USER MOD reduce.3.24.130724 H: found=0, std=0, add=446, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 447 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 59 ASN : amide:sc= -1.96! C(o=-4!,f=-9.3!) USER MOD Set 1.2: A 62 MET CE :methyl -136:sc= -2.04! (180deg=-1.94!) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.196 USER MOD Single : A 18 LYS NZ :NH3+ 166:sc= -0.0691 (180deg=-0.421) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 GLN :FLIP amide:sc= -2.22 F(o=-8.6!,f=-2.2) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN :FLIP amide:sc= -1.64 F(o=-3.8!,f=-1.6) USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot -121:sc= -0.105 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -0.885 K(o=-0.88,f=-5!) USER MOD Single : A 54 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.0936) USER MOD Single : A 58 GLN : amide:sc= -0.0996 K(o=-0.1,f=-2.6!) USER MOD Single : A 63 LYS NZ :NH3+ -165:sc= -0.013 (180deg=-0.183) USER MOD ----------------------------------------------------------------- ATOM 264 N TYR A 16 -2.288 8.430 1.923 1.00 0.00 N ATOM 265 CA TYR A 16 -2.478 6.995 2.015 1.00 0.00 C ATOM 266 C TYR A 16 -3.473 6.500 0.976 1.00 0.00 C ATOM 267 O TYR A 16 -4.368 7.235 0.557 1.00 0.00 O ATOM 268 CB TYR A 16 -2.957 6.619 3.415 1.00 0.00 C ATOM 269 CG TYR A 16 -4.071 7.495 3.949 1.00 0.00 C ATOM 270 CD1 TYR A 16 -5.357 7.413 3.430 1.00 0.00 C ATOM 271 CD2 TYR A 16 -3.835 8.402 4.976 1.00 0.00 C ATOM 272 CE1 TYR A 16 -6.377 8.209 3.918 1.00 0.00 C ATOM 273 CE2 TYR A 16 -4.850 9.199 5.470 1.00 0.00 C ATOM 274 CZ TYR A 16 -6.117 9.099 4.939 1.00 0.00 C ATOM 275 OH TYR A 16 -7.131 9.891 5.429 1.00 0.00 O ATOM 0 HA TYR A 16 -1.519 6.516 1.819 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -3.298 5.584 3.404 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -2.111 6.668 4.101 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -5.564 6.716 2.632 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -2.843 8.485 5.394 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -7.371 8.134 3.502 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -4.651 9.898 6.269 1.00 0.00 H new ATOM 0 HH TYR A 16 -6.783 10.461 6.146 1.00 0.00 H new ATOM 285 N THR A 17 -3.309 5.250 0.560 1.00 0.00 N ATOM 286 CA THR A 17 -4.205 4.654 -0.426 1.00 0.00 C ATOM 287 C THR A 17 -5.242 3.763 0.252 1.00 0.00 C ATOM 288 O THR A 17 -5.074 3.366 1.405 1.00 0.00 O ATOM 289 CB THR A 17 -3.436 3.840 -1.487 1.00 0.00 C ATOM 290 OG1 THR A 17 -4.352 3.290 -2.441 1.00 0.00 O ATOM 291 CG2 THR A 17 -2.638 2.719 -0.845 1.00 0.00 C ATOM 0 H THR A 17 -2.568 4.631 0.888 1.00 0.00 H new ATOM 0 HA THR A 17 -4.711 5.476 -0.931 1.00 0.00 H new ATOM 0 HB THR A 17 -2.742 4.513 -1.990 1.00 0.00 H new ATOM 0 HG1 THR A 17 -3.856 2.776 -3.112 1.00 0.00 H new ATOM 0 HG21 THR A 17 -2.106 2.162 -1.617 1.00 0.00 H new ATOM 0 HG22 THR A 17 -1.920 3.140 -0.142 1.00 0.00 H new ATOM 0 HG23 THR A 17 -3.314 2.048 -0.315 1.00 0.00 H new ATOM 299 N LYS A 18 -6.314 3.455 -0.469 1.00 0.00 N ATOM 300 CA LYS A 18 -7.390 2.624 0.066 1.00 0.00 C ATOM 301 C LYS A 18 -6.888 1.241 0.478 1.00 0.00 C ATOM 302 O LYS A 18 -7.393 0.649 1.432 1.00 0.00 O ATOM 303 CB LYS A 18 -8.513 2.478 -0.966 1.00 0.00 C ATOM 304 CG LYS A 18 -9.365 3.730 -1.134 1.00 0.00 C ATOM 305 CD LYS A 18 -8.601 4.856 -1.816 1.00 0.00 C ATOM 306 CE LYS A 18 -8.212 4.491 -3.242 1.00 0.00 C ATOM 307 NZ LYS A 18 -9.394 4.094 -4.056 1.00 0.00 N ATOM 0 H LYS A 18 -6.463 3.768 -1.428 1.00 0.00 H new ATOM 0 HA LYS A 18 -7.774 3.123 0.956 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -8.076 2.216 -1.930 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -9.157 1.649 -0.673 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -10.252 3.488 -1.719 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -9.710 4.067 -0.156 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -9.214 5.758 -1.826 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -7.704 5.087 -1.242 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -7.717 5.341 -3.712 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -7.492 3.673 -3.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -9.134 4.083 -5.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -9.710 3.145 -3.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -10.165 4.776 -3.904 1.00 0.00 H new ATOM 321 N TYR A 19 -5.896 0.730 -0.242 1.00 0.00 N ATOM 322 CA TYR A 19 -5.341 -0.589 0.045 1.00 0.00 C ATOM 323 C TYR A 19 -4.481 -0.579 1.308 1.00 0.00 C ATOM 324 O TYR A 19 -4.669 -1.401 2.205 1.00 0.00 O ATOM 325 CB TYR A 19 -4.512 -1.073 -1.144 1.00 0.00 C ATOM 326 CG TYR A 19 -4.455 -2.577 -1.268 1.00 0.00 C ATOM 327 CD1 TYR A 19 -5.482 -3.277 -1.884 1.00 0.00 C ATOM 328 CD2 TYR A 19 -3.375 -3.294 -0.770 1.00 0.00 C ATOM 329 CE1 TYR A 19 -5.437 -4.654 -2.002 1.00 0.00 C ATOM 330 CE2 TYR A 19 -3.321 -4.671 -0.885 1.00 0.00 C ATOM 331 CZ TYR A 19 -4.355 -5.346 -1.501 1.00 0.00 C ATOM 332 OH TYR A 19 -4.305 -6.716 -1.618 1.00 0.00 O ATOM 0 H TYR A 19 -5.459 1.209 -1.029 1.00 0.00 H new ATOM 0 HA TYR A 19 -6.174 -1.271 0.215 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -4.929 -0.657 -2.061 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -3.497 -0.686 -1.051 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -6.331 -2.738 -2.278 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -2.565 -2.768 -0.286 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -6.245 -5.184 -2.484 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -2.474 -5.215 -0.495 1.00 0.00 H new ATOM 0 HH TYR A 19 -3.476 -7.049 -1.215 1.00 0.00 H new ATOM 342 N GLN A 20 -3.536 0.354 1.369 1.00 0.00 N ATOM 343 CA GLN A 20 -2.635 0.461 2.513 1.00 0.00 C ATOM 344 C GLN A 20 -3.405 0.662 3.817 1.00 0.00 C ATOM 345 O GLN A 20 -3.015 0.139 4.861 1.00 0.00 O ATOM 346 CB GLN A 20 -1.636 1.605 2.301 1.00 0.00 C ATOM 347 CG GLN A 20 -2.209 2.989 2.529 1.00 0.00 C ATOM 348 CD GLN A 20 -1.123 4.046 2.597 1.00 0.00 C ATOM 349 OE1 GLN A 20 -0.688 4.529 1.439 1.00 0.00 O flip ATOM 350 NE2 GLN A 20 -0.667 4.412 3.680 1.00 0.00 N flip ATOM 0 H GLN A 20 -3.374 1.048 0.639 1.00 0.00 H new ATOM 0 HA GLN A 20 -2.087 -0.478 2.593 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -0.790 1.461 2.973 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -1.249 1.549 1.284 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -2.902 3.232 1.724 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -2.782 2.997 3.456 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -1.030 4.015 4.547 1.00 0.00 H new ATOM 0 HE22 GLN A 20 0.074 5.112 3.711 1.00 0.00 H new ATOM 359 N THR A 21 -4.497 1.417 3.753 1.00 0.00 N ATOM 360 CA THR A 21 -5.309 1.678 4.935 1.00 0.00 C ATOM 361 C THR A 21 -6.234 0.502 5.233 1.00 0.00 C ATOM 362 O THR A 21 -6.660 0.312 6.370 1.00 0.00 O ATOM 363 CB THR A 21 -6.152 2.956 4.773 1.00 0.00 C ATOM 364 OG1 THR A 21 -6.832 3.255 5.998 1.00 0.00 O ATOM 365 CG2 THR A 21 -7.168 2.799 3.652 1.00 0.00 C ATOM 0 H THR A 21 -4.839 1.857 2.899 1.00 0.00 H new ATOM 0 HA THR A 21 -4.619 1.816 5.768 1.00 0.00 H new ATOM 0 HB THR A 21 -5.479 3.775 4.520 1.00 0.00 H new ATOM 0 HG1 THR A 21 -7.364 4.070 5.886 1.00 0.00 H new ATOM 0 HG21 THR A 21 -7.751 3.715 3.558 1.00 0.00 H new ATOM 0 HG22 THR A 21 -6.648 2.602 2.715 1.00 0.00 H new ATOM 0 HG23 THR A 21 -7.835 1.967 3.879 1.00 0.00 H new ATOM 373 N LEU A 22 -6.536 -0.281 4.202 1.00 0.00 N ATOM 374 CA LEU A 22 -7.409 -1.443 4.345 1.00 0.00 C ATOM 375 C LEU A 22 -6.808 -2.464 5.309 1.00 0.00 C ATOM 376 O LEU A 22 -7.524 -3.095 6.085 1.00 0.00 O ATOM 377 CB LEU A 22 -7.659 -2.075 2.965 1.00 0.00 C ATOM 378 CG LEU A 22 -7.580 -3.604 2.900 1.00 0.00 C ATOM 379 CD1 LEU A 22 -8.798 -4.239 3.556 1.00 0.00 C ATOM 380 CD2 LEU A 22 -7.452 -4.065 1.456 1.00 0.00 C ATOM 0 H LEU A 22 -6.188 -0.132 3.255 1.00 0.00 H new ATOM 0 HA LEU A 22 -8.361 -1.117 4.763 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -8.646 -1.767 2.620 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -6.934 -1.664 2.263 1.00 0.00 H new ATOM 0 HG LEU A 22 -6.694 -3.924 3.449 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -8.719 -5.325 3.497 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -8.848 -3.935 4.602 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -9.701 -3.913 3.040 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -7.397 -5.153 1.425 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -8.320 -3.729 0.889 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -6.547 -3.643 1.018 1.00 0.00 H new ATOM 392 N GLU A 23 -5.491 -2.619 5.255 1.00 0.00 N ATOM 393 CA GLU A 23 -4.796 -3.567 6.120 1.00 0.00 C ATOM 394 C GLU A 23 -4.529 -2.968 7.500 1.00 0.00 C ATOM 395 O GLU A 23 -4.779 -3.606 8.526 1.00 0.00 O ATOM 396 CB GLU A 23 -3.481 -3.998 5.469 1.00 0.00 C ATOM 397 CG GLU A 23 -3.667 -4.962 4.310 1.00 0.00 C ATOM 398 CD GLU A 23 -4.313 -6.267 4.734 1.00 0.00 C ATOM 399 OE1 GLU A 23 -3.577 -7.185 5.153 1.00 0.00 O ATOM 400 OE2 GLU A 23 -5.555 -6.370 4.648 1.00 0.00 O ATOM 0 H GLU A 23 -4.882 -2.101 4.622 1.00 0.00 H new ATOM 0 HA GLU A 23 -5.437 -4.439 6.252 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.953 -3.113 5.114 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.848 -4.466 6.223 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -4.281 -4.489 3.544 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.698 -5.171 3.857 1.00 0.00 H new ATOM 407 N LEU A 24 -4.028 -1.738 7.517 1.00 0.00 N ATOM 408 CA LEU A 24 -3.719 -1.055 8.769 1.00 0.00 C ATOM 409 C LEU A 24 -4.967 -0.877 9.631 1.00 0.00 C ATOM 410 O LEU A 24 -4.877 -0.848 10.859 1.00 0.00 O ATOM 411 CB LEU A 24 -3.077 0.306 8.488 1.00 0.00 C ATOM 412 CG LEU A 24 -1.725 0.252 7.771 1.00 0.00 C ATOM 413 CD1 LEU A 24 -1.241 1.655 7.443 1.00 0.00 C ATOM 414 CD2 LEU A 24 -0.695 -0.482 8.619 1.00 0.00 C ATOM 0 H LEU A 24 -3.827 -1.193 6.679 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.014 -1.677 9.321 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -3.766 0.898 7.886 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -2.948 0.832 9.434 1.00 0.00 H new ATOM 0 HG LEU A 24 -1.854 -0.297 6.838 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -0.279 1.598 6.934 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -1.966 2.148 6.795 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -1.131 2.227 8.365 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.258 -0.509 8.091 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.569 0.037 9.569 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -1.036 -1.501 8.805 1.00 0.00 H new ATOM 426 N GLU A 25 -6.128 -0.759 8.991 1.00 0.00 N ATOM 427 CA GLU A 25 -7.381 -0.586 9.722 1.00 0.00 C ATOM 428 C GLU A 25 -7.831 -1.906 10.341 1.00 0.00 C ATOM 429 O GLU A 25 -8.426 -1.923 11.418 1.00 0.00 O ATOM 430 CB GLU A 25 -8.477 -0.032 8.807 1.00 0.00 C ATOM 431 CG GLU A 25 -8.942 -1.009 7.740 1.00 0.00 C ATOM 432 CD GLU A 25 -10.036 -0.436 6.861 1.00 0.00 C ATOM 433 OE1 GLU A 25 -9.707 0.318 5.920 1.00 0.00 O ATOM 434 OE2 GLU A 25 -11.222 -0.740 7.113 1.00 0.00 O ATOM 0 H GLU A 25 -6.227 -0.780 7.976 1.00 0.00 H new ATOM 0 HA GLU A 25 -7.204 0.133 10.522 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -9.332 0.259 9.417 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -8.109 0.872 8.322 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -8.093 -1.293 7.118 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -9.305 -1.918 8.219 1.00 0.00 H new ATOM 441 N LYS A 26 -7.541 -3.008 9.654 1.00 0.00 N ATOM 442 CA LYS A 26 -7.908 -4.332 10.142 1.00 0.00 C ATOM 443 C LYS A 26 -7.304 -4.580 11.518 1.00 0.00 C ATOM 444 O LYS A 26 -7.949 -5.149 12.399 1.00 0.00 O ATOM 445 CB LYS A 26 -7.443 -5.413 9.161 1.00 0.00 C ATOM 446 CG LYS A 26 -8.312 -5.527 7.918 1.00 0.00 C ATOM 447 CD LYS A 26 -9.676 -6.113 8.246 1.00 0.00 C ATOM 448 CE LYS A 26 -10.519 -6.297 6.994 1.00 0.00 C ATOM 449 NZ LYS A 26 -11.845 -6.900 7.302 1.00 0.00 N ATOM 0 H LYS A 26 -7.053 -3.009 8.758 1.00 0.00 H new ATOM 0 HA LYS A 26 -8.994 -4.377 10.224 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -6.418 -5.199 8.858 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -7.430 -6.375 9.674 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -8.436 -4.542 7.468 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -7.813 -6.154 7.180 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -9.550 -7.074 8.745 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -10.197 -5.457 8.943 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -10.663 -5.332 6.508 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -9.986 -6.933 6.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -12.389 -7.009 6.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -11.709 -7.832 7.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -12.365 -6.281 7.956 1.00 0.00 H new ATOM 463 N GLU A 27 -6.059 -4.149 11.692 1.00 0.00 N ATOM 464 CA GLU A 27 -5.364 -4.314 12.964 1.00 0.00 C ATOM 465 C GLU A 27 -5.675 -3.150 13.900 1.00 0.00 C ATOM 466 O GLU A 27 -5.693 -3.308 15.119 1.00 0.00 O ATOM 467 CB GLU A 27 -3.855 -4.406 12.732 1.00 0.00 C ATOM 468 CG GLU A 27 -3.465 -5.419 11.669 1.00 0.00 C ATOM 469 CD GLU A 27 -1.987 -5.376 11.337 1.00 0.00 C ATOM 470 OE1 GLU A 27 -1.197 -6.020 12.058 1.00 0.00 O ATOM 471 OE2 GLU A 27 -1.618 -4.696 10.355 1.00 0.00 O ATOM 0 H GLU A 27 -5.511 -3.683 10.969 1.00 0.00 H new ATOM 0 HA GLU A 27 -5.711 -5.237 13.428 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -3.480 -3.425 12.442 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -3.367 -4.670 13.670 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -3.727 -6.420 12.012 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -4.043 -5.231 10.764 1.00 0.00 H new ATOM 478 N PHE A 28 -5.926 -1.985 13.311 1.00 0.00 N ATOM 479 CA PHE A 28 -6.244 -0.777 14.070 1.00 0.00 C ATOM 480 C PHE A 28 -7.364 -1.032 15.076 1.00 0.00 C ATOM 481 O PHE A 28 -7.505 -0.307 16.061 1.00 0.00 O ATOM 482 CB PHE A 28 -6.647 0.351 13.116 1.00 0.00 C ATOM 483 CG PHE A 28 -6.925 1.661 13.802 1.00 0.00 C ATOM 484 CD1 PHE A 28 -5.892 2.534 14.104 1.00 0.00 C ATOM 485 CD2 PHE A 28 -8.221 2.019 14.142 1.00 0.00 C ATOM 486 CE1 PHE A 28 -6.145 3.738 14.732 1.00 0.00 C ATOM 487 CE2 PHE A 28 -8.480 3.223 14.769 1.00 0.00 C ATOM 488 CZ PHE A 28 -7.441 4.084 15.065 1.00 0.00 C ATOM 0 H PHE A 28 -5.915 -1.850 12.300 1.00 0.00 H new ATOM 0 HA PHE A 28 -5.352 -0.483 14.623 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -5.852 0.497 12.385 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -7.536 0.046 12.563 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -4.877 2.270 13.845 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -9.037 1.349 13.914 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -5.331 4.409 14.963 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -9.494 3.491 15.027 1.00 0.00 H new ATOM 0 HZ PHE A 28 -7.641 5.025 15.555 1.00 0.00 H new ATOM 498 N LEU A 29 -8.160 -2.065 14.819 1.00 0.00 N ATOM 499 CA LEU A 29 -9.281 -2.403 15.688 1.00 0.00 C ATOM 500 C LEU A 29 -8.799 -2.831 17.065 1.00 0.00 C ATOM 501 O LEU A 29 -9.158 -2.234 18.080 1.00 0.00 O ATOM 502 CB LEU A 29 -10.121 -3.521 15.063 1.00 0.00 C ATOM 503 CG LEU A 29 -10.375 -3.384 13.559 1.00 0.00 C ATOM 504 CD1 LEU A 29 -11.235 -4.534 13.058 1.00 0.00 C ATOM 505 CD2 LEU A 29 -11.032 -2.048 13.244 1.00 0.00 C ATOM 0 H LEU A 29 -8.049 -2.683 14.015 1.00 0.00 H new ATOM 0 HA LEU A 29 -9.896 -1.510 15.801 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -9.623 -4.473 15.246 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -11.082 -3.561 15.575 1.00 0.00 H new ATOM 0 HG LEU A 29 -9.415 -3.421 13.044 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -11.406 -4.421 11.987 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -10.725 -5.479 13.246 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -12.191 -4.528 13.581 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -11.204 -1.971 12.170 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -11.984 -1.978 13.770 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -10.379 -1.237 13.566 1.00 0.00 H new ATOM 517 N PHE A 30 -7.986 -3.869 17.079 1.00 0.00 N ATOM 518 CA PHE A 30 -7.447 -4.411 18.319 1.00 0.00 C ATOM 519 C PHE A 30 -5.981 -4.030 18.496 1.00 0.00 C ATOM 520 O PHE A 30 -5.604 -3.424 19.498 1.00 0.00 O ATOM 521 CB PHE A 30 -7.604 -5.934 18.321 1.00 0.00 C ATOM 522 CG PHE A 30 -7.626 -6.552 19.690 1.00 0.00 C ATOM 523 CD1 PHE A 30 -8.489 -6.079 20.667 1.00 0.00 C ATOM 524 CD2 PHE A 30 -6.793 -7.615 19.996 1.00 0.00 C ATOM 525 CE1 PHE A 30 -8.519 -6.655 21.922 1.00 0.00 C ATOM 526 CE2 PHE A 30 -6.816 -8.194 21.250 1.00 0.00 C ATOM 527 CZ PHE A 30 -7.681 -7.714 22.215 1.00 0.00 C ATOM 0 H PHE A 30 -7.680 -4.360 16.239 1.00 0.00 H new ATOM 0 HA PHE A 30 -8.003 -3.987 19.155 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -8.528 -6.193 17.804 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -6.785 -6.373 17.750 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -9.145 -5.251 20.444 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -6.117 -7.996 19.245 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -9.197 -6.278 22.674 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -6.159 -9.021 21.476 1.00 0.00 H new ATOM 0 HZ PHE A 30 -7.702 -8.166 23.196 1.00 0.00 H new ATOM 537 N ASN A 31 -5.176 -4.380 17.499 1.00 0.00 N ATOM 538 CA ASN A 31 -3.732 -4.105 17.502 1.00 0.00 C ATOM 539 C ASN A 31 -3.102 -4.278 18.885 1.00 0.00 C ATOM 540 O ASN A 31 -2.097 -3.639 19.198 1.00 0.00 O ATOM 541 CB ASN A 31 -3.452 -2.693 16.983 1.00 0.00 C ATOM 542 CG ASN A 31 -4.201 -1.628 17.759 1.00 0.00 C ATOM 543 OD1 ASN A 31 -5.429 -1.347 17.340 1.00 0.00 O flip ATOM 544 ND2 ASN A 31 -3.685 -1.068 18.725 1.00 0.00 N flip ATOM 0 H ASN A 31 -5.501 -4.864 16.662 1.00 0.00 H new ATOM 0 HA ASN A 31 -3.275 -4.839 16.838 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -2.382 -2.494 17.041 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -3.731 -2.635 15.931 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -2.738 -1.316 19.012 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -4.204 -0.356 19.239 1.00 0.00 H new ATOM 551 N MET A 32 -3.682 -5.148 19.708 1.00 0.00 N ATOM 552 CA MET A 32 -3.164 -5.392 21.043 1.00 0.00 C ATOM 553 C MET A 32 -1.994 -6.367 20.999 1.00 0.00 C ATOM 554 O MET A 32 -1.180 -6.422 21.920 1.00 0.00 O ATOM 555 CB MET A 32 -4.270 -5.950 21.934 1.00 0.00 C ATOM 556 CG MET A 32 -5.388 -4.961 22.220 1.00 0.00 C ATOM 557 SD MET A 32 -4.790 -3.434 22.970 1.00 0.00 S ATOM 558 CE MET A 32 -6.329 -2.548 23.209 1.00 0.00 C ATOM 0 H MET A 32 -4.510 -5.693 19.470 1.00 0.00 H new ATOM 0 HA MET A 32 -2.810 -4.446 21.454 1.00 0.00 H new ATOM 0 HB2 MET A 32 -4.694 -6.835 21.459 1.00 0.00 H new ATOM 0 HB3 MET A 32 -3.833 -6.273 22.879 1.00 0.00 H new ATOM 0 HG2 MET A 32 -5.906 -4.726 21.290 1.00 0.00 H new ATOM 0 HG3 MET A 32 -6.118 -5.425 22.883 1.00 0.00 H new ATOM 0 HE1 MET A 32 -6.124 -1.580 23.666 1.00 0.00 H new ATOM 0 HE2 MET A 32 -6.816 -2.398 22.245 1.00 0.00 H new ATOM 0 HE3 MET A 32 -6.984 -3.126 23.861 1.00 0.00 H new ATOM 568 N TYR A 33 -1.922 -7.134 19.918 1.00 0.00 N ATOM 569 CA TYR A 33 -0.859 -8.115 19.740 1.00 0.00 C ATOM 570 C TYR A 33 -0.854 -8.640 18.307 1.00 0.00 C ATOM 571 O TYR A 33 -1.900 -8.707 17.660 1.00 0.00 O ATOM 572 CB TYR A 33 -1.040 -9.272 20.723 1.00 0.00 C ATOM 573 CG TYR A 33 0.110 -10.253 20.726 1.00 0.00 C ATOM 574 CD1 TYR A 33 1.286 -9.971 21.409 1.00 0.00 C ATOM 575 CD2 TYR A 33 0.019 -11.459 20.044 1.00 0.00 C ATOM 576 CE1 TYR A 33 2.340 -10.863 21.413 1.00 0.00 C ATOM 577 CE2 TYR A 33 1.070 -12.357 20.042 1.00 0.00 C ATOM 578 CZ TYR A 33 2.228 -12.054 20.728 1.00 0.00 C ATOM 579 OH TYR A 33 3.276 -12.946 20.729 1.00 0.00 O ATOM 0 H TYR A 33 -2.590 -7.095 19.148 1.00 0.00 H new ATOM 0 HA TYR A 33 0.097 -7.631 19.937 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -1.163 -8.867 21.728 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -1.959 -9.804 20.479 1.00 0.00 H new ATOM 0 HD1 TYR A 33 1.378 -9.038 21.946 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -0.887 -11.699 19.507 1.00 0.00 H new ATOM 0 HE1 TYR A 33 3.247 -10.629 21.950 1.00 0.00 H new ATOM 0 HE2 TYR A 33 0.985 -13.291 19.506 1.00 0.00 H new ATOM 0 HH TYR A 33 3.034 -13.735 20.201 1.00 0.00 H new ATOM 589 N LEU A 34 0.324 -9.009 17.815 1.00 0.00 N ATOM 590 CA LEU A 34 0.452 -9.521 16.455 1.00 0.00 C ATOM 591 C LEU A 34 1.471 -10.656 16.395 1.00 0.00 C ATOM 592 O LEU A 34 2.445 -10.668 17.147 1.00 0.00 O ATOM 593 CB LEU A 34 0.864 -8.395 15.505 1.00 0.00 C ATOM 594 CG LEU A 34 0.489 -8.612 14.039 1.00 0.00 C ATOM 595 CD1 LEU A 34 -1.023 -8.570 13.864 1.00 0.00 C ATOM 596 CD2 LEU A 34 1.160 -7.568 13.160 1.00 0.00 C ATOM 0 H LEU A 34 1.200 -8.964 18.335 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.517 -9.913 16.145 1.00 0.00 H new ATOM 0 HB2 LEU A 34 0.406 -7.467 15.847 1.00 0.00 H new ATOM 0 HB3 LEU A 34 1.944 -8.262 15.572 1.00 0.00 H new ATOM 0 HG LEU A 34 0.842 -9.597 13.733 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.272 -8.726 12.814 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.481 -9.355 14.466 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.400 -7.599 14.186 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.883 -7.736 12.119 1.00 0.00 H new ATOM 0 HD22 LEU A 34 0.836 -6.573 13.465 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.242 -7.646 13.264 1.00 0.00 H new ATOM 608 N THR A 35 1.237 -11.607 15.493 1.00 0.00 N ATOM 609 CA THR A 35 2.134 -12.747 15.333 1.00 0.00 C ATOM 610 C THR A 35 2.738 -12.785 13.932 1.00 0.00 C ATOM 611 O THR A 35 2.296 -12.065 13.038 1.00 0.00 O ATOM 612 CB THR A 35 1.402 -14.076 15.601 1.00 0.00 C ATOM 613 OG1 THR A 35 2.311 -15.175 15.463 1.00 0.00 O ATOM 614 CG2 THR A 35 0.235 -14.256 14.640 1.00 0.00 C ATOM 0 H THR A 35 0.435 -11.610 14.863 1.00 0.00 H new ATOM 0 HA THR A 35 2.933 -12.625 16.064 1.00 0.00 H new ATOM 0 HB THR A 35 1.015 -14.050 16.619 1.00 0.00 H new ATOM 0 HG1 THR A 35 1.983 -15.786 14.770 1.00 0.00 H new ATOM 0 HG21 THR A 35 -0.266 -15.201 14.849 1.00 0.00 H new ATOM 0 HG22 THR A 35 -0.471 -13.435 14.767 1.00 0.00 H new ATOM 0 HG23 THR A 35 0.605 -14.260 13.615 1.00 0.00 H new ATOM 622 N ARG A 36 3.749 -13.631 13.751 1.00 0.00 N ATOM 623 CA ARG A 36 4.418 -13.767 12.460 1.00 0.00 C ATOM 624 C ARG A 36 3.424 -14.109 11.353 1.00 0.00 C ATOM 625 O ARG A 36 3.620 -13.741 10.195 1.00 0.00 O ATOM 626 CB ARG A 36 5.500 -14.846 12.532 1.00 0.00 C ATOM 627 CG ARG A 36 6.745 -14.413 13.288 1.00 0.00 C ATOM 628 CD ARG A 36 7.762 -15.538 13.366 1.00 0.00 C ATOM 629 NE ARG A 36 9.038 -15.086 13.912 1.00 0.00 N ATOM 630 CZ ARG A 36 10.181 -15.749 13.758 1.00 0.00 C ATOM 631 NH1 ARG A 36 10.204 -16.892 13.085 1.00 0.00 N ATOM 632 NH2 ARG A 36 11.302 -15.269 14.280 1.00 0.00 N ATOM 0 H ARG A 36 4.124 -14.234 14.484 1.00 0.00 H new ATOM 0 HA ARG A 36 4.879 -12.808 12.224 1.00 0.00 H new ATOM 0 HB2 ARG A 36 5.085 -15.733 13.011 1.00 0.00 H new ATOM 0 HB3 ARG A 36 5.782 -15.133 11.519 1.00 0.00 H new ATOM 0 HG2 ARG A 36 7.191 -13.550 12.794 1.00 0.00 H new ATOM 0 HG3 ARG A 36 6.471 -14.097 14.295 1.00 0.00 H new ATOM 0 HD2 ARG A 36 7.366 -16.342 13.987 1.00 0.00 H new ATOM 0 HD3 ARG A 36 7.920 -15.953 12.371 1.00 0.00 H new ATOM 0 HE ARG A 36 9.054 -14.214 14.441 1.00 0.00 H new ATOM 0 HH11 ARG A 36 9.344 -17.265 12.684 1.00 0.00 H new ATOM 0 HH12 ARG A 36 11.082 -17.398 12.969 1.00 0.00 H new ATOM 0 HH21 ARG A 36 11.288 -14.391 14.800 1.00 0.00 H new ATOM 0 HH22 ARG A 36 12.178 -15.778 14.162 1.00 0.00 H new ATOM 646 N ASP A 37 2.359 -14.818 11.716 1.00 0.00 N ATOM 647 CA ASP A 37 1.336 -15.210 10.753 1.00 0.00 C ATOM 648 C ASP A 37 0.728 -13.984 10.080 1.00 0.00 C ATOM 649 O ASP A 37 0.625 -13.922 8.856 1.00 0.00 O ATOM 650 CB ASP A 37 0.241 -16.025 11.441 1.00 0.00 C ATOM 651 CG ASP A 37 0.788 -17.258 12.134 1.00 0.00 C ATOM 652 OD1 ASP A 37 1.241 -17.136 13.292 1.00 0.00 O ATOM 653 OD2 ASP A 37 0.765 -18.343 11.518 1.00 0.00 O ATOM 0 H ASP A 37 2.182 -15.133 12.670 1.00 0.00 H new ATOM 0 HA ASP A 37 1.809 -15.827 9.988 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -0.271 -15.398 12.171 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -0.502 -16.326 10.703 1.00 0.00 H new ATOM 658 N ARG A 38 0.325 -13.011 10.891 1.00 0.00 N ATOM 659 CA ARG A 38 -0.269 -11.783 10.378 1.00 0.00 C ATOM 660 C ARG A 38 0.790 -10.891 9.742 1.00 0.00 C ATOM 661 O ARG A 38 0.627 -10.428 8.616 1.00 0.00 O ATOM 662 CB ARG A 38 -0.977 -11.024 11.499 1.00 0.00 C ATOM 663 CG ARG A 38 -2.411 -11.468 11.731 1.00 0.00 C ATOM 664 CD ARG A 38 -3.312 -11.064 10.574 1.00 0.00 C ATOM 665 NE ARG A 38 -4.706 -11.424 10.817 1.00 0.00 N ATOM 666 CZ ARG A 38 -5.712 -11.050 10.033 1.00 0.00 C ATOM 667 NH1 ARG A 38 -5.480 -10.301 8.963 1.00 0.00 N ATOM 668 NH2 ARG A 38 -6.952 -11.423 10.318 1.00 0.00 N ATOM 0 H ARG A 38 0.399 -13.050 11.908 1.00 0.00 H new ATOM 0 HA ARG A 38 -0.998 -12.056 9.615 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -0.413 -11.151 12.423 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -0.970 -9.959 11.265 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -2.442 -12.550 11.858 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -2.785 -11.028 12.656 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -3.238 -9.988 10.415 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -2.967 -11.546 9.660 1.00 0.00 H new ATOM 0 HE ARG A 38 -4.920 -11.995 11.635 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -4.528 -10.011 8.740 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -6.254 -10.015 8.363 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -7.135 -11.998 11.140 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -7.723 -11.135 9.715 1.00 0.00 H new ATOM 682 N ARG A 39 1.873 -10.657 10.475 1.00 0.00 N ATOM 683 CA ARG A 39 2.966 -9.818 9.993 1.00 0.00 C ATOM 684 C ARG A 39 3.379 -10.201 8.576 1.00 0.00 C ATOM 685 O ARG A 39 3.697 -9.340 7.759 1.00 0.00 O ATOM 686 CB ARG A 39 4.175 -9.944 10.920 1.00 0.00 C ATOM 687 CG ARG A 39 3.909 -9.489 12.344 1.00 0.00 C ATOM 688 CD ARG A 39 5.061 -9.861 13.263 1.00 0.00 C ATOM 689 NE ARG A 39 6.346 -9.415 12.735 1.00 0.00 N ATOM 690 CZ ARG A 39 7.469 -10.121 12.828 1.00 0.00 C ATOM 691 NH1 ARG A 39 7.468 -11.302 13.432 1.00 0.00 N ATOM 692 NH2 ARG A 39 8.597 -9.648 12.315 1.00 0.00 N ATOM 0 H ARG A 39 2.018 -11.038 11.410 1.00 0.00 H new ATOM 0 HA ARG A 39 2.611 -8.787 9.985 1.00 0.00 H new ATOM 0 HB2 ARG A 39 4.501 -10.984 10.936 1.00 0.00 H new ATOM 0 HB3 ARG A 39 4.998 -9.358 10.510 1.00 0.00 H new ATOM 0 HG2 ARG A 39 3.760 -8.409 12.362 1.00 0.00 H new ATOM 0 HG3 ARG A 39 2.988 -9.944 12.708 1.00 0.00 H new ATOM 0 HD2 ARG A 39 4.899 -9.418 14.245 1.00 0.00 H new ATOM 0 HD3 ARG A 39 5.081 -10.942 13.400 1.00 0.00 H new ATOM 0 HE ARG A 39 6.385 -8.509 12.268 1.00 0.00 H new ATOM 0 HH11 ARG A 39 6.604 -11.672 13.827 1.00 0.00 H new ATOM 0 HH12 ARG A 39 8.332 -11.840 13.501 1.00 0.00 H new ATOM 0 HH21 ARG A 39 8.604 -8.741 11.848 1.00 0.00 H new ATOM 0 HH22 ARG A 39 9.457 -10.191 12.387 1.00 0.00 H new ATOM 706 N TYR A 40 3.364 -11.498 8.294 1.00 0.00 N ATOM 707 CA TYR A 40 3.756 -12.005 6.984 1.00 0.00 C ATOM 708 C TYR A 40 2.719 -11.685 5.910 1.00 0.00 C ATOM 709 O TYR A 40 3.027 -11.019 4.921 1.00 0.00 O ATOM 710 CB TYR A 40 3.980 -13.517 7.059 1.00 0.00 C ATOM 711 CG TYR A 40 4.438 -14.129 5.755 1.00 0.00 C ATOM 712 CD1 TYR A 40 5.664 -13.789 5.195 1.00 0.00 C ATOM 713 CD2 TYR A 40 3.643 -15.048 5.081 1.00 0.00 C ATOM 714 CE1 TYR A 40 6.082 -14.346 4.002 1.00 0.00 C ATOM 715 CE2 TYR A 40 4.055 -15.610 3.888 1.00 0.00 C ATOM 716 CZ TYR A 40 5.275 -15.255 3.352 1.00 0.00 C ATOM 717 OH TYR A 40 5.688 -15.811 2.163 1.00 0.00 O ATOM 0 H TYR A 40 3.084 -12.220 8.957 1.00 0.00 H new ATOM 0 HA TYR A 40 4.683 -11.507 6.702 1.00 0.00 H new ATOM 0 HB2 TYR A 40 4.722 -13.728 7.829 1.00 0.00 H new ATOM 0 HB3 TYR A 40 3.052 -13.998 7.370 1.00 0.00 H new ATOM 0 HD1 TYR A 40 6.300 -13.078 5.701 1.00 0.00 H new ATOM 0 HD2 TYR A 40 2.686 -15.328 5.497 1.00 0.00 H new ATOM 0 HE1 TYR A 40 7.037 -14.070 3.580 1.00 0.00 H new ATOM 0 HE2 TYR A 40 3.425 -16.324 3.378 1.00 0.00 H new ATOM 0 HH TYR A 40 5.004 -16.432 1.837 1.00 0.00 H new ATOM 727 N GLU A 41 1.492 -12.159 6.109 1.00 0.00 N ATOM 728 CA GLU A 41 0.418 -11.938 5.142 1.00 0.00 C ATOM 729 C GLU A 41 0.209 -10.453 4.851 1.00 0.00 C ATOM 730 O GLU A 41 0.046 -10.059 3.698 1.00 0.00 O ATOM 731 CB GLU A 41 -0.889 -12.563 5.640 1.00 0.00 C ATOM 732 CG GLU A 41 -1.390 -11.984 6.953 1.00 0.00 C ATOM 733 CD GLU A 41 -2.749 -12.528 7.348 1.00 0.00 C ATOM 734 OE1 GLU A 41 -2.796 -13.580 8.019 1.00 0.00 O ATOM 735 OE2 GLU A 41 -3.768 -11.903 6.986 1.00 0.00 O ATOM 0 H GLU A 41 1.216 -12.698 6.930 1.00 0.00 H new ATOM 0 HA GLU A 41 0.717 -12.421 4.211 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.657 -12.428 4.879 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -0.744 -13.637 5.760 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -0.671 -12.205 7.742 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -1.447 -10.899 6.869 1.00 0.00 H new ATOM 742 N VAL A 42 0.216 -9.635 5.898 1.00 0.00 N ATOM 743 CA VAL A 42 0.016 -8.199 5.742 1.00 0.00 C ATOM 744 C VAL A 42 1.230 -7.535 5.097 1.00 0.00 C ATOM 745 O VAL A 42 1.126 -6.444 4.540 1.00 0.00 O ATOM 746 CB VAL A 42 -0.279 -7.519 7.095 1.00 0.00 C ATOM 747 CG1 VAL A 42 -1.390 -8.255 7.830 1.00 0.00 C ATOM 748 CG2 VAL A 42 0.977 -7.440 7.952 1.00 0.00 C ATOM 0 H VAL A 42 0.358 -9.941 6.861 1.00 0.00 H new ATOM 0 HA VAL A 42 -0.847 -8.072 5.088 1.00 0.00 H new ATOM 0 HB VAL A 42 -0.613 -6.500 6.898 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -1.585 -7.762 8.782 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -2.296 -8.245 7.224 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.086 -9.286 8.011 1.00 0.00 H new ATOM 0 HG21 VAL A 42 0.741 -6.956 8.900 1.00 0.00 H new ATOM 0 HG22 VAL A 42 1.352 -8.446 8.141 1.00 0.00 H new ATOM 0 HG23 VAL A 42 1.738 -6.861 7.429 1.00 0.00 H new ATOM 758 N ALA A 43 2.379 -8.199 5.176 1.00 0.00 N ATOM 759 CA ALA A 43 3.610 -7.669 4.601 1.00 0.00 C ATOM 760 C ALA A 43 3.684 -7.957 3.107 1.00 0.00 C ATOM 761 O ALA A 43 4.297 -7.208 2.347 1.00 0.00 O ATOM 762 CB ALA A 43 4.821 -8.257 5.308 1.00 0.00 C ATOM 0 H ALA A 43 2.483 -9.105 5.633 1.00 0.00 H new ATOM 0 HA ALA A 43 3.609 -6.588 4.741 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.732 -7.852 4.867 1.00 0.00 H new ATOM 0 HB2 ALA A 43 4.785 -8.000 6.367 1.00 0.00 H new ATOM 0 HB3 ALA A 43 4.816 -9.341 5.197 1.00 0.00 H new ATOM 768 N ARG A 44 3.051 -9.049 2.694 1.00 0.00 N ATOM 769 CA ARG A 44 3.041 -9.448 1.296 1.00 0.00 C ATOM 770 C ARG A 44 2.012 -8.651 0.504 1.00 0.00 C ATOM 771 O ARG A 44 2.172 -8.433 -0.697 1.00 0.00 O ATOM 772 CB ARG A 44 2.743 -10.943 1.192 1.00 0.00 C ATOM 773 CG ARG A 44 3.898 -11.830 1.633 1.00 0.00 C ATOM 774 CD ARG A 44 5.093 -11.701 0.699 1.00 0.00 C ATOM 775 NE ARG A 44 4.800 -12.204 -0.640 1.00 0.00 N ATOM 776 CZ ARG A 44 5.580 -11.988 -1.695 1.00 0.00 C ATOM 777 NH1 ARG A 44 6.690 -11.274 -1.569 1.00 0.00 N ATOM 778 NH2 ARG A 44 5.249 -12.485 -2.880 1.00 0.00 N ATOM 0 H ARG A 44 2.536 -9.675 3.313 1.00 0.00 H new ATOM 0 HA ARG A 44 4.023 -9.242 0.871 1.00 0.00 H new ATOM 0 HB2 ARG A 44 1.868 -11.173 1.800 1.00 0.00 H new ATOM 0 HB3 ARG A 44 2.487 -11.182 0.160 1.00 0.00 H new ATOM 0 HG2 ARG A 44 4.197 -11.562 2.646 1.00 0.00 H new ATOM 0 HG3 ARG A 44 3.569 -12.869 1.662 1.00 0.00 H new ATOM 0 HD2 ARG A 44 5.392 -10.655 0.635 1.00 0.00 H new ATOM 0 HD3 ARG A 44 5.938 -12.249 1.115 1.00 0.00 H new ATOM 0 HE ARG A 44 3.950 -12.751 -0.774 1.00 0.00 H new ATOM 0 HH11 ARG A 44 6.948 -10.888 -0.661 1.00 0.00 H new ATOM 0 HH12 ARG A 44 7.286 -11.110 -2.380 1.00 0.00 H new ATOM 0 HH21 ARG A 44 4.395 -13.034 -2.983 1.00 0.00 H new ATOM 0 HH22 ARG A 44 5.848 -12.318 -3.688 1.00 0.00 H new ATOM 792 N VAL A 45 0.956 -8.217 1.184 1.00 0.00 N ATOM 793 CA VAL A 45 -0.100 -7.444 0.542 1.00 0.00 C ATOM 794 C VAL A 45 0.214 -5.951 0.568 1.00 0.00 C ATOM 795 O VAL A 45 -0.156 -5.213 -0.345 1.00 0.00 O ATOM 796 CB VAL A 45 -1.466 -7.694 1.213 1.00 0.00 C ATOM 797 CG1 VAL A 45 -1.764 -9.184 1.257 1.00 0.00 C ATOM 798 CG2 VAL A 45 -1.504 -7.097 2.612 1.00 0.00 C ATOM 0 H VAL A 45 0.809 -8.387 2.179 1.00 0.00 H new ATOM 0 HA VAL A 45 -0.152 -7.776 -0.495 1.00 0.00 H new ATOM 0 HB VAL A 45 -2.235 -7.201 0.619 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -2.731 -9.348 1.733 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -1.787 -9.581 0.242 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -0.988 -9.694 1.828 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -2.478 -7.287 3.063 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -0.726 -7.553 3.224 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -1.335 -6.022 2.553 1.00 0.00 H new ATOM 808 N LEU A 46 0.900 -5.515 1.619 1.00 0.00 N ATOM 809 CA LEU A 46 1.262 -4.110 1.767 1.00 0.00 C ATOM 810 C LEU A 46 2.656 -3.841 1.203 1.00 0.00 C ATOM 811 O LEU A 46 3.158 -2.719 1.272 1.00 0.00 O ATOM 812 CB LEU A 46 1.195 -3.699 3.241 1.00 0.00 C ATOM 813 CG LEU A 46 -0.201 -3.732 3.863 1.00 0.00 C ATOM 814 CD1 LEU A 46 -0.128 -3.372 5.338 1.00 0.00 C ATOM 815 CD2 LEU A 46 -1.135 -2.785 3.124 1.00 0.00 C ATOM 0 H LEU A 46 1.217 -6.114 2.381 1.00 0.00 H new ATOM 0 HA LEU A 46 0.547 -3.512 1.201 1.00 0.00 H new ATOM 0 HB2 LEU A 46 1.847 -4.357 3.815 1.00 0.00 H new ATOM 0 HB3 LEU A 46 1.595 -2.690 3.339 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.600 -4.743 3.774 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -1.129 -3.399 5.769 1.00 0.00 H new ATOM 0 HD12 LEU A 46 0.510 -4.088 5.856 1.00 0.00 H new ATOM 0 HD13 LEU A 46 0.287 -2.370 5.448 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -2.125 -2.821 3.580 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -0.745 -1.769 3.183 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -1.206 -3.086 2.079 1.00 0.00 H new ATOM 827 N ASN A 47 3.273 -4.881 0.645 1.00 0.00 N ATOM 828 CA ASN A 47 4.604 -4.769 0.053 1.00 0.00 C ATOM 829 C ASN A 47 5.631 -4.272 1.067 1.00 0.00 C ATOM 830 O ASN A 47 6.574 -3.564 0.714 1.00 0.00 O ATOM 831 CB ASN A 47 4.569 -3.827 -1.153 1.00 0.00 C ATOM 832 CG ASN A 47 3.609 -4.301 -2.228 1.00 0.00 C ATOM 833 OD1 ASN A 47 3.386 -5.500 -2.394 1.00 0.00 O ATOM 834 ND2 ASN A 47 3.036 -3.357 -2.966 1.00 0.00 N ATOM 0 H ASN A 47 2.869 -5.816 0.591 1.00 0.00 H new ATOM 0 HA ASN A 47 4.905 -5.765 -0.272 1.00 0.00 H new ATOM 0 HB2 ASN A 47 4.278 -2.830 -0.823 1.00 0.00 H new ATOM 0 HB3 ASN A 47 5.571 -3.744 -1.575 1.00 0.00 H new ATOM 0 HD21 ASN A 47 2.382 -3.614 -3.705 1.00 0.00 H new ATOM 0 HD22 ASN A 47 3.250 -2.375 -2.794 1.00 0.00 H new ATOM 841 N LEU A 48 5.450 -4.658 2.325 1.00 0.00 N ATOM 842 CA LEU A 48 6.365 -4.251 3.385 1.00 0.00 C ATOM 843 C LEU A 48 7.110 -5.456 3.951 1.00 0.00 C ATOM 844 O LEU A 48 6.894 -6.588 3.521 1.00 0.00 O ATOM 845 CB LEU A 48 5.600 -3.539 4.505 1.00 0.00 C ATOM 846 CG LEU A 48 4.628 -2.449 4.042 1.00 0.00 C ATOM 847 CD1 LEU A 48 4.004 -1.748 5.239 1.00 0.00 C ATOM 848 CD2 LEU A 48 5.332 -1.442 3.142 1.00 0.00 C ATOM 0 H LEU A 48 4.680 -5.251 2.635 1.00 0.00 H new ATOM 0 HA LEU A 48 7.093 -3.562 2.957 1.00 0.00 H new ATOM 0 HB2 LEU A 48 5.042 -4.284 5.072 1.00 0.00 H new ATOM 0 HB3 LEU A 48 6.322 -3.093 5.189 1.00 0.00 H new ATOM 0 HG LEU A 48 3.834 -2.924 3.466 1.00 0.00 H new ATOM 0 HD11 LEU A 48 3.316 -0.977 4.891 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.460 -2.474 5.843 1.00 0.00 H new ATOM 0 HD13 LEU A 48 4.788 -1.290 5.842 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.622 -0.678 2.826 1.00 0.00 H new ATOM 0 HD22 LEU A 48 6.149 -0.973 3.690 1.00 0.00 H new ATOM 0 HD23 LEU A 48 5.729 -1.953 2.265 1.00 0.00 H new ATOM 860 N THR A 49 7.990 -5.204 4.916 1.00 0.00 N ATOM 861 CA THR A 49 8.763 -6.271 5.542 1.00 0.00 C ATOM 862 C THR A 49 8.067 -6.771 6.803 1.00 0.00 C ATOM 863 O THR A 49 7.374 -6.012 7.480 1.00 0.00 O ATOM 864 CB THR A 49 10.187 -5.802 5.899 1.00 0.00 C ATOM 865 OG1 THR A 49 10.798 -5.184 4.760 1.00 0.00 O ATOM 866 CG2 THR A 49 11.044 -6.971 6.362 1.00 0.00 C ATOM 0 H THR A 49 8.185 -4.272 5.281 1.00 0.00 H new ATOM 0 HA THR A 49 8.835 -7.084 4.819 1.00 0.00 H new ATOM 0 HB THR A 49 10.113 -5.080 6.712 1.00 0.00 H new ATOM 0 HG1 THR A 49 11.702 -4.887 4.995 1.00 0.00 H new ATOM 0 HG21 THR A 49 12.044 -6.614 6.608 1.00 0.00 H new ATOM 0 HG22 THR A 49 10.594 -7.425 7.245 1.00 0.00 H new ATOM 0 HG23 THR A 49 11.109 -7.712 5.566 1.00 0.00 H new ATOM 874 N GLU A 50 8.255 -8.050 7.112 1.00 0.00 N ATOM 875 CA GLU A 50 7.639 -8.658 8.287 1.00 0.00 C ATOM 876 C GLU A 50 7.982 -7.884 9.556 1.00 0.00 C ATOM 877 O GLU A 50 7.160 -7.772 10.466 1.00 0.00 O ATOM 878 CB GLU A 50 8.091 -10.112 8.429 1.00 0.00 C ATOM 879 CG GLU A 50 7.822 -10.955 7.193 1.00 0.00 C ATOM 880 CD GLU A 50 8.292 -12.388 7.350 1.00 0.00 C ATOM 881 OE1 GLU A 50 9.463 -12.669 7.015 1.00 0.00 O ATOM 882 OE2 GLU A 50 7.490 -13.228 7.808 1.00 0.00 O ATOM 0 H GLU A 50 8.831 -8.688 6.563 1.00 0.00 H new ATOM 0 HA GLU A 50 6.558 -8.627 8.150 1.00 0.00 H new ATOM 0 HB2 GLU A 50 9.159 -10.132 8.647 1.00 0.00 H new ATOM 0 HB3 GLU A 50 7.582 -10.560 9.282 1.00 0.00 H new ATOM 0 HG2 GLU A 50 6.753 -10.949 6.979 1.00 0.00 H new ATOM 0 HG3 GLU A 50 8.321 -10.505 6.335 1.00 0.00 H new ATOM 889 N ARG A 51 9.198 -7.351 9.610 1.00 0.00 N ATOM 890 CA ARG A 51 9.650 -6.594 10.772 1.00 0.00 C ATOM 891 C ARG A 51 9.136 -5.159 10.733 1.00 0.00 C ATOM 892 O ARG A 51 8.733 -4.609 11.756 1.00 0.00 O ATOM 893 CB ARG A 51 11.180 -6.598 10.854 1.00 0.00 C ATOM 894 CG ARG A 51 11.765 -7.907 11.361 1.00 0.00 C ATOM 895 CD ARG A 51 11.600 -9.030 10.348 1.00 0.00 C ATOM 896 NE ARG A 51 12.348 -8.770 9.122 1.00 0.00 N ATOM 897 CZ ARG A 51 12.420 -9.623 8.105 1.00 0.00 C ATOM 898 NH1 ARG A 51 11.786 -10.787 8.163 1.00 0.00 N ATOM 899 NH2 ARG A 51 13.127 -9.313 7.027 1.00 0.00 N ATOM 0 H ARG A 51 9.888 -7.429 8.863 1.00 0.00 H new ATOM 0 HA ARG A 51 9.244 -7.079 11.660 1.00 0.00 H new ATOM 0 HB2 ARG A 51 11.588 -6.388 9.865 1.00 0.00 H new ATOM 0 HB3 ARG A 51 11.501 -5.789 11.510 1.00 0.00 H new ATOM 0 HG2 ARG A 51 12.823 -7.770 11.583 1.00 0.00 H new ATOM 0 HG3 ARG A 51 11.277 -8.186 12.295 1.00 0.00 H new ATOM 0 HD2 ARG A 51 11.938 -9.968 10.788 1.00 0.00 H new ATOM 0 HD3 ARG A 51 10.543 -9.152 10.110 1.00 0.00 H new ATOM 0 HE ARG A 51 12.844 -7.883 9.041 1.00 0.00 H new ATOM 0 HH11 ARG A 51 11.241 -11.030 8.990 1.00 0.00 H new ATOM 0 HH12 ARG A 51 11.844 -11.439 7.381 1.00 0.00 H new ATOM 0 HH21 ARG A 51 13.616 -8.419 6.978 1.00 0.00 H new ATOM 0 HH22 ARG A 51 13.182 -9.968 6.247 1.00 0.00 H new ATOM 913 N GLN A 52 9.149 -4.557 9.546 1.00 0.00 N ATOM 914 CA GLN A 52 8.690 -3.181 9.381 1.00 0.00 C ATOM 915 C GLN A 52 7.250 -3.011 9.862 1.00 0.00 C ATOM 916 O GLN A 52 6.821 -1.901 10.174 1.00 0.00 O ATOM 917 CB GLN A 52 8.806 -2.749 7.917 1.00 0.00 C ATOM 918 CG GLN A 52 10.241 -2.589 7.435 1.00 0.00 C ATOM 919 CD GLN A 52 10.922 -1.357 8.004 1.00 0.00 C ATOM 920 OE1 GLN A 52 10.604 -0.908 9.105 1.00 0.00 O ATOM 921 NE2 GLN A 52 11.869 -0.805 7.253 1.00 0.00 N ATOM 0 H GLN A 52 9.472 -5.000 8.686 1.00 0.00 H new ATOM 0 HA GLN A 52 9.330 -2.545 9.993 1.00 0.00 H new ATOM 0 HB2 GLN A 52 8.302 -3.484 7.290 1.00 0.00 H new ATOM 0 HB3 GLN A 52 8.281 -1.803 7.784 1.00 0.00 H new ATOM 0 HG2 GLN A 52 10.813 -3.475 7.712 1.00 0.00 H new ATOM 0 HG3 GLN A 52 10.249 -2.532 6.347 1.00 0.00 H new ATOM 0 HE21 GLN A 52 12.101 -1.210 6.346 1.00 0.00 H new ATOM 0 HE22 GLN A 52 12.364 0.024 7.583 1.00 0.00 H new ATOM 930 N VAL A 53 6.507 -4.113 9.921 1.00 0.00 N ATOM 931 CA VAL A 53 5.118 -4.072 10.369 1.00 0.00 C ATOM 932 C VAL A 53 5.030 -3.832 11.874 1.00 0.00 C ATOM 933 O VAL A 53 4.445 -2.844 12.320 1.00 0.00 O ATOM 934 CB VAL A 53 4.371 -5.376 10.021 1.00 0.00 C ATOM 935 CG1 VAL A 53 2.949 -5.345 10.560 1.00 0.00 C ATOM 936 CG2 VAL A 53 4.368 -5.605 8.518 1.00 0.00 C ATOM 0 H VAL A 53 6.842 -5.042 9.665 1.00 0.00 H new ATOM 0 HA VAL A 53 4.644 -3.243 9.844 1.00 0.00 H new ATOM 0 HB VAL A 53 4.896 -6.205 10.495 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.442 -6.275 10.302 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.973 -5.233 11.644 1.00 0.00 H new ATOM 0 HG13 VAL A 53 2.412 -4.505 10.120 1.00 0.00 H new ATOM 0 HG21 VAL A 53 3.837 -6.529 8.292 1.00 0.00 H new ATOM 0 HG22 VAL A 53 3.871 -4.770 8.024 1.00 0.00 H new ATOM 0 HG23 VAL A 53 5.395 -5.680 8.159 1.00 0.00 H new ATOM 946 N LYS A 54 5.616 -4.736 12.653 1.00 0.00 N ATOM 947 CA LYS A 54 5.594 -4.618 14.107 1.00 0.00 C ATOM 948 C LYS A 54 6.289 -3.338 14.564 1.00 0.00 C ATOM 949 O LYS A 54 5.854 -2.692 15.518 1.00 0.00 O ATOM 950 CB LYS A 54 6.256 -5.837 14.756 1.00 0.00 C ATOM 951 CG LYS A 54 7.730 -5.981 14.434 1.00 0.00 C ATOM 952 CD LYS A 54 8.327 -7.185 15.139 1.00 0.00 C ATOM 953 CE LYS A 54 9.636 -7.601 14.500 1.00 0.00 C ATOM 954 NZ LYS A 54 10.696 -6.573 14.684 1.00 0.00 N ATOM 0 H LYS A 54 6.111 -5.556 12.303 1.00 0.00 H new ATOM 0 HA LYS A 54 4.552 -4.574 14.423 1.00 0.00 H new ATOM 0 HB2 LYS A 54 6.135 -5.771 15.837 1.00 0.00 H new ATOM 0 HB3 LYS A 54 5.734 -6.737 14.432 1.00 0.00 H new ATOM 0 HG2 LYS A 54 7.862 -6.084 13.357 1.00 0.00 H new ATOM 0 HG3 LYS A 54 8.261 -5.078 14.736 1.00 0.00 H new ATOM 0 HD2 LYS A 54 8.491 -6.949 16.190 1.00 0.00 H new ATOM 0 HD3 LYS A 54 7.622 -8.016 15.105 1.00 0.00 H new ATOM 0 HE2 LYS A 54 9.967 -8.545 14.933 1.00 0.00 H new ATOM 0 HE3 LYS A 54 9.481 -7.775 13.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 11.627 -6.998 14.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 10.536 -5.787 14.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 10.667 -6.215 15.660 1.00 0.00 H new ATOM 968 N ILE A 55 7.366 -2.975 13.876 1.00 0.00 N ATOM 969 CA ILE A 55 8.119 -1.772 14.209 1.00 0.00 C ATOM 970 C ILE A 55 7.305 -0.517 13.906 1.00 0.00 C ATOM 971 O ILE A 55 7.470 0.514 14.558 1.00 0.00 O ATOM 972 CB ILE A 55 9.453 -1.714 13.436 1.00 0.00 C ATOM 973 CG1 ILE A 55 10.303 -2.945 13.753 1.00 0.00 C ATOM 974 CG2 ILE A 55 10.212 -0.438 13.776 1.00 0.00 C ATOM 975 CD1 ILE A 55 11.536 -3.074 12.883 1.00 0.00 C ATOM 0 H ILE A 55 7.737 -3.498 13.083 1.00 0.00 H new ATOM 0 HA ILE A 55 8.332 -1.812 15.277 1.00 0.00 H new ATOM 0 HB ILE A 55 9.236 -1.708 12.368 1.00 0.00 H new ATOM 0 HG12 ILE A 55 10.609 -2.905 14.798 1.00 0.00 H new ATOM 0 HG13 ILE A 55 9.690 -3.839 13.635 1.00 0.00 H new ATOM 0 HG21 ILE A 55 11.150 -0.414 13.222 1.00 0.00 H new ATOM 0 HG22 ILE A 55 9.608 0.428 13.505 1.00 0.00 H new ATOM 0 HG23 ILE A 55 10.422 -0.413 14.845 1.00 0.00 H new ATOM 0 HD11 ILE A 55 12.089 -3.970 13.166 1.00 0.00 H new ATOM 0 HD12 ILE A 55 11.237 -3.147 11.837 1.00 0.00 H new ATOM 0 HD13 ILE A 55 12.171 -2.198 13.019 1.00 0.00 H new ATOM 987 N TRP A 56 6.423 -0.614 12.916 1.00 0.00 N ATOM 988 CA TRP A 56 5.581 0.513 12.528 1.00 0.00 C ATOM 989 C TRP A 56 4.656 0.918 13.672 1.00 0.00 C ATOM 990 O TRP A 56 4.525 2.102 13.988 1.00 0.00 O ATOM 991 CB TRP A 56 4.755 0.159 11.288 1.00 0.00 C ATOM 992 CG TRP A 56 3.935 1.302 10.770 1.00 0.00 C ATOM 993 CD1 TRP A 56 2.682 1.663 11.176 1.00 0.00 C ATOM 994 CD2 TRP A 56 4.308 2.231 9.746 1.00 0.00 C ATOM 995 NE1 TRP A 56 2.255 2.760 10.470 1.00 0.00 N ATOM 996 CE2 TRP A 56 3.235 3.129 9.586 1.00 0.00 C ATOM 997 CE3 TRP A 56 5.446 2.394 8.950 1.00 0.00 C ATOM 998 CZ2 TRP A 56 3.268 4.172 8.664 1.00 0.00 C ATOM 999 CZ3 TRP A 56 5.477 3.430 8.035 1.00 0.00 C ATOM 1000 CH2 TRP A 56 4.394 4.306 7.899 1.00 0.00 C ATOM 0 H TRP A 56 6.273 -1.461 12.368 1.00 0.00 H new ATOM 0 HA TRP A 56 6.231 1.356 12.293 1.00 0.00 H new ATOM 0 HB2 TRP A 56 5.426 -0.183 10.500 1.00 0.00 H new ATOM 0 HB3 TRP A 56 4.093 -0.673 11.527 1.00 0.00 H new ATOM 0 HD1 TRP A 56 2.110 1.159 11.941 1.00 0.00 H new ATOM 0 HE1 TRP A 56 1.354 3.225 10.585 1.00 0.00 H new ATOM 0 HE3 TRP A 56 6.286 1.722 9.048 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 2.435 4.851 8.557 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 6.351 3.565 7.415 1.00 0.00 H new ATOM 0 HH2 TRP A 56 4.448 5.105 7.174 1.00 0.00 H new ATOM 1011 N PHE A 57 4.014 -0.070 14.289 1.00 0.00 N ATOM 1012 CA PHE A 57 3.103 0.188 15.399 1.00 0.00 C ATOM 1013 C PHE A 57 3.871 0.613 16.645 1.00 0.00 C ATOM 1014 O PHE A 57 3.445 1.509 17.373 1.00 0.00 O ATOM 1015 CB PHE A 57 2.267 -1.056 15.708 1.00 0.00 C ATOM 1016 CG PHE A 57 1.381 -1.485 14.575 1.00 0.00 C ATOM 1017 CD1 PHE A 57 0.223 -0.783 14.280 1.00 0.00 C ATOM 1018 CD2 PHE A 57 1.703 -2.592 13.808 1.00 0.00 C ATOM 1019 CE1 PHE A 57 -0.596 -1.177 13.238 1.00 0.00 C ATOM 1020 CE2 PHE A 57 0.888 -2.991 12.766 1.00 0.00 C ATOM 1021 CZ PHE A 57 -0.263 -2.282 12.480 1.00 0.00 C ATOM 0 H PHE A 57 4.108 -1.055 14.040 1.00 0.00 H new ATOM 0 HA PHE A 57 2.438 1.000 15.104 1.00 0.00 H new ATOM 0 HB2 PHE A 57 2.936 -1.877 15.966 1.00 0.00 H new ATOM 0 HB3 PHE A 57 1.651 -0.860 16.585 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -0.043 0.081 14.871 1.00 0.00 H new ATOM 0 HD2 PHE A 57 2.601 -3.150 14.027 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -1.495 -0.621 13.017 1.00 0.00 H new ATOM 0 HE2 PHE A 57 1.150 -3.856 12.176 1.00 0.00 H new ATOM 0 HZ PHE A 57 -0.901 -2.592 11.665 1.00 0.00 H new ATOM 1031 N GLN A 58 5.005 -0.040 16.884 1.00 0.00 N ATOM 1032 CA GLN A 58 5.834 0.265 18.043 1.00 0.00 C ATOM 1033 C GLN A 58 6.260 1.730 18.044 1.00 0.00 C ATOM 1034 O GLN A 58 6.038 2.448 19.020 1.00 0.00 O ATOM 1035 CB GLN A 58 7.067 -0.640 18.061 1.00 0.00 C ATOM 1036 CG GLN A 58 6.752 -2.085 18.410 1.00 0.00 C ATOM 1037 CD GLN A 58 7.963 -2.991 18.301 1.00 0.00 C ATOM 1038 OE1 GLN A 58 8.866 -2.747 17.501 1.00 0.00 O ATOM 1039 NE2 GLN A 58 7.987 -4.047 19.107 1.00 0.00 N ATOM 0 H GLN A 58 5.370 -0.784 16.289 1.00 0.00 H new ATOM 0 HA GLN A 58 5.242 0.083 18.940 1.00 0.00 H new ATOM 0 HB2 GLN A 58 7.547 -0.607 17.083 1.00 0.00 H new ATOM 0 HB3 GLN A 58 7.785 -0.248 18.782 1.00 0.00 H new ATOM 0 HG2 GLN A 58 6.359 -2.132 19.426 1.00 0.00 H new ATOM 0 HG3 GLN A 58 5.968 -2.452 17.747 1.00 0.00 H new ATOM 0 HE21 GLN A 58 7.217 -4.211 19.755 1.00 0.00 H new ATOM 0 HE22 GLN A 58 8.776 -4.693 19.077 1.00 0.00 H new ATOM 1048 N ASN A 59 6.871 2.165 16.947 1.00 0.00 N ATOM 1049 CA ASN A 59 7.328 3.546 16.814 1.00 0.00 C ATOM 1050 C ASN A 59 6.196 4.531 17.087 1.00 0.00 C ATOM 1051 O ASN A 59 6.371 5.504 17.823 1.00 0.00 O ATOM 1052 CB ASN A 59 7.891 3.786 15.414 1.00 0.00 C ATOM 1053 CG ASN A 59 9.178 3.025 15.164 1.00 0.00 C ATOM 1054 OD1 ASN A 59 9.947 2.763 16.088 1.00 0.00 O ATOM 1055 ND2 ASN A 59 9.418 2.666 13.909 1.00 0.00 N ATOM 0 H ASN A 59 7.062 1.580 16.134 1.00 0.00 H new ATOM 0 HA ASN A 59 8.113 3.709 17.553 1.00 0.00 H new ATOM 0 HB2 ASN A 59 7.149 3.490 14.673 1.00 0.00 H new ATOM 0 HB3 ASN A 59 8.071 4.852 15.277 1.00 0.00 H new ATOM 0 HD21 ASN A 59 10.268 2.152 13.679 1.00 0.00 H new ATOM 0 HD22 ASN A 59 8.752 2.905 13.174 1.00 0.00 H new ATOM 1062 N ARG A 60 5.041 4.276 16.484 1.00 0.00 N ATOM 1063 CA ARG A 60 3.876 5.139 16.653 1.00 0.00 C ATOM 1064 C ARG A 60 3.505 5.287 18.128 1.00 0.00 C ATOM 1065 O ARG A 60 2.904 6.284 18.528 1.00 0.00 O ATOM 1066 CB ARG A 60 2.686 4.579 15.870 1.00 0.00 C ATOM 1067 CG ARG A 60 1.450 5.468 15.911 1.00 0.00 C ATOM 1068 CD ARG A 60 1.672 6.770 15.157 1.00 0.00 C ATOM 1069 NE ARG A 60 1.877 6.544 13.728 1.00 0.00 N ATOM 1070 CZ ARG A 60 2.525 7.388 12.932 1.00 0.00 C ATOM 1071 NH1 ARG A 60 3.028 8.515 13.420 1.00 0.00 N ATOM 1072 NH2 ARG A 60 2.671 7.106 11.644 1.00 0.00 N ATOM 0 H ARG A 60 4.885 3.476 15.871 1.00 0.00 H new ATOM 0 HA ARG A 60 4.131 6.125 16.266 1.00 0.00 H new ATOM 0 HB2 ARG A 60 2.983 4.433 14.831 1.00 0.00 H new ATOM 0 HB3 ARG A 60 2.430 3.598 16.269 1.00 0.00 H new ATOM 0 HG2 ARG A 60 0.604 4.936 15.477 1.00 0.00 H new ATOM 0 HG3 ARG A 60 1.192 5.686 16.947 1.00 0.00 H new ATOM 0 HD2 ARG A 60 0.812 7.424 15.301 1.00 0.00 H new ATOM 0 HD3 ARG A 60 2.538 7.286 15.571 1.00 0.00 H new ATOM 0 HE ARG A 60 1.501 5.689 13.318 1.00 0.00 H new ATOM 0 HH11 ARG A 60 2.918 8.736 14.410 1.00 0.00 H new ATOM 0 HH12 ARG A 60 3.525 9.160 12.805 1.00 0.00 H new ATOM 0 HH21 ARG A 60 2.286 6.241 11.264 1.00 0.00 H new ATOM 0 HH22 ARG A 60 3.168 7.754 11.033 1.00 0.00 H new ATOM 1086 N ARG A 61 3.857 4.287 18.929 1.00 0.00 N ATOM 1087 CA ARG A 61 3.557 4.310 20.358 1.00 0.00 C ATOM 1088 C ARG A 61 4.614 5.086 21.144 1.00 0.00 C ATOM 1089 O ARG A 61 4.282 5.895 22.010 1.00 0.00 O ATOM 1090 CB ARG A 61 3.451 2.883 20.900 1.00 0.00 C ATOM 1091 CG ARG A 61 2.272 2.103 20.341 1.00 0.00 C ATOM 1092 CD ARG A 61 0.946 2.682 20.808 1.00 0.00 C ATOM 1093 NE ARG A 61 -0.194 1.966 20.240 1.00 0.00 N ATOM 1094 CZ ARG A 61 -1.454 2.365 20.371 1.00 0.00 C ATOM 1095 NH1 ARG A 61 -1.737 3.474 21.041 1.00 0.00 N ATOM 1096 NH2 ARG A 61 -2.435 1.656 19.829 1.00 0.00 N ATOM 0 H ARG A 61 4.350 3.451 18.615 1.00 0.00 H new ATOM 0 HA ARG A 61 2.602 4.819 20.485 1.00 0.00 H new ATOM 0 HB2 ARG A 61 4.372 2.347 20.670 1.00 0.00 H new ATOM 0 HB3 ARG A 61 3.368 2.922 21.986 1.00 0.00 H new ATOM 0 HG2 ARG A 61 2.311 2.114 19.252 1.00 0.00 H new ATOM 0 HG3 ARG A 61 2.344 1.061 20.652 1.00 0.00 H new ATOM 0 HD2 ARG A 61 0.895 2.640 21.896 1.00 0.00 H new ATOM 0 HD3 ARG A 61 0.890 3.734 20.527 1.00 0.00 H new ATOM 0 HE ARG A 61 -0.012 1.112 19.713 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -0.986 4.024 21.458 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -2.706 3.777 21.139 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -2.222 0.803 19.311 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -3.402 1.963 19.930 1.00 0.00 H new ATOM 1110 N MET A 62 5.884 4.828 20.839 1.00 0.00 N ATOM 1111 CA MET A 62 6.994 5.487 21.525 1.00 0.00 C ATOM 1112 C MET A 62 6.841 7.006 21.536 1.00 0.00 C ATOM 1113 O MET A 62 7.101 7.653 22.552 1.00 0.00 O ATOM 1114 CB MET A 62 8.322 5.109 20.867 1.00 0.00 C ATOM 1115 CG MET A 62 8.518 3.610 20.715 1.00 0.00 C ATOM 1116 SD MET A 62 10.237 3.163 20.406 1.00 0.00 S ATOM 1117 CE MET A 62 10.549 4.046 18.880 1.00 0.00 C ATOM 0 H MET A 62 6.171 4.165 20.119 1.00 0.00 H new ATOM 0 HA MET A 62 6.984 5.143 22.559 1.00 0.00 H new ATOM 0 HB2 MET A 62 8.377 5.576 19.884 1.00 0.00 H new ATOM 0 HB3 MET A 62 9.141 5.516 21.460 1.00 0.00 H new ATOM 0 HG2 MET A 62 8.173 3.109 21.619 1.00 0.00 H new ATOM 0 HG3 MET A 62 7.899 3.248 19.894 1.00 0.00 H new ATOM 0 HE1 MET A 62 11.090 3.399 18.189 1.00 0.00 H new ATOM 0 HE2 MET A 62 9.601 4.343 18.431 1.00 0.00 H new ATOM 0 HE3 MET A 62 11.146 4.934 19.089 1.00 0.00 H new ATOM 1127 N LYS A 63 6.427 7.573 20.408 1.00 0.00 N ATOM 1128 CA LYS A 63 6.254 9.019 20.303 1.00 0.00 C ATOM 1129 C LYS A 63 5.251 9.529 21.336 1.00 0.00 C ATOM 1130 O LYS A 63 5.417 10.619 21.888 1.00 0.00 O ATOM 1131 CB LYS A 63 5.795 9.406 18.896 1.00 0.00 C ATOM 1132 CG LYS A 63 4.457 8.802 18.504 1.00 0.00 C ATOM 1133 CD LYS A 63 3.905 9.441 17.240 1.00 0.00 C ATOM 1134 CE LYS A 63 3.428 10.862 17.497 1.00 0.00 C ATOM 1135 NZ LYS A 63 2.205 10.894 18.347 1.00 0.00 N ATOM 0 H LYS A 63 6.206 7.057 19.556 1.00 0.00 H new ATOM 0 HA LYS A 63 7.220 9.484 20.501 1.00 0.00 H new ATOM 0 HB2 LYS A 63 5.727 10.492 18.831 1.00 0.00 H new ATOM 0 HB3 LYS A 63 6.551 9.091 18.177 1.00 0.00 H new ATOM 0 HG2 LYS A 63 4.572 7.729 18.350 1.00 0.00 H new ATOM 0 HG3 LYS A 63 3.745 8.932 19.319 1.00 0.00 H new ATOM 0 HD2 LYS A 63 4.675 9.448 16.469 1.00 0.00 H new ATOM 0 HD3 LYS A 63 3.078 8.842 16.859 1.00 0.00 H new ATOM 0 HE2 LYS A 63 4.222 11.429 17.983 1.00 0.00 H new ATOM 0 HE3 LYS A 63 3.222 11.353 16.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 1.768 11.836 18.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 1.529 10.179 18.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 2.462 10.689 19.334 1.00 0.00 H new