USER MOD reduce.3.24.130724 H: found=0, std=0, add=455, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 456 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 30 ASN :FLIP amide:sc= -0.777 F(o=-6.7!,f=-0.78) USER MOD Set 1.2: A 32 THR OG1 : rot 49:sc= -0.0046 USER MOD Set 2.1: A 19 LYS NZ :NH3+ -179:sc= 0.0428 (180deg=0) USER MOD Set 2.2: A 43 THR OG1 : rot 180:sc= 0.0416 USER MOD Single : A 17 ASN :FLIP amide:sc= -0.0278 F(o=-0.78,f=-0.028) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 30:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0.0152 USER MOD Single : A 46 SER OG : rot 180:sc= -0.679 USER MOD Single : A 50 MET CE :methyl 175:sc= -1.37 (180deg=-1.5) USER MOD Single : A 52 SER OG : rot 180:sc=-0.00345 USER MOD Single : A 56 MET CE :methyl 165:sc= -0.429 (180deg=-1.04) USER MOD Single : A 61 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.0179 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 203 N ASN A 17 -8.558 -8.742 5.822 1.00 0.00 N ATOM 204 CA ASN A 17 -7.576 -7.766 5.363 1.00 0.00 C ATOM 205 C ASN A 17 -7.737 -7.493 3.871 1.00 0.00 C ATOM 206 O ASN A 17 -8.462 -8.203 3.174 1.00 0.00 O ATOM 207 CB ASN A 17 -6.158 -8.263 5.652 1.00 0.00 C ATOM 208 CG ASN A 17 -5.954 -9.705 5.229 1.00 0.00 C ATOM 209 OD1 ASN A 17 -5.938 -9.942 3.923 1.00 0.00 O flip ATOM 210 ND2 ASN A 17 -5.811 -10.596 6.068 1.00 0.00 N flip ATOM 0 HA ASN A 17 -7.745 -6.835 5.905 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -5.440 -7.629 5.131 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -5.952 -8.167 6.718 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -5.830 -10.368 7.062 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -5.673 -11.561 5.768 1.00 0.00 H new ATOM 217 N ARG A 18 -7.055 -6.460 3.387 1.00 0.00 N ATOM 218 CA ARG A 18 -7.123 -6.092 1.978 1.00 0.00 C ATOM 219 C ARG A 18 -5.728 -6.050 1.360 1.00 0.00 C ATOM 220 O ARG A 18 -4.722 -6.150 2.062 1.00 0.00 O ATOM 221 CB ARG A 18 -7.805 -4.733 1.816 1.00 0.00 C ATOM 222 CG ARG A 18 -9.320 -4.819 1.724 1.00 0.00 C ATOM 223 CD ARG A 18 -9.781 -5.019 0.288 1.00 0.00 C ATOM 224 NE ARG A 18 -11.233 -4.928 0.162 1.00 0.00 N ATOM 225 CZ ARG A 18 -11.897 -3.778 0.122 1.00 0.00 C ATOM 226 NH1 ARG A 18 -11.242 -2.628 0.197 1.00 0.00 N ATOM 227 NH2 ARG A 18 -13.219 -3.778 0.005 1.00 0.00 N ATOM 0 H ARG A 18 -6.449 -5.863 3.950 1.00 0.00 H new ATOM 0 HA ARG A 18 -7.710 -6.849 1.458 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -7.536 -4.098 2.660 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -7.422 -4.248 0.918 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -9.677 -5.644 2.340 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -9.762 -3.907 2.126 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -9.314 -4.269 -0.350 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -9.447 -5.994 -0.068 1.00 0.00 H new ATOM 0 HE ARG A 18 -11.767 -5.795 0.101 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -10.226 -2.625 0.286 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -11.754 -1.746 0.166 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -13.726 -4.661 -0.054 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -13.728 -2.895 -0.026 1.00 0.00 H new ATOM 241 N LYS A 19 -5.676 -5.902 0.040 1.00 0.00 N ATOM 242 CA LYS A 19 -4.406 -5.846 -0.674 1.00 0.00 C ATOM 243 C LYS A 19 -4.379 -4.669 -1.644 1.00 0.00 C ATOM 244 O LYS A 19 -5.363 -4.396 -2.331 1.00 0.00 O ATOM 245 CB LYS A 19 -4.167 -7.152 -1.435 1.00 0.00 C ATOM 246 CG LYS A 19 -3.942 -8.351 -0.530 1.00 0.00 C ATOM 247 CD LYS A 19 -2.472 -8.522 -0.187 1.00 0.00 C ATOM 248 CE LYS A 19 -2.143 -9.968 0.152 1.00 0.00 C ATOM 249 NZ LYS A 19 -0.907 -10.078 0.974 1.00 0.00 N ATOM 0 H LYS A 19 -6.499 -5.819 -0.557 1.00 0.00 H new ATOM 0 HA LYS A 19 -3.611 -5.709 0.059 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -5.024 -7.349 -2.079 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -3.301 -7.031 -2.085 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -4.519 -8.229 0.387 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -4.309 -9.252 -1.021 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -1.861 -8.196 -1.029 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -2.218 -7.882 0.658 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -2.979 -10.414 0.692 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -2.018 -10.537 -0.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -0.708 -11.080 1.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -0.107 -9.661 0.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -1.041 -9.570 1.872 1.00 0.00 H new ATOM 263 N ALA A 20 -3.246 -3.976 -1.694 1.00 0.00 N ATOM 264 CA ALA A 20 -3.090 -2.831 -2.582 1.00 0.00 C ATOM 265 C ALA A 20 -1.659 -2.727 -3.098 1.00 0.00 C ATOM 266 O ALA A 20 -0.708 -3.053 -2.388 1.00 0.00 O ATOM 267 CB ALA A 20 -3.489 -1.549 -1.865 1.00 0.00 C ATOM 0 H ALA A 20 -2.423 -4.188 -1.130 1.00 0.00 H new ATOM 0 HA ALA A 20 -3.748 -2.975 -3.439 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -3.368 -0.702 -2.540 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -4.531 -1.617 -1.551 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -2.855 -1.409 -0.990 1.00 0.00 H new ATOM 273 N ARG A 21 -1.513 -2.271 -4.338 1.00 0.00 N ATOM 274 CA ARG A 21 -0.198 -2.127 -4.950 1.00 0.00 C ATOM 275 C ARG A 21 0.326 -0.703 -4.782 1.00 0.00 C ATOM 276 O ARG A 21 -0.377 0.266 -5.068 1.00 0.00 O ATOM 277 CB ARG A 21 -0.260 -2.488 -6.435 1.00 0.00 C ATOM 278 CG ARG A 21 0.921 -1.966 -7.238 1.00 0.00 C ATOM 279 CD ARG A 21 0.677 -2.094 -8.734 1.00 0.00 C ATOM 280 NE ARG A 21 0.365 -3.467 -9.122 1.00 0.00 N ATOM 281 CZ ARG A 21 0.508 -3.932 -10.358 1.00 0.00 C ATOM 282 NH1 ARG A 21 0.956 -3.138 -11.321 1.00 0.00 N ATOM 283 NH2 ARG A 21 0.204 -5.194 -10.633 1.00 0.00 N ATOM 0 H ARG A 21 -2.290 -1.995 -4.938 1.00 0.00 H new ATOM 0 HA ARG A 21 0.486 -2.810 -4.447 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -0.306 -3.572 -6.535 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -1.182 -2.089 -6.859 1.00 0.00 H new ATOM 0 HG2 ARG A 21 1.101 -0.921 -6.986 1.00 0.00 H new ATOM 0 HG3 ARG A 21 1.820 -2.519 -6.966 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -0.145 -1.440 -9.025 1.00 0.00 H new ATOM 0 HD3 ARG A 21 1.560 -1.756 -9.276 1.00 0.00 H new ATOM 0 HE ARG A 21 0.018 -4.104 -8.405 1.00 0.00 H new ATOM 0 HH11 ARG A 21 1.192 -2.168 -11.113 1.00 0.00 H new ATOM 0 HH12 ARG A 21 1.065 -3.498 -12.269 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -0.140 -5.808 -9.895 1.00 0.00 H new ATOM 0 HH22 ARG A 21 0.314 -5.550 -11.583 1.00 0.00 H new ATOM 297 N VAL A 22 1.566 -0.585 -4.317 1.00 0.00 N ATOM 298 CA VAL A 22 2.184 0.719 -4.112 1.00 0.00 C ATOM 299 C VAL A 22 2.566 1.361 -5.441 1.00 0.00 C ATOM 300 O VAL A 22 3.100 0.699 -6.332 1.00 0.00 O ATOM 301 CB VAL A 22 3.440 0.612 -3.227 1.00 0.00 C ATOM 302 CG1 VAL A 22 4.190 1.935 -3.201 1.00 0.00 C ATOM 303 CG2 VAL A 22 3.063 0.176 -1.819 1.00 0.00 C ATOM 0 H VAL A 22 2.162 -1.377 -4.075 1.00 0.00 H new ATOM 0 HA VAL A 22 1.446 1.343 -3.609 1.00 0.00 H new ATOM 0 HB VAL A 22 4.100 -0.144 -3.653 1.00 0.00 H new ATOM 0 HG11 VAL A 22 5.074 1.840 -2.571 1.00 0.00 H new ATOM 0 HG12 VAL A 22 4.493 2.201 -4.214 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.541 2.713 -2.800 1.00 0.00 H new ATOM 0 HG21 VAL A 22 3.962 0.105 -1.207 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.383 0.907 -1.382 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.574 -0.797 -1.858 1.00 0.00 H new ATOM 313 N LEU A 23 2.291 2.654 -5.568 1.00 0.00 N ATOM 314 CA LEU A 23 2.606 3.388 -6.789 1.00 0.00 C ATOM 315 C LEU A 23 3.954 4.091 -6.669 1.00 0.00 C ATOM 316 O LEU A 23 4.627 4.340 -7.669 1.00 0.00 O ATOM 317 CB LEU A 23 1.509 4.410 -7.091 1.00 0.00 C ATOM 318 CG LEU A 23 0.073 3.946 -6.846 1.00 0.00 C ATOM 319 CD1 LEU A 23 -0.906 5.082 -7.100 1.00 0.00 C ATOM 320 CD2 LEU A 23 -0.258 2.748 -7.724 1.00 0.00 C ATOM 0 H LEU A 23 1.850 3.217 -4.840 1.00 0.00 H new ATOM 0 HA LEU A 23 2.662 2.673 -7.609 1.00 0.00 H new ATOM 0 HB2 LEU A 23 1.691 5.298 -6.485 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.599 4.712 -8.134 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.017 3.643 -5.803 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.923 4.733 -6.921 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.683 5.911 -6.429 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.814 5.417 -8.133 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.284 2.432 -7.536 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.150 3.025 -8.773 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.423 1.928 -7.493 1.00 0.00 H new ATOM 332 N TYR A 24 4.342 4.407 -5.438 1.00 0.00 N ATOM 333 CA TYR A 24 5.610 5.083 -5.187 1.00 0.00 C ATOM 334 C TYR A 24 6.180 4.684 -3.829 1.00 0.00 C ATOM 335 O TYR A 24 5.436 4.402 -2.890 1.00 0.00 O ATOM 336 CB TYR A 24 5.425 6.600 -5.250 1.00 0.00 C ATOM 337 CG TYR A 24 4.511 7.053 -6.365 1.00 0.00 C ATOM 338 CD1 TYR A 24 3.138 7.142 -6.172 1.00 0.00 C ATOM 339 CD2 TYR A 24 5.020 7.392 -7.613 1.00 0.00 C ATOM 340 CE1 TYR A 24 2.299 7.555 -7.189 1.00 0.00 C ATOM 341 CE2 TYR A 24 4.189 7.808 -8.635 1.00 0.00 C ATOM 342 CZ TYR A 24 2.829 7.887 -8.418 1.00 0.00 C ATOM 343 OH TYR A 24 1.997 8.300 -9.433 1.00 0.00 O ATOM 0 H TYR A 24 3.797 4.206 -4.599 1.00 0.00 H new ATOM 0 HA TYR A 24 6.315 4.778 -5.960 1.00 0.00 H new ATOM 0 HB2 TYR A 24 5.023 6.948 -4.298 1.00 0.00 H new ATOM 0 HB3 TYR A 24 6.400 7.071 -5.376 1.00 0.00 H new ATOM 0 HD1 TYR A 24 2.719 6.884 -5.210 1.00 0.00 H new ATOM 0 HD2 TYR A 24 6.084 7.329 -7.787 1.00 0.00 H new ATOM 0 HE1 TYR A 24 1.234 7.617 -7.022 1.00 0.00 H new ATOM 0 HE2 TYR A 24 4.602 8.070 -9.598 1.00 0.00 H new ATOM 0 HH TYR A 24 2.529 8.497 -10.232 1.00 0.00 H new ATOM 353 N ASP A 25 7.505 4.664 -3.734 1.00 0.00 N ATOM 354 CA ASP A 25 8.176 4.302 -2.491 1.00 0.00 C ATOM 355 C ASP A 25 8.009 5.399 -1.444 1.00 0.00 C ATOM 356 O ASP A 25 8.516 6.509 -1.606 1.00 0.00 O ATOM 357 CB ASP A 25 9.662 4.045 -2.746 1.00 0.00 C ATOM 358 CG ASP A 25 10.264 5.042 -3.717 1.00 0.00 C ATOM 359 OD1 ASP A 25 10.643 6.147 -3.275 1.00 0.00 O ATOM 360 OD2 ASP A 25 10.357 4.717 -4.919 1.00 0.00 O ATOM 0 H ASP A 25 8.135 4.894 -4.502 1.00 0.00 H new ATOM 0 HA ASP A 25 7.717 3.389 -2.111 1.00 0.00 H new ATOM 0 HB2 ASP A 25 10.203 4.091 -1.801 1.00 0.00 H new ATOM 0 HB3 ASP A 25 9.791 3.036 -3.139 1.00 0.00 H new ATOM 365 N TYR A 26 7.295 5.080 -0.370 1.00 0.00 N ATOM 366 CA TYR A 26 7.058 6.039 0.703 1.00 0.00 C ATOM 367 C TYR A 26 8.048 5.834 1.845 1.00 0.00 C ATOM 368 O TYR A 26 8.572 4.737 2.039 1.00 0.00 O ATOM 369 CB TYR A 26 5.626 5.907 1.225 1.00 0.00 C ATOM 370 CG TYR A 26 5.346 6.758 2.443 1.00 0.00 C ATOM 371 CD1 TYR A 26 5.252 8.141 2.343 1.00 0.00 C ATOM 372 CD2 TYR A 26 5.173 6.179 3.694 1.00 0.00 C ATOM 373 CE1 TYR A 26 4.997 8.921 3.453 1.00 0.00 C ATOM 374 CE2 TYR A 26 4.916 6.952 4.810 1.00 0.00 C ATOM 375 CZ TYR A 26 4.829 8.323 4.684 1.00 0.00 C ATOM 376 OH TYR A 26 4.573 9.097 5.793 1.00 0.00 O ATOM 0 H TYR A 26 6.870 4.165 -0.219 1.00 0.00 H new ATOM 0 HA TYR A 26 7.200 7.041 0.299 1.00 0.00 H new ATOM 0 HB2 TYR A 26 4.932 6.183 0.431 1.00 0.00 H new ATOM 0 HB3 TYR A 26 5.432 4.863 1.469 1.00 0.00 H new ATOM 0 HD1 TYR A 26 5.381 8.614 1.380 1.00 0.00 H new ATOM 0 HD2 TYR A 26 5.241 5.106 3.796 1.00 0.00 H new ATOM 0 HE1 TYR A 26 4.929 9.995 3.358 1.00 0.00 H new ATOM 0 HE2 TYR A 26 4.784 6.486 5.775 1.00 0.00 H new ATOM 0 HH TYR A 26 4.087 9.904 5.524 1.00 0.00 H new ATOM 386 N ASP A 27 8.300 6.899 2.598 1.00 0.00 N ATOM 387 CA ASP A 27 9.226 6.839 3.723 1.00 0.00 C ATOM 388 C ASP A 27 8.540 7.271 5.015 1.00 0.00 C ATOM 389 O ASP A 27 8.250 8.450 5.211 1.00 0.00 O ATOM 390 CB ASP A 27 10.444 7.725 3.456 1.00 0.00 C ATOM 391 CG ASP A 27 11.494 7.608 4.544 1.00 0.00 C ATOM 392 OD1 ASP A 27 11.348 8.282 5.585 1.00 0.00 O ATOM 393 OD2 ASP A 27 12.461 6.842 4.354 1.00 0.00 O ATOM 0 H ASP A 27 7.876 7.815 2.450 1.00 0.00 H new ATOM 0 HA ASP A 27 9.556 5.806 3.836 1.00 0.00 H new ATOM 0 HB2 ASP A 27 10.886 7.452 2.498 1.00 0.00 H new ATOM 0 HB3 ASP A 27 10.123 8.764 3.374 1.00 0.00 H new ATOM 398 N ALA A 28 8.284 6.307 5.894 1.00 0.00 N ATOM 399 CA ALA A 28 7.633 6.588 7.167 1.00 0.00 C ATOM 400 C ALA A 28 8.416 7.624 7.967 1.00 0.00 C ATOM 401 O ALA A 28 9.635 7.527 8.101 1.00 0.00 O ATOM 402 CB ALA A 28 7.475 5.307 7.973 1.00 0.00 C ATOM 0 H ALA A 28 8.518 5.325 5.747 1.00 0.00 H new ATOM 0 HA ALA A 28 6.645 6.998 6.959 1.00 0.00 H new ATOM 0 HB1 ALA A 28 6.987 5.532 8.922 1.00 0.00 H new ATOM 0 HB2 ALA A 28 6.868 4.597 7.412 1.00 0.00 H new ATOM 0 HB3 ALA A 28 8.457 4.874 8.164 1.00 0.00 H new ATOM 408 N ALA A 29 7.706 8.616 8.495 1.00 0.00 N ATOM 409 CA ALA A 29 8.335 9.669 9.283 1.00 0.00 C ATOM 410 C ALA A 29 8.426 9.275 10.753 1.00 0.00 C ATOM 411 O ALA A 29 9.349 9.682 11.458 1.00 0.00 O ATOM 412 CB ALA A 29 7.564 10.973 9.130 1.00 0.00 C ATOM 0 H ALA A 29 6.696 8.712 8.391 1.00 0.00 H new ATOM 0 HA ALA A 29 9.349 9.813 8.910 1.00 0.00 H new ATOM 0 HB1 ALA A 29 8.044 11.751 9.723 1.00 0.00 H new ATOM 0 HB2 ALA A 29 7.555 11.270 8.081 1.00 0.00 H new ATOM 0 HB3 ALA A 29 6.540 10.833 9.476 1.00 0.00 H new ATOM 418 N ASN A 30 7.463 8.482 11.210 1.00 0.00 N ATOM 419 CA ASN A 30 7.434 8.034 12.597 1.00 0.00 C ATOM 420 C ASN A 30 7.078 6.554 12.684 1.00 0.00 C ATOM 421 O ASN A 30 6.561 5.972 11.730 1.00 0.00 O ATOM 422 CB ASN A 30 6.428 8.861 13.401 1.00 0.00 C ATOM 423 CG ASN A 30 5.273 9.352 12.551 1.00 0.00 C ATOM 424 OD1 ASN A 30 4.678 8.447 11.782 1.00 0.00 O flip ATOM 425 ND2 ASN A 30 4.919 10.530 12.585 1.00 0.00 N flip ATOM 0 H ASN A 30 6.692 8.136 10.639 1.00 0.00 H new ATOM 0 HA ASN A 30 8.429 8.175 13.019 1.00 0.00 H new ATOM 0 HB2 ASN A 30 6.041 8.258 14.222 1.00 0.00 H new ATOM 0 HB3 ASN A 30 6.937 9.716 13.846 1.00 0.00 H new ATOM 0 HD21 ASN A 30 5.405 11.191 13.191 1.00 0.00 H new ATOM 0 HD22 ASN A 30 4.140 10.845 12.007 1.00 0.00 H new ATOM 432 N SER A 31 7.356 5.950 13.835 1.00 0.00 N ATOM 433 CA SER A 31 7.068 4.536 14.046 1.00 0.00 C ATOM 434 C SER A 31 5.679 4.181 13.525 1.00 0.00 C ATOM 435 O SER A 31 5.529 3.325 12.652 1.00 0.00 O ATOM 436 CB SER A 31 7.172 4.189 15.532 1.00 0.00 C ATOM 437 OG SER A 31 7.218 2.786 15.726 1.00 0.00 O ATOM 0 H SER A 31 7.780 6.418 14.636 1.00 0.00 H new ATOM 0 HA SER A 31 7.804 3.954 13.492 1.00 0.00 H new ATOM 0 HB2 SER A 31 8.067 4.647 15.954 1.00 0.00 H new ATOM 0 HB3 SER A 31 6.318 4.605 16.067 1.00 0.00 H new ATOM 0 HG SER A 31 7.286 2.590 16.684 1.00 0.00 H new ATOM 443 N THR A 32 4.663 4.846 14.067 1.00 0.00 N ATOM 444 CA THR A 32 3.285 4.601 13.660 1.00 0.00 C ATOM 445 C THR A 32 3.184 4.412 12.151 1.00 0.00 C ATOM 446 O THR A 32 2.382 3.612 11.669 1.00 0.00 O ATOM 447 CB THR A 32 2.360 5.758 14.084 1.00 0.00 C ATOM 448 OG1 THR A 32 2.984 7.014 13.796 1.00 0.00 O ATOM 449 CG2 THR A 32 2.036 5.675 15.568 1.00 0.00 C ATOM 0 H THR A 32 4.769 5.559 14.789 1.00 0.00 H new ATOM 0 HA THR A 32 2.965 3.687 14.161 1.00 0.00 H new ATOM 0 HB THR A 32 1.431 5.677 13.520 1.00 0.00 H new ATOM 0 HG1 THR A 32 3.324 7.007 12.877 1.00 0.00 H new ATOM 0 HG21 THR A 32 1.382 6.502 15.844 1.00 0.00 H new ATOM 0 HG22 THR A 32 1.535 4.730 15.779 1.00 0.00 H new ATOM 0 HG23 THR A 32 2.958 5.734 16.146 1.00 0.00 H new ATOM 457 N GLU A 33 4.002 5.152 11.409 1.00 0.00 N ATOM 458 CA GLU A 33 4.003 5.064 9.954 1.00 0.00 C ATOM 459 C GLU A 33 4.972 3.987 9.474 1.00 0.00 C ATOM 460 O GLU A 33 5.966 3.690 10.138 1.00 0.00 O ATOM 461 CB GLU A 33 4.379 6.414 9.339 1.00 0.00 C ATOM 462 CG GLU A 33 3.247 7.428 9.358 1.00 0.00 C ATOM 463 CD GLU A 33 3.707 8.823 8.984 1.00 0.00 C ATOM 464 OE1 GLU A 33 4.847 9.187 9.343 1.00 0.00 O ATOM 465 OE2 GLU A 33 2.929 9.551 8.333 1.00 0.00 O ATOM 0 H GLU A 33 4.672 5.819 11.792 1.00 0.00 H new ATOM 0 HA GLU A 33 2.997 4.793 9.632 1.00 0.00 H new ATOM 0 HB2 GLU A 33 5.232 6.825 9.879 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.699 6.258 8.309 1.00 0.00 H new ATOM 0 HG2 GLU A 33 2.467 7.109 8.667 1.00 0.00 H new ATOM 0 HG3 GLU A 33 2.801 7.451 10.353 1.00 0.00 H new ATOM 472 N LEU A 34 4.675 3.405 8.317 1.00 0.00 N ATOM 473 CA LEU A 34 5.518 2.361 7.748 1.00 0.00 C ATOM 474 C LEU A 34 6.023 2.762 6.366 1.00 0.00 C ATOM 475 O LEU A 34 5.346 3.481 5.631 1.00 0.00 O ATOM 476 CB LEU A 34 4.744 1.045 7.658 1.00 0.00 C ATOM 477 CG LEU A 34 4.860 0.114 8.866 1.00 0.00 C ATOM 478 CD1 LEU A 34 4.054 -1.156 8.641 1.00 0.00 C ATOM 479 CD2 LEU A 34 6.318 -0.220 9.144 1.00 0.00 C ATOM 0 H LEU A 34 3.856 3.639 7.755 1.00 0.00 H new ATOM 0 HA LEU A 34 6.378 2.225 8.404 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.690 1.276 7.503 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.085 0.505 6.775 1.00 0.00 H new ATOM 0 HG LEU A 34 4.453 0.628 9.737 1.00 0.00 H new ATOM 0 HD11 LEU A 34 4.149 -1.806 9.511 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.005 -0.900 8.492 1.00 0.00 H new ATOM 0 HD13 LEU A 34 4.430 -1.674 7.759 1.00 0.00 H new ATOM 0 HD21 LEU A 34 6.381 -0.883 10.007 1.00 0.00 H new ATOM 0 HD22 LEU A 34 6.750 -0.714 8.274 1.00 0.00 H new ATOM 0 HD23 LEU A 34 6.868 0.698 9.351 1.00 0.00 H new ATOM 491 N SER A 35 7.216 2.290 6.017 1.00 0.00 N ATOM 492 CA SER A 35 7.813 2.601 4.723 1.00 0.00 C ATOM 493 C SER A 35 7.222 1.720 3.627 1.00 0.00 C ATOM 494 O SER A 35 6.888 0.558 3.860 1.00 0.00 O ATOM 495 CB SER A 35 9.331 2.414 4.780 1.00 0.00 C ATOM 496 OG SER A 35 9.960 3.534 5.379 1.00 0.00 O ATOM 0 H SER A 35 7.788 1.691 6.612 1.00 0.00 H new ATOM 0 HA SER A 35 7.591 3.642 4.488 1.00 0.00 H new ATOM 0 HB2 SER A 35 9.569 1.513 5.346 1.00 0.00 H new ATOM 0 HB3 SER A 35 9.721 2.269 3.772 1.00 0.00 H new ATOM 0 HG SER A 35 10.929 3.390 5.405 1.00 0.00 H new ATOM 502 N LEU A 36 7.095 2.282 2.430 1.00 0.00 N ATOM 503 CA LEU A 36 6.544 1.549 1.295 1.00 0.00 C ATOM 504 C LEU A 36 7.469 1.643 0.086 1.00 0.00 C ATOM 505 O LEU A 36 8.172 2.638 -0.096 1.00 0.00 O ATOM 506 CB LEU A 36 5.160 2.092 0.936 1.00 0.00 C ATOM 507 CG LEU A 36 4.180 2.254 2.099 1.00 0.00 C ATOM 508 CD1 LEU A 36 2.971 3.069 1.669 1.00 0.00 C ATOM 509 CD2 LEU A 36 3.749 0.893 2.627 1.00 0.00 C ATOM 0 H LEU A 36 7.366 3.243 2.220 1.00 0.00 H new ATOM 0 HA LEU A 36 6.454 0.501 1.580 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.286 3.062 0.455 1.00 0.00 H new ATOM 0 HB3 LEU A 36 4.711 1.427 0.199 1.00 0.00 H new ATOM 0 HG LEU A 36 4.685 2.789 2.903 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.285 3.174 2.510 1.00 0.00 H new ATOM 0 HD12 LEU A 36 3.296 4.056 1.341 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.464 2.562 0.848 1.00 0.00 H new ATOM 0 HD21 LEU A 36 3.052 1.028 3.454 1.00 0.00 H new ATOM 0 HD22 LEU A 36 3.262 0.331 1.830 1.00 0.00 H new ATOM 0 HD23 LEU A 36 4.624 0.344 2.976 1.00 0.00 H new ATOM 521 N LEU A 37 7.461 0.602 -0.740 1.00 0.00 N ATOM 522 CA LEU A 37 8.298 0.568 -1.935 1.00 0.00 C ATOM 523 C LEU A 37 7.445 0.632 -3.198 1.00 0.00 C ATOM 524 O LEU A 37 6.248 0.349 -3.166 1.00 0.00 O ATOM 525 CB LEU A 37 9.153 -0.701 -1.946 1.00 0.00 C ATOM 526 CG LEU A 37 10.414 -0.668 -1.083 1.00 0.00 C ATOM 527 CD1 LEU A 37 10.958 -2.073 -0.878 1.00 0.00 C ATOM 528 CD2 LEU A 37 11.470 0.228 -1.715 1.00 0.00 C ATOM 0 H LEU A 37 6.885 -0.229 -0.605 1.00 0.00 H new ATOM 0 HA LEU A 37 8.953 1.439 -1.916 1.00 0.00 H new ATOM 0 HB2 LEU A 37 8.533 -1.535 -1.617 1.00 0.00 H new ATOM 0 HB3 LEU A 37 9.447 -0.908 -2.975 1.00 0.00 H new ATOM 0 HG LEU A 37 10.153 -0.256 -0.108 1.00 0.00 H new ATOM 0 HD11 LEU A 37 11.856 -2.029 -0.261 1.00 0.00 H new ATOM 0 HD12 LEU A 37 10.206 -2.685 -0.381 1.00 0.00 H new ATOM 0 HD13 LEU A 37 11.203 -2.513 -1.845 1.00 0.00 H new ATOM 0 HD21 LEU A 37 12.361 0.239 -1.087 1.00 0.00 H new ATOM 0 HD22 LEU A 37 11.727 -0.154 -2.703 1.00 0.00 H new ATOM 0 HD23 LEU A 37 11.079 1.241 -1.808 1.00 0.00 H new ATOM 540 N ALA A 38 8.072 1.003 -4.310 1.00 0.00 N ATOM 541 CA ALA A 38 7.372 1.100 -5.585 1.00 0.00 C ATOM 542 C ALA A 38 7.223 -0.271 -6.235 1.00 0.00 C ATOM 543 O ALA A 38 8.189 -1.028 -6.338 1.00 0.00 O ATOM 544 CB ALA A 38 8.105 2.052 -6.518 1.00 0.00 C ATOM 0 H ALA A 38 9.063 1.241 -4.353 1.00 0.00 H new ATOM 0 HA ALA A 38 6.373 1.493 -5.394 1.00 0.00 H new ATOM 0 HB1 ALA A 38 7.571 2.115 -7.466 1.00 0.00 H new ATOM 0 HB2 ALA A 38 8.154 3.041 -6.063 1.00 0.00 H new ATOM 0 HB3 ALA A 38 9.115 1.683 -6.694 1.00 0.00 H new ATOM 550 N ASP A 39 6.009 -0.586 -6.671 1.00 0.00 N ATOM 551 CA ASP A 39 5.734 -1.866 -7.312 1.00 0.00 C ATOM 552 C ASP A 39 5.687 -2.990 -6.282 1.00 0.00 C ATOM 553 O ASP A 39 6.180 -4.090 -6.527 1.00 0.00 O ATOM 554 CB ASP A 39 6.797 -2.171 -8.369 1.00 0.00 C ATOM 555 CG ASP A 39 7.205 -0.938 -9.152 1.00 0.00 C ATOM 556 OD1 ASP A 39 6.356 -0.398 -9.891 1.00 0.00 O ATOM 557 OD2 ASP A 39 8.373 -0.515 -9.026 1.00 0.00 O ATOM 0 H ASP A 39 5.199 0.028 -6.592 1.00 0.00 H new ATOM 0 HA ASP A 39 4.760 -1.800 -7.796 1.00 0.00 H new ATOM 0 HB2 ASP A 39 7.675 -2.597 -7.884 1.00 0.00 H new ATOM 0 HB3 ASP A 39 6.415 -2.925 -9.057 1.00 0.00 H new ATOM 562 N GLU A 40 5.090 -2.705 -5.129 1.00 0.00 N ATOM 563 CA GLU A 40 4.981 -3.692 -4.061 1.00 0.00 C ATOM 564 C GLU A 40 3.573 -3.703 -3.473 1.00 0.00 C ATOM 565 O GLU A 40 2.992 -2.651 -3.201 1.00 0.00 O ATOM 566 CB GLU A 40 6.003 -3.400 -2.960 1.00 0.00 C ATOM 567 CG GLU A 40 5.476 -2.485 -1.868 1.00 0.00 C ATOM 568 CD GLU A 40 6.409 -2.404 -0.675 1.00 0.00 C ATOM 569 OE1 GLU A 40 7.412 -3.147 -0.654 1.00 0.00 O ATOM 570 OE2 GLU A 40 6.135 -1.596 0.238 1.00 0.00 O ATOM 0 H GLU A 40 4.675 -1.799 -4.911 1.00 0.00 H new ATOM 0 HA GLU A 40 5.187 -4.674 -4.486 1.00 0.00 H new ATOM 0 HB2 GLU A 40 6.321 -4.341 -2.512 1.00 0.00 H new ATOM 0 HB3 GLU A 40 6.887 -2.946 -3.408 1.00 0.00 H new ATOM 0 HG2 GLU A 40 5.327 -1.486 -2.277 1.00 0.00 H new ATOM 0 HG3 GLU A 40 4.501 -2.843 -1.538 1.00 0.00 H new ATOM 577 N VAL A 41 3.028 -4.900 -3.278 1.00 0.00 N ATOM 578 CA VAL A 41 1.689 -5.049 -2.722 1.00 0.00 C ATOM 579 C VAL A 41 1.741 -5.624 -1.311 1.00 0.00 C ATOM 580 O VAL A 41 2.276 -6.711 -1.091 1.00 0.00 O ATOM 581 CB VAL A 41 0.814 -5.961 -3.603 1.00 0.00 C ATOM 582 CG1 VAL A 41 -0.444 -6.378 -2.856 1.00 0.00 C ATOM 583 CG2 VAL A 41 0.461 -5.261 -4.907 1.00 0.00 C ATOM 0 H VAL A 41 3.494 -5.781 -3.497 1.00 0.00 H new ATOM 0 HA VAL A 41 1.247 -4.053 -2.690 1.00 0.00 H new ATOM 0 HB VAL A 41 1.382 -6.861 -3.841 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.050 -7.022 -3.494 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.167 -6.920 -1.952 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -1.018 -5.491 -2.586 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -0.157 -5.919 -5.517 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -0.088 -4.345 -4.691 1.00 0.00 H new ATOM 0 HG23 VAL A 41 1.375 -5.017 -5.448 1.00 0.00 H new ATOM 593 N ILE A 42 1.182 -4.886 -0.357 1.00 0.00 N ATOM 594 CA ILE A 42 1.164 -5.323 1.034 1.00 0.00 C ATOM 595 C ILE A 42 -0.264 -5.422 1.560 1.00 0.00 C ATOM 596 O ILE A 42 -1.220 -5.080 0.863 1.00 0.00 O ATOM 597 CB ILE A 42 1.966 -4.366 1.935 1.00 0.00 C ATOM 598 CG1 ILE A 42 1.367 -2.959 1.882 1.00 0.00 C ATOM 599 CG2 ILE A 42 3.428 -4.342 1.514 1.00 0.00 C ATOM 600 CD1 ILE A 42 1.774 -2.085 3.048 1.00 0.00 C ATOM 0 H ILE A 42 0.736 -3.984 -0.522 1.00 0.00 H new ATOM 0 HA ILE A 42 1.628 -6.309 1.061 1.00 0.00 H new ATOM 0 HB ILE A 42 1.910 -4.726 2.962 1.00 0.00 H new ATOM 0 HG12 ILE A 42 1.673 -2.477 0.953 1.00 0.00 H new ATOM 0 HG13 ILE A 42 0.280 -3.036 1.858 1.00 0.00 H new ATOM 0 HG21 ILE A 42 3.982 -3.661 2.160 1.00 0.00 H new ATOM 0 HG22 ILE A 42 3.848 -5.344 1.599 1.00 0.00 H new ATOM 0 HG23 ILE A 42 3.504 -4.003 0.481 1.00 0.00 H new ATOM 0 HD11 ILE A 42 1.313 -1.103 2.945 1.00 0.00 H new ATOM 0 HD12 ILE A 42 1.444 -2.545 3.980 1.00 0.00 H new ATOM 0 HD13 ILE A 42 2.859 -1.977 3.061 1.00 0.00 H new ATOM 612 N THR A 43 -0.402 -5.892 2.796 1.00 0.00 N ATOM 613 CA THR A 43 -1.713 -6.036 3.417 1.00 0.00 C ATOM 614 C THR A 43 -2.144 -4.743 4.098 1.00 0.00 C ATOM 615 O THR A 43 -1.479 -4.262 5.016 1.00 0.00 O ATOM 616 CB THR A 43 -1.722 -7.176 4.452 1.00 0.00 C ATOM 617 OG1 THR A 43 -1.510 -8.433 3.799 1.00 0.00 O ATOM 618 CG2 THR A 43 -3.040 -7.208 5.210 1.00 0.00 C ATOM 0 H THR A 43 0.378 -6.179 3.387 1.00 0.00 H new ATOM 0 HA THR A 43 -2.416 -6.274 2.619 1.00 0.00 H new ATOM 0 HB THR A 43 -0.916 -6.997 5.164 1.00 0.00 H new ATOM 0 HG1 THR A 43 -1.515 -9.152 4.464 1.00 0.00 H new ATOM 0 HG21 THR A 43 -3.023 -8.021 5.935 1.00 0.00 H new ATOM 0 HG22 THR A 43 -3.184 -6.261 5.730 1.00 0.00 H new ATOM 0 HG23 THR A 43 -3.859 -7.365 4.509 1.00 0.00 H new ATOM 626 N VAL A 44 -3.260 -4.183 3.643 1.00 0.00 N ATOM 627 CA VAL A 44 -3.781 -2.945 4.211 1.00 0.00 C ATOM 628 C VAL A 44 -5.158 -3.160 4.828 1.00 0.00 C ATOM 629 O VAL A 44 -5.954 -3.958 4.333 1.00 0.00 O ATOM 630 CB VAL A 44 -3.874 -1.835 3.147 1.00 0.00 C ATOM 631 CG1 VAL A 44 -2.487 -1.444 2.660 1.00 0.00 C ATOM 632 CG2 VAL A 44 -4.749 -2.283 1.986 1.00 0.00 C ATOM 0 H VAL A 44 -3.821 -4.567 2.883 1.00 0.00 H new ATOM 0 HA VAL A 44 -3.083 -2.635 4.988 1.00 0.00 H new ATOM 0 HB VAL A 44 -4.334 -0.957 3.602 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -2.573 -0.659 1.909 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -1.896 -1.079 3.500 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -1.997 -2.313 2.222 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -4.804 -1.487 1.243 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -4.320 -3.175 1.530 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -5.751 -2.508 2.351 1.00 0.00 H new ATOM 642 N PHE A 45 -5.434 -2.441 5.911 1.00 0.00 N ATOM 643 CA PHE A 45 -6.716 -2.553 6.597 1.00 0.00 C ATOM 644 C PHE A 45 -7.032 -1.277 7.371 1.00 0.00 C ATOM 645 O PHE A 45 -6.138 -0.634 7.921 1.00 0.00 O ATOM 646 CB PHE A 45 -6.707 -3.751 7.548 1.00 0.00 C ATOM 647 CG PHE A 45 -5.473 -3.830 8.401 1.00 0.00 C ATOM 648 CD1 PHE A 45 -4.231 -4.048 7.827 1.00 0.00 C ATOM 649 CD2 PHE A 45 -5.554 -3.685 9.776 1.00 0.00 C ATOM 650 CE1 PHE A 45 -3.093 -4.121 8.608 1.00 0.00 C ATOM 651 CE2 PHE A 45 -4.420 -3.757 10.563 1.00 0.00 C ATOM 652 CZ PHE A 45 -3.188 -3.976 9.978 1.00 0.00 C ATOM 0 H PHE A 45 -4.787 -1.775 6.333 1.00 0.00 H new ATOM 0 HA PHE A 45 -7.490 -2.702 5.844 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -7.583 -3.698 8.194 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -6.796 -4.668 6.965 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -4.151 -4.162 6.756 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -6.515 -3.514 10.239 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -2.131 -4.291 8.148 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -4.497 -3.642 11.634 1.00 0.00 H new ATOM 0 HZ PHE A 45 -2.301 -4.034 10.591 1.00 0.00 H new ATOM 662 N SER A 46 -8.311 -0.915 7.408 1.00 0.00 N ATOM 663 CA SER A 46 -8.746 0.286 8.110 1.00 0.00 C ATOM 664 C SER A 46 -8.967 -0.001 9.592 1.00 0.00 C ATOM 665 O SER A 46 -9.525 -1.035 9.960 1.00 0.00 O ATOM 666 CB SER A 46 -10.033 0.830 7.487 1.00 0.00 C ATOM 667 OG SER A 46 -9.940 0.862 6.073 1.00 0.00 O ATOM 0 H SER A 46 -9.064 -1.437 6.960 1.00 0.00 H new ATOM 0 HA SER A 46 -7.961 1.036 8.016 1.00 0.00 H new ATOM 0 HB2 SER A 46 -10.877 0.208 7.785 1.00 0.00 H new ATOM 0 HB3 SER A 46 -10.228 1.834 7.865 1.00 0.00 H new ATOM 0 HG SER A 46 -10.775 1.212 5.698 1.00 0.00 H new ATOM 673 N VAL A 47 -8.525 0.923 10.440 1.00 0.00 N ATOM 674 CA VAL A 47 -8.675 0.771 11.882 1.00 0.00 C ATOM 675 C VAL A 47 -9.486 1.918 12.474 1.00 0.00 C ATOM 676 O VAL A 47 -9.351 3.069 12.057 1.00 0.00 O ATOM 677 CB VAL A 47 -7.306 0.708 12.586 1.00 0.00 C ATOM 678 CG1 VAL A 47 -7.481 0.429 14.070 1.00 0.00 C ATOM 679 CG2 VAL A 47 -6.422 -0.346 11.936 1.00 0.00 C ATOM 0 H VAL A 47 -8.060 1.784 10.153 1.00 0.00 H new ATOM 0 HA VAL A 47 -9.204 -0.168 12.048 1.00 0.00 H new ATOM 0 HB VAL A 47 -6.816 1.676 12.479 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -6.503 0.388 14.550 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -8.074 1.224 14.522 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -7.991 -0.525 14.203 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -5.459 -0.377 12.445 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -6.904 -1.321 12.010 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -6.269 -0.096 10.886 1.00 0.00 H new ATOM 689 N VAL A 48 -10.330 1.598 13.450 1.00 0.00 N ATOM 690 CA VAL A 48 -11.162 2.601 14.102 1.00 0.00 C ATOM 691 C VAL A 48 -10.374 3.877 14.374 1.00 0.00 C ATOM 692 O VAL A 48 -9.226 3.828 14.814 1.00 0.00 O ATOM 693 CB VAL A 48 -11.740 2.076 15.429 1.00 0.00 C ATOM 694 CG1 VAL A 48 -12.241 3.228 16.287 1.00 0.00 C ATOM 695 CG2 VAL A 48 -12.854 1.074 15.165 1.00 0.00 C ATOM 0 H VAL A 48 -10.455 0.651 13.806 1.00 0.00 H new ATOM 0 HA VAL A 48 -11.982 2.822 13.419 1.00 0.00 H new ATOM 0 HB VAL A 48 -10.946 1.567 15.975 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -12.646 2.837 17.221 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -11.415 3.905 16.505 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -13.021 3.768 15.751 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -13.251 0.713 16.114 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -13.650 1.556 14.598 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -12.460 0.234 14.594 1.00 0.00 H new ATOM 705 N GLY A 49 -10.998 5.021 14.108 1.00 0.00 N ATOM 706 CA GLY A 49 -10.339 6.295 14.330 1.00 0.00 C ATOM 707 C GLY A 49 -9.422 6.680 13.187 1.00 0.00 C ATOM 708 O GLY A 49 -9.316 7.855 12.837 1.00 0.00 O ATOM 0 H GLY A 49 -11.948 5.088 13.743 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -11.092 7.071 14.465 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -9.762 6.246 15.254 1.00 0.00 H new ATOM 712 N MET A 50 -8.755 5.689 12.605 1.00 0.00 N ATOM 713 CA MET A 50 -7.841 5.931 11.495 1.00 0.00 C ATOM 714 C MET A 50 -8.456 6.896 10.485 1.00 0.00 C ATOM 715 O MET A 50 -9.677 7.024 10.400 1.00 0.00 O ATOM 716 CB MET A 50 -7.482 4.614 10.806 1.00 0.00 C ATOM 717 CG MET A 50 -6.492 4.776 9.663 1.00 0.00 C ATOM 718 SD MET A 50 -5.755 3.211 9.155 1.00 0.00 S ATOM 719 CE MET A 50 -4.137 3.336 9.914 1.00 0.00 C ATOM 0 H MET A 50 -8.830 4.711 12.884 1.00 0.00 H new ATOM 0 HA MET A 50 -6.933 6.382 11.896 1.00 0.00 H new ATOM 0 HB2 MET A 50 -7.064 3.930 11.544 1.00 0.00 H new ATOM 0 HB3 MET A 50 -8.393 4.153 10.424 1.00 0.00 H new ATOM 0 HG2 MET A 50 -6.998 5.228 8.810 1.00 0.00 H new ATOM 0 HG3 MET A 50 -5.702 5.463 9.966 1.00 0.00 H new ATOM 0 HE1 MET A 50 -3.592 2.404 9.765 1.00 0.00 H new ATOM 0 HE2 MET A 50 -3.584 4.157 9.458 1.00 0.00 H new ATOM 0 HE3 MET A 50 -4.250 3.524 10.982 1.00 0.00 H new ATOM 729 N ASP A 51 -7.602 7.571 9.724 1.00 0.00 N ATOM 730 CA ASP A 51 -8.062 8.523 8.720 1.00 0.00 C ATOM 731 C ASP A 51 -8.327 7.825 7.390 1.00 0.00 C ATOM 732 O ASP A 51 -7.699 6.816 7.071 1.00 0.00 O ATOM 733 CB ASP A 51 -7.028 9.634 8.529 1.00 0.00 C ATOM 734 CG ASP A 51 -6.209 9.884 9.780 1.00 0.00 C ATOM 735 OD1 ASP A 51 -6.628 10.722 10.605 1.00 0.00 O ATOM 736 OD2 ASP A 51 -5.149 9.242 9.933 1.00 0.00 O ATOM 0 H ASP A 51 -6.588 7.477 9.783 1.00 0.00 H new ATOM 0 HA ASP A 51 -8.996 8.962 9.072 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -6.361 9.369 7.709 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -7.537 10.554 8.241 1.00 0.00 H new ATOM 741 N SER A 52 -9.263 8.368 6.618 1.00 0.00 N ATOM 742 CA SER A 52 -9.616 7.795 5.325 1.00 0.00 C ATOM 743 C SER A 52 -8.441 7.879 4.355 1.00 0.00 C ATOM 744 O SER A 52 -8.392 7.159 3.358 1.00 0.00 O ATOM 745 CB SER A 52 -10.830 8.516 4.737 1.00 0.00 C ATOM 746 OG SER A 52 -10.845 8.419 3.323 1.00 0.00 O ATOM 0 H SER A 52 -9.791 9.205 6.866 1.00 0.00 H new ATOM 0 HA SER A 52 -9.865 6.745 5.477 1.00 0.00 H new ATOM 0 HB2 SER A 52 -11.745 8.085 5.144 1.00 0.00 H new ATOM 0 HB3 SER A 52 -10.812 9.565 5.033 1.00 0.00 H new ATOM 0 HG SER A 52 -11.631 8.886 2.971 1.00 0.00 H new ATOM 752 N ASP A 53 -7.496 8.763 4.655 1.00 0.00 N ATOM 753 CA ASP A 53 -6.320 8.942 3.811 1.00 0.00 C ATOM 754 C ASP A 53 -5.134 8.155 4.359 1.00 0.00 C ATOM 755 O ASP A 53 -3.986 8.411 3.995 1.00 0.00 O ATOM 756 CB ASP A 53 -5.961 10.425 3.709 1.00 0.00 C ATOM 757 CG ASP A 53 -7.145 11.282 3.305 1.00 0.00 C ATOM 758 OD1 ASP A 53 -7.813 10.938 2.308 1.00 0.00 O ATOM 759 OD2 ASP A 53 -7.403 12.296 3.986 1.00 0.00 O ATOM 0 H ASP A 53 -7.521 9.367 5.476 1.00 0.00 H new ATOM 0 HA ASP A 53 -6.555 8.564 2.816 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -5.578 10.770 4.669 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -5.159 10.552 2.982 1.00 0.00 H new ATOM 764 N TRP A 54 -5.419 7.198 5.234 1.00 0.00 N ATOM 765 CA TRP A 54 -4.375 6.374 5.833 1.00 0.00 C ATOM 766 C TRP A 54 -4.918 5.002 6.217 1.00 0.00 C ATOM 767 O TRP A 54 -5.954 4.895 6.875 1.00 0.00 O ATOM 768 CB TRP A 54 -3.792 7.069 7.064 1.00 0.00 C ATOM 769 CG TRP A 54 -3.000 8.298 6.733 1.00 0.00 C ATOM 770 CD1 TRP A 54 -3.481 9.566 6.581 1.00 0.00 C ATOM 771 CD2 TRP A 54 -1.587 8.373 6.513 1.00 0.00 C ATOM 772 NE1 TRP A 54 -2.453 10.426 6.279 1.00 0.00 N ATOM 773 CE2 TRP A 54 -1.281 9.719 6.232 1.00 0.00 C ATOM 774 CE3 TRP A 54 -0.551 7.435 6.527 1.00 0.00 C ATOM 775 CZ2 TRP A 54 0.018 10.147 5.967 1.00 0.00 C ATOM 776 CZ3 TRP A 54 0.737 7.861 6.264 1.00 0.00 C ATOM 777 CH2 TRP A 54 1.012 9.207 5.987 1.00 0.00 C ATOM 0 H TRP A 54 -6.364 6.973 5.545 1.00 0.00 H new ATOM 0 HA TRP A 54 -3.585 6.237 5.094 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -4.604 7.340 7.738 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -3.153 6.367 7.600 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -4.518 9.852 6.683 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -2.547 11.428 6.116 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -0.753 6.396 6.740 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 0.233 11.184 5.753 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 1.545 7.145 6.272 1.00 0.00 H new ATOM 0 HH2 TRP A 54 2.029 9.508 5.785 1.00 0.00 H new ATOM 788 N LEU A 55 -4.213 3.955 5.804 1.00 0.00 N ATOM 789 CA LEU A 55 -4.625 2.588 6.106 1.00 0.00 C ATOM 790 C LEU A 55 -3.601 1.896 7.000 1.00 0.00 C ATOM 791 O LEU A 55 -2.537 2.447 7.284 1.00 0.00 O ATOM 792 CB LEU A 55 -4.809 1.793 4.812 1.00 0.00 C ATOM 793 CG LEU A 55 -6.194 1.870 4.169 1.00 0.00 C ATOM 794 CD1 LEU A 55 -6.158 1.312 2.755 1.00 0.00 C ATOM 795 CD2 LEU A 55 -7.217 1.123 5.013 1.00 0.00 C ATOM 0 H LEU A 55 -3.354 4.026 5.259 1.00 0.00 H new ATOM 0 HA LEU A 55 -5.575 2.630 6.638 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -4.074 2.142 4.087 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -4.583 0.747 5.017 1.00 0.00 H new ATOM 0 HG LEU A 55 -6.491 2.917 4.117 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -7.153 1.375 2.314 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.457 1.890 2.153 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -5.839 0.270 2.783 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -8.197 1.189 4.540 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -6.924 0.076 5.098 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -7.264 1.568 6.007 1.00 0.00 H new ATOM 807 N MET A 56 -3.929 0.686 7.439 1.00 0.00 N ATOM 808 CA MET A 56 -3.036 -0.083 8.299 1.00 0.00 C ATOM 809 C MET A 56 -2.192 -1.053 7.477 1.00 0.00 C ATOM 810 O MET A 56 -2.664 -2.116 7.076 1.00 0.00 O ATOM 811 CB MET A 56 -3.841 -0.852 9.348 1.00 0.00 C ATOM 812 CG MET A 56 -3.079 -1.093 10.641 1.00 0.00 C ATOM 813 SD MET A 56 -2.512 0.437 11.409 1.00 0.00 S ATOM 814 CE MET A 56 -0.919 -0.075 12.049 1.00 0.00 C ATOM 0 H MET A 56 -4.806 0.216 7.214 1.00 0.00 H new ATOM 0 HA MET A 56 -2.368 0.615 8.804 1.00 0.00 H new ATOM 0 HB2 MET A 56 -4.754 -0.299 9.571 1.00 0.00 H new ATOM 0 HB3 MET A 56 -4.144 -1.812 8.930 1.00 0.00 H new ATOM 0 HG2 MET A 56 -3.719 -1.631 11.341 1.00 0.00 H new ATOM 0 HG3 MET A 56 -2.220 -1.733 10.438 1.00 0.00 H new ATOM 0 HE1 MET A 56 -0.333 0.805 12.312 1.00 0.00 H new ATOM 0 HE2 MET A 56 -1.064 -0.693 12.935 1.00 0.00 H new ATOM 0 HE3 MET A 56 -0.389 -0.650 11.289 1.00 0.00 H new ATOM 824 N GLY A 57 -0.941 -0.678 7.229 1.00 0.00 N ATOM 825 CA GLY A 57 -0.052 -1.525 6.456 1.00 0.00 C ATOM 826 C GLY A 57 0.716 -2.503 7.323 1.00 0.00 C ATOM 827 O GLY A 57 1.038 -2.203 8.473 1.00 0.00 O ATOM 0 H GLY A 57 -0.527 0.197 7.550 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -0.633 -2.077 5.717 1.00 0.00 H new ATOM 0 HA3 GLY A 57 0.652 -0.901 5.906 1.00 0.00 H new ATOM 831 N GLU A 58 1.009 -3.677 6.772 1.00 0.00 N ATOM 832 CA GLU A 58 1.742 -4.702 7.505 1.00 0.00 C ATOM 833 C GLU A 58 2.822 -5.331 6.628 1.00 0.00 C ATOM 834 O GLU A 58 2.522 -6.064 5.686 1.00 0.00 O ATOM 835 CB GLU A 58 0.784 -5.784 8.008 1.00 0.00 C ATOM 836 CG GLU A 58 1.422 -6.755 8.987 1.00 0.00 C ATOM 837 CD GLU A 58 0.473 -7.857 9.418 1.00 0.00 C ATOM 838 OE1 GLU A 58 0.153 -8.726 8.581 1.00 0.00 O ATOM 839 OE2 GLU A 58 0.052 -7.849 10.594 1.00 0.00 O ATOM 0 H GLU A 58 0.750 -3.941 5.821 1.00 0.00 H new ATOM 0 HA GLU A 58 2.223 -4.227 8.360 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -0.070 -5.306 8.488 1.00 0.00 H new ATOM 0 HB3 GLU A 58 0.399 -6.342 7.154 1.00 0.00 H new ATOM 0 HG2 GLU A 58 2.305 -7.200 8.528 1.00 0.00 H new ATOM 0 HG3 GLU A 58 1.761 -6.208 9.867 1.00 0.00 H new ATOM 846 N ARG A 59 4.078 -5.038 6.946 1.00 0.00 N ATOM 847 CA ARG A 59 5.203 -5.573 6.187 1.00 0.00 C ATOM 848 C ARG A 59 6.064 -6.482 7.059 1.00 0.00 C ATOM 849 O ARG A 59 6.608 -6.052 8.075 1.00 0.00 O ATOM 850 CB ARG A 59 6.054 -4.433 5.625 1.00 0.00 C ATOM 851 CG ARG A 59 6.756 -4.782 4.322 1.00 0.00 C ATOM 852 CD ARG A 59 7.334 -3.545 3.652 1.00 0.00 C ATOM 853 NE ARG A 59 8.531 -3.062 4.335 1.00 0.00 N ATOM 854 CZ ARG A 59 9.112 -1.899 4.064 1.00 0.00 C ATOM 855 NH1 ARG A 59 8.609 -1.104 3.129 1.00 0.00 N ATOM 856 NH2 ARG A 59 10.199 -1.528 4.729 1.00 0.00 N ATOM 0 H ARG A 59 4.343 -4.433 7.724 1.00 0.00 H new ATOM 0 HA ARG A 59 4.804 -6.162 5.361 1.00 0.00 H new ATOM 0 HB2 ARG A 59 5.419 -3.562 5.464 1.00 0.00 H new ATOM 0 HB3 ARG A 59 6.801 -4.149 6.366 1.00 0.00 H new ATOM 0 HG2 ARG A 59 7.554 -5.498 4.518 1.00 0.00 H new ATOM 0 HG3 ARG A 59 6.052 -5.267 3.647 1.00 0.00 H new ATOM 0 HD2 ARG A 59 7.576 -3.774 2.614 1.00 0.00 H new ATOM 0 HD3 ARG A 59 6.582 -2.756 3.637 1.00 0.00 H new ATOM 0 HE ARG A 59 8.943 -3.650 5.060 1.00 0.00 H new ATOM 0 HH11 ARG A 59 7.774 -1.385 2.616 1.00 0.00 H new ATOM 0 HH12 ARG A 59 9.058 -0.211 2.923 1.00 0.00 H new ATOM 0 HH21 ARG A 59 10.589 -2.136 5.449 1.00 0.00 H new ATOM 0 HH22 ARG A 59 10.645 -0.635 4.520 1.00 0.00 H new ATOM 870 N GLY A 60 6.182 -7.743 6.654 1.00 0.00 N ATOM 871 CA GLY A 60 6.977 -8.694 7.409 1.00 0.00 C ATOM 872 C GLY A 60 6.545 -8.789 8.858 1.00 0.00 C ATOM 873 O GLY A 60 5.530 -9.409 9.171 1.00 0.00 O ATOM 0 H GLY A 60 5.741 -8.123 5.816 1.00 0.00 H new ATOM 0 HA2 GLY A 60 6.899 -9.677 6.945 1.00 0.00 H new ATOM 0 HA3 GLY A 60 8.026 -8.402 7.364 1.00 0.00 H new ATOM 877 N ASN A 61 7.318 -8.173 9.747 1.00 0.00 N ATOM 878 CA ASN A 61 7.010 -8.192 11.172 1.00 0.00 C ATOM 879 C ASN A 61 6.849 -6.775 11.714 1.00 0.00 C ATOM 880 O ASN A 61 7.293 -6.470 12.820 1.00 0.00 O ATOM 881 CB ASN A 61 8.112 -8.923 11.943 1.00 0.00 C ATOM 882 CG ASN A 61 8.141 -10.409 11.640 1.00 0.00 C ATOM 883 OD1 ASN A 61 7.132 -10.994 11.248 1.00 0.00 O ATOM 884 ND2 ASN A 61 9.303 -11.026 11.822 1.00 0.00 N ATOM 0 H ASN A 61 8.162 -7.654 9.505 1.00 0.00 H new ATOM 0 HA ASN A 61 6.067 -8.722 11.307 1.00 0.00 H new ATOM 0 HB2 ASN A 61 9.078 -8.485 11.693 1.00 0.00 H new ATOM 0 HB3 ASN A 61 7.962 -8.776 13.013 1.00 0.00 H new ATOM 0 HD21 ASN A 61 9.385 -12.025 11.635 1.00 0.00 H new ATOM 0 HD22 ASN A 61 10.114 -10.500 12.149 1.00 0.00 H new ATOM 891 N GLN A 62 6.211 -5.916 10.926 1.00 0.00 N ATOM 892 CA GLN A 62 5.992 -4.531 11.327 1.00 0.00 C ATOM 893 C GLN A 62 4.578 -4.080 10.977 1.00 0.00 C ATOM 894 O GLN A 62 3.870 -4.749 10.223 1.00 0.00 O ATOM 895 CB GLN A 62 7.014 -3.614 10.652 1.00 0.00 C ATOM 896 CG GLN A 62 8.350 -3.557 11.373 1.00 0.00 C ATOM 897 CD GLN A 62 9.081 -2.249 11.145 1.00 0.00 C ATOM 898 OE1 GLN A 62 9.951 -2.153 10.278 1.00 0.00 O ATOM 899 NE2 GLN A 62 8.732 -1.231 11.923 1.00 0.00 N ATOM 0 H GLN A 62 5.837 -6.154 10.007 1.00 0.00 H new ATOM 0 HA GLN A 62 6.117 -4.469 12.408 1.00 0.00 H new ATOM 0 HB2 GLN A 62 7.177 -3.956 9.630 1.00 0.00 H new ATOM 0 HB3 GLN A 62 6.601 -2.607 10.590 1.00 0.00 H new ATOM 0 HG2 GLN A 62 8.188 -3.697 12.442 1.00 0.00 H new ATOM 0 HG3 GLN A 62 8.976 -4.383 11.035 1.00 0.00 H new ATOM 0 HE21 GLN A 62 8.006 -1.354 12.629 1.00 0.00 H new ATOM 0 HE22 GLN A 62 9.190 -0.326 11.815 1.00 0.00 H new ATOM 908 N LYS A 63 4.171 -2.943 11.531 1.00 0.00 N ATOM 909 CA LYS A 63 2.841 -2.401 11.277 1.00 0.00 C ATOM 910 C LYS A 63 2.832 -0.884 11.436 1.00 0.00 C ATOM 911 O LYS A 63 3.542 -0.334 12.276 1.00 0.00 O ATOM 912 CB LYS A 63 1.821 -3.030 12.230 1.00 0.00 C ATOM 913 CG LYS A 63 1.272 -4.359 11.741 1.00 0.00 C ATOM 914 CD LYS A 63 -0.132 -4.609 12.267 1.00 0.00 C ATOM 915 CE LYS A 63 -0.129 -4.864 13.766 1.00 0.00 C ATOM 916 NZ LYS A 63 -1.260 -5.738 14.183 1.00 0.00 N ATOM 0 H LYS A 63 4.743 -2.379 12.159 1.00 0.00 H new ATOM 0 HA LYS A 63 2.568 -2.643 10.250 1.00 0.00 H new ATOM 0 HB2 LYS A 63 2.288 -3.175 13.204 1.00 0.00 H new ATOM 0 HB3 LYS A 63 0.994 -2.335 12.374 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.261 -4.370 10.651 1.00 0.00 H new ATOM 0 HG3 LYS A 63 1.931 -5.166 12.061 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -0.763 -3.749 12.045 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -0.567 -5.465 11.752 1.00 0.00 H new ATOM 0 HE2 LYS A 63 0.814 -5.329 14.053 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -0.190 -3.914 14.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -1.222 -5.888 15.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -2.161 -5.283 13.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -1.188 -6.655 13.697 1.00 0.00 H new ATOM 930 N GLY A 64 2.021 -0.213 10.623 1.00 0.00 N ATOM 931 CA GLY A 64 1.934 1.234 10.691 1.00 0.00 C ATOM 932 C GLY A 64 0.880 1.795 9.758 1.00 0.00 C ATOM 933 O GLY A 64 0.085 1.050 9.186 1.00 0.00 O ATOM 0 H GLY A 64 1.423 -0.646 9.919 1.00 0.00 H new ATOM 0 HA2 GLY A 64 1.706 1.534 11.714 1.00 0.00 H new ATOM 0 HA3 GLY A 64 2.903 1.665 10.441 1.00 0.00 H new ATOM 937 N LYS A 65 0.871 3.115 9.603 1.00 0.00 N ATOM 938 CA LYS A 65 -0.093 3.778 8.734 1.00 0.00 C ATOM 939 C LYS A 65 0.488 3.990 7.339 1.00 0.00 C ATOM 940 O LYS A 65 1.665 4.315 7.189 1.00 0.00 O ATOM 941 CB LYS A 65 -0.512 5.122 9.333 1.00 0.00 C ATOM 942 CG LYS A 65 -1.203 4.999 10.680 1.00 0.00 C ATOM 943 CD LYS A 65 -2.133 6.172 10.939 1.00 0.00 C ATOM 944 CE LYS A 65 -1.401 7.500 10.822 1.00 0.00 C ATOM 945 NZ LYS A 65 -2.082 8.579 11.590 1.00 0.00 N ATOM 0 H LYS A 65 1.522 3.747 10.069 1.00 0.00 H new ATOM 0 HA LYS A 65 -0.970 3.136 8.650 1.00 0.00 H new ATOM 0 HB2 LYS A 65 0.371 5.752 9.443 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -1.180 5.628 8.636 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -1.770 4.069 10.715 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -0.454 4.946 11.470 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -2.959 6.147 10.228 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -2.567 6.081 11.935 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -0.380 7.385 11.185 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -1.335 7.787 9.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -1.552 9.468 11.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -3.048 8.707 11.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -2.122 8.317 12.596 1.00 0.00 H new ATOM 959 N VAL A 66 -0.347 3.806 6.321 1.00 0.00 N ATOM 960 CA VAL A 66 0.083 3.979 4.939 1.00 0.00 C ATOM 961 C VAL A 66 -0.860 4.908 4.182 1.00 0.00 C ATOM 962 O VAL A 66 -2.083 4.790 4.262 1.00 0.00 O ATOM 963 CB VAL A 66 0.159 2.630 4.201 1.00 0.00 C ATOM 964 CG1 VAL A 66 1.329 1.805 4.714 1.00 0.00 C ATOM 965 CG2 VAL A 66 -1.149 1.867 4.351 1.00 0.00 C ATOM 0 H VAL A 66 -1.325 3.537 6.428 1.00 0.00 H new ATOM 0 HA VAL A 66 1.078 4.423 4.971 1.00 0.00 H new ATOM 0 HB VAL A 66 0.321 2.824 3.141 1.00 0.00 H new ATOM 0 HG11 VAL A 66 1.366 0.855 4.180 1.00 0.00 H new ATOM 0 HG12 VAL A 66 2.258 2.350 4.550 1.00 0.00 H new ATOM 0 HG13 VAL A 66 1.202 1.617 5.780 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -1.078 0.916 3.823 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -1.343 1.682 5.407 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -1.964 2.456 3.930 1.00 0.00 H new ATOM 975 N PRO A 67 -0.281 5.854 3.429 1.00 0.00 N ATOM 976 CA PRO A 67 -1.052 6.821 2.642 1.00 0.00 C ATOM 977 C PRO A 67 -1.759 6.172 1.457 1.00 0.00 C ATOM 978 O PRO A 67 -1.113 5.637 0.555 1.00 0.00 O ATOM 979 CB PRO A 67 0.011 7.809 2.155 1.00 0.00 C ATOM 980 CG PRO A 67 1.280 7.029 2.148 1.00 0.00 C ATOM 981 CD PRO A 67 1.171 6.053 3.287 1.00 0.00 C ATOM 0 HA PRO A 67 -1.846 7.283 3.228 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -0.226 8.187 1.161 1.00 0.00 H new ATOM 0 HB3 PRO A 67 0.081 8.673 2.816 1.00 0.00 H new ATOM 0 HG2 PRO A 67 1.413 6.509 1.199 1.00 0.00 H new ATOM 0 HG3 PRO A 67 2.142 7.684 2.276 1.00 0.00 H new ATOM 0 HD2 PRO A 67 1.685 5.118 3.065 1.00 0.00 H new ATOM 0 HD3 PRO A 67 1.613 6.451 4.200 1.00 0.00 H new ATOM 989 N ILE A 68 -3.086 6.223 1.465 1.00 0.00 N ATOM 990 CA ILE A 68 -3.880 5.642 0.390 1.00 0.00 C ATOM 991 C ILE A 68 -3.511 6.253 -0.958 1.00 0.00 C ATOM 992 O ILE A 68 -3.555 5.582 -1.990 1.00 0.00 O ATOM 993 CB ILE A 68 -5.388 5.837 0.634 1.00 0.00 C ATOM 994 CG1 ILE A 68 -5.897 4.819 1.657 1.00 0.00 C ATOM 995 CG2 ILE A 68 -6.156 5.711 -0.673 1.00 0.00 C ATOM 996 CD1 ILE A 68 -5.729 5.270 3.092 1.00 0.00 C ATOM 0 H ILE A 68 -3.635 6.661 2.205 1.00 0.00 H new ATOM 0 HA ILE A 68 -3.658 4.575 0.376 1.00 0.00 H new ATOM 0 HB ILE A 68 -5.550 6.838 1.034 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -6.952 4.622 1.468 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -5.366 3.877 1.516 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -7.220 5.851 -0.485 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -5.809 6.470 -1.374 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -5.990 4.721 -1.099 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -6.111 4.500 3.762 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -4.672 5.440 3.299 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -6.283 6.196 3.250 1.00 0.00 H new ATOM 1008 N THR A 69 -3.144 7.530 -0.942 1.00 0.00 N ATOM 1009 CA THR A 69 -2.767 8.233 -2.162 1.00 0.00 C ATOM 1010 C THR A 69 -1.610 7.531 -2.864 1.00 0.00 C ATOM 1011 O THR A 69 -1.428 7.673 -4.074 1.00 0.00 O ATOM 1012 CB THR A 69 -2.366 9.691 -1.869 1.00 0.00 C ATOM 1013 OG1 THR A 69 -1.630 9.761 -0.643 1.00 0.00 O ATOM 1014 CG2 THR A 69 -3.596 10.582 -1.780 1.00 0.00 C ATOM 0 H THR A 69 -3.100 8.099 -0.097 1.00 0.00 H new ATOM 0 HA THR A 69 -3.641 8.229 -2.813 1.00 0.00 H new ATOM 0 HB THR A 69 -1.739 10.044 -2.688 1.00 0.00 H new ATOM 0 HG1 THR A 69 -1.378 10.691 -0.466 1.00 0.00 H new ATOM 0 HG21 THR A 69 -3.289 11.607 -1.572 1.00 0.00 H new ATOM 0 HG22 THR A 69 -4.138 10.550 -2.725 1.00 0.00 H new ATOM 0 HG23 THR A 69 -4.244 10.228 -0.978 1.00 0.00 H new ATOM 1022 N TYR A 70 -0.831 6.774 -2.099 1.00 0.00 N ATOM 1023 CA TYR A 70 0.310 6.051 -2.649 1.00 0.00 C ATOM 1024 C TYR A 70 -0.058 4.602 -2.953 1.00 0.00 C ATOM 1025 O TYR A 70 0.673 3.896 -3.647 1.00 0.00 O ATOM 1026 CB TYR A 70 1.487 6.096 -1.673 1.00 0.00 C ATOM 1027 CG TYR A 70 2.200 7.429 -1.646 1.00 0.00 C ATOM 1028 CD1 TYR A 70 1.534 8.589 -1.268 1.00 0.00 C ATOM 1029 CD2 TYR A 70 3.541 7.529 -1.997 1.00 0.00 C ATOM 1030 CE1 TYR A 70 2.181 9.809 -1.243 1.00 0.00 C ATOM 1031 CE2 TYR A 70 4.197 8.745 -1.973 1.00 0.00 C ATOM 1032 CZ TYR A 70 3.513 9.881 -1.596 1.00 0.00 C ATOM 1033 OH TYR A 70 4.162 11.094 -1.570 1.00 0.00 O ATOM 0 H TYR A 70 -0.969 6.645 -1.097 1.00 0.00 H new ATOM 0 HA TYR A 70 0.600 6.536 -3.581 1.00 0.00 H new ATOM 0 HB2 TYR A 70 1.126 5.866 -0.671 1.00 0.00 H new ATOM 0 HB3 TYR A 70 2.201 5.317 -1.941 1.00 0.00 H new ATOM 0 HD1 TYR A 70 0.492 8.535 -0.989 1.00 0.00 H new ATOM 0 HD2 TYR A 70 4.080 6.641 -2.294 1.00 0.00 H new ATOM 0 HE1 TYR A 70 1.648 10.701 -0.949 1.00 0.00 H new ATOM 0 HE2 TYR A 70 5.240 8.805 -2.248 1.00 0.00 H new ATOM 0 HH TYR A 70 5.095 10.972 -1.845 1.00 0.00 H new ATOM 1043 N LEU A 71 -1.198 4.166 -2.428 1.00 0.00 N ATOM 1044 CA LEU A 71 -1.666 2.801 -2.643 1.00 0.00 C ATOM 1045 C LEU A 71 -2.849 2.776 -3.605 1.00 0.00 C ATOM 1046 O LEU A 71 -3.675 3.688 -3.612 1.00 0.00 O ATOM 1047 CB LEU A 71 -2.064 2.162 -1.311 1.00 0.00 C ATOM 1048 CG LEU A 71 -1.139 2.447 -0.127 1.00 0.00 C ATOM 1049 CD1 LEU A 71 -1.922 2.431 1.177 1.00 0.00 C ATOM 1050 CD2 LEU A 71 -0.003 1.436 -0.082 1.00 0.00 C ATOM 0 H LEU A 71 -1.815 4.737 -1.851 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.850 2.229 -3.085 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -3.067 2.502 -1.053 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.120 1.082 -1.451 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.709 3.440 -0.257 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -1.248 2.636 2.009 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -2.700 3.194 1.144 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.380 1.452 1.314 1.00 0.00 H new ATOM 0 HD21 LEU A 71 0.645 1.654 0.767 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -0.414 0.432 0.024 1.00 0.00 H new ATOM 0 HD23 LEU A 71 0.575 1.496 -1.004 1.00 0.00 H new ATOM 1062 N GLU A 72 -2.925 1.724 -4.415 1.00 0.00 N ATOM 1063 CA GLU A 72 -4.008 1.580 -5.380 1.00 0.00 C ATOM 1064 C GLU A 72 -4.759 0.270 -5.164 1.00 0.00 C ATOM 1065 O GLU A 72 -4.511 -0.722 -5.850 1.00 0.00 O ATOM 1066 CB GLU A 72 -3.459 1.636 -6.808 1.00 0.00 C ATOM 1067 CG GLU A 72 -4.465 1.211 -7.864 1.00 0.00 C ATOM 1068 CD GLU A 72 -4.127 1.747 -9.241 1.00 0.00 C ATOM 1069 OE1 GLU A 72 -3.847 2.959 -9.353 1.00 0.00 O ATOM 1070 OE2 GLU A 72 -4.144 0.956 -10.207 1.00 0.00 O ATOM 0 H GLU A 72 -2.250 0.960 -4.422 1.00 0.00 H new ATOM 0 HA GLU A 72 -4.704 2.406 -5.233 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -3.128 2.652 -7.022 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -2.581 0.994 -6.876 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -4.508 0.123 -7.902 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -5.457 1.559 -7.576 1.00 0.00 H new ATOM 1077 N LEU A 73 -5.678 0.274 -4.204 1.00 0.00 N ATOM 1078 CA LEU A 73 -6.467 -0.914 -3.895 1.00 0.00 C ATOM 1079 C LEU A 73 -6.916 -1.617 -5.173 1.00 0.00 C ATOM 1080 O LEU A 73 -7.719 -1.082 -5.939 1.00 0.00 O ATOM 1081 CB LEU A 73 -7.686 -0.536 -3.052 1.00 0.00 C ATOM 1082 CG LEU A 73 -7.406 0.309 -1.809 1.00 0.00 C ATOM 1083 CD1 LEU A 73 -8.674 0.486 -0.988 1.00 0.00 C ATOM 1084 CD2 LEU A 73 -6.308 -0.326 -0.969 1.00 0.00 C ATOM 0 H LEU A 73 -5.895 1.086 -3.626 1.00 0.00 H new ATOM 0 HA LEU A 73 -5.839 -1.600 -3.327 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -8.387 0.007 -3.686 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -8.185 -1.453 -2.739 1.00 0.00 H new ATOM 0 HG LEU A 73 -7.066 1.293 -2.131 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -8.456 1.090 -0.107 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -9.432 0.985 -1.592 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -9.045 -0.490 -0.676 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -6.122 0.289 -0.088 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -6.619 -1.323 -0.656 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -5.395 -0.400 -1.560 1.00 0.00 H new ATOM 1096 N LEU A 74 -6.395 -2.818 -5.395 1.00 0.00 N ATOM 1097 CA LEU A 74 -6.744 -3.596 -6.578 1.00 0.00 C ATOM 1098 C LEU A 74 -8.125 -4.227 -6.428 1.00 0.00 C ATOM 1099 O LEU A 74 -8.251 -5.370 -5.992 1.00 0.00 O ATOM 1100 CB LEU A 74 -5.697 -4.685 -6.824 1.00 0.00 C ATOM 1101 CG LEU A 74 -4.241 -4.279 -6.597 1.00 0.00 C ATOM 1102 CD1 LEU A 74 -3.377 -5.506 -6.352 1.00 0.00 C ATOM 1103 CD2 LEU A 74 -3.717 -3.484 -7.784 1.00 0.00 C ATOM 0 H LEU A 74 -5.729 -3.274 -4.771 1.00 0.00 H new ATOM 0 HA LEU A 74 -6.765 -2.920 -7.433 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -5.923 -5.531 -6.175 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -5.800 -5.035 -7.851 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.195 -3.645 -5.712 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -2.344 -5.198 -6.192 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -3.738 -6.035 -5.470 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -3.429 -6.166 -7.218 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -2.679 -3.204 -7.604 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -3.777 -4.094 -8.685 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -4.319 -2.584 -7.913 1.00 0.00 H new