1065 CA VAL A 69 -5.382 -2.298 -4.256 1.00 0.00 C ATOM 1066 C VAL A 69 -4.521 -1.799 -3.094 1.00 0.00 C ATOM 1067 O VAL A 69 -4.140 -2.576 -2.220 1.00 0.00 O ATOM 1068 CB VAL A 69 -6.867 -2.395 -3.901 1.00 0.00 C ATOM 1069 CG1 VAL A 69 -7.396 -1.055 -3.386 1.00 0.00 C ATOM 1070 CG2 VAL A 69 -7.685 -2.886 -5.097 1.00 0.00 C ATOM 0 H VAL A 69 -5.196 -4.381 -4.128 1.00 0.00 H new ATOM 0 HA VAL A 69 -5.301 -1.565 -5.059 1.00 0.00 H new ATOM 0 HB VAL A 69 -6.974 -3.126 -3.100 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -8.454 -1.151 -3.141 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -6.842 -0.764 -2.494 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -7.270 -0.294 -4.156 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -8.737 -2.946 -4.818 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -7.569 -2.190 -5.928 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -7.333 -3.872 -5.398 1.00 0.00 H new ATOM 1080 N PHE A 70 -4.238 -0.505 -3.121 1.00 0.00 N ATOM 1081 CA PHE A 70 -3.429 0.107 -2.081 1.00 0.00 C ATOM 1082 C PHE A 70 -4.184 1.251 -1.401 1.00 0.00 C ATOM 1083 O PHE A 70 -4.589 2.210 -2.058 1.00 0.00 O ATOM 1084 CB PHE A 70 -2.179 0.669 -2.760 1.00 0.00 C ATOM 1085 CG PHE A 70 -1.321 -0.388 -3.457 1.00 0.00 C ATOM 1086 CD1 PHE A 70 -1.595 -0.749 -4.739 1.00 0.00 C ATOM 1087 CD2 PHE A 70 -0.283 -0.967 -2.795 1.00 0.00 C ATOM 1088 CE1 PHE A 70 -0.799 -1.730 -5.387 1.00 0.00 C ATOM 1089 CE2 PHE A 70 0.513 -1.948 -3.442 1.00 0.00 C ATOM 1090 CZ PHE A 70 0.239 -2.309 -4.725 1.00 0.00 C ATOM 0 H PHE A 70 -4.555 0.137 -3.848 1.00 0.00 H new ATOM 0 HA PHE A 70 -3.181 -0.632 -1.319 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -2.481 1.417 -3.492 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -1.572 1.181 -2.014 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -2.419 -0.289 -5.265 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -0.065 -0.680 -1.777 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -1.017 -2.016 -6.405 1.00 0.00 H new ATOM 0 HE2 PHE A 70 1.336 -2.408 -2.916 1.00 0.00 H new ATOM 0 HZ PHE A 70 0.845 -3.055 -5.218 1.00 0.00 H new ATOM 1100 N HIS A 71 -4.351 1.113 -0.094 1.00 0.00 N ATOM 1101 CA HIS A 71 -5.050 2.123 0.682 1.00 0.00 C ATOM 1102 C HIS A 71 -4.082 2.768 1.676 1.00 0.00 C ATOM 1103 O HIS A 71 -3.549 2.093 2.555 1.00 0.00 O ATOM 1104 CB HIS A 71 -6.287 1.529 1.358 1.00 0.00 C ATOM 1105 CG HIS A 71 -7.312 0.983 0.394 1.00 0.00 C ATOM 1106 ND1 HIS A 71 -8.478 0.364 0.810 1.00 0.00 N ATOM 1107 CD2 HIS A 71 -7.334 0.969 -0.970 1.00 0.00 C ATOM 1108 CE1 HIS A 71 -9.163 -0.002 -0.264 1.00 0.00 C ATOM 1109 NE2 HIS A 71 -8.452 0.373 -1.366 1.00 0.00 N ATOM 0 H HIS A 71 -4.014 0.317 0.447 1.00 0.00 H new ATOM 0 HA HIS A 71 -5.412 2.909 0.020 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -5.973 0.730 2.029 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -6.755 2.297 1.974 1.00 0.00 H new ATOM 0 HD1 HIS A 71 -8.762 0.215 1.778 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -6.571 1.374 -1.618 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -10.117 -0.508 -0.266 1.00 0.00 H new ATOM 1117 N LEU A 72 -3.885 4.067 1.504 1.00 0.00 N ATOM 1118 CA LEU A 72 -2.990 4.810 2.375 1.00 0.00 C ATOM 1119 C LEU A 72 -3.817 5.662 3.340 1.00 0.00 C ATOM 1120 O LEU A 72 -4.634 6.476 2.912 1.00 0.00 O ATOM 1121 CB LEU A 72 -1.985 5.616 1.549 1.00 0.00 C ATOM 1122 CG LEU A 72 -0.512 5.426 1.915 1.00 0.00 C ATOM 1123 CD1 LEU A 72 0.361 6.488 1.243 1.00 0.00 C ATOM 1124 CD2 LEU A 72 -0.322 5.405 3.433 1.00 0.00 C ATOM 0 H LEU A 72 -4.330 4.624 0.774 1.00 0.00 H new ATOM 0 HA LEU A 72 -2.394 4.128 2.981 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.115 5.354 0.499 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -2.230 6.674 1.646 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.189 4.456 1.537 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.403 6.330 1.520 1.00 0.00 H new ATOM 0 HD12 LEU A 72 0.257 6.413 0.161 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.045 7.479 1.570 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.734 5.269 3.666 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -0.668 6.348 3.856 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -0.897 4.583 3.860 1.00 0.00 H new ATOM 1136 N ASN A 73 -3.576 5.445 4.625 1.00 0.00 N ATOM 1137 CA ASN A 73 -4.288 6.183 5.655 1.00 0.00 C ATOM 1138 C ASN A 73 -5.784 5.875 5.555 1.00 0.00 C ATOM 1139 O ASN A 73 -6.614 6.780 5.627 1.00 0.00 O ATOM 1140 CB ASN A 73 -4.104 7.692 5.478 1.00 0.00 C ATOM 1141 CG ASN A 73 -2.868 8.185 6.234 1.00 0.00 C ATOM 1142 OD1 ASN A 73 -2.924 8.545 7.399 1.00 0.00 O ATOM 1143 ND2 ASN A 73 -1.753 8.181 5.509 1.00 0.00 N ATOM 0 H ASN A 73 -2.898 4.769 4.976 1.00 0.00 H new ATOM 0 HA ASN A 73 -3.888 5.882 6.623 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -4.005 7.928 4.419 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -4.989 8.215 5.840 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -0.874 8.492 5.923 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -1.777 7.867 4.539 1.00 0.00 H new ATOM 1150 N GLY A 74 -6.082 4.595 5.391 1.00 0.00 N ATOM 1151 CA GLY A 74 -7.463 4.156 5.281 1.00 0.00 C ATOM 1152 C GLY A 74 -8.186 4.898 4.155 1.00 0.00 C ATOM 1153 O GLY A 74 -9.340 5.293 4.308 1.00 0.00 O ATOM 0 H GLY A 74 -5.391 3.847 5.332 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -7.493 3.083 5.092 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -7.979 4.328 6.225 1.00 0.00 H new ATOM 1157 N GLN A 75 -7.476 5.064 3.048 1.00 0.00 N ATOM 1158 CA GLN A 75 -8.036 5.752 1.897 1.00 0.00 C ATOM 1159 C GLN A 75 -7.345 5.286 0.613 1.00 0.00 C ATOM 1160 O GLN A 75 -6.134 5.441 0.465 1.00 0.00 O ATOM 1161 CB GLN A 75 -7.927 7.269 2.058 1.00 0.00 C ATOM 1162 CG GLN A 75 -9.265 7.871 2.493 1.00 0.00 C ATOM 1163 CD GLN A 75 -9.064 8.922 3.586 1.00 0.00 C ATOM 1164 OE1 GLN A 75 -7.953 9.286 3.937 1.00 0.00 O ATOM 1165 NE2 GLN A 75 -10.197 9.388 4.104 1.00 0.00 N ATOM 0 H GLN A 75 -6.519 4.734 2.924 1.00 0.00 H new ATOM 0 HA GLN A 75 -9.095 5.502 1.829 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -7.160 7.506 2.796 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -7.612 7.717 1.116 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -9.760 8.324 1.634 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -9.921 7.081 2.859 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -11.094 9.040 3.764 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -10.169 10.093 4.841 1.00 0.00 H new ATOM 1174 N PHE A 76 -8.145 4.725 -0.281 1.00 0.00 N ATOM 1175 CA PHE A 76 -7.626 4.236 -1.547 1.00 0.00 C ATOM 1176 C PHE A 76 -6.571 5.188 -2.112 1.00 0.00 C ATOM 1177 O PHE A 76 -6.899 6.280 -2.574 1.00 0.00 O ATOM 1178 CB PHE A 76 -8.807 4.167 -2.518 1.00 0.00 C ATOM 1179 CG PHE A 76 -8.430 4.439 -3.976 1.00 0.00 C ATOM 1180 CD1 PHE A 76 -7.558 3.616 -4.618 1.00 0.00 C ATOM 1181 CD2 PHE A 76 -8.966 5.505 -4.629 1.00 0.00 C ATOM 1182 CE1 PHE A 76 -7.209 3.869 -5.971 1.00 0.00 C ATOM 1183 CE2 PHE A 76 -8.616 5.757 -5.982 1.00 0.00 C ATOM 1184 CZ PHE A 76 -7.745 4.934 -6.624 1.00 0.00 C ATOM 0 H PHE A 76 -9.149 4.598 -0.154 1.00 0.00 H new ATOM 0 HA PHE A 76 -7.158 3.262 -1.406 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -9.263 3.180 -2.449 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -9.562 4.889 -2.208 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -7.131 2.770 -4.099 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -9.657 6.159 -4.119 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -6.517 3.215 -6.481 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -9.042 6.603 -6.501 1.00 0.00 H new ATOM 0 HZ PHE A 76 -7.479 5.126 -7.653 1.00 0.00 H new ATOM 1194 N LEU A 77 -5.325 4.741 -2.056 1.00 0.00 N ATOM 1195 CA LEU A 77 -4.220 5.540 -2.556 1.00 0.00 C ATOM 1196 C LEU A 77 -4.063 5.302 -4.060 1.00 0.00 C ATOM 1197 O LEU A 77 -3.886 6.247 -4.826 1.00 0.00 O ATOM 1198 CB LEU A 77 -2.948 5.258 -1.753 1.00 0.00 C ATOM 1199 CG LEU A 77 -1.730 4.810 -2.562 1.00 0.00 C ATOM 1200 CD1 LEU A 77 -1.042 6.004 -3.226 1.00 0.00 C ATOM 1201 CD2 LEU A 77 -0.763 4.001 -1.695 1.00 0.00 C ATOM 0 H LEU A 77 -5.056 3.835 -1.672 1.00 0.00 H new ATOM 0 HA LEU A 77 -4.426 6.602 -2.421 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.682 6.161 -1.203 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.172 4.488 -1.014 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.074 4.153 -3.360 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.179 5.657 -3.795 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.743 6.501 -3.897 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.713 6.706 -2.460 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.094 3.695 -2.295 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -0.422 4.614 -0.861 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.271 3.117 -1.311 1.00 0.00 H new ATOM 1213 N MET A 78 -4.134 4.034 -4.436 1.00 0.00 N ATOM 1214 CA MET A 78 -4.003 3.659 -5.834 1.00 0.00 C ATOM 1215 C MET A 78 -4.230 2.158 -6.023 1.00 0.00 C ATOM 1216 O MET A 78 -3.918 1.363 -5.138 1.00 0.00 O ATOM 1217 CB MET A 78 -2.605 4.031 -6.333 1.00 0.00 C ATOM 1218 CG MET A 78 -1.567 3.008 -5.868 1.00 0.00 C ATOM 1219 SD MET A 78 0.078 3.598 -6.233 1.00 0.00 S ATOM 1220 CE MET A 78 1.027 2.581 -5.114 1.00 0.00 C ATOM 0 H MET A 78 -4.281 3.253 -3.797 1.00 0.00 H new ATOM 0 HA MET A 78 -4.758 4.196 -6.407 1.00 0.00 H new ATOM 0 HB2 MET A 78 -2.606 4.084 -7.422 1.00 0.00 H new ATOM 0 HB3 MET A 78 -2.335 5.021 -5.965 1.00 0.00 H new ATOM 0 HG2 MET A 78 -1.670 2.834 -4.797 1.00 0.00 H new ATOM 0 HG3 MET A 78 -1.738 2.053 -6.364 1.00 0.00 H new ATOM 0 HE1 MET A 78 2.086 2.663 -5.357 1.00 0.00 H new ATOM 0 HE2 MET A 78 0.863 2.916 -4.090 1.00 0.00 H new ATOM 0 HE3 MET A 78 0.712 1.542 -5.211 1.00 0.00 H new ATOM 1230 N MET A 79 -4.771 1.815 -7.183 1.00 0.00 N ATOM 1231 CA MET A 79 -5.044 0.424 -7.499 1.00 0.00 C ATOM 1232 C MET A 79 -4.827 0.148 -8.989 1.00 0.00 C ATOM 1233 O MET A 79 -4.782 1.075 -9.795 1.00 0.00 O ATOM 1234 CB MET A 79 -6.488 0.088 -7.123 1.00 0.00 C ATOM 1235 CG MET A 79 -7.477 0.891 -7.970 1.00 0.00 C ATOM 1236 SD MET A 79 -9.133 0.271 -7.727 1.00 0.00 S ATOM 1237 CE MET A 79 -9.859 1.655 -6.866 1.00 0.00 C ATOM 0 H MET A 79 -5.028 2.477 -7.915 1.00 0.00 H new ATOM 0 HA MET A 79 -4.356 -0.200 -6.928 1.00 0.00 H new ATOM 0 HB2 MET A 79 -6.665 -0.978 -7.264 1.00 0.00 H new ATOM 0 HB3 MET A 79 -6.651 0.302 -6.067 1.00 0.00 H new ATOM 0 HG2 MET A 79 -7.431 1.945 -7.696 1.00 0.00 H new ATOM 0 HG3 MET A 79 -7.205 0.823 -9.023 1.00 0.00 H new ATOM 0 HE1 MET A 79 -10.932 1.496 -6.761 1.00 0.00 H new ATOM 0 HE2 MET A 79 -9.408 1.746 -5.878 1.00 0.00 H new ATOM 0 HE3 MET A 79 -9.681 2.569 -7.432 1.00 0.00 H new ATOM 1247 N HIS A 80 -4.699 -1.132 -9.308 1.00 0.00 N ATOM 1248 CA HIS A 80 -4.488 -1.541 -10.686 1.00 0.00 C ATOM 1249 C HIS A 80 -2.991 -1.538 -10.999 1.00 0.00 C ATOM 1250 O HIS A 80 -2.593 -1.704 -12.151 1.00 0.00 O ATOM 1251 CB HIS A 80 -5.296 -0.663 -11.644 1.00 0.00 C ATOM 1252 CG HIS A 80 -6.714 -0.407 -11.193 1.00 0.00 C ATOM 1253 ND1 HIS A 80 -7.367 0.793 -11.416 1.00 0.00 N ATOM 1254 CD2 HIS A 80 -7.598 -1.208 -10.531 1.00 0.00 C ATOM 1255 CE1 HIS A 80 -8.587 0.708 -10.907 1.00 0.00 C ATOM 1256 NE2 HIS A 80 -8.728 -0.533 -10.358 1.00 0.00 N ATOM 0 H HIS A 80 -4.737 -1.899 -8.636 1.00 0.00 H new ATOM 0 HA HIS A 80 -4.851 -2.559 -10.826 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -4.785 0.293 -11.763 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -5.318 -1.138 -12.625 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -7.410 -2.220 -10.203 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -9.338 1.484 -10.924 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -9.564 -0.884 -9.891 1.00 0.00 H new ATOM 1264 N ARG A 81 -2.201 -1.346 -9.953 1.00 0.00 N ATOM 1265 CA ARG A 81 -0.755 -1.319 -10.102 1.00 0.00 C ATOM 1266 C ARG A 81 -0.111 -0.627 -8.899 1.00 0.00 C ATOM 1267 O ARG A 81 -0.795 -0.285 -7.935 1.00 0.00 O ATOM 1268 CB ARG A 81 -0.347 -0.586 -11.382 1.00 0.00 C ATOM 1269 CG ARG A 81 -1.137 0.714 -11.545 1.00 0.00 C ATOM 1270 CD ARG A 81 -1.480 0.966 -13.015 1.00 0.00 C ATOM 1271 NE ARG A 81 -2.932 1.209 -13.162 1.00 0.00 N ATOM 1272 CZ ARG A 81 -3.589 2.215 -12.570 1.00 0.00 C ATOM 1273 NH1 ARG A 81 -2.928 3.079 -11.788 1.00 0.00 N ATOM 1274 NH2 ARG A 81 -4.908 2.358 -12.760 1.00 0.00 N ATOM 0 H ARG A 81 -2.534 -1.208 -8.999 1.00 0.00 H new ATOM 0 HA ARG A 81 -0.408 -2.351 -10.161 1.00 0.00 H new ATOM 0 HB2 ARG A 81 0.720 -0.366 -11.355 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -0.518 -1.230 -12.244 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -2.054 0.663 -10.957 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -0.555 1.549 -11.155 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -0.920 1.825 -13.385 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -1.184 0.108 -13.618 1.00 0.00 H new ATOM 0 HE ARG A 81 -3.466 0.570 -13.751 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -1.924 2.971 -11.643 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -3.429 3.845 -11.337 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -5.412 1.701 -13.355 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -5.408 3.124 -12.309 1.00 0.00 H new ATOM 1288 N VAL A 82 1.197 -0.441 -8.994 1.00 0.00 N ATOM 1289 CA VAL A 82 1.942 0.204 -7.926 1.00 0.00 C ATOM 1290 C VAL A 82 2.694 1.410 -8.491 1.00 0.00 C ATOM 1291 O VAL A 82 3.884 1.320 -8.791 1.00 0.00 O ATOM 1292 CB VAL A 82 2.863 -0.810 -7.244 1.00 0.00 C ATOM 1293 CG1 VAL A 82 3.409 -0.255 -5.927 1.00 0.00 C ATOM 1294 CG2 VAL A 82 2.144 -2.142 -7.022 1.00 0.00 C ATOM 0 H VAL A 82 1.761 -0.726 -9.795 1.00 0.00 H new ATOM 0 HA VAL A 82 1.264 0.575 -7.157 1.00 0.00 H new ATOM 0 HB VAL A 82 3.709 -0.993 -7.907 1.00 0.00 H new ATOM 0 HG11 VAL A 82 4.061 -0.995 -5.463 1.00 0.00 H new ATOM 0 HG12 VAL A 82 3.976 0.655 -6.123 1.00 0.00 H new ATOM 0 HG13 VAL A 82 2.580 -0.029 -5.256 1.00 0.00 H new ATOM 0 HG21 VAL A 82 2.821 -2.844 -6.536 1.00 0.00 H new ATOM 0 HG22 VAL A 82 1.271 -1.983 -6.389 1.00 0.00 H new ATOM 0 HG23 VAL A 82 1.827 -2.549 -7.982 1.00 0.00 H new ATOM 1304 N ASN A 83 1.970 2.512 -8.619 1.00 0.00 N ATOM 1305 CA ASN A 83 2.554 3.735 -9.142 1.00 0.00 C ATOM 1306 C ASN A 83 3.315 4.451 -8.024 1.00 0.00 C ATOM 1307 O ASN A 83 2.822 5.426 -7.459 1.00 0.00 O ATOM 1308 CB ASN A 83 1.472 4.685 -9.660 1.00 0.00 C ATOM 1309 CG ASN A 83 1.340 4.588 -11.182 1.00 0.00 C ATOM 1310 OD1 ASN A 83 1.117 3.530 -11.746 1.00 0.00 O ATOM 1311 ND2 ASN A 83 1.492 5.749 -11.812 1.00 0.00 N ATOM 0 H ASN A 83 0.984 2.583 -8.369 1.00 0.00 H new ATOM 0 HA ASN A 83 3.221 3.466 -9.961 1.00 0.00 H new ATOM 0 HB2 ASN A 83 0.517 4.444 -9.192 1.00 0.00 H new ATOM 0 HB3 ASN A 83 1.716 5.709 -9.377 1.00 0.00 H new ATOM 0 HD21 ASN A 83 1.424 5.790 -12.829 1.00 0.00 H new ATOM 0 HD22 ASN A 83 1.677 6.598 -11.278 1.00 0.00 H new ATOM 1318 N THR A 84 4.503 3.939 -7.739 1.00 0.00 N ATOM 1319 CA THR A 84 5.337 4.518 -6.699 1.00 0.00 C ATOM 1320 C THR A 84 5.191 6.040 -6.684 1.00 0.00 C ATOM 1321 O THR A 84 4.978 6.636 -5.629 1.00 0.00 O ATOM 1322 CB THR A 84 6.774 4.048 -6.930 1.00 0.00 C ATOM 1323 OG1 THR A 84 7.015 4.330 -8.306 1.00 0.00 O ATOM 1324 CG2 THR A 84 6.917 2.527 -6.831 1.00 0.00 C ATOM 0 H THR A 84 4.908 3.130 -8.210 1.00 0.00 H new ATOM 0 HA THR A 84 5.025 4.183 -5.710 1.00 0.00 H new ATOM 0 HB THR A 84 7.432 4.522 -6.202 1.00 0.00 H new ATOM 0 HG1 THR A 84 7.927 4.058 -8.541 1.00 0.00 H new ATOM 0 HG21 THR A 84 7.956 2.247 -7.003 1.00 0.00 H new ATOM 0 HG22 THR A 84 6.612 2.197 -5.838 1.00 0.00 H new ATOM 0 HG23 THR A 84 6.285 2.052 -7.581 1.00 0.00 H new ATOM 1332 N SER A 85 5.311 6.627 -7.866 1.00 0.00 N ATOM 1333 CA SER A 85 5.195 8.069 -8.001 1.00 0.00 C ATOM 1334 C SER A 85 4.051 8.586 -7.126 1.00 0.00 C ATOM 1335 O SER A 85 4.231 9.532 -6.360 1.00 0.00 O ATOM 1336 CB SER A 85 4.968 8.468 -9.461 1.00 0.00 C ATOM 1337 OG SER A 85 6.195 8.605 -10.173 1.00 0.00 O ATOM 0 H SER A 85 5.487 6.130 -8.739 1.00 0.00 H new ATOM 0 HA SER A 85 6.130 8.520 -7.670 1.00 0.00 H new ATOM 0 HB2 SER A 85 4.347 7.717 -9.950 1.00 0.00 H new ATOM 0 HB3 SER A 85 4.420 9.409 -9.499 1.00 0.00 H new ATOM 0 HG SER A 85 6.008 8.859 -11.101 1.00 0.00 H new ATOM 1343 N LYS A 86 2.902 7.943 -7.268 1.00 0.00 N ATOM 1344 CA LYS A 86 1.730 8.327 -6.500 1.00 0.00 C ATOM 1345 C LYS A 86 1.998 8.085 -5.014 1.00 0.00 C ATOM 1346 O LYS A 86 1.883 9.001 -4.201 1.00 0.00 O ATOM 1347 CB LYS A 86 0.486 7.607 -7.026 1.00 0.00 C ATOM 1348 CG LYS A 86 -0.705 8.564 -7.115 1.00 0.00 C ATOM 1349 CD LYS A 86 -1.520 8.310 -8.384 1.00 0.00 C ATOM 1350 CE LYS A 86 -2.657 7.322 -8.117 1.00 0.00 C ATOM 1351 NZ LYS A 86 -2.671 6.257 -9.145 1.00 0.00 N ATOM 0 H LYS A 86 2.757 7.158 -7.904 1.00 0.00 H new ATOM 0 HA LYS A 86 1.528 9.392 -6.619 1.00 0.00 H new ATOM 0 HB2 LYS A 86 0.694 7.187 -8.010 1.00 0.00 H new ATOM 0 HB3 LYS A 86 0.239 6.773 -6.369 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -1.342 8.440 -6.239 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -0.349 9.594 -7.107 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -1.930 9.251 -8.752 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -0.869 7.918 -9.166 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -2.537 6.879 -7.128 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -3.612 7.848 -8.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -3.449 5.595 -8.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -2.807 6.683 -10.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -1.767 5.744 -9.126 1.00 0.00 H new ATOM 1365 N LEU A 87 2.350 6.846 -4.703 1.00 0.00 N ATOM 1366 CA LEU A 87 2.636 6.472 -3.328 1.00 0.00 C ATOM 1367 C LEU A 87 3.567 7.513 -2.703 1.00 0.00 C ATOM 1368 O LEU A 87 3.181 8.216 -1.771 1.00 0.00 O ATOM 1369 CB LEU A 87 3.179 5.043 -3.263 1.00 0.00 C ATOM 1370 CG LEU A 87 4.042 4.708 -2.045 1.00 0.00 C ATOM 1371 CD1 LEU A 87 3.257 4.905 -0.746 1.00 0.00 C ATOM 1372 CD2 LEU A 87 4.622 3.297 -2.155 1.00 0.00 C ATOM 0 H LEU A 87 2.444 6.088 -5.379 1.00 0.00 H new ATOM 0 HA LEU A 87 1.720 6.468 -2.737 1.00 0.00 H new ATOM 0 HB2 LEU A 87 2.335 4.353 -3.286 1.00 0.00 H new ATOM 0 HB3 LEU A 87 3.767 4.858 -4.162 1.00 0.00 H new ATOM 0 HG LEU A 87 4.883 5.401 -2.022 1.00 0.00 H new ATOM 0 HD11 LEU A 87 3.893 4.660 0.104 1.00 0.00 H new ATOM 0 HD12 LEU A 87 2.934 5.943 -0.670 1.00 0.00 H new ATOM 0 HD13 LEU A 87 2.384 4.252 -0.746 1.00 0.00 H new ATOM 0 HD21 LEU A 87 5.231 3.085 -1.276 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.809 2.573 -2.217 1.00 0.00 H new ATOM 0 HD23 LEU A 87 5.239 3.226 -3.050 1.00 0.00 H new ATOM 1384 N GLU A 88 4.775 7.579 -3.243 1.00 0.00 N ATOM 1385 CA GLU A 88 5.764 8.522 -2.750 1.00 0.00 C ATOM 1386 C GLU A 88 5.110 9.874 -2.461 1.00 0.00 C ATOM 1387 O GLU A 88 5.243 10.410 -1.361 1.00 0.00 O ATOM 1388 CB GLU A 88 6.919 8.673 -3.742 1.00 0.00 C ATOM 1389 CG GLU A 88 7.401 7.307 -4.235 1.00 0.00 C ATOM 1390 CD GLU A 88 8.923 7.192 -4.131 1.00 0.00 C ATOM 1391 OE1 GLU A 88 9.428 7.344 -2.997 1.00 0.00 O ATOM 1392 OE2 GLU A 88 9.548 6.955 -5.187 1.00 0.00 O ATOM 0 H GLU A 88 5.091 6.995 -4.017 1.00 0.00 H new ATOM 0 HA GLU A 88 6.176 8.133 -1.819 1.00 0.00 H new ATOM 0 HB2 GLU A 88 6.598 9.277 -4.590 1.00 0.00 H new ATOM 0 HB3 GLU A 88 7.744 9.204 -3.267 1.00 0.00 H new ATOM 0 HG2 GLU A 88 6.932 6.518 -3.647 1.00 0.00 H new ATOM 0 HG3 GLU A 88 7.092 7.160 -5.270 1.00 0.00 H new ATOM 1399 N LYS A 89 4.417 10.388 -3.467 1.00 0.00 N ATOM 1400 CA LYS A 89 3.742 11.668 -3.333 1.00 0.00 C ATOM 1401 C LYS A 89 3.007 11.715 -1.992 1.00 0.00 C ATOM 1402 O LYS A 89 3.210 12.635 -1.201 1.00 0.00 O ATOM 1403 CB LYS A 89 2.837 11.924 -4.540 1.00 0.00 C ATOM 1404 CG LYS A 89 2.690 13.423 -4.807 1.00 0.00 C ATOM 1405 CD LYS A 89 1.614 14.037 -3.908 1.00 0.00 C ATOM 1406 CE LYS A 89 0.407 14.493 -4.730 1.00 0.00 C ATOM 1407 NZ LYS A 89 -0.037 15.837 -4.297 1.00 0.00 N ATOM 0 H LYS A 89 4.308 9.942 -4.378 1.00 0.00 H new ATOM 0 HA LYS A 89 4.466 12.482 -3.328 1.00 0.00 H new ATOM 0 HB2 LYS A 89 3.252 11.433 -5.420 1.00 0.00 H new ATOM 0 HB3 LYS A 89 1.855 11.485 -4.363 1.00 0.00 H new ATOM 0 HG2 LYS A 89 3.643 13.922 -4.633 1.00 0.00 H new ATOM 0 HG3 LYS A 89 2.431 13.586 -5.853 1.00 0.00 H new ATOM 0 HD2 LYS A 89 1.297 13.306 -3.164 1.00 0.00 H new ATOM 0 HD3 LYS A 89 2.030 14.885 -3.365 1.00 0.00 H new ATOM 0 HE2 LYS A 89 0.667 14.513 -5.788 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -0.409 13.779 -4.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -0.857 16.131 -4.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -0.304 15.807 -3.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 0.738 16.518 -4.429 1.00 0.00 H new ATOM 1421 N GLN A 90 2.168 10.712 -1.778 1.00 0.00 N ATOM 1422 CA GLN A 90 1.402 10.627 -0.546 1.00 0.00 C ATOM 1423 C GLN A 90 2.341 10.581 0.661 1.00 0.00 C ATOM 1424 O GLN A 90 2.228 11.401 1.571 1.00 0.00 O ATOM 1425 CB GLN A 90 0.470 9.414 -0.563 1.00 0.00 C ATOM 1426 CG GLN A 90 -0.551 9.522 -1.697 1.00 0.00 C ATOM 1427 CD GLN A 90 -1.468 10.729 -1.496 1.00 0.00 C ATOM 1428 OE1 GLN A 90 -2.431 10.692 -0.747 1.00 0.00 O ATOM 1429 NE2 GLN A 90 -1.117 11.799 -2.203 1.00 0.00 N ATOM 0 H GLN A 90 2.002 9.951 -2.437 1.00 0.00 H new ATOM 0 HA GLN A 90 0.781 11.519 -0.464 1.00 0.00 H new ATOM 0 HB2 GLN A 90 1.056 8.503 -0.682 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -0.049 9.337 0.392 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -0.032 9.610 -2.651 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -1.148 8.611 -1.742 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -0.299 11.763 -2.811 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -1.666 12.656 -2.137 1.00 0.00 H new ATOM 1438 N LEU A 91 3.247 9.615 0.629 1.00 0.00 N ATOM 1439 CA LEU A 91 4.205 9.452 1.709 1.00 0.00 C ATOM 1440 C LEU A 91 4.682 10.829 2.175 1.00 0.00 C ATOM 1441 O LEU A 91 4.572 11.162 3.354 1.00 0.00 O ATOM 1442 CB LEU A 91 5.341 8.520 1.282 1.00 0.00 C ATOM 1443 CG LEU A 91 5.041 7.021 1.353 1.00 0.00 C ATOM 1444 CD1 LEU A 91 6.013 6.226 0.478 1.00 0.00 C ATOM 1445 CD2 LEU A 91 5.041 6.530 2.802 1.00 0.00 C ATOM 0 H LEU A 91 3.338 8.937 -0.128 1.00 0.00 H new ATOM 0 HA LEU A 91 3.734 8.971 2.566 1.00 0.00 H new ATOM 0 HB2 LEU A 91 5.621 8.766 0.258 1.00 0.00 H new ATOM 0 HB3 LEU A 91 6.209 8.727 1.908 1.00 0.00 H new ATOM 0 HG LEU A 91 4.040 6.853 0.957 1.00 0.00 H new ATOM 0 HD11 LEU A 91 5.778 5.164 0.546 1.00 0.00 H new ATOM 0 HD12 LEU A 91 5.920 6.552 -0.558 1.00 0.00 H new ATOM 0 HD13 LEU A 91 7.033 6.395 0.822 1.00 0.00 H new ATOM 0 HD21 LEU A 91 4.825 5.462 2.824 1.00 0.00 H new ATOM 0 HD22 LEU A 91 6.019 6.712 3.248 1.00 0.00 H new ATOM 0 HD23 LEU A 91 4.279 7.066 3.368 1.00 0.00 H new