USER MOD reduce.3.24.130724 H: found=0, std=0, add=661, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 662 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 22 ASN : amide:sc= -3.56! C(o=-3.6!,f=-5.2!) USER MOD Single : A 25 GLN : amide:sc= -0.329 X(o=-0.33,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 155:sc= -0.7 (180deg=-1.4) USER MOD Single : A 31 THR OG1 : rot -45:sc= 1.1 USER MOD Single : A 32 LYS NZ :NH3+ 154:sc= -0.195 (180deg=-1.07) USER MOD Single : A 33 MET CE :methyl -148:sc= 0 (180deg=-0.417) USER MOD Single : A 41 GLN :FLIP amide:sc= -3.24 F(o=-4.7!,f=-3.2) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 140:sc= 1.04 USER MOD Single : A 47 LYS NZ :NH3+ -141:sc= -1.53 (180deg=-6.33!) USER MOD Single : A 51 LYS NZ :NH3+ -151:sc= -4.51! (180deg=-5.76!) USER MOD Single : A 52 SER OG : rot 180:sc= -1.9 USER MOD Single : A 55 SER OG : rot 180:sc= 0.1 USER MOD Single : A 58 MET CE :methyl -163:sc= 0 (180deg=-0.295) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 HIS : no HD1:sc= -0.686 K(o=-0.69,f=-1.6) USER MOD Single : A 71 GLN : amide:sc= -3.23! C(o=-3.2!,f=-4.7!) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= -1.03 X(o=-1,f=-1.5!) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 GLN :FLIP amide:sc= -3.74! C(o=-6.7!,f=-3.7!) USER MOD Single : A 93 GLN : amide:sc= -3.19! C(o=-3.2!,f=-6!) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.00171 USER MOD Single : A 97 THR OG1 : rot 75:sc= 0.665 USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 GLN : amide:sc= -0.0841 X(o=-0.084,f=0) USER MOD Single : A 104 LYS NZ :NH3+ 168:sc=-0.00223 (180deg=-0.161) USER MOD Single : A 105 TYR OH : rot 180:sc= -0.0887 USER MOD ----------------------------------------------------------------- ATOM 275 N ASN A 22 8.502 -19.614 2.811 1.00 0.00 N ATOM 276 CA ASN A 22 8.581 -18.954 1.502 1.00 0.00 C ATOM 277 C ASN A 22 7.255 -18.299 1.112 1.00 0.00 C ATOM 278 O ASN A 22 7.029 -17.128 1.398 1.00 0.00 O ATOM 279 CB ASN A 22 8.975 -19.984 0.438 1.00 0.00 C ATOM 280 CG ASN A 22 8.186 -21.273 0.640 1.00 0.00 C ATOM 281 OD1 ASN A 22 7.319 -21.341 1.511 1.00 0.00 O ATOM 282 ND2 ASN A 22 8.434 -22.305 -0.119 1.00 0.00 N ATOM 0 HA ASN A 22 9.333 -18.168 1.567 1.00 0.00 H new ATOM 0 HB2 ASN A 22 8.782 -19.583 -0.557 1.00 0.00 H new ATOM 0 HB3 ASN A 22 10.044 -20.189 0.498 1.00 0.00 H new ATOM 0 HD21 ASN A 22 7.909 -23.170 0.009 1.00 0.00 H new ATOM 0 HD22 ASN A 22 9.153 -22.247 -0.840 1.00 0.00 H new ATOM 289 N ALA A 23 6.394 -19.056 0.439 1.00 0.00 N ATOM 290 CA ALA A 23 5.108 -18.529 -0.009 1.00 0.00 C ATOM 291 C ALA A 23 4.371 -17.830 1.127 1.00 0.00 C ATOM 292 O ALA A 23 3.955 -16.680 0.994 1.00 0.00 O ATOM 293 CB ALA A 23 4.242 -19.666 -0.555 1.00 0.00 C ATOM 0 H ALA A 23 6.561 -20.032 0.192 1.00 0.00 H new ATOM 0 HA ALA A 23 5.299 -17.799 -0.796 1.00 0.00 H new ATOM 0 HB1 ALA A 23 3.284 -19.266 -0.888 1.00 0.00 H new ATOM 0 HB2 ALA A 23 4.750 -20.138 -1.396 1.00 0.00 H new ATOM 0 HB3 ALA A 23 4.074 -20.405 0.229 1.00 0.00 H new ATOM 299 N ALA A 24 4.204 -18.534 2.237 1.00 0.00 N ATOM 300 CA ALA A 24 3.499 -17.970 3.386 1.00 0.00 C ATOM 301 C ALA A 24 4.156 -16.672 3.850 1.00 0.00 C ATOM 302 O ALA A 24 3.501 -15.632 3.951 1.00 0.00 O ATOM 303 CB ALA A 24 3.486 -18.981 4.536 1.00 0.00 C ATOM 0 H ALA A 24 4.542 -19.487 2.369 1.00 0.00 H new ATOM 0 HA ALA A 24 2.476 -17.748 3.082 1.00 0.00 H new ATOM 0 HB1 ALA A 24 2.959 -18.554 5.389 1.00 0.00 H new ATOM 0 HB2 ALA A 24 2.979 -19.891 4.215 1.00 0.00 H new ATOM 0 HB3 ALA A 24 4.510 -19.218 4.824 1.00 0.00 H new ATOM 309 N GLN A 25 5.450 -16.742 4.137 1.00 0.00 N ATOM 310 CA GLN A 25 6.195 -15.580 4.597 1.00 0.00 C ATOM 311 C GLN A 25 6.080 -14.424 3.605 1.00 0.00 C ATOM 312 O GLN A 25 5.687 -13.315 3.972 1.00 0.00 O ATOM 313 CB GLN A 25 7.655 -15.988 4.765 1.00 0.00 C ATOM 314 CG GLN A 25 8.510 -14.781 5.173 1.00 0.00 C ATOM 315 CD GLN A 25 9.795 -15.244 5.868 1.00 0.00 C ATOM 316 OE1 GLN A 25 10.331 -14.526 6.711 1.00 0.00 O ATOM 317 NE2 GLN A 25 10.326 -16.406 5.569 1.00 0.00 N ATOM 0 H GLN A 25 6.005 -17.594 4.059 1.00 0.00 H new ATOM 0 HA GLN A 25 5.784 -15.237 5.546 1.00 0.00 H new ATOM 0 HB2 GLN A 25 7.735 -16.769 5.521 1.00 0.00 H new ATOM 0 HB3 GLN A 25 8.031 -16.408 3.832 1.00 0.00 H new ATOM 0 HG2 GLN A 25 8.759 -14.190 4.292 1.00 0.00 H new ATOM 0 HG3 GLN A 25 7.941 -14.134 5.841 1.00 0.00 H new ATOM 0 HE21 GLN A 25 9.884 -17.004 4.871 1.00 0.00 H new ATOM 0 HE22 GLN A 25 11.180 -16.711 6.035 1.00 0.00 H new ATOM 326 N VAL A 26 6.425 -14.691 2.351 1.00 0.00 N ATOM 327 CA VAL A 26 6.361 -13.671 1.310 1.00 0.00 C ATOM 328 C VAL A 26 4.953 -13.072 1.237 1.00 0.00 C ATOM 329 O VAL A 26 4.781 -11.864 1.383 1.00 0.00 O ATOM 330 CB VAL A 26 6.776 -14.296 -0.050 1.00 0.00 C ATOM 331 CG1 VAL A 26 6.052 -13.614 -1.222 1.00 0.00 C ATOM 332 CG2 VAL A 26 8.294 -14.146 -0.249 1.00 0.00 C ATOM 0 H VAL A 26 6.751 -15.603 2.030 1.00 0.00 H new ATOM 0 HA VAL A 26 7.053 -12.863 1.548 1.00 0.00 H new ATOM 0 HB VAL A 26 6.498 -15.350 -0.032 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.364 -14.074 -2.160 1.00 0.00 H new ATOM 0 HG12 VAL A 26 4.975 -13.730 -1.101 1.00 0.00 H new ATOM 0 HG13 VAL A 26 6.303 -12.553 -1.237 1.00 0.00 H new ATOM 0 HG21 VAL A 26 8.581 -14.586 -1.204 1.00 0.00 H new ATOM 0 HG22 VAL A 26 8.559 -13.089 -0.242 1.00 0.00 H new ATOM 0 HG23 VAL A 26 8.819 -14.657 0.558 1.00 0.00 H new ATOM 342 N LYS A 27 3.959 -13.922 0.996 1.00 0.00 N ATOM 343 CA LYS A 27 2.571 -13.467 0.891 1.00 0.00 C ATOM 344 C LYS A 27 2.280 -12.336 1.879 1.00 0.00 C ATOM 345 O LYS A 27 1.972 -11.211 1.477 1.00 0.00 O ATOM 346 CB LYS A 27 1.626 -14.642 1.155 1.00 0.00 C ATOM 347 CG LYS A 27 1.516 -15.519 -0.099 1.00 0.00 C ATOM 348 CD LYS A 27 0.933 -16.883 0.277 1.00 0.00 C ATOM 349 CE LYS A 27 -0.426 -16.693 0.953 1.00 0.00 C ATOM 350 NZ LYS A 27 -1.220 -15.683 0.198 1.00 0.00 N ATOM 0 H LYS A 27 4.085 -14.926 0.870 1.00 0.00 H new ATOM 0 HA LYS A 27 2.412 -13.083 -0.117 1.00 0.00 H new ATOM 0 HB2 LYS A 27 1.995 -15.235 1.992 1.00 0.00 H new ATOM 0 HB3 LYS A 27 0.641 -14.271 1.437 1.00 0.00 H new ATOM 0 HG2 LYS A 27 0.882 -15.033 -0.840 1.00 0.00 H new ATOM 0 HG3 LYS A 27 2.498 -15.645 -0.554 1.00 0.00 H new ATOM 0 HD2 LYS A 27 0.824 -17.501 -0.614 1.00 0.00 H new ATOM 0 HD3 LYS A 27 1.613 -17.408 0.947 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.963 -17.641 0.988 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -0.289 -16.367 1.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -2.234 -15.845 0.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -0.965 -14.728 0.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -1.016 -15.770 -0.818 1.00 0.00 H new ATOM 364 N ASP A 28 2.379 -12.637 3.168 1.00 0.00 N ATOM 365 CA ASP A 28 2.124 -11.630 4.190 1.00 0.00 C ATOM 366 C ASP A 28 3.027 -10.419 3.971 1.00 0.00 C ATOM 367 O ASP A 28 2.668 -9.291 4.314 1.00 0.00 O ATOM 368 CB ASP A 28 2.379 -12.216 5.580 1.00 0.00 C ATOM 369 CG ASP A 28 1.439 -13.391 5.830 1.00 0.00 C ATOM 370 OD1 ASP A 28 1.241 -14.171 4.913 1.00 0.00 O ATOM 371 OD2 ASP A 28 0.932 -13.493 6.935 1.00 0.00 O ATOM 0 H ASP A 28 2.631 -13.558 3.527 1.00 0.00 H new ATOM 0 HA ASP A 28 1.082 -11.317 4.119 1.00 0.00 H new ATOM 0 HB2 ASP A 28 3.415 -12.545 5.661 1.00 0.00 H new ATOM 0 HB3 ASP A 28 2.227 -11.450 6.340 1.00 0.00 H new ATOM 376 N ALA A 29 4.201 -10.666 3.398 1.00 0.00 N ATOM 377 CA ALA A 29 5.153 -9.594 3.140 1.00 0.00 C ATOM 378 C ALA A 29 4.672 -8.695 2.002 1.00 0.00 C ATOM 379 O ALA A 29 5.157 -7.575 1.848 1.00 0.00 O ATOM 380 CB ALA A 29 6.530 -10.182 2.798 1.00 0.00 C ATOM 0 H ALA A 29 4.513 -11.592 3.106 1.00 0.00 H new ATOM 0 HA ALA A 29 5.235 -8.988 4.043 1.00 0.00 H new ATOM 0 HB1 ALA A 29 7.234 -9.372 2.607 1.00 0.00 H new ATOM 0 HB2 ALA A 29 6.887 -10.783 3.634 1.00 0.00 H new ATOM 0 HB3 ALA A 29 6.448 -10.808 1.910 1.00 0.00 H new ATOM 386 N LEU A 30 3.712 -9.179 1.211 1.00 0.00 N ATOM 387 CA LEU A 30 3.187 -8.379 0.106 1.00 0.00 C ATOM 388 C LEU A 30 2.080 -7.470 0.616 1.00 0.00 C ATOM 389 O LEU A 30 1.947 -6.321 0.182 1.00 0.00 O ATOM 390 CB LEU A 30 2.641 -9.290 -0.996 1.00 0.00 C ATOM 391 CG LEU A 30 3.730 -10.273 -1.455 1.00 0.00 C ATOM 392 CD1 LEU A 30 3.107 -11.326 -2.374 1.00 0.00 C ATOM 393 CD2 LEU A 30 4.840 -9.526 -2.213 1.00 0.00 C ATOM 0 H LEU A 30 3.290 -10.102 1.312 1.00 0.00 H new ATOM 0 HA LEU A 30 3.994 -7.773 -0.307 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.775 -9.840 -0.628 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.302 -8.690 -1.840 1.00 0.00 H new ATOM 0 HG LEU A 30 4.164 -10.755 -0.579 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.877 -12.025 -2.701 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.331 -11.868 -1.833 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.668 -10.836 -3.243 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.604 -10.235 -2.532 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.415 -9.033 -3.087 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.289 -8.779 -1.558 1.00 0.00 H new ATOM 405 N THR A 31 1.295 -7.985 1.553 1.00 0.00 N ATOM 406 CA THR A 31 0.213 -7.204 2.124 1.00 0.00 C ATOM 407 C THR A 31 0.777 -6.040 2.913 1.00 0.00 C ATOM 408 O THR A 31 0.122 -5.010 3.069 1.00 0.00 O ATOM 409 CB THR A 31 -0.646 -8.075 3.027 1.00 0.00 C ATOM 410 OG1 THR A 31 0.120 -8.506 4.144 1.00 0.00 O ATOM 411 CG2 THR A 31 -1.120 -9.279 2.228 1.00 0.00 C ATOM 0 H THR A 31 1.387 -8.929 1.928 1.00 0.00 H new ATOM 0 HA THR A 31 -0.407 -6.819 1.314 1.00 0.00 H new ATOM 0 HB THR A 31 -1.505 -7.509 3.388 1.00 0.00 H new ATOM 0 HG1 THR A 31 0.999 -8.814 3.839 1.00 0.00 H new ATOM 0 HG21 THR A 31 -1.738 -9.915 2.861 1.00 0.00 H new ATOM 0 HG22 THR A 31 -1.705 -8.941 1.372 1.00 0.00 H new ATOM 0 HG23 THR A 31 -0.257 -9.845 1.877 1.00 0.00 H new ATOM 419 N LYS A 32 2.011 -6.191 3.388 1.00 0.00 N ATOM 420 CA LYS A 32 2.649 -5.114 4.128 1.00 0.00 C ATOM 421 C LYS A 32 2.541 -3.849 3.294 1.00 0.00 C ATOM 422 O LYS A 32 1.862 -2.895 3.674 1.00 0.00 O ATOM 423 CB LYS A 32 4.124 -5.454 4.403 1.00 0.00 C ATOM 424 CG LYS A 32 4.744 -4.466 5.428 1.00 0.00 C ATOM 425 CD LYS A 32 5.464 -3.319 4.702 1.00 0.00 C ATOM 426 CE LYS A 32 6.056 -2.353 5.731 1.00 0.00 C ATOM 427 NZ LYS A 32 6.793 -3.124 6.770 1.00 0.00 N ATOM 0 H LYS A 32 2.577 -7.032 3.275 1.00 0.00 H new ATOM 0 HA LYS A 32 2.157 -4.973 5.091 1.00 0.00 H new ATOM 0 HB2 LYS A 32 4.201 -6.473 4.783 1.00 0.00 H new ATOM 0 HB3 LYS A 32 4.689 -5.418 3.471 1.00 0.00 H new ATOM 0 HG2 LYS A 32 3.962 -4.063 6.072 1.00 0.00 H new ATOM 0 HG3 LYS A 32 5.447 -4.994 6.072 1.00 0.00 H new ATOM 0 HD2 LYS A 32 6.254 -3.717 4.065 1.00 0.00 H new ATOM 0 HD3 LYS A 32 4.766 -2.791 4.052 1.00 0.00 H new ATOM 0 HE2 LYS A 32 6.728 -1.649 5.240 1.00 0.00 H new ATOM 0 HE3 LYS A 32 5.262 -1.766 6.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 7.531 -2.524 7.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 6.131 -3.427 7.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 7.232 -3.960 6.335 1.00 0.00 H new ATOM 441 N MET A 33 3.178 -3.872 2.126 1.00 0.00 N ATOM 442 CA MET A 33 3.115 -2.744 1.215 1.00 0.00 C ATOM 443 C MET A 33 1.659 -2.312 1.054 1.00 0.00 C ATOM 444 O MET A 33 1.277 -1.228 1.485 1.00 0.00 O ATOM 445 CB MET A 33 3.716 -3.153 -0.136 1.00 0.00 C ATOM 446 CG MET A 33 4.824 -4.187 0.098 1.00 0.00 C ATOM 447 SD MET A 33 5.909 -3.624 1.435 1.00 0.00 S ATOM 448 CE MET A 33 7.182 -4.899 1.264 1.00 0.00 C ATOM 0 H MET A 33 3.739 -4.656 1.794 1.00 0.00 H new ATOM 0 HA MET A 33 3.687 -1.904 1.610 1.00 0.00 H new ATOM 0 HB2 MET A 33 2.942 -3.571 -0.780 1.00 0.00 H new ATOM 0 HB3 MET A 33 4.120 -2.279 -0.648 1.00 0.00 H new ATOM 0 HG2 MET A 33 4.386 -5.152 0.353 1.00 0.00 H new ATOM 0 HG3 MET A 33 5.401 -4.330 -0.816 1.00 0.00 H new ATOM 0 HE1 MET A 33 7.613 -5.116 2.241 1.00 0.00 H new ATOM 0 HE2 MET A 33 6.736 -5.805 0.854 1.00 0.00 H new ATOM 0 HE3 MET A 33 7.965 -4.544 0.593 1.00 0.00 H new ATOM 458 N ARG A 34 0.846 -3.180 0.448 1.00 0.00 N ATOM 459 CA ARG A 34 -0.573 -2.883 0.260 1.00 0.00 C ATOM 460 C ARG A 34 -1.159 -2.173 1.479 1.00 0.00 C ATOM 461 O ARG A 34 -1.430 -0.973 1.442 1.00 0.00 O ATOM 462 CB ARG A 34 -1.347 -4.180 0.043 1.00 0.00 C ATOM 463 CG ARG A 34 -2.776 -3.853 -0.386 1.00 0.00 C ATOM 464 CD ARG A 34 -3.533 -5.156 -0.654 1.00 0.00 C ATOM 465 NE ARG A 34 -4.964 -4.897 -0.759 1.00 0.00 N ATOM 466 CZ ARG A 34 -5.824 -5.876 -1.017 1.00 0.00 C ATOM 467 NH1 ARG A 34 -5.395 -7.100 -1.171 1.00 0.00 N ATOM 468 NH2 ARG A 34 -7.099 -5.615 -1.113 1.00 0.00 N ATOM 0 H ARG A 34 1.143 -4.085 0.083 1.00 0.00 H new ATOM 0 HA ARG A 34 -0.661 -2.231 -0.609 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -0.857 -4.786 -0.719 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -1.357 -4.768 0.961 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -3.280 -3.280 0.392 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -2.766 -3.233 -1.283 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -3.171 -5.612 -1.575 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -3.343 -5.867 0.150 1.00 0.00 H new ATOM 0 HE ARG A 34 -5.311 -3.946 -0.632 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -4.399 -7.305 -1.093 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -6.056 -7.851 -1.369 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -7.435 -4.660 -0.990 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -7.760 -6.366 -1.311 1.00 0.00 H new ATOM 482 N ALA A 35 -1.365 -2.932 2.553 1.00 0.00 N ATOM 483 CA ALA A 35 -1.936 -2.374 3.776 1.00 0.00 C ATOM 484 C ALA A 35 -1.264 -1.055 4.153 1.00 0.00 C ATOM 485 O ALA A 35 -1.878 -0.194 4.781 1.00 0.00 O ATOM 486 CB ALA A 35 -1.779 -3.373 4.924 1.00 0.00 C ATOM 0 H ALA A 35 -1.147 -3.927 2.602 1.00 0.00 H new ATOM 0 HA ALA A 35 -2.993 -2.180 3.595 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -2.207 -2.952 5.834 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -2.297 -4.299 4.674 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.721 -3.581 5.083 1.00 0.00 H new ATOM 492 N ALA A 36 -0.003 -0.899 3.762 1.00 0.00 N ATOM 493 CA ALA A 36 0.740 0.322 4.070 1.00 0.00 C ATOM 494 C ALA A 36 0.428 1.398 3.045 1.00 0.00 C ATOM 495 O ALA A 36 0.476 2.589 3.346 1.00 0.00 O ATOM 496 CB ALA A 36 2.245 0.041 4.079 1.00 0.00 C ATOM 0 H ALA A 36 0.524 -1.596 3.235 1.00 0.00 H new ATOM 0 HA ALA A 36 0.438 0.670 5.058 1.00 0.00 H new ATOM 0 HB1 ALA A 36 2.785 0.959 4.310 1.00 0.00 H new ATOM 0 HB2 ALA A 36 2.470 -0.712 4.834 1.00 0.00 H new ATOM 0 HB3 ALA A 36 2.553 -0.325 3.099 1.00 0.00 H new ATOM 502 N ALA A 37 0.095 0.970 1.835 1.00 0.00 N ATOM 503 CA ALA A 37 -0.239 1.908 0.778 1.00 0.00 C ATOM 504 C ALA A 37 -1.541 2.609 1.121 1.00 0.00 C ATOM 505 O ALA A 37 -1.656 3.828 0.992 1.00 0.00 O ATOM 506 CB ALA A 37 -0.382 1.172 -0.556 1.00 0.00 C ATOM 0 H ALA A 37 0.050 -0.012 1.565 1.00 0.00 H new ATOM 0 HA ALA A 37 0.559 2.644 0.687 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -0.633 1.886 -1.340 1.00 0.00 H new ATOM 0 HB2 ALA A 37 0.558 0.678 -0.802 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -1.174 0.427 -0.477 1.00 0.00 H new ATOM 512 N LEU A 38 -2.517 1.831 1.576 1.00 0.00 N ATOM 513 CA LEU A 38 -3.810 2.398 1.948 1.00 0.00 C ATOM 514 C LEU A 38 -3.660 3.270 3.189 1.00 0.00 C ATOM 515 O LEU A 38 -4.142 4.406 3.237 1.00 0.00 O ATOM 516 CB LEU A 38 -4.817 1.278 2.224 1.00 0.00 C ATOM 517 CG LEU A 38 -4.931 0.364 0.996 1.00 0.00 C ATOM 518 CD1 LEU A 38 -5.621 -0.942 1.398 1.00 0.00 C ATOM 519 CD2 LEU A 38 -5.752 1.050 -0.107 1.00 0.00 C ATOM 0 H LEU A 38 -2.441 0.821 1.695 1.00 0.00 H new ATOM 0 HA LEU A 38 -4.174 3.009 1.122 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.501 0.699 3.091 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -5.791 1.704 2.463 1.00 0.00 H new ATOM 0 HG LEU A 38 -3.930 0.157 0.617 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -5.703 -1.593 0.528 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.035 -1.441 2.170 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -6.617 -0.724 1.783 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -5.824 0.390 -0.971 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -6.752 1.269 0.267 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -5.263 1.979 -0.400 1.00 0.00 H new ATOM 531 N ASP A 39 -2.983 2.728 4.192 1.00 0.00 N ATOM 532 CA ASP A 39 -2.764 3.450 5.434 1.00 0.00 C ATOM 533 C ASP A 39 -2.035 4.767 5.167 1.00 0.00 C ATOM 534 O ASP A 39 -2.489 5.835 5.573 1.00 0.00 O ATOM 535 CB ASP A 39 -1.940 2.585 6.389 1.00 0.00 C ATOM 536 CG ASP A 39 -1.606 3.364 7.654 1.00 0.00 C ATOM 537 OD1 ASP A 39 -2.418 3.358 8.564 1.00 0.00 O ATOM 538 OD2 ASP A 39 -0.539 3.953 7.696 1.00 0.00 O ATOM 0 H ASP A 39 -2.577 1.792 4.169 1.00 0.00 H new ATOM 0 HA ASP A 39 -3.730 3.674 5.886 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -2.496 1.683 6.645 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -1.021 2.264 5.898 1.00 0.00 H new ATOM 543 N ALA A 40 -0.906 4.680 4.478 1.00 0.00 N ATOM 544 CA ALA A 40 -0.121 5.869 4.164 1.00 0.00 C ATOM 545 C ALA A 40 -0.953 6.875 3.373 1.00 0.00 C ATOM 546 O ALA A 40 -1.020 8.055 3.721 1.00 0.00 O ATOM 547 CB ALA A 40 1.111 5.469 3.348 1.00 0.00 C ATOM 0 H ALA A 40 -0.514 3.806 4.127 1.00 0.00 H new ATOM 0 HA ALA A 40 0.190 6.335 5.099 1.00 0.00 H new ATOM 0 HB1 ALA A 40 1.697 6.358 3.114 1.00 0.00 H new ATOM 0 HB2 ALA A 40 1.721 4.775 3.926 1.00 0.00 H new ATOM 0 HB3 ALA A 40 0.794 4.989 2.422 1.00 0.00 H new ATOM 553 N GLN A 41 -1.587 6.393 2.312 1.00 0.00 N ATOM 554 CA GLN A 41 -2.413 7.222 1.458 1.00 0.00 C ATOM 555 C GLN A 41 -3.221 8.229 2.274 1.00 0.00 C ATOM 556 O GLN A 41 -3.218 9.421 1.968 1.00 0.00 O ATOM 557 CB GLN A 41 -3.319 6.271 0.652 1.00 0.00 C ATOM 558 CG GLN A 41 -4.701 6.867 0.361 1.00 0.00 C ATOM 559 CD GLN A 41 -5.466 5.898 -0.528 1.00 0.00 C ATOM 560 OE1 GLN A 41 -4.850 4.837 -0.983 1.00 0.00 O flip ATOM 561 NE2 GLN A 41 -6.649 6.098 -0.805 1.00 0.00 N flip ATOM 0 H GLN A 41 -1.540 5.416 2.023 1.00 0.00 H new ATOM 0 HA GLN A 41 -1.799 7.818 0.783 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -2.830 6.023 -0.290 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -3.440 5.338 1.203 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -5.244 7.037 1.291 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -4.601 7.834 -0.131 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -7.123 6.927 -0.447 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -7.154 5.435 -1.392 1.00 0.00 H new ATOM 570 N LYS A 42 -3.911 7.750 3.308 1.00 0.00 N ATOM 571 CA LYS A 42 -4.727 8.653 4.134 1.00 0.00 C ATOM 572 C LYS A 42 -4.967 8.094 5.534 1.00 0.00 C ATOM 573 O LYS A 42 -6.106 7.833 5.920 1.00 0.00 O ATOM 574 CB LYS A 42 -6.089 8.903 3.459 1.00 0.00 C ATOM 575 CG LYS A 42 -5.928 9.846 2.250 1.00 0.00 C ATOM 576 CD LYS A 42 -7.302 10.354 1.774 1.00 0.00 C ATOM 577 CE LYS A 42 -7.960 9.319 0.854 1.00 0.00 C ATOM 578 NZ LYS A 42 -9.412 9.625 0.721 1.00 0.00 N ATOM 0 H LYS A 42 -3.926 6.771 3.593 1.00 0.00 H new ATOM 0 HA LYS A 42 -4.172 9.586 4.228 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -6.520 7.956 3.134 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -6.783 9.339 4.178 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -5.296 10.691 2.522 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -5.426 9.322 1.437 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -7.944 10.547 2.633 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -7.185 11.299 1.244 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -7.483 9.333 -0.126 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -7.824 8.317 1.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -9.859 8.923 0.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -9.861 9.591 1.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -9.531 10.575 0.315 1.00 0.00 H new ATOM 592 N ALA A 43 -3.896 7.930 6.292 1.00 0.00 N ATOM 593 CA ALA A 43 -4.010 7.421 7.659 1.00 0.00 C ATOM 594 C ALA A 43 -2.772 7.800 8.463 1.00 0.00 C ATOM 595 O ALA A 43 -2.866 8.420 9.523 1.00 0.00 O ATOM 596 CB ALA A 43 -4.192 5.893 7.645 1.00 0.00 C ATOM 0 H ALA A 43 -2.943 8.138 5.993 1.00 0.00 H new ATOM 0 HA ALA A 43 -4.884 7.870 8.130 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -4.276 5.527 8.668 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -5.098 5.639 7.094 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.332 5.429 7.163 1.00 0.00 H new ATOM 602 N THR A 44 -1.608 7.417 7.942 1.00 0.00 N ATOM 603 CA THR A 44 -0.334 7.704 8.592 1.00 0.00 C ATOM 604 C THR A 44 0.446 8.760 7.805 1.00 0.00 C ATOM 605 O THR A 44 1.371 8.417 7.070 1.00 0.00 O ATOM 606 CB THR A 44 0.485 6.411 8.663 1.00 0.00 C ATOM 607 OG1 THR A 44 -0.199 5.469 9.479 1.00 0.00 O ATOM 608 CG2 THR A 44 1.870 6.685 9.258 1.00 0.00 C ATOM 0 H THR A 44 -1.523 6.903 7.065 1.00 0.00 H new ATOM 0 HA THR A 44 -0.521 8.089 9.594 1.00 0.00 H new ATOM 0 HB THR A 44 0.608 6.015 7.655 1.00 0.00 H new ATOM 0 HG1 THR A 44 -0.128 4.577 9.079 1.00 0.00 H new ATOM 0 HG21 THR A 44 2.438 5.756 9.301 1.00 0.00 H new ATOM 0 HG22 THR A 44 2.399 7.405 8.633 1.00 0.00 H new ATOM 0 HG23 THR A 44 1.760 7.090 10.264 1.00 0.00 H new ATOM 616 N PRO A 45 0.102 10.028 7.933 1.00 0.00 N ATOM 617 CA PRO A 45 0.805 11.126 7.208 1.00 0.00 C ATOM 618 C PRO A 45 2.302 10.834 7.038 1.00 0.00 C ATOM 619 O PRO A 45 3.084 11.040 7.966 1.00 0.00 O ATOM 620 CB PRO A 45 0.568 12.322 8.121 1.00 0.00 C ATOM 621 CG PRO A 45 -0.808 12.098 8.666 1.00 0.00 C ATOM 622 CD PRO A 45 -0.987 10.570 8.775 1.00 0.00 C ATOM 0 HA PRO A 45 0.441 11.273 6.191 1.00 0.00 H new ATOM 0 HB2 PRO A 45 1.310 12.368 8.918 1.00 0.00 H new ATOM 0 HB3 PRO A 45 0.631 13.261 7.572 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -0.922 12.573 9.640 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -1.562 12.532 8.009 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -0.902 10.230 9.807 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -1.966 10.255 8.415 1.00 0.00 H new ATOM 630 N PRO A 46 2.710 10.338 5.892 1.00 0.00 N ATOM 631 CA PRO A 46 4.134 9.987 5.627 1.00 0.00 C ATOM 632 C PRO A 46 4.954 11.174 5.121 1.00 0.00 C ATOM 633 O PRO A 46 5.370 12.032 5.901 1.00 0.00 O ATOM 634 CB PRO A 46 4.001 8.904 4.556 1.00 0.00 C ATOM 635 CG PRO A 46 2.824 9.340 3.740 1.00 0.00 C ATOM 636 CD PRO A 46 1.867 10.051 4.711 1.00 0.00 C ATOM 0 HA PRO A 46 4.666 9.668 6.524 1.00 0.00 H new ATOM 0 HB2 PRO A 46 4.903 8.832 3.948 1.00 0.00 H new ATOM 0 HB3 PRO A 46 3.836 7.922 5.000 1.00 0.00 H new ATOM 0 HG2 PRO A 46 3.133 10.010 2.938 1.00 0.00 H new ATOM 0 HG3 PRO A 46 2.338 8.485 3.271 1.00 0.00 H new ATOM 0 HD2 PRO A 46 1.463 10.965 4.276 1.00 0.00 H new ATOM 0 HD3 PRO A 46 1.018 9.419 4.970 1.00 0.00 H new ATOM 644 N LYS A 47 5.189 11.208 3.815 1.00 0.00 N ATOM 645 CA LYS A 47 5.964 12.280 3.208 1.00 0.00 C ATOM 646 C LYS A 47 5.113 13.533 3.051 1.00 0.00 C ATOM 647 O LYS A 47 5.637 14.631 2.865 1.00 0.00 O ATOM 648 CB LYS A 47 6.471 11.827 1.834 1.00 0.00 C ATOM 649 CG LYS A 47 7.368 10.583 1.990 1.00 0.00 C ATOM 650 CD LYS A 47 7.336 9.747 0.706 1.00 0.00 C ATOM 651 CE LYS A 47 7.876 10.572 -0.464 1.00 0.00 C ATOM 652 NZ LYS A 47 7.887 9.732 -1.694 1.00 0.00 N ATOM 0 H LYS A 47 4.853 10.505 3.157 1.00 0.00 H new ATOM 0 HA LYS A 47 6.810 12.513 3.855 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.627 11.599 1.183 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.031 12.633 1.359 1.00 0.00 H new ATOM 0 HG2 LYS A 47 8.391 10.888 2.209 1.00 0.00 H new ATOM 0 HG3 LYS A 47 7.027 9.982 2.833 1.00 0.00 H new ATOM 0 HD2 LYS A 47 7.935 8.845 0.834 1.00 0.00 H new ATOM 0 HD3 LYS A 47 6.316 9.426 0.496 1.00 0.00 H new ATOM 0 HE2 LYS A 47 7.256 11.455 -0.618 1.00 0.00 H new ATOM 0 HE3 LYS A 47 8.883 10.925 -0.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 8.745 9.935 -2.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 7.876 8.727 -1.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 7.048 9.947 -2.269 1.00 0.00 H new ATOM 666 N LEU A 48 3.797 13.362 3.126 1.00 0.00 N ATOM 667 CA LEU A 48 2.885 14.495 2.990 1.00 0.00 C ATOM 668 C LEU A 48 2.837 15.303 4.283 1.00 0.00 C ATOM 669 O LEU A 48 1.877 16.031 4.535 1.00 0.00 O ATOM 670 CB LEU A 48 1.471 14.009 2.634 1.00 0.00 C ATOM 671 CG LEU A 48 1.548 12.832 1.651 1.00 0.00 C ATOM 672 CD1 LEU A 48 0.138 12.306 1.370 1.00 0.00 C ATOM 673 CD2 LEU A 48 2.196 13.296 0.341 1.00 0.00 C ATOM 0 H LEU A 48 3.341 12.462 3.278 1.00 0.00 H new ATOM 0 HA LEU A 48 3.256 15.132 2.187 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.945 13.703 3.538 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.898 14.825 2.192 1.00 0.00 H new ATOM 0 HG LEU A 48 2.150 12.035 2.088 1.00 0.00 H new ATOM 0 HD11 LEU A 48 0.194 11.471 0.672 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -0.318 11.971 2.302 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.467 13.102 0.936 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.250 12.459 -0.355 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.598 14.095 -0.098 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.202 13.665 0.543 1.00 0.00 H new ATOM 685 N GLU A 49 3.877 15.172 5.100 1.00 0.00 N ATOM 686 CA GLU A 49 3.933 15.902 6.361 1.00 0.00 C ATOM 687 C GLU A 49 3.592 17.370 6.134 1.00 0.00 C ATOM 688 O GLU A 49 3.123 18.057 7.041 1.00 0.00 O ATOM 689 CB GLU A 49 5.331 15.787 6.973 1.00 0.00 C ATOM 690 CG GLU A 49 5.289 16.249 8.431 1.00 0.00 C ATOM 691 CD GLU A 49 4.548 15.223 9.281 1.00 0.00 C ATOM 692 OE1 GLU A 49 5.108 14.165 9.519 1.00 0.00 O ATOM 693 OE2 GLU A 49 3.432 15.510 9.682 1.00 0.00 O ATOM 0 H GLU A 49 4.683 14.575 4.915 1.00 0.00 H new ATOM 0 HA GLU A 49 3.205 15.469 7.047 1.00 0.00 H new ATOM 0 HB2 GLU A 49 5.680 14.756 6.917 1.00 0.00 H new ATOM 0 HB3 GLU A 49 6.038 16.394 6.408 1.00 0.00 H new ATOM 0 HG2 GLU A 49 6.303 16.382 8.808 1.00 0.00 H new ATOM 0 HG3 GLU A 49 4.793 17.217 8.500 1.00 0.00 H new ATOM 700 N ASP A 50 3.834 17.843 4.915 1.00 0.00 N ATOM 701 CA ASP A 50 3.551 19.232 4.572 1.00 0.00 C ATOM 702 C ASP A 50 3.416 19.392 3.060 1.00 0.00 C ATOM 703 O ASP A 50 3.936 20.345 2.479 1.00 0.00 O ATOM 704 CB ASP A 50 4.676 20.134 5.083 1.00 0.00 C ATOM 705 CG ASP A 50 6.018 19.648 4.545 1.00 0.00 C ATOM 706 OD1 ASP A 50 6.032 19.088 3.461 1.00 0.00 O ATOM 707 OD2 ASP A 50 7.012 19.842 5.226 1.00 0.00 O ATOM 0 H ASP A 50 4.223 17.288 4.153 1.00 0.00 H new ATOM 0 HA ASP A 50 2.611 19.520 5.043 1.00 0.00 H new ATOM 0 HB2 ASP A 50 4.500 21.163 4.769 1.00 0.00 H new ATOM 0 HB3 ASP A 50 4.689 20.131 6.173 1.00 0.00 H new ATOM 712 N LYS A 51 2.708 18.455 2.425 1.00 0.00 N ATOM 713 CA LYS A 51 2.502 18.499 0.975 1.00 0.00 C ATOM 714 C LYS A 51 1.069 18.096 0.644 1.00 0.00 C ATOM 715 O LYS A 51 0.845 17.234 -0.195 1.00 0.00 O ATOM 716 CB LYS A 51 3.476 17.546 0.261 1.00 0.00 C ATOM 717 CG LYS A 51 4.862 17.606 0.923 1.00 0.00 C ATOM 718 CD LYS A 51 5.937 17.141 -0.068 1.00 0.00 C ATOM 719 CE LYS A 51 5.570 15.766 -0.633 1.00 0.00 C ATOM 720 NZ LYS A 51 5.242 14.839 0.486 1.00 0.00 N ATOM 0 H LYS A 51 2.269 17.660 2.889 1.00 0.00 H new ATOM 0 HA LYS A 51 2.687 19.517 0.631 1.00 0.00 H new ATOM 0 HB2 LYS A 51 3.091 16.527 0.298 1.00 0.00 H new ATOM 0 HB3 LYS A 51 3.556 17.818 -0.791 1.00 0.00 H new ATOM 0 HG2 LYS A 51 5.074 18.624 1.251 1.00 0.00 H new ATOM 0 HG3 LYS A 51 4.877 16.975 1.812 1.00 0.00 H new ATOM 0 HD2 LYS A 51 6.032 17.863 -0.879 1.00 0.00 H new ATOM 0 HD3 LYS A 51 6.905 17.092 0.430 1.00 0.00 H new ATOM 0 HE2 LYS A 51 4.718 15.854 -1.308 1.00 0.00 H new ATOM 0 HE3 LYS A 51 6.400 15.368 -1.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 5.471 13.864 0.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 5.798 15.098 1.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 4.228 14.907 0.707 1.00 0.00 H new ATOM 734 N SER A 52 0.115 18.718 1.325 1.00 0.00 N ATOM 735 CA SER A 52 -1.302 18.418 1.120 1.00 0.00 C ATOM 736 C SER A 52 -1.653 18.347 -0.376 1.00 0.00 C ATOM 737 O SER A 52 -0.785 18.523 -1.228 1.00 0.00 O ATOM 738 CB SER A 52 -2.150 19.485 1.837 1.00 0.00 C ATOM 739 OG SER A 52 -3.162 18.847 2.605 1.00 0.00 O ATOM 0 H SER A 52 0.295 19.436 2.027 1.00 0.00 H new ATOM 0 HA SER A 52 -1.521 17.437 1.542 1.00 0.00 H new ATOM 0 HB2 SER A 52 -1.518 20.094 2.483 1.00 0.00 H new ATOM 0 HB3 SER A 52 -2.601 20.157 1.107 1.00 0.00 H new ATOM 0 HG SER A 52 -3.701 19.525 3.063 1.00 0.00 H new ATOM 745 N PRO A 53 -2.904 18.078 -0.705 1.00 0.00 N ATOM 746 CA PRO A 53 -3.365 17.964 -2.131 1.00 0.00 C ATOM 747 C PRO A 53 -3.134 19.241 -2.952 1.00 0.00 C ATOM 748 O PRO A 53 -3.951 19.596 -3.802 1.00 0.00 O ATOM 749 CB PRO A 53 -4.871 17.650 -2.014 1.00 0.00 C ATOM 750 CG PRO A 53 -5.063 17.137 -0.623 1.00 0.00 C ATOM 751 CD PRO A 53 -4.016 17.842 0.235 1.00 0.00 C ATOM 0 HA PRO A 53 -2.801 17.199 -2.664 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -5.473 18.541 -2.191 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -5.176 16.908 -2.752 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -6.070 17.351 -0.264 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -4.934 16.055 -0.585 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -4.398 18.776 0.648 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -3.705 17.224 1.078 1.00 0.00 H new ATOM 759 N ASP A 54 -2.031 19.926 -2.684 1.00 0.00 N ATOM 760 CA ASP A 54 -1.698 21.168 -3.388 1.00 0.00 C ATOM 761 C ASP A 54 -0.594 20.927 -4.411 1.00 0.00 C ATOM 762 O ASP A 54 -0.775 21.143 -5.610 1.00 0.00 O ATOM 763 CB ASP A 54 -1.217 22.210 -2.376 1.00 0.00 C ATOM 764 CG ASP A 54 -0.914 23.526 -3.086 1.00 0.00 C ATOM 765 OD1 ASP A 54 -1.697 23.909 -3.940 1.00 0.00 O ATOM 766 OD2 ASP A 54 0.096 24.129 -2.766 1.00 0.00 O ATOM 0 H ASP A 54 -1.346 19.646 -1.982 1.00 0.00 H new ATOM 0 HA ASP A 54 -2.589 21.524 -3.905 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -1.979 22.366 -1.612 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -0.324 21.849 -1.866 1.00 0.00 H new ATOM 771 N SER A 55 0.553 20.477 -3.914 1.00 0.00 N ATOM 772 CA SER A 55 1.708 20.198 -4.758 1.00 0.00 C ATOM 773 C SER A 55 1.498 18.876 -5.499 1.00 0.00 C ATOM 774 O SER A 55 0.411 18.305 -5.421 1.00 0.00 O ATOM 775 CB SER A 55 2.959 20.148 -3.858 1.00 0.00 C ATOM 776 OG SER A 55 2.663 20.802 -2.630 1.00 0.00 O ATOM 0 H SER A 55 0.708 20.297 -2.922 1.00 0.00 H new ATOM 0 HA SER A 55 1.839 20.978 -5.508 1.00 0.00 H new ATOM 0 HB2 SER A 55 3.252 19.114 -3.675 1.00 0.00 H new ATOM 0 HB3 SER A 55 3.800 20.634 -4.352 1.00 0.00 H new ATOM 0 HG SER A 55 3.450 20.776 -2.047 1.00 0.00 H new ATOM 782 N PRO A 56 2.495 18.381 -6.204 1.00 0.00 N ATOM 783 CA PRO A 56 2.395 17.082 -6.948 1.00 0.00 C ATOM 784 C PRO A 56 2.070 15.914 -6.008 1.00 0.00 C ATOM 785 O PRO A 56 2.607 14.818 -6.140 1.00 0.00 O ATOM 786 CB PRO A 56 3.791 16.920 -7.586 1.00 0.00 C ATOM 787 CG PRO A 56 4.353 18.302 -7.636 1.00 0.00 C ATOM 788 CD PRO A 56 3.818 19.004 -6.394 1.00 0.00 C ATOM 0 HA PRO A 56 1.591 17.083 -7.684 1.00 0.00 H new ATOM 0 HB2 PRO A 56 4.422 16.258 -6.993 1.00 0.00 H new ATOM 0 HB3 PRO A 56 3.722 16.485 -8.583 1.00 0.00 H new ATOM 0 HG2 PRO A 56 5.443 18.283 -7.637 1.00 0.00 H new ATOM 0 HG3 PRO A 56 4.042 18.819 -8.544 1.00 0.00 H new ATOM 0 HD2 PRO A 56 4.466 18.847 -5.531 1.00 0.00 H new ATOM 0 HD3 PRO A 56 3.739 20.081 -6.542 1.00 0.00 H new ATOM 796 N GLU A 57 1.180 16.162 -5.062 1.00 0.00 N ATOM 797 CA GLU A 57 0.781 15.140 -4.108 1.00 0.00 C ATOM 798 C GLU A 57 -0.166 14.159 -4.773 1.00 0.00 C ATOM 799 O GLU A 57 0.207 13.036 -5.075 1.00 0.00 O ATOM 800 CB GLU A 57 0.096 15.790 -2.896 1.00 0.00 C ATOM 801 CG GLU A 57 -0.587 14.715 -2.029 1.00 0.00 C ATOM 802 CD GLU A 57 -1.072 15.316 -0.715 1.00 0.00 C ATOM 803 OE1 GLU A 57 -2.194 15.788 -0.685 1.00 0.00 O ATOM 804 OE2 GLU A 57 -0.321 15.282 0.244 1.00 0.00 O ATOM 0 H GLU A 57 0.719 17.063 -4.934 1.00 0.00 H new ATOM 0 HA GLU A 57 1.668 14.606 -3.767 1.00 0.00 H new ATOM 0 HB2 GLU A 57 0.831 16.333 -2.302 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -0.642 16.518 -3.234 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -1.429 14.284 -2.571 1.00 0.00 H new ATOM 0 HG3 GLU A 57 0.112 13.903 -1.828 1.00 0.00 H new ATOM 811 N MET A 58 -1.395 14.601 -4.981 1.00 0.00 N ATOM 812 CA MET A 58 -2.408 13.760 -5.599 1.00 0.00 C ATOM 813 C MET A 58 -1.855 13.039 -6.824 1.00 0.00 C ATOM 814 O MET A 58 -2.226 11.908 -7.098 1.00 0.00 O ATOM 815 CB MET A 58 -3.612 14.601 -6.014 1.00 0.00 C ATOM 816 CG MET A 58 -4.021 15.544 -4.873 1.00 0.00 C ATOM 817 SD MET A 58 -5.533 16.422 -5.343 1.00 0.00 S ATOM 818 CE MET A 58 -6.712 15.207 -4.705 1.00 0.00 C ATOM 0 H MET A 58 -1.716 15.537 -4.731 1.00 0.00 H new ATOM 0 HA MET A 58 -2.714 13.017 -4.863 1.00 0.00 H new ATOM 0 HB2 MET A 58 -3.370 15.180 -6.905 1.00 0.00 H new ATOM 0 HB3 MET A 58 -4.447 13.950 -6.274 1.00 0.00 H new ATOM 0 HG2 MET A 58 -4.185 14.977 -3.957 1.00 0.00 H new ATOM 0 HG3 MET A 58 -3.221 16.256 -4.668 1.00 0.00 H new ATOM 0 HE1 MET A 58 -7.693 15.387 -5.144 1.00 0.00 H new ATOM 0 HE2 MET A 58 -6.377 14.203 -4.965 1.00 0.00 H new ATOM 0 HE3 MET A 58 -6.777 15.298 -3.621 1.00 0.00 H new ATOM 828 N LYS A 59 -0.965 13.677 -7.570 1.00 0.00 N ATOM 829 CA LYS A 59 -0.425 13.011 -8.749 1.00 0.00 C ATOM 830 C LYS A 59 0.527 11.902 -8.318 1.00 0.00 C ATOM 831 O LYS A 59 0.677 10.885 -9.004 1.00 0.00 O ATOM 832 CB LYS A 59 0.253 14.032 -9.687 1.00 0.00 C ATOM 833 CG LYS A 59 1.675 14.394 -9.212 1.00 0.00 C ATOM 834 CD LYS A 59 2.730 13.515 -9.914 1.00 0.00 C ATOM 835 CE LYS A 59 3.100 14.125 -11.272 1.00 0.00 C ATOM 836 NZ LYS A 59 4.060 13.228 -11.974 1.00 0.00 N ATOM 0 H LYS A 59 -0.612 14.617 -7.392 1.00 0.00 H new ATOM 0 HA LYS A 59 -1.237 12.554 -9.315 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.301 13.622 -10.696 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -0.354 14.936 -9.739 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.875 15.445 -9.419 1.00 0.00 H new ATOM 0 HG3 LYS A 59 1.747 14.263 -8.132 1.00 0.00 H new ATOM 0 HD2 LYS A 59 3.619 13.431 -9.289 1.00 0.00 H new ATOM 0 HD3 LYS A 59 2.341 12.506 -10.053 1.00 0.00 H new ATOM 0 HE2 LYS A 59 2.204 14.262 -11.878 1.00 0.00 H new ATOM 0 HE3 LYS A 59 3.543 15.111 -11.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 4.311 13.641 -12.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 4.919 13.119 -11.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 3.621 12.297 -12.121 1.00 0.00 H new ATOM 850 N ASP A 60 1.133 12.086 -7.149 1.00 0.00 N ATOM 851 CA ASP A 60 2.047 11.096 -6.596 1.00 0.00 C ATOM 852 C ASP A 60 1.278 10.044 -5.804 1.00 0.00 C ATOM 853 O ASP A 60 1.594 8.859 -5.864 1.00 0.00 O ATOM 854 CB ASP A 60 3.055 11.788 -5.688 1.00 0.00 C ATOM 855 CG ASP A 60 4.120 10.796 -5.249 1.00 0.00 C ATOM 856 OD1 ASP A 60 3.836 9.609 -5.256 1.00 0.00 O ATOM 857 OD2 ASP A 60 5.201 11.237 -4.913 1.00 0.00 O ATOM 0 H ASP A 60 1.006 12.914 -6.566 1.00 0.00 H new ATOM 0 HA ASP A 60 2.570 10.602 -7.415 1.00 0.00 H new ATOM 0 HB2 ASP A 60 3.518 12.623 -6.213 1.00 0.00 H new ATOM 0 HB3 ASP A 60 2.549 12.201 -4.816 1.00 0.00 H new ATOM 862 N PHE A 61 0.253 10.480 -5.079 1.00 0.00 N ATOM 863 CA PHE A 61 -0.565 9.556 -4.307 1.00 0.00 C ATOM 864 C PHE A 61 -1.419 8.754 -5.275 1.00 0.00 C ATOM 865 O PHE A 61 -1.252 7.543 -5.410 1.00 0.00 O ATOM 866 CB PHE A 61 -1.463 10.321 -3.291 1.00 0.00 C ATOM 867 CG PHE A 61 -2.760 9.562 -3.029 1.00 0.00 C ATOM 868 CD1 PHE A 61 -2.747 8.167 -2.880 1.00 0.00 C ATOM 869 CD2 PHE A 61 -3.976 10.254 -2.970 1.00 0.00 C ATOM 870 CE1 PHE A 61 -3.944 7.474 -2.673 1.00 0.00 C ATOM 871 CE2 PHE A 61 -5.172 9.560 -2.767 1.00 0.00 C ATOM 872 CZ PHE A 61 -5.158 8.170 -2.620 1.00 0.00 C ATOM 0 H PHE A 61 -0.028 11.458 -5.011 1.00 0.00 H new ATOM 0 HA PHE A 61 0.078 8.889 -3.733 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -0.923 10.459 -2.354 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -1.690 11.315 -3.677 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -1.812 7.628 -2.925 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -3.990 11.328 -3.082 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -3.932 6.401 -2.554 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -6.107 10.098 -2.724 1.00 0.00 H new ATOM 0 HZ PHE A 61 -6.082 7.633 -2.466 1.00 0.00 H new ATOM 882 N ARG A 62 -2.342 9.439 -5.939 1.00 0.00 N ATOM 883 CA ARG A 62 -3.228 8.777 -6.884 1.00 0.00 C ATOM 884 C ARG A 62 -2.439 7.782 -7.731 1.00 0.00 C ATOM 885 O ARG A 62 -2.872 6.656 -7.934 1.00 0.00 O ATOM 886 CB ARG A 62 -3.928 9.805 -7.785 1.00 0.00 C ATOM 887 CG ARG A 62 -4.612 10.895 -6.929 1.00 0.00 C ATOM 888 CD ARG A 62 -6.016 10.458 -6.522 1.00 0.00 C ATOM 889 NE ARG A 62 -6.947 10.643 -7.630 1.00 0.00 N ATOM 890 CZ ARG A 62 -7.335 11.857 -8.004 1.00 0.00 C ATOM 891 NH1 ARG A 62 -6.886 12.907 -7.375 1.00 0.00 N ATOM 892 NH2 ARG A 62 -8.165 11.999 -9.001 1.00 0.00 N ATOM 0 H ARG A 62 -2.495 10.443 -5.841 1.00 0.00 H new ATOM 0 HA ARG A 62 -3.992 8.238 -6.323 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -3.202 10.263 -8.457 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -4.669 9.306 -8.409 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -4.015 11.093 -6.039 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -4.665 11.827 -7.492 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -6.004 9.411 -6.219 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -6.348 11.036 -5.659 1.00 0.00 H new ATOM 0 HE ARG A 62 -7.306 9.827 -8.125 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -6.237 12.796 -6.596 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -7.184 13.839 -7.662 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -8.516 11.178 -9.493 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -8.463 12.931 -9.288 1.00 0.00 H new ATOM 906 N HIS A 63 -1.263 8.180 -8.210 1.00 0.00 N ATOM 907 CA HIS A 63 -0.462 7.258 -9.010 1.00 0.00 C ATOM 908 C HIS A 63 0.304 6.297 -8.116 1.00 0.00 C ATOM 909 O HIS A 63 0.173 5.085 -8.239 1.00 0.00 O ATOM 910 CB HIS A 63 0.527 8.026 -9.880 1.00 0.00 C ATOM 911 CG HIS A 63 1.064 7.126 -10.960 1.00 0.00 C ATOM 912 ND1 HIS A 63 0.369 6.013 -11.410 1.00 0.00 N ATOM 913 CD2 HIS A 63 2.227 7.161 -11.688 1.00 0.00 C ATOM 914 CE1 HIS A 63 1.115 5.430 -12.367 1.00 0.00 C ATOM 915 NE2 HIS A 63 2.258 6.090 -12.574 1.00 0.00 N ATOM 0 H HIS A 63 -0.854 9.103 -8.065 1.00 0.00 H new ATOM 0 HA HIS A 63 -1.142 6.692 -9.647 1.00 0.00 H new ATOM 0 HB2 HIS A 63 0.037 8.892 -10.326 1.00 0.00 H new ATOM 0 HB3 HIS A 63 1.346 8.404 -9.268 1.00 0.00 H new ATOM 0 HD2 HIS A 63 3.001 7.908 -11.588 1.00 0.00 H new ATOM 0 HE1 HIS A 63 0.825 4.538 -12.902 1.00 0.00 H new ATOM 0 HE2 HIS A 63 2.995 5.858 -13.239 1.00 0.00 H new ATOM 924 N GLY A 64 1.115 6.848 -7.225 1.00 0.00 N ATOM 925 CA GLY A 64 1.913 6.029 -6.320 1.00 0.00 C ATOM 926 C GLY A 64 1.117 4.842 -5.790 1.00 0.00 C ATOM 927 O GLY A 64 1.660 3.746 -5.648 1.00 0.00 O ATOM 0 H GLY A 64 1.239 7.854 -7.108 1.00 0.00 H new ATOM 0 HA2 GLY A 64 2.801 5.670 -6.840 1.00 0.00 H new ATOM 0 HA3 GLY A 64 2.258 6.639 -5.485 1.00 0.00 H new ATOM 931 N PHE A 65 -0.169 5.049 -5.500 1.00 0.00 N ATOM 932 CA PHE A 65 -0.986 3.946 -4.995 1.00 0.00 C ATOM 933 C PHE A 65 -1.332 3.026 -6.166 1.00 0.00 C ATOM 934 O PHE A 65 -1.420 1.812 -6.007 1.00 0.00 O ATOM 935 CB PHE A 65 -2.256 4.476 -4.247 1.00 0.00 C ATOM 936 CG PHE A 65 -3.530 3.857 -4.800 1.00 0.00 C ATOM 937 CD1 PHE A 65 -3.960 4.188 -6.086 1.00 0.00 C ATOM 938 CD2 PHE A 65 -4.266 2.946 -4.033 1.00 0.00 C ATOM 939 CE1 PHE A 65 -5.112 3.624 -6.610 1.00 0.00 C ATOM 940 CE2 PHE A 65 -5.431 2.378 -4.561 1.00 0.00 C ATOM 941 CZ PHE A 65 -5.849 2.721 -5.853 1.00 0.00 C ATOM 0 H PHE A 65 -0.654 5.940 -5.602 1.00 0.00 H new ATOM 0 HA PHE A 65 -0.427 3.373 -4.255 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -2.173 4.251 -3.184 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -2.308 5.561 -4.340 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -3.390 4.889 -6.677 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -3.936 2.683 -3.039 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -5.437 3.886 -7.606 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -6.006 1.677 -3.974 1.00 0.00 H new ATOM 0 HZ PHE A 65 -6.747 2.282 -6.262 1.00 0.00 H new ATOM 951 N ASP A 66 -1.494 3.616 -7.346 1.00 0.00 N ATOM 952 CA ASP A 66 -1.797 2.838 -8.536 1.00 0.00 C ATOM 953 C ASP A 66 -0.584 1.993 -8.909 1.00 0.00 C ATOM 954 O ASP A 66 -0.714 0.878 -9.420 1.00 0.00 O ATOM 955 CB ASP A 66 -2.158 3.772 -9.697 1.00 0.00 C ATOM 956 CG ASP A 66 -2.503 2.954 -10.936 1.00 0.00 C ATOM 957 OD1 ASP A 66 -3.534 2.302 -10.923 1.00 0.00 O ATOM 958 OD2 ASP A 66 -1.731 2.990 -11.880 1.00 0.00 O ATOM 0 H ASP A 66 -1.421 4.622 -7.501 1.00 0.00 H new ATOM 0 HA ASP A 66 -2.646 2.186 -8.333 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -3.004 4.401 -9.419 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -1.323 4.438 -9.912 1.00 0.00 H new ATOM 963 N ILE A 67 0.597 2.539 -8.639 1.00 0.00 N ATOM 964 CA ILE A 67 1.843 1.847 -8.931 1.00 0.00 C ATOM 965 C ILE A 67 2.003 0.632 -8.030 1.00 0.00 C ATOM 966 O ILE A 67 2.148 -0.494 -8.501 1.00 0.00 O ATOM 967 CB ILE A 67 3.022 2.806 -8.711 1.00 0.00 C ATOM 968 CG1 ILE A 67 2.918 3.934 -9.740 1.00 0.00 C ATOM 969 CG2 ILE A 67 4.354 2.055 -8.881 1.00 0.00 C ATOM 970 CD1 ILE A 67 4.052 4.951 -9.552 1.00 0.00 C ATOM 0 H ILE A 67 0.715 3.460 -8.218 1.00 0.00 H new ATOM 0 HA ILE A 67 1.825 1.513 -9.968 1.00 0.00 H new ATOM 0 HB ILE A 67 2.989 3.215 -7.701 1.00 0.00 H new ATOM 0 HG12 ILE A 67 2.960 3.519 -10.747 1.00 0.00 H new ATOM 0 HG13 ILE A 67 1.955 4.435 -9.641 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.183 2.745 -8.723 1.00 0.00 H new ATOM 0 HG22 ILE A 67 4.411 1.246 -8.153 1.00 0.00 H new ATOM 0 HG23 ILE A 67 4.413 1.642 -9.888 1.00 0.00 H new ATOM 0 HD11 ILE A 67 3.957 5.743 -10.295 1.00 0.00 H new ATOM 0 HD12 ILE A 67 3.993 5.382 -8.552 1.00 0.00 H new ATOM 0 HD13 ILE A 67 5.013 4.451 -9.675 1.00 0.00 H new ATOM 982 N LEU A 68 1.999 0.884 -6.731 1.00 0.00 N ATOM 983 CA LEU A 68 2.173 -0.180 -5.745 1.00 0.00 C ATOM 984 C LEU A 68 1.146 -1.308 -5.929 1.00 0.00 C ATOM 985 O LEU A 68 1.522 -2.473 -6.049 1.00 0.00 O ATOM 986 CB LEU A 68 2.089 0.422 -4.325 1.00 0.00 C ATOM 987 CG LEU A 68 3.511 0.632 -3.750 1.00 0.00 C ATOM 988 CD1 LEU A 68 4.250 1.707 -4.557 1.00 0.00 C ATOM 989 CD2 LEU A 68 3.435 1.071 -2.288 1.00 0.00 C ATOM 0 H LEU A 68 1.877 1.814 -6.331 1.00 0.00 H new ATOM 0 HA LEU A 68 3.156 -0.628 -5.891 1.00 0.00 H new ATOM 0 HB2 LEU A 68 1.557 1.373 -4.356 1.00 0.00 H new ATOM 0 HB3 LEU A 68 1.519 -0.241 -3.674 1.00 0.00 H new ATOM 0 HG LEU A 68 4.050 -0.313 -3.815 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.249 1.848 -4.145 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.327 1.392 -5.598 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.699 2.646 -4.502 1.00 0.00 H new ATOM 0 HD21 LEU A 68 4.443 1.214 -1.898 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.882 2.008 -2.218 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.926 0.304 -1.704 1.00 0.00 H new ATOM 1001 N VAL A 69 -0.142 -0.971 -5.935 1.00 0.00 N ATOM 1002 CA VAL A 69 -1.175 -1.998 -6.085 1.00 0.00 C ATOM 1003 C VAL A 69 -0.948 -2.817 -7.354 1.00 0.00 C ATOM 1004 O VAL A 69 -1.349 -3.978 -7.430 1.00 0.00 O ATOM 1005 CB VAL A 69 -2.574 -1.367 -6.133 1.00 0.00 C ATOM 1006 CG1 VAL A 69 -2.798 -0.459 -4.907 1.00 0.00 C ATOM 1007 CG2 VAL A 69 -2.717 -0.552 -7.419 1.00 0.00 C ATOM 0 H VAL A 69 -0.492 -0.018 -5.840 1.00 0.00 H new ATOM 0 HA VAL A 69 -1.110 -2.655 -5.218 1.00 0.00 H new ATOM 0 HB VAL A 69 -3.323 -2.159 -6.117 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -3.794 -0.020 -4.957 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -2.707 -1.050 -3.995 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -2.051 0.335 -4.901 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -3.709 -0.102 -7.456 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -1.962 0.234 -7.438 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -2.582 -1.206 -8.281 1.00 0.00 H new ATOM 1017 N GLY A 70 -0.306 -2.209 -8.348 1.00 0.00 N ATOM 1018 CA GLY A 70 -0.040 -2.904 -9.604 1.00 0.00 C ATOM 1019 C GLY A 70 1.137 -3.863 -9.457 1.00 0.00 C ATOM 1020 O GLY A 70 1.173 -4.924 -10.082 1.00 0.00 O ATOM 0 H GLY A 70 0.036 -1.249 -8.310 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -0.927 -3.456 -9.914 1.00 0.00 H new ATOM 0 HA3 GLY A 70 0.173 -2.178 -10.388 1.00 0.00 H new ATOM 1024 N GLN A 71 2.092 -3.485 -8.614 1.00 0.00 N ATOM 1025 CA GLN A 71 3.265 -4.319 -8.379 1.00 0.00 C ATOM 1026 C GLN A 71 2.934 -5.385 -7.353 1.00 0.00 C ATOM 1027 O GLN A 71 3.198 -6.570 -7.557 1.00 0.00 O ATOM 1028 CB GLN A 71 4.419 -3.459 -7.874 1.00 0.00 C ATOM 1029 CG GLN A 71 4.760 -2.408 -8.924 1.00 0.00 C ATOM 1030 CD GLN A 71 5.741 -1.399 -8.351 1.00 0.00 C ATOM 1031 OE1 GLN A 71 6.730 -1.059 -8.999 1.00 0.00 O ATOM 1032 NE2 GLN A 71 5.532 -0.899 -7.169 1.00 0.00 N ATOM 0 H GLN A 71 2.078 -2.613 -8.085 1.00 0.00 H new ATOM 0 HA GLN A 71 3.559 -4.797 -9.314 1.00 0.00 H new ATOM 0 HB2 GLN A 71 4.145 -2.977 -6.936 1.00 0.00 H new ATOM 0 HB3 GLN A 71 5.290 -4.082 -7.670 1.00 0.00 H new ATOM 0 HG2 GLN A 71 5.191 -2.887 -9.803 1.00 0.00 H new ATOM 0 HG3 GLN A 71 3.852 -1.900 -9.250 1.00 0.00 H new ATOM 0 HE21 GLN A 71 4.711 -1.182 -6.633 1.00 0.00 H new ATOM 0 HE22 GLN A 71 6.189 -0.224 -6.778 1.00 0.00 H new ATOM 1041 N ILE A 72 2.327 -4.950 -6.255 1.00 0.00 N ATOM 1042 CA ILE A 72 1.924 -5.863 -5.189 1.00 0.00 C ATOM 1043 C ILE A 72 1.336 -7.134 -5.806 1.00 0.00 C ATOM 1044 O ILE A 72 1.737 -8.249 -5.467 1.00 0.00 O ATOM 1045 CB ILE A 72 0.893 -5.142 -4.289 1.00 0.00 C ATOM 1046 CG1 ILE A 72 1.631 -4.281 -3.242 1.00 0.00 C ATOM 1047 CG2 ILE A 72 -0.024 -6.147 -3.573 1.00 0.00 C ATOM 1048 CD1 ILE A 72 0.740 -3.116 -2.803 1.00 0.00 C ATOM 0 H ILE A 72 2.103 -3.971 -6.078 1.00 0.00 H new ATOM 0 HA ILE A 72 2.780 -6.151 -4.579 1.00 0.00 H new ATOM 0 HB ILE A 72 0.274 -4.508 -4.924 1.00 0.00 H new ATOM 0 HG12 ILE A 72 1.898 -4.891 -2.379 1.00 0.00 H new ATOM 0 HG13 ILE A 72 2.562 -3.900 -3.663 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -0.737 -5.608 -2.949 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -0.564 -6.738 -4.313 1.00 0.00 H new ATOM 0 HG23 ILE A 72 0.578 -6.808 -2.949 1.00 0.00 H new ATOM 0 HD11 ILE A 72 1.268 -2.513 -2.064 1.00 0.00 H new ATOM 0 HD12 ILE A 72 0.496 -2.499 -3.668 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -0.179 -3.506 -2.364 1.00 0.00 H new ATOM 1060 N ASP A 73 0.401 -6.950 -6.732 1.00 0.00 N ATOM 1061 CA ASP A 73 -0.211 -8.081 -7.407 1.00 0.00 C ATOM 1062 C ASP A 73 0.849 -8.814 -8.217 1.00 0.00 C ATOM 1063 O ASP A 73 1.078 -10.006 -8.023 1.00 0.00 O ATOM 1064 CB ASP A 73 -1.334 -7.601 -8.329 1.00 0.00 C ATOM 1065 CG ASP A 73 -2.067 -8.800 -8.922 1.00 0.00 C ATOM 1066 OD1 ASP A 73 -2.495 -9.647 -8.154 1.00 0.00 O ATOM 1067 OD2 ASP A 73 -2.192 -8.853 -10.134 1.00 0.00 O ATOM 0 H ASP A 73 0.055 -6.037 -7.028 1.00 0.00 H new ATOM 0 HA ASP A 73 -0.636 -8.757 -6.665 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -2.032 -6.976 -7.772 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -0.922 -6.984 -9.128 1.00 0.00 H new ATOM 1072 N ASP A 74 1.509 -8.080 -9.113 1.00 0.00 N ATOM 1073 CA ASP A 74 2.561 -8.659 -9.941 1.00 0.00 C ATOM 1074 C ASP A 74 3.459 -9.563 -9.104 1.00 0.00 C ATOM 1075 O ASP A 74 3.989 -10.559 -9.595 1.00 0.00 O ATOM 1076 CB ASP A 74 3.408 -7.543 -10.560 1.00 0.00 C ATOM 1077 CG ASP A 74 4.215 -8.089 -11.734 1.00 0.00 C ATOM 1078 OD1 ASP A 74 4.694 -9.207 -11.631 1.00 0.00 O ATOM 1079 OD2 ASP A 74 4.343 -7.381 -12.720 1.00 0.00 O ATOM 0 H ASP A 74 1.334 -7.089 -9.282 1.00 0.00 H new ATOM 0 HA ASP A 74 2.095 -9.249 -10.730 1.00 0.00 H new ATOM 0 HB2 ASP A 74 2.764 -6.731 -10.897 1.00 0.00 H new ATOM 0 HB3 ASP A 74 4.079 -7.126 -9.809 1.00 0.00 H new ATOM 1084 N ALA A 75 3.624 -9.203 -7.836 1.00 0.00 N ATOM 1085 CA ALA A 75 4.460 -9.982 -6.936 1.00 0.00 C ATOM 1086 C ALA A 75 3.830 -11.345 -6.690 1.00 0.00 C ATOM 1087 O ALA A 75 4.335 -12.367 -7.157 1.00 0.00 O ATOM 1088 CB ALA A 75 4.637 -9.242 -5.609 1.00 0.00 C ATOM 0 H ALA A 75 3.192 -8.382 -7.412 1.00 0.00 H new ATOM 0 HA ALA A 75 5.438 -10.120 -7.396 1.00 0.00 H new ATOM 0 HB1 ALA A 75 5.264 -9.834 -4.943 1.00 0.00 H new ATOM 0 HB2 ALA A 75 5.110 -8.277 -5.791 1.00 0.00 H new ATOM 0 HB3 ALA A 75 3.662 -9.087 -5.146 1.00 0.00 H new ATOM 1094 N LEU A 76 2.712 -11.357 -5.968 1.00 0.00 N ATOM 1095 CA LEU A 76 2.024 -12.612 -5.693 1.00 0.00 C ATOM 1096 C LEU A 76 1.783 -13.340 -7.001 1.00 0.00 C ATOM 1097 O LEU A 76 2.080 -14.519 -7.128 1.00 0.00 O ATOM 1098 CB LEU A 76 0.679 -12.352 -5.008 1.00 0.00 C ATOM 1099 CG LEU A 76 -0.079 -13.700 -4.759 1.00 0.00 C ATOM 1100 CD1 LEU A 76 -0.403 -13.860 -3.267 1.00 0.00 C ATOM 1101 CD2 LEU A 76 -1.396 -13.723 -5.549 1.00 0.00 C ATOM 0 H LEU A 76 2.271 -10.528 -5.570 1.00 0.00 H new ATOM 0 HA LEU A 76 2.644 -13.216 -5.030 1.00 0.00 H new ATOM 0 HB2 LEU A 76 0.840 -11.838 -4.060 1.00 0.00 H new ATOM 0 HB3 LEU A 76 0.070 -11.694 -5.628 1.00 0.00 H new ATOM 0 HG LEU A 76 0.565 -14.516 -5.088 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -0.930 -14.801 -3.108 1.00 0.00 H new ATOM 0 HD12 LEU A 76 0.523 -13.861 -2.692 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -1.032 -13.032 -2.941 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -1.913 -14.665 -5.367 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -2.028 -12.895 -5.228 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -1.183 -13.625 -6.614 1.00 0.00 H new ATOM 1113 N LYS A 77 1.264 -12.603 -7.977 1.00 0.00 N ATOM 1114 CA LYS A 77 0.996 -13.142 -9.305 1.00 0.00 C ATOM 1115 C LYS A 77 2.123 -14.090 -9.714 1.00 0.00 C ATOM 1116 O LYS A 77 1.885 -15.231 -10.104 1.00 0.00 O ATOM 1117 CB LYS A 77 0.886 -11.951 -10.272 1.00 0.00 C ATOM 1118 CG LYS A 77 0.300 -12.375 -11.629 1.00 0.00 C ATOM 1119 CD LYS A 77 1.396 -13.002 -12.540 1.00 0.00 C ATOM 1120 CE LYS A 77 1.023 -14.443 -12.909 1.00 0.00 C ATOM 1121 NZ LYS A 77 -0.051 -14.429 -13.943 1.00 0.00 N ATOM 0 H LYS A 77 1.018 -11.619 -7.870 1.00 0.00 H new ATOM 0 HA LYS A 77 0.068 -13.714 -9.321 1.00 0.00 H new ATOM 0 HB2 LYS A 77 0.257 -11.179 -9.829 1.00 0.00 H new ATOM 0 HB3 LYS A 77 1.872 -11.512 -10.422 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -0.503 -13.095 -11.473 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -0.139 -11.510 -12.126 1.00 0.00 H new ATOM 0 HD2 LYS A 77 1.510 -12.406 -13.445 1.00 0.00 H new ATOM 0 HD3 LYS A 77 2.357 -12.988 -12.026 1.00 0.00 H new ATOM 0 HE2 LYS A 77 1.899 -14.971 -13.286 1.00 0.00 H new ATOM 0 HE3 LYS A 77 0.683 -14.980 -12.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -0.304 -15.406 -14.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -0.888 -13.940 -13.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 0.289 -13.931 -14.790 1.00 0.00 H new ATOM 1135 N LEU A 78 3.350 -13.610 -9.595 1.00 0.00 N ATOM 1136 CA LEU A 78 4.516 -14.422 -9.938 1.00 0.00 C ATOM 1137 C LEU A 78 4.537 -15.706 -9.102 1.00 0.00 C ATOM 1138 O LEU A 78 4.459 -16.810 -9.641 1.00 0.00 O ATOM 1139 CB LEU A 78 5.802 -13.609 -9.704 1.00 0.00 C ATOM 1140 CG LEU A 78 6.937 -14.094 -10.627 1.00 0.00 C ATOM 1141 CD1 LEU A 78 7.108 -15.612 -10.486 1.00 0.00 C ATOM 1142 CD2 LEU A 78 6.638 -13.735 -12.101 1.00 0.00 C ATOM 0 H LEU A 78 3.568 -12.669 -9.266 1.00 0.00 H new ATOM 0 HA LEU A 78 4.458 -14.699 -10.991 1.00 0.00 H new ATOM 0 HB2 LEU A 78 5.607 -12.552 -9.886 1.00 0.00 H new ATOM 0 HB3 LEU A 78 6.111 -13.701 -8.663 1.00 0.00 H new ATOM 0 HG LEU A 78 7.860 -13.595 -10.331 1.00 0.00 H new ATOM 0 HD11 LEU A 78 7.911 -15.950 -11.140 1.00 0.00 H new ATOM 0 HD12 LEU A 78 7.355 -15.856 -9.453 1.00 0.00 H new ATOM 0 HD13 LEU A 78 6.179 -16.110 -10.765 1.00 0.00 H new ATOM 0 HD21 LEU A 78 7.453 -14.087 -12.734 1.00 0.00 H new ATOM 0 HD22 LEU A 78 5.707 -14.211 -12.410 1.00 0.00 H new ATOM 0 HD23 LEU A 78 6.543 -12.654 -12.200 1.00 0.00 H new ATOM 1154 N ALA A 79 4.634 -15.551 -7.783 1.00 0.00 N ATOM 1155 CA ALA A 79 4.652 -16.704 -6.877 1.00 0.00 C ATOM 1156 C ALA A 79 3.373 -17.513 -7.035 1.00 0.00 C ATOM 1157 O ALA A 79 3.312 -18.685 -6.665 1.00 0.00 O ATOM 1158 CB ALA A 79 4.753 -16.226 -5.430 1.00 0.00 C ATOM 0 H ALA A 79 4.701 -14.646 -7.318 1.00 0.00 H new ATOM 0 HA ALA A 79 5.513 -17.325 -7.124 1.00 0.00 H new ATOM 0 HB1 ALA A 79 4.766 -17.087 -4.762 1.00 0.00 H new ATOM 0 HB2 ALA A 79 5.670 -15.652 -5.300 1.00 0.00 H new ATOM 0 HB3 ALA A 79 3.895 -15.597 -5.194 1.00 0.00 H new ATOM 1164 N ASN A 80 2.353 -16.872 -7.591 1.00 0.00 N ATOM 1165 CA ASN A 80 1.073 -17.525 -7.807 1.00 0.00 C ATOM 1166 C ASN A 80 1.143 -18.336 -9.090 1.00 0.00 C ATOM 1167 O ASN A 80 0.330 -19.230 -9.329 1.00 0.00 O ATOM 1168 CB ASN A 80 -0.039 -16.477 -7.916 1.00 0.00 C ATOM 1169 CG ASN A 80 -1.401 -17.140 -7.754 1.00 0.00 C ATOM 1170 OD1 ASN A 80 -1.524 -18.356 -7.899 1.00 0.00 O ATOM 1171 ND2 ASN A 80 -2.439 -16.407 -7.459 1.00 0.00 N ATOM 0 H ASN A 80 2.389 -15.901 -7.900 1.00 0.00 H new ATOM 0 HA ASN A 80 0.853 -18.183 -6.966 1.00 0.00 H new ATOM 0 HB2 ASN A 80 0.095 -15.712 -7.151 1.00 0.00 H new ATOM 0 HB3 ASN A 80 0.017 -15.975 -8.882 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -3.355 -16.841 -7.348 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -2.334 -15.399 -7.339 1.00 0.00 H new ATOM 1178 N GLU A 81 2.134 -18.002 -9.911 1.00 0.00 N ATOM 1179 CA GLU A 81 2.339 -18.682 -11.181 1.00 0.00 C ATOM 1180 C GLU A 81 3.145 -19.957 -10.982 1.00 0.00 C ATOM 1181 O GLU A 81 2.738 -21.029 -11.431 1.00 0.00 O ATOM 1182 CB GLU A 81 3.082 -17.758 -12.148 1.00 0.00 C ATOM 1183 CG GLU A 81 2.953 -18.296 -13.576 1.00 0.00 C ATOM 1184 CD GLU A 81 1.526 -18.105 -14.079 1.00 0.00 C ATOM 1185 OE1 GLU A 81 0.746 -17.489 -13.369 1.00 0.00 O ATOM 1186 OE2 GLU A 81 1.234 -18.576 -15.165 1.00 0.00 O ATOM 0 H GLU A 81 2.808 -17.262 -9.717 1.00 0.00 H new ATOM 0 HA GLU A 81 1.365 -18.942 -11.595 1.00 0.00 H new ATOM 0 HB2 GLU A 81 2.672 -16.750 -12.090 1.00 0.00 H new ATOM 0 HB3 GLU A 81 4.133 -17.691 -11.868 1.00 0.00 H new ATOM 0 HG2 GLU A 81 3.651 -17.778 -14.233 1.00 0.00 H new ATOM 0 HG3 GLU A 81 3.217 -19.353 -13.600 1.00 0.00 H new ATOM 1193 N GLY A 82 4.301 -19.845 -10.319 1.00 0.00 N ATOM 1194 CA GLY A 82 5.143 -21.010 -10.095 1.00 0.00 C ATOM 1195 C GLY A 82 5.895 -20.940 -8.770 1.00 0.00 C ATOM 1196 O GLY A 82 5.439 -21.476 -7.762 1.00 0.00 O ATOM 0 H GLY A 82 4.665 -18.972 -9.936 1.00 0.00 H new ATOM 0 HA2 GLY A 82 4.527 -21.909 -10.112 1.00 0.00 H new ATOM 0 HA3 GLY A 82 5.859 -21.099 -10.912 1.00 0.00 H new ATOM 1200 N LYS A 83 7.091 -20.347 -8.799 1.00 0.00 N ATOM 1201 CA LYS A 83 7.952 -20.299 -7.606 1.00 0.00 C ATOM 1202 C LYS A 83 8.075 -18.908 -6.974 1.00 0.00 C ATOM 1203 O LYS A 83 8.079 -17.874 -7.654 1.00 0.00 O ATOM 1204 CB LYS A 83 9.345 -20.806 -8.013 1.00 0.00 C ATOM 1205 CG LYS A 83 10.301 -20.886 -6.803 1.00 0.00 C ATOM 1206 CD LYS A 83 9.818 -21.883 -5.727 1.00 0.00 C ATOM 1207 CE LYS A 83 9.413 -23.219 -6.359 1.00 0.00 C ATOM 1208 NZ LYS A 83 9.422 -24.282 -5.316 1.00 0.00 N ATOM 0 H LYS A 83 7.486 -19.897 -9.625 1.00 0.00 H new ATOM 0 HA LYS A 83 7.490 -20.926 -6.843 1.00 0.00 H new ATOM 0 HB2 LYS A 83 9.254 -21.791 -8.470 1.00 0.00 H new ATOM 0 HB3 LYS A 83 9.768 -20.142 -8.767 1.00 0.00 H new ATOM 0 HG2 LYS A 83 11.292 -21.181 -7.147 1.00 0.00 H new ATOM 0 HG3 LYS A 83 10.400 -19.896 -6.357 1.00 0.00 H new ATOM 0 HD2 LYS A 83 10.610 -22.047 -4.997 1.00 0.00 H new ATOM 0 HD3 LYS A 83 8.970 -21.460 -5.188 1.00 0.00 H new ATOM 0 HE2 LYS A 83 8.421 -23.138 -6.803 1.00 0.00 H new ATOM 0 HE3 LYS A 83 10.102 -23.477 -7.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 9.147 -25.190 -5.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 10.377 -24.364 -4.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 8.748 -24.036 -4.563 1.00 0.00 H new ATOM 1222 N VAL A 84 8.208 -18.915 -5.646 1.00 0.00 N ATOM 1223 CA VAL A 84 8.362 -17.685 -4.878 1.00 0.00 C ATOM 1224 C VAL A 84 9.738 -17.074 -5.138 1.00 0.00 C ATOM 1225 O VAL A 84 9.861 -15.873 -5.351 1.00 0.00 O ATOM 1226 CB VAL A 84 8.210 -17.980 -3.379 1.00 0.00 C ATOM 1227 CG1 VAL A 84 8.520 -16.714 -2.572 1.00 0.00 C ATOM 1228 CG2 VAL A 84 6.775 -18.442 -3.077 1.00 0.00 C ATOM 0 H VAL A 84 8.212 -19.764 -5.081 1.00 0.00 H new ATOM 0 HA VAL A 84 7.590 -16.980 -5.188 1.00 0.00 H new ATOM 0 HB VAL A 84 8.906 -18.771 -3.100 1.00 0.00 H new ATOM 0 HG11 VAL A 84 8.412 -16.925 -1.508 1.00 0.00 H new ATOM 0 HG12 VAL A 84 9.542 -16.393 -2.776 1.00 0.00 H new ATOM 0 HG13 VAL A 84 7.827 -15.922 -2.857 1.00 0.00 H new ATOM 0 HG21 VAL A 84 6.676 -18.649 -2.011 1.00 0.00 H new ATOM 0 HG22 VAL A 84 6.073 -17.658 -3.361 1.00 0.00 H new ATOM 0 HG23 VAL A 84 6.557 -19.347 -3.644 1.00 0.00 H new ATOM 1238 N LYS A 85 10.766 -17.914 -5.116 1.00 0.00 N ATOM 1239 CA LYS A 85 12.133 -17.458 -5.352 1.00 0.00 C ATOM 1240 C LYS A 85 12.184 -16.517 -6.550 1.00 0.00 C ATOM 1241 O LYS A 85 12.939 -15.545 -6.558 1.00 0.00 O ATOM 1242 CB LYS A 85 13.049 -18.660 -5.612 1.00 0.00 C ATOM 1243 CG LYS A 85 12.995 -19.637 -4.425 1.00 0.00 C ATOM 1244 CD LYS A 85 13.917 -19.158 -3.297 1.00 0.00 C ATOM 1245 CE LYS A 85 14.010 -20.244 -2.224 1.00 0.00 C ATOM 1246 NZ LYS A 85 14.970 -19.817 -1.168 1.00 0.00 N ATOM 0 H LYS A 85 10.680 -18.915 -4.937 1.00 0.00 H new ATOM 0 HA LYS A 85 12.474 -16.923 -4.465 1.00 0.00 H new ATOM 0 HB2 LYS A 85 12.742 -19.169 -6.526 1.00 0.00 H new ATOM 0 HB3 LYS A 85 14.073 -18.319 -5.766 1.00 0.00 H new ATOM 0 HG2 LYS A 85 11.972 -19.717 -4.058 1.00 0.00 H new ATOM 0 HG3 LYS A 85 13.296 -20.633 -4.751 1.00 0.00 H new ATOM 0 HD2 LYS A 85 14.908 -18.935 -3.692 1.00 0.00 H new ATOM 0 HD3 LYS A 85 13.532 -18.235 -2.864 1.00 0.00 H new ATOM 0 HE2 LYS A 85 13.028 -20.423 -1.787 1.00 0.00 H new ATOM 0 HE3 LYS A 85 14.337 -21.184 -2.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 15.034 -20.555 -0.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 15.908 -19.667 -1.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 14.639 -18.931 -0.736 1.00 0.00 H new ATOM 1260 N GLU A 86 11.367 -16.807 -7.556 1.00 0.00 N ATOM 1261 CA GLU A 86 11.317 -15.972 -8.752 1.00 0.00 C ATOM 1262 C GLU A 86 10.545 -14.707 -8.436 1.00 0.00 C ATOM 1263 O GLU A 86 10.797 -13.641 -8.999 1.00 0.00 O ATOM 1264 CB GLU A 86 10.632 -16.719 -9.897 1.00 0.00 C ATOM 1265 CG GLU A 86 11.417 -17.989 -10.214 1.00 0.00 C ATOM 1266 CD GLU A 86 10.747 -18.748 -11.355 1.00 0.00 C ATOM 1267 OE1 GLU A 86 9.529 -18.801 -11.370 1.00 0.00 O ATOM 1268 OE2 GLU A 86 11.463 -19.265 -12.197 1.00 0.00 O ATOM 0 H GLU A 86 10.735 -17.607 -7.569 1.00 0.00 H new ATOM 0 HA GLU A 86 12.333 -15.724 -9.059 1.00 0.00 H new ATOM 0 HB2 GLU A 86 9.608 -16.970 -9.621 1.00 0.00 H new ATOM 0 HB3 GLU A 86 10.577 -16.082 -10.780 1.00 0.00 H new ATOM 0 HG2 GLU A 86 12.441 -17.734 -10.488 1.00 0.00 H new ATOM 0 HG3 GLU A 86 11.472 -18.622 -9.329 1.00 0.00 H new ATOM 1275 N ALA A 87 9.614 -14.844 -7.506 1.00 0.00 N ATOM 1276 CA ALA A 87 8.801 -13.717 -7.069 1.00 0.00 C ATOM 1277 C ALA A 87 9.583 -12.876 -6.066 1.00 0.00 C ATOM 1278 O ALA A 87 9.707 -11.661 -6.224 1.00 0.00 O ATOM 1279 CB ALA A 87 7.507 -14.218 -6.428 1.00 0.00 C ATOM 0 H ALA A 87 9.401 -15.725 -7.038 1.00 0.00 H new ATOM 0 HA ALA A 87 8.551 -13.104 -7.935 1.00 0.00 H new ATOM 0 HB1 ALA A 87 6.908 -13.367 -6.105 1.00 0.00 H new ATOM 0 HB2 ALA A 87 6.944 -14.804 -7.155 1.00 0.00 H new ATOM 0 HB3 ALA A 87 7.745 -14.841 -5.566 1.00 0.00 H new ATOM 1285 N GLN A 88 10.128 -13.534 -5.042 1.00 0.00 N ATOM 1286 CA GLN A 88 10.916 -12.840 -4.032 1.00 0.00 C ATOM 1287 C GLN A 88 11.926 -11.941 -4.738 1.00 0.00 C ATOM 1288 O GLN A 88 12.223 -10.835 -4.286 1.00 0.00 O ATOM 1289 CB GLN A 88 11.581 -13.873 -3.081 1.00 0.00 C ATOM 1290 CG GLN A 88 13.025 -14.212 -3.499 1.00 0.00 C ATOM 1291 CD GLN A 88 13.982 -13.164 -2.955 1.00 0.00 C ATOM 1292 OE1 GLN A 88 13.507 -12.005 -2.632 1.00 0.00 O flip ATOM 1293 NE2 GLN A 88 15.182 -13.409 -2.826 1.00 0.00 N flip ATOM 0 H GLN A 88 10.037 -14.539 -4.894 1.00 0.00 H new ATOM 0 HA GLN A 88 10.286 -12.207 -3.408 1.00 0.00 H new ATOM 0 HB2 GLN A 88 11.583 -13.479 -2.065 1.00 0.00 H new ATOM 0 HB3 GLN A 88 10.986 -14.786 -3.067 1.00 0.00 H new ATOM 0 HG2 GLN A 88 13.300 -15.198 -3.123 1.00 0.00 H new ATOM 0 HG3 GLN A 88 13.098 -14.254 -4.586 1.00 0.00 H new ATOM 0 HE21 GLN A 88 15.546 -14.326 -3.084 1.00 0.00 H new ATOM 0 HE22 GLN A 88 15.812 -12.695 -2.461 1.00 0.00 H new ATOM 1302 N ALA A 89 12.410 -12.413 -5.881 1.00 0.00 N ATOM 1303 CA ALA A 89 13.342 -11.639 -6.677 1.00 0.00 C ATOM 1304 C ALA A 89 12.557 -10.556 -7.399 1.00 0.00 C ATOM 1305 O ALA A 89 12.998 -9.410 -7.509 1.00 0.00 O ATOM 1306 CB ALA A 89 14.052 -12.538 -7.691 1.00 0.00 C ATOM 0 H ALA A 89 12.171 -13.324 -6.272 1.00 0.00 H new ATOM 0 HA ALA A 89 14.101 -11.193 -6.034 1.00 0.00 H new ATOM 0 HB1 ALA A 89 14.748 -11.942 -8.281 1.00 0.00 H new ATOM 0 HB2 ALA A 89 14.599 -13.319 -7.164 1.00 0.00 H new ATOM 0 HB3 ALA A 89 13.315 -12.994 -8.352 1.00 0.00 H new ATOM 1312 N ALA A 90 11.367 -10.922 -7.864 1.00 0.00 N ATOM 1313 CA ALA A 90 10.520 -9.957 -8.542 1.00 0.00 C ATOM 1314 C ALA A 90 10.050 -8.909 -7.538 1.00 0.00 C ATOM 1315 O ALA A 90 9.567 -7.845 -7.910 1.00 0.00 O ATOM 1316 CB ALA A 90 9.311 -10.657 -9.173 1.00 0.00 C ATOM 0 H ALA A 90 10.976 -11.861 -7.785 1.00 0.00 H new ATOM 0 HA ALA A 90 11.091 -9.474 -9.335 1.00 0.00 H new ATOM 0 HB1 ALA A 90 8.686 -9.920 -9.677 1.00 0.00 H new ATOM 0 HB2 ALA A 90 9.655 -11.396 -9.896 1.00 0.00 H new ATOM 0 HB3 ALA A 90 8.731 -11.153 -8.395 1.00 0.00 H new ATOM 1322 N ALA A 91 10.203 -9.225 -6.256 1.00 0.00 N ATOM 1323 CA ALA A 91 9.792 -8.310 -5.199 1.00 0.00 C ATOM 1324 C ALA A 91 10.838 -7.219 -4.983 1.00 0.00 C ATOM 1325 O ALA A 91 10.540 -6.027 -5.084 1.00 0.00 O ATOM 1326 CB ALA A 91 9.585 -9.083 -3.895 1.00 0.00 C ATOM 0 H ALA A 91 10.606 -10.102 -5.926 1.00 0.00 H new ATOM 0 HA ALA A 91 8.856 -7.839 -5.501 1.00 0.00 H new ATOM 0 HB1 ALA A 91 9.278 -8.394 -3.108 1.00 0.00 H new ATOM 0 HB2 ALA A 91 8.812 -9.838 -4.038 1.00 0.00 H new ATOM 0 HB3 ALA A 91 10.518 -9.569 -3.608 1.00 0.00 H new ATOM 1332 N GLU A 92 12.062 -7.628 -4.677 1.00 0.00 N ATOM 1333 CA GLU A 92 13.128 -6.665 -4.441 1.00 0.00 C ATOM 1334 C GLU A 92 13.198 -5.647 -5.581 1.00 0.00 C ATOM 1335 O GLU A 92 13.532 -4.482 -5.359 1.00 0.00 O ATOM 1336 CB GLU A 92 14.476 -7.393 -4.273 1.00 0.00 C ATOM 1337 CG GLU A 92 15.101 -7.707 -5.644 1.00 0.00 C ATOM 1338 CD GLU A 92 15.900 -6.510 -6.153 1.00 0.00 C ATOM 1339 OE1 GLU A 92 16.701 -5.991 -5.393 1.00 0.00 O ATOM 1340 OE2 GLU A 92 15.699 -6.130 -7.295 1.00 0.00 O ATOM 0 H GLU A 92 12.339 -8.606 -4.587 1.00 0.00 H new ATOM 0 HA GLU A 92 12.911 -6.124 -3.520 1.00 0.00 H new ATOM 0 HB2 GLU A 92 15.158 -6.775 -3.690 1.00 0.00 H new ATOM 0 HB3 GLU A 92 14.328 -8.318 -3.715 1.00 0.00 H new ATOM 0 HG2 GLU A 92 15.751 -8.578 -5.563 1.00 0.00 H new ATOM 0 HG3 GLU A 92 14.317 -7.959 -6.358 1.00 0.00 H new ATOM 1347 N GLN A 93 12.882 -6.083 -6.802 1.00 0.00 N ATOM 1348 CA GLN A 93 12.931 -5.163 -7.933 1.00 0.00 C ATOM 1349 C GLN A 93 11.909 -4.042 -7.725 1.00 0.00 C ATOM 1350 O GLN A 93 11.990 -2.978 -8.344 1.00 0.00 O ATOM 1351 CB GLN A 93 12.696 -5.923 -9.262 1.00 0.00 C ATOM 1352 CG GLN A 93 11.204 -5.954 -9.644 1.00 0.00 C ATOM 1353 CD GLN A 93 10.829 -4.707 -10.443 1.00 0.00 C ATOM 1354 OE1 GLN A 93 11.618 -3.767 -10.536 1.00 0.00 O ATOM 1355 NE2 GLN A 93 9.665 -4.646 -11.031 1.00 0.00 N ATOM 0 H GLN A 93 12.598 -7.037 -7.027 1.00 0.00 H new ATOM 0 HA GLN A 93 13.921 -4.711 -7.995 1.00 0.00 H new ATOM 0 HB2 GLN A 93 13.266 -5.446 -10.060 1.00 0.00 H new ATOM 0 HB3 GLN A 93 13.069 -6.943 -9.169 1.00 0.00 H new ATOM 0 HG2 GLN A 93 10.992 -6.847 -10.232 1.00 0.00 H new ATOM 0 HG3 GLN A 93 10.593 -6.013 -8.743 1.00 0.00 H new ATOM 0 HE21 GLN A 93 9.013 -5.426 -10.953 1.00 0.00 H new ATOM 0 HE22 GLN A 93 9.408 -3.818 -11.569 1.00 0.00 H new ATOM 1364 N LEU A 94 10.966 -4.283 -6.814 1.00 0.00 N ATOM 1365 CA LEU A 94 9.954 -3.285 -6.502 1.00 0.00 C ATOM 1366 C LEU A 94 10.542 -2.286 -5.531 1.00 0.00 C ATOM 1367 O LEU A 94 10.406 -1.075 -5.701 1.00 0.00 O ATOM 1368 CB LEU A 94 8.717 -3.929 -5.866 1.00 0.00 C ATOM 1369 CG LEU A 94 8.193 -5.069 -6.750 1.00 0.00 C ATOM 1370 CD1 LEU A 94 6.904 -5.638 -6.134 1.00 0.00 C ATOM 1371 CD2 LEU A 94 7.903 -4.534 -8.164 1.00 0.00 C ATOM 0 H LEU A 94 10.885 -5.152 -6.286 1.00 0.00 H new ATOM 0 HA LEU A 94 9.650 -2.796 -7.427 1.00 0.00 H new ATOM 0 HB2 LEU A 94 8.967 -4.313 -4.877 1.00 0.00 H new ATOM 0 HB3 LEU A 94 7.938 -3.179 -5.729 1.00 0.00 H new ATOM 0 HG LEU A 94 8.943 -5.857 -6.813 1.00 0.00 H new ATOM 0 HD11 LEU A 94 6.529 -6.448 -6.759 1.00 0.00 H new ATOM 0 HD12 LEU A 94 7.116 -6.019 -5.135 1.00 0.00 H new ATOM 0 HD13 LEU A 94 6.153 -4.851 -6.071 1.00 0.00 H new ATOM 0 HD21 LEU A 94 7.531 -5.345 -8.791 1.00 0.00 H new ATOM 0 HD22 LEU A 94 7.153 -3.745 -8.108 1.00 0.00 H new ATOM 0 HD23 LEU A 94 8.820 -4.133 -8.596 1.00 0.00 H new ATOM 1383 N LYS A 95 11.223 -2.810 -4.518 1.00 0.00 N ATOM 1384 CA LYS A 95 11.858 -1.958 -3.521 1.00 0.00 C ATOM 1385 C LYS A 95 12.616 -0.842 -4.225 1.00 0.00 C ATOM 1386 O LYS A 95 12.620 0.305 -3.785 1.00 0.00 O ATOM 1387 CB LYS A 95 12.827 -2.776 -2.659 1.00 0.00 C ATOM 1388 CG LYS A 95 12.045 -3.749 -1.759 1.00 0.00 C ATOM 1389 CD LYS A 95 11.378 -2.993 -0.571 1.00 0.00 C ATOM 1390 CE LYS A 95 11.955 -3.474 0.767 1.00 0.00 C ATOM 1391 NZ LYS A 95 11.395 -2.648 1.874 1.00 0.00 N ATOM 0 H LYS A 95 11.349 -3.811 -4.366 1.00 0.00 H new ATOM 0 HA LYS A 95 11.090 -1.533 -2.875 1.00 0.00 H new ATOM 0 HB2 LYS A 95 13.513 -3.332 -3.298 1.00 0.00 H new ATOM 0 HB3 LYS A 95 13.432 -2.108 -2.046 1.00 0.00 H new ATOM 0 HG2 LYS A 95 11.281 -4.259 -2.346 1.00 0.00 H new ATOM 0 HG3 LYS A 95 12.717 -4.516 -1.375 1.00 0.00 H new ATOM 0 HD2 LYS A 95 11.540 -1.920 -0.679 1.00 0.00 H new ATOM 0 HD3 LYS A 95 10.300 -3.156 -0.588 1.00 0.00 H new ATOM 0 HE2 LYS A 95 11.712 -4.525 0.924 1.00 0.00 H new ATOM 0 HE3 LYS A 95 13.042 -3.397 0.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 11.785 -2.973 2.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 11.649 -1.650 1.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 10.359 -2.743 1.889 1.00 0.00 H new ATOM 1405 N THR A 96 13.236 -1.190 -5.341 1.00 0.00 N ATOM 1406 CA THR A 96 13.977 -0.216 -6.122 1.00 0.00 C ATOM 1407 C THR A 96 13.011 0.757 -6.791 1.00 0.00 C ATOM 1408 O THR A 96 13.246 1.965 -6.825 1.00 0.00 O ATOM 1409 CB THR A 96 14.792 -0.925 -7.199 1.00 0.00 C ATOM 1410 OG1 THR A 96 15.422 -2.069 -6.639 1.00 0.00 O ATOM 1411 CG2 THR A 96 15.854 0.026 -7.756 1.00 0.00 C ATOM 0 H THR A 96 13.241 -2.135 -5.724 1.00 0.00 H new ATOM 0 HA THR A 96 14.645 0.330 -5.457 1.00 0.00 H new ATOM 0 HB THR A 96 14.130 -1.234 -8.008 1.00 0.00 H new ATOM 0 HG1 THR A 96 15.944 -2.526 -7.331 1.00 0.00 H new ATOM 0 HG21 THR A 96 16.433 -0.485 -8.525 1.00 0.00 H new ATOM 0 HG22 THR A 96 15.368 0.900 -8.189 1.00 0.00 H new ATOM 0 HG23 THR A 96 16.518 0.341 -6.951 1.00 0.00 H new ATOM 1419 N THR A 97 11.925 0.212 -7.337 1.00 0.00 N ATOM 1420 CA THR A 97 10.931 1.036 -8.017 1.00 0.00 C ATOM 1421 C THR A 97 10.344 2.081 -7.072 1.00 0.00 C ATOM 1422 O THR A 97 10.353 3.280 -7.376 1.00 0.00 O ATOM 1423 CB THR A 97 9.807 0.157 -8.573 1.00 0.00 C ATOM 1424 OG1 THR A 97 10.370 -0.893 -9.347 1.00 0.00 O ATOM 1425 CG2 THR A 97 8.879 1.002 -9.453 1.00 0.00 C ATOM 0 H THR A 97 11.714 -0.786 -7.322 1.00 0.00 H new ATOM 0 HA THR A 97 11.428 1.552 -8.838 1.00 0.00 H new ATOM 0 HB THR A 97 9.234 -0.265 -7.747 1.00 0.00 H new ATOM 0 HG1 THR A 97 10.768 -1.561 -8.751 1.00 0.00 H new ATOM 0 HG21 THR A 97 8.080 0.374 -9.847 1.00 0.00 H new ATOM 0 HG22 THR A 97 8.448 1.807 -8.859 1.00 0.00 H new ATOM 0 HG23 THR A 97 9.449 1.426 -10.280 1.00 0.00 H new ATOM 1433 N ILE A 98 9.835 1.642 -5.922 1.00 0.00 N ATOM 1434 CA ILE A 98 9.265 2.592 -4.984 1.00 0.00 C ATOM 1435 C ILE A 98 10.338 3.583 -4.570 1.00 0.00 C ATOM 1436 O ILE A 98 10.035 4.720 -4.208 1.00 0.00 O ATOM 1437 CB ILE A 98 8.663 1.885 -3.743 1.00 0.00 C ATOM 1438 CG1 ILE A 98 9.744 1.613 -2.678 1.00 0.00 C ATOM 1439 CG2 ILE A 98 8.022 0.559 -4.167 1.00 0.00 C ATOM 1440 CD1 ILE A 98 9.142 0.790 -1.537 1.00 0.00 C ATOM 0 H ILE A 98 9.807 0.666 -5.628 1.00 0.00 H new ATOM 0 HA ILE A 98 8.447 3.119 -5.475 1.00 0.00 H new ATOM 0 HB ILE A 98 7.909 2.542 -3.309 1.00 0.00 H new ATOM 0 HG12 ILE A 98 10.582 1.077 -3.124 1.00 0.00 H new ATOM 0 HG13 ILE A 98 10.136 2.555 -2.294 1.00 0.00 H new ATOM 0 HG21 ILE A 98 7.599 0.063 -3.293 1.00 0.00 H new ATOM 0 HG22 ILE A 98 7.232 0.752 -4.892 1.00 0.00 H new ATOM 0 HG23 ILE A 98 8.779 -0.083 -4.618 1.00 0.00 H new ATOM 0 HD11 ILE A 98 9.907 0.598 -0.784 1.00 0.00 H new ATOM 0 HD12 ILE A 98 8.318 1.343 -1.085 1.00 0.00 H new ATOM 0 HD13 ILE A 98 8.772 -0.158 -1.928 1.00 0.00 H new ATOM 1452 N ARG A 99 11.601 3.152 -4.622 1.00 0.00 N ATOM 1453 CA ARG A 99 12.677 4.053 -4.235 1.00 0.00 C ATOM 1454 C ARG A 99 12.747 5.188 -5.236 1.00 0.00 C ATOM 1455 O ARG A 99 13.259 6.261 -4.935 1.00 0.00 O ATOM 1456 CB ARG A 99 14.041 3.322 -4.115 1.00 0.00 C ATOM 1457 CG ARG A 99 14.382 3.047 -2.634 1.00 0.00 C ATOM 1458 CD ARG A 99 14.484 4.370 -1.840 1.00 0.00 C ATOM 1459 NE ARG A 99 15.581 4.299 -0.882 1.00 0.00 N ATOM 1460 CZ ARG A 99 15.926 5.357 -0.156 1.00 0.00 C ATOM 1461 NH1 ARG A 99 15.277 6.480 -0.290 1.00 0.00 N ATOM 1462 NH2 ARG A 99 16.915 5.273 0.692 1.00 0.00 N ATOM 0 H ARG A 99 11.892 2.220 -4.917 1.00 0.00 H new ATOM 0 HA ARG A 99 12.460 4.451 -3.244 1.00 0.00 H new ATOM 0 HB2 ARG A 99 14.006 2.382 -4.666 1.00 0.00 H new ATOM 0 HB3 ARG A 99 14.826 3.928 -4.568 1.00 0.00 H new ATOM 0 HG2 ARG A 99 13.616 2.410 -2.192 1.00 0.00 H new ATOM 0 HG3 ARG A 99 15.325 2.504 -2.568 1.00 0.00 H new ATOM 0 HD2 ARG A 99 14.643 5.203 -2.525 1.00 0.00 H new ATOM 0 HD3 ARG A 99 13.547 4.562 -1.317 1.00 0.00 H new ATOM 0 HE ARG A 99 16.092 3.423 -0.767 1.00 0.00 H new ATOM 0 HH11 ARG A 99 14.504 6.546 -0.952 1.00 0.00 H new ATOM 0 HH12 ARG A 99 15.542 7.292 0.268 1.00 0.00 H new ATOM 0 HH21 ARG A 99 17.423 4.395 0.797 1.00 0.00 H new ATOM 0 HH22 ARG A 99 17.180 6.085 1.249 1.00 0.00 H new ATOM 1476 N ALA A 100 12.185 4.964 -6.410 1.00 0.00 N ATOM 1477 CA ALA A 100 12.146 6.009 -7.407 1.00 0.00 C ATOM 1478 C ALA A 100 11.114 7.015 -6.955 1.00 0.00 C ATOM 1479 O ALA A 100 11.351 8.214 -7.013 1.00 0.00 O ATOM 1480 CB ALA A 100 11.770 5.440 -8.778 1.00 0.00 C ATOM 0 H ALA A 100 11.757 4.082 -6.690 1.00 0.00 H new ATOM 0 HA ALA A 100 13.126 6.475 -7.509 1.00 0.00 H new ATOM 0 HB1 ALA A 100 11.747 6.245 -9.512 1.00 0.00 H new ATOM 0 HB2 ALA A 100 12.508 4.696 -9.078 1.00 0.00 H new ATOM 0 HB3 ALA A 100 10.787 4.973 -8.721 1.00 0.00 H new ATOM 1486 N TYR A 101 9.985 6.514 -6.452 1.00 0.00 N ATOM 1487 CA TYR A 101 8.943 7.400 -5.948 1.00 0.00 C ATOM 1488 C TYR A 101 9.378 7.960 -4.586 1.00 0.00 C ATOM 1489 O TYR A 101 9.189 9.134 -4.292 1.00 0.00 O ATOM 1490 CB TYR A 101 7.590 6.638 -5.851 1.00 0.00 C ATOM 1491 CG TYR A 101 6.821 7.031 -4.596 1.00 0.00 C ATOM 1492 CD1 TYR A 101 6.311 8.333 -4.455 1.00 0.00 C ATOM 1493 CD2 TYR A 101 6.637 6.096 -3.568 1.00 0.00 C ATOM 1494 CE1 TYR A 101 5.622 8.692 -3.289 1.00 0.00 C ATOM 1495 CE2 TYR A 101 5.944 6.457 -2.407 1.00 0.00 C ATOM 1496 CZ TYR A 101 5.438 7.754 -2.267 1.00 0.00 C ATOM 1497 OH TYR A 101 4.759 8.109 -1.118 1.00 0.00 O ATOM 0 H TYR A 101 9.774 5.518 -6.384 1.00 0.00 H new ATOM 0 HA TYR A 101 8.797 8.234 -6.635 1.00 0.00 H new ATOM 0 HB2 TYR A 101 6.986 6.853 -6.732 1.00 0.00 H new ATOM 0 HB3 TYR A 101 7.775 5.564 -5.845 1.00 0.00 H new ATOM 0 HD1 TYR A 101 6.450 9.056 -5.245 1.00 0.00 H new ATOM 0 HD2 TYR A 101 7.031 5.096 -3.672 1.00 0.00 H new ATOM 0 HE1 TYR A 101 5.233 9.693 -3.179 1.00 0.00 H new ATOM 0 HE2 TYR A 101 5.800 5.734 -1.618 1.00 0.00 H new ATOM 0 HH TYR A 101 4.719 7.341 -0.511 1.00 0.00 H new ATOM 1507 N ASN A 102 9.971 7.114 -3.760 1.00 0.00 N ATOM 1508 CA ASN A 102 10.421 7.562 -2.450 1.00 0.00 C ATOM 1509 C ASN A 102 11.537 8.582 -2.607 1.00 0.00 C ATOM 1510 O ASN A 102 11.518 9.628 -1.985 1.00 0.00 O ATOM 1511 CB ASN A 102 10.911 6.362 -1.614 1.00 0.00 C ATOM 1512 CG ASN A 102 10.714 6.635 -0.126 1.00 0.00 C ATOM 1513 OD1 ASN A 102 11.635 7.089 0.552 1.00 0.00 O ATOM 1514 ND2 ASN A 102 9.560 6.381 0.421 1.00 0.00 N ATOM 0 H ASN A 102 10.150 6.131 -3.966 1.00 0.00 H new ATOM 0 HA ASN A 102 9.584 8.029 -1.931 1.00 0.00 H new ATOM 0 HB2 ASN A 102 10.365 5.463 -1.901 1.00 0.00 H new ATOM 0 HB3 ASN A 102 11.965 6.174 -1.819 1.00 0.00 H new ATOM 0 HD21 ASN A 102 9.417 6.558 1.415 1.00 0.00 H new ATOM 0 HD22 ASN A 102 8.799 6.005 -0.145 1.00 0.00 H new ATOM 1521 N GLN A 103 12.505 8.271 -3.445 1.00 0.00 N ATOM 1522 CA GLN A 103 13.625 9.176 -3.659 1.00 0.00 C ATOM 1523 C GLN A 103 13.208 10.385 -4.480 1.00 0.00 C ATOM 1524 O GLN A 103 13.589 11.514 -4.169 1.00 0.00 O ATOM 1525 CB GLN A 103 14.737 8.445 -4.396 1.00 0.00 C ATOM 1526 CG GLN A 103 16.012 9.308 -4.443 1.00 0.00 C ATOM 1527 CD GLN A 103 17.243 8.422 -4.631 1.00 0.00 C ATOM 1528 OE1 GLN A 103 18.289 8.679 -4.034 1.00 0.00 O ATOM 1529 NE2 GLN A 103 17.179 7.390 -5.425 1.00 0.00 N ATOM 0 H GLN A 103 12.543 7.407 -3.986 1.00 0.00 H new ATOM 0 HA GLN A 103 13.973 9.517 -2.684 1.00 0.00 H new ATOM 0 HB2 GLN A 103 14.950 7.499 -3.899 1.00 0.00 H new ATOM 0 HB3 GLN A 103 14.414 8.207 -5.410 1.00 0.00 H new ATOM 0 HG2 GLN A 103 15.944 10.026 -5.260 1.00 0.00 H new ATOM 0 HG3 GLN A 103 16.105 9.882 -3.521 1.00 0.00 H new ATOM 0 HE21 GLN A 103 16.312 7.179 -5.918 1.00 0.00 H new ATOM 0 HE22 GLN A 103 17.996 6.793 -5.553 1.00 0.00 H new ATOM 1538 N LYS A 104 12.442 10.149 -5.541 1.00 0.00 N ATOM 1539 CA LYS A 104 12.017 11.257 -6.391 1.00 0.00 C ATOM 1540 C LYS A 104 11.326 12.318 -5.556 1.00 0.00 C ATOM 1541 O LYS A 104 11.630 13.507 -5.647 1.00 0.00 O ATOM 1542 CB LYS A 104 11.034 10.800 -7.485 1.00 0.00 C ATOM 1543 CG LYS A 104 10.394 12.034 -8.181 1.00 0.00 C ATOM 1544 CD LYS A 104 10.071 11.708 -9.644 1.00 0.00 C ATOM 1545 CE LYS A 104 9.306 12.874 -10.272 1.00 0.00 C ATOM 1546 NZ LYS A 104 10.212 14.050 -10.401 1.00 0.00 N ATOM 0 H LYS A 104 12.110 9.228 -5.828 1.00 0.00 H new ATOM 0 HA LYS A 104 12.915 11.655 -6.864 1.00 0.00 H new ATOM 0 HB2 LYS A 104 11.556 10.188 -8.221 1.00 0.00 H new ATOM 0 HB3 LYS A 104 10.255 10.176 -7.047 1.00 0.00 H new ATOM 0 HG2 LYS A 104 9.484 12.325 -7.656 1.00 0.00 H new ATOM 0 HG3 LYS A 104 11.076 12.883 -8.132 1.00 0.00 H new ATOM 0 HD2 LYS A 104 10.991 11.523 -10.198 1.00 0.00 H new ATOM 0 HD3 LYS A 104 9.476 10.796 -9.701 1.00 0.00 H new ATOM 0 HE2 LYS A 104 8.924 12.587 -11.252 1.00 0.00 H new ATOM 0 HE3 LYS A 104 8.444 13.131 -9.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 9.764 14.769 -11.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 10.394 14.453 -9.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 11.111 13.750 -10.829 1.00 0.00 H new ATOM 1560 N TYR A 105 10.348 11.867 -4.789 1.00 0.00 N ATOM 1561 CA TYR A 105 9.537 12.748 -3.977 1.00 0.00 C ATOM 1562 C TYR A 105 10.068 12.897 -2.558 1.00 0.00 C ATOM 1563 O TYR A 105 9.728 13.859 -1.868 1.00 0.00 O ATOM 1564 CB TYR A 105 8.133 12.168 -3.935 1.00 0.00 C ATOM 1565 CG TYR A 105 7.542 12.242 -5.323 1.00 0.00 C ATOM 1566 CD1 TYR A 105 6.876 13.386 -5.708 1.00 0.00 C ATOM 1567 CD2 TYR A 105 7.677 11.178 -6.220 1.00 0.00 C ATOM 1568 CE1 TYR A 105 6.329 13.486 -6.991 1.00 0.00 C ATOM 1569 CE2 TYR A 105 7.131 11.267 -7.505 1.00 0.00 C ATOM 1570 CZ TYR A 105 6.455 12.424 -7.892 1.00 0.00 C ATOM 1571 OH TYR A 105 5.915 12.522 -9.159 1.00 0.00 O ATOM 0 H TYR A 105 10.097 10.881 -4.714 1.00 0.00 H new ATOM 0 HA TYR A 105 9.553 13.743 -4.421 1.00 0.00 H new ATOM 0 HB2 TYR A 105 8.160 11.135 -3.590 1.00 0.00 H new ATOM 0 HB3 TYR A 105 7.515 12.724 -3.230 1.00 0.00 H new ATOM 0 HD1 TYR A 105 6.776 14.209 -5.016 1.00 0.00 H new ATOM 0 HD2 TYR A 105 8.204 10.285 -5.920 1.00 0.00 H new ATOM 0 HE1 TYR A 105 5.808 14.385 -7.287 1.00 0.00 H new ATOM 0 HE2 TYR A 105 7.233 10.442 -8.195 1.00 0.00 H new ATOM 0 HH TYR A 105 6.094 11.696 -9.656 1.00 0.00 H new ATOM 1581 N GLY A 106 10.889 11.950 -2.110 1.00 0.00 N ATOM 1582 CA GLY A 106 11.434 12.016 -0.749 1.00 0.00 C ATOM 1583 C GLY A 106 12.893 12.459 -0.765 1.00 0.00 C ATOM 1584 O GLY A 106 13.661 11.873 -1.510 1.00 0.00 O ATOM 1585 OXT GLY A 106 13.220 13.379 -0.033 1.00 0.00 O ATOM 0 H GLY A 106 11.189 11.141 -2.654 1.00 0.00 H new ATOM 0 HA2 GLY A 106 10.846 12.712 -0.151 1.00 0.00 H new ATOM 0 HA3 GLY A 106 11.352 11.039 -0.273 1.00 0.00 H new