USER MOD reduce.3.24.130724 H: found=0, std=0, add=723, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 722 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 40 HIS : no HE2:sc= -14.6! C(o=-26!,f=-35!) USER MOD Set 1.2: A 60 MET CE :methyl -142:sc= -11.5! (180deg=-6.84!) USER MOD Single : A 21 ASN : amide:sc= -2.42! C(o=-2.4!,f=-3.6!) USER MOD Single : A 22 TYR OH : rot 30:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.0822 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -0.0922 K(o=-0.092,f=-1.1!) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot -72:sc= 1.11 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= -0.405 K(o=-0.4,f=-0.94) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 81:sc= 0.486 USER MOD Single : A 53 SER OG : rot 180:sc= 0.0672 USER MOD Single : A 54 SER OG : rot 58:sc= 1.06 USER MOD Single : A 55 SER OG : rot -92:sc= -1.54! USER MOD Single : A 64 ASN : amide:sc=-0.00565 X(o=-0.0056,f=-0.38) USER MOD Single : A 70 MET CE :methyl 144:sc= -1.91 (180deg=-3.96!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot -137:sc= -0.027 USER MOD Single : A 76 HIS : no HD1:sc= -1.11 X(o=-1.1,f=-0.85) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= -0.0826 K(o=-0.083,f=-1.1) USER MOD Single : A 80 THR OG1 : rot 180:sc=0.000308 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 43:sc= 0.653 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 CYS SG : rot 180:sc= -2.58 USER MOD Single : A 96 ASN : amide:sc= -3.93! K(o=-3.9!,f=-1.4) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ -120:sc= 0.228 (180deg=-0.369) USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 ASN : amide:sc= -4.16 K(o=-4.2,f=-2.1) USER MOD ----------------------------------------------------------------- ATOM 263 N ASN A 21 -0.806 5.685 -6.180 1.00 0.00 N ATOM 264 CA ASN A 21 -0.892 7.055 -5.701 1.00 0.00 C ATOM 265 C ASN A 21 -0.623 7.082 -4.195 1.00 0.00 C ATOM 266 O ASN A 21 0.209 7.856 -3.724 1.00 0.00 O ATOM 267 CB ASN A 21 -2.287 7.635 -5.942 1.00 0.00 C ATOM 268 CG ASN A 21 -2.264 9.163 -5.875 1.00 0.00 C ATOM 269 OD1 ASN A 21 -1.224 9.798 -5.942 1.00 0.00 O ATOM 270 ND2 ASN A 21 -3.466 9.717 -5.740 1.00 0.00 N ATOM 0 HA ASN A 21 -0.155 7.649 -6.242 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -2.654 7.316 -6.917 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -2.981 7.245 -5.197 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -3.557 10.732 -5.686 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -4.297 9.127 -5.690 1.00 0.00 H new ATOM 277 N TYR A 22 -1.341 6.227 -3.482 1.00 0.00 N ATOM 278 CA TYR A 22 -1.190 6.143 -2.040 1.00 0.00 C ATOM 279 C TYR A 22 -1.590 4.759 -1.526 1.00 0.00 C ATOM 280 O TYR A 22 -2.657 4.251 -1.865 1.00 0.00 O ATOM 281 CB TYR A 22 -2.145 7.186 -1.454 1.00 0.00 C ATOM 282 CG TYR A 22 -3.618 6.931 -1.777 1.00 0.00 C ATOM 283 CD1 TYR A 22 -4.327 5.986 -1.063 1.00 0.00 C ATOM 284 CD2 TYR A 22 -4.239 7.646 -2.781 1.00 0.00 C ATOM 285 CE1 TYR A 22 -5.714 5.746 -1.366 1.00 0.00 C ATOM 286 CE2 TYR A 22 -5.626 7.406 -3.084 1.00 0.00 C ATOM 287 CZ TYR A 22 -6.295 6.468 -2.362 1.00 0.00 C ATOM 288 OH TYR A 22 -7.605 6.241 -2.648 1.00 0.00 O ATOM 0 H TYR A 22 -2.029 5.586 -3.877 1.00 0.00 H new ATOM 0 HA TYR A 22 -0.153 6.317 -1.753 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -2.020 7.211 -0.371 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -1.866 8.171 -1.830 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -3.841 5.427 -0.277 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -3.684 8.386 -3.339 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -6.280 5.010 -0.815 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -6.124 7.959 -3.867 1.00 0.00 H new ATOM 0 HH TYR A 22 -8.072 5.953 -1.836 1.00 0.00 H new ATOM 298 N THR A 23 -0.711 4.187 -0.716 1.00 0.00 N ATOM 299 CA THR A 23 -0.959 2.871 -0.152 1.00 0.00 C ATOM 300 C THR A 23 -1.759 2.989 1.147 1.00 0.00 C ATOM 301 O THR A 23 -1.713 4.020 1.817 1.00 0.00 O ATOM 302 CB THR A 23 0.391 2.172 0.028 1.00 0.00 C ATOM 303 OG1 THR A 23 1.281 3.224 0.390 1.00 0.00 O ATOM 304 CG2 THR A 23 0.956 1.643 -1.292 1.00 0.00 C ATOM 0 H THR A 23 0.174 4.611 -0.437 1.00 0.00 H new ATOM 0 HA THR A 23 -1.570 2.264 -0.820 1.00 0.00 H new ATOM 0 HB THR A 23 0.282 1.348 0.733 1.00 0.00 H new ATOM 0 HG1 THR A 23 2.180 2.859 0.528 1.00 0.00 H new ATOM 0 HG21 THR A 23 1.914 1.156 -1.109 1.00 0.00 H new ATOM 0 HG22 THR A 23 0.260 0.923 -1.723 1.00 0.00 H new ATOM 0 HG23 THR A 23 1.097 2.472 -1.986 1.00 0.00 H new ATOM 312 N TRP A 24 -2.474 1.920 1.463 1.00 0.00 N ATOM 313 CA TRP A 24 -3.283 1.891 2.669 1.00 0.00 C ATOM 314 C TRP A 24 -3.589 0.428 2.999 1.00 0.00 C ATOM 315 O TRP A 24 -3.429 -0.449 2.151 1.00 0.00 O ATOM 316 CB TRP A 24 -4.544 2.742 2.505 1.00 0.00 C ATOM 317 CG TRP A 24 -5.694 2.022 1.798 1.00 0.00 C ATOM 318 CD1 TRP A 24 -5.928 1.934 0.482 1.00 0.00 C ATOM 319 CD2 TRP A 24 -6.764 1.286 2.429 1.00 0.00 C ATOM 320 NE1 TRP A 24 -7.066 1.199 0.218 1.00 0.00 N ATOM 321 CE2 TRP A 24 -7.590 0.792 1.440 1.00 0.00 C ATOM 322 CE3 TRP A 24 -7.024 1.045 3.789 1.00 0.00 C ATOM 323 CZ2 TRP A 24 -8.732 0.028 1.706 1.00 0.00 C ATOM 324 CZ3 TRP A 24 -8.169 0.279 4.039 1.00 0.00 C ATOM 325 CH2 TRP A 24 -9.012 -0.225 3.055 1.00 0.00 C ATOM 0 H TRP A 24 -2.510 1.067 0.905 1.00 0.00 H new ATOM 0 HA TRP A 24 -2.741 2.331 3.506 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -4.882 3.065 3.490 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -4.292 3.641 1.943 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -5.304 2.382 -0.277 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -7.452 0.992 -0.703 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -6.391 1.421 4.579 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -9.363 -0.346 0.914 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -8.415 0.065 5.069 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -9.878 -0.809 3.329 1.00 0.00 H new ATOM 336 N SER A 25 -4.024 0.210 4.231 1.00 0.00 N ATOM 337 CA SER A 25 -4.354 -1.131 4.682 1.00 0.00 C ATOM 338 C SER A 25 -5.408 -1.066 5.789 1.00 0.00 C ATOM 339 O SER A 25 -5.809 0.019 6.207 1.00 0.00 O ATOM 340 CB SER A 25 -3.107 -1.867 5.179 1.00 0.00 C ATOM 341 OG SER A 25 -2.369 -1.092 6.119 1.00 0.00 O ATOM 0 H SER A 25 -4.156 0.940 4.931 1.00 0.00 H new ATOM 0 HA SER A 25 -4.758 -1.687 3.836 1.00 0.00 H new ATOM 0 HB2 SER A 25 -3.402 -2.810 5.639 1.00 0.00 H new ATOM 0 HB3 SER A 25 -2.468 -2.112 4.330 1.00 0.00 H new ATOM 0 HG SER A 25 -1.582 -1.597 6.413 1.00 0.00 H new ATOM 347 N GLN A 26 -5.826 -2.242 6.233 1.00 0.00 N ATOM 348 CA GLN A 26 -6.826 -2.333 7.284 1.00 0.00 C ATOM 349 C GLN A 26 -6.508 -3.501 8.220 1.00 0.00 C ATOM 350 O GLN A 26 -6.457 -4.651 7.787 1.00 0.00 O ATOM 351 CB GLN A 26 -8.231 -2.470 6.694 1.00 0.00 C ATOM 352 CG GLN A 26 -8.212 -3.324 5.424 1.00 0.00 C ATOM 353 CD GLN A 26 -9.633 -3.630 4.948 1.00 0.00 C ATOM 354 OE1 GLN A 26 -10.329 -2.788 4.405 1.00 0.00 O ATOM 355 NE2 GLN A 26 -10.023 -4.880 5.180 1.00 0.00 N ATOM 0 H GLN A 26 -5.491 -3.140 5.884 1.00 0.00 H new ATOM 0 HA GLN A 26 -6.800 -1.411 7.864 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -8.896 -2.922 7.430 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -8.632 -1.482 6.466 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -7.666 -2.802 4.638 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -7.680 -4.256 5.616 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -9.390 -5.535 5.639 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -10.955 -5.184 4.899 1.00 0.00 H new ATOM 364 N ASP A 27 -6.304 -3.165 9.485 1.00 0.00 N ATOM 365 CA ASP A 27 -5.992 -4.172 10.485 1.00 0.00 C ATOM 366 C ASP A 27 -6.853 -3.933 11.727 1.00 0.00 C ATOM 367 O ASP A 27 -6.956 -2.806 12.209 1.00 0.00 O ATOM 368 CB ASP A 27 -4.523 -4.094 10.906 1.00 0.00 C ATOM 369 CG ASP A 27 -3.592 -3.440 9.884 1.00 0.00 C ATOM 370 OD1 ASP A 27 -3.645 -2.195 9.783 1.00 0.00 O ATOM 371 OD2 ASP A 27 -2.847 -4.199 9.228 1.00 0.00 O ATOM 0 H ASP A 27 -6.349 -2.210 9.840 1.00 0.00 H new ATOM 0 HA ASP A 27 -6.191 -5.152 10.051 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -4.458 -3.539 11.842 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -4.164 -5.103 11.108 1.00 0.00 H new ATOM 376 N TYR A 28 -7.450 -5.013 12.211 1.00 0.00 N ATOM 377 CA TYR A 28 -8.299 -4.936 13.388 1.00 0.00 C ATOM 378 C TYR A 28 -9.542 -4.088 13.112 1.00 0.00 C ATOM 379 O TYR A 28 -10.650 -4.616 13.022 1.00 0.00 O ATOM 380 CB TYR A 28 -7.460 -4.251 14.468 1.00 0.00 C ATOM 381 CG TYR A 28 -7.333 -5.059 15.762 1.00 0.00 C ATOM 382 CD1 TYR A 28 -8.400 -5.137 16.634 1.00 0.00 C ATOM 383 CD2 TYR A 28 -6.152 -5.709 16.057 1.00 0.00 C ATOM 384 CE1 TYR A 28 -8.280 -5.896 17.851 1.00 0.00 C ATOM 385 CE2 TYR A 28 -6.033 -6.469 17.274 1.00 0.00 C ATOM 386 CZ TYR A 28 -7.103 -6.525 18.111 1.00 0.00 C ATOM 387 OH TYR A 28 -6.990 -7.243 19.261 1.00 0.00 O ATOM 0 H TYR A 28 -7.362 -5.946 11.809 1.00 0.00 H new ATOM 0 HA TYR A 28 -8.634 -5.930 13.686 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -6.463 -4.059 14.072 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -7.903 -3.282 14.698 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -9.325 -4.629 16.403 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -5.317 -5.648 15.375 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -9.107 -5.964 18.543 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -5.115 -6.983 17.517 1.00 0.00 H new ATOM 0 HH TYR A 28 -6.095 -7.638 19.313 1.00 0.00 H new ATOM 397 N THR A 29 -9.318 -2.789 12.984 1.00 0.00 N ATOM 398 CA THR A 29 -10.406 -1.864 12.720 1.00 0.00 C ATOM 399 C THR A 29 -9.874 -0.434 12.598 1.00 0.00 C ATOM 400 O THR A 29 -10.267 0.446 13.362 1.00 0.00 O ATOM 401 CB THR A 29 -11.448 -2.031 13.828 1.00 0.00 C ATOM 402 OG1 THR A 29 -12.263 -0.867 13.717 1.00 0.00 O ATOM 403 CG2 THR A 29 -10.838 -1.928 15.227 1.00 0.00 C ATOM 0 H THR A 29 -8.398 -2.355 13.058 1.00 0.00 H new ATOM 0 HA THR A 29 -10.886 -2.081 11.766 1.00 0.00 H new ATOM 0 HB THR A 29 -11.942 -2.997 13.719 1.00 0.00 H new ATOM 0 HG1 THR A 29 -11.761 -0.085 14.029 1.00 0.00 H new ATOM 0 HG21 THR A 29 -11.621 -2.054 15.975 1.00 0.00 H new ATOM 0 HG22 THR A 29 -10.086 -2.707 15.354 1.00 0.00 H new ATOM 0 HG23 THR A 29 -10.372 -0.950 15.350 1.00 0.00 H new ATOM 411 N ASP A 30 -8.986 -0.248 11.632 1.00 0.00 N ATOM 412 CA ASP A 30 -8.396 1.059 11.401 1.00 0.00 C ATOM 413 C ASP A 30 -8.006 1.184 9.926 1.00 0.00 C ATOM 414 O ASP A 30 -8.041 0.202 9.186 1.00 0.00 O ATOM 415 CB ASP A 30 -7.132 1.249 12.242 1.00 0.00 C ATOM 416 CG ASP A 30 -6.806 2.701 12.600 1.00 0.00 C ATOM 417 OD1 ASP A 30 -7.515 3.242 13.475 1.00 0.00 O ATOM 418 OD2 ASP A 30 -5.855 3.236 11.990 1.00 0.00 O ATOM 0 H ASP A 30 -8.661 -0.981 11.001 1.00 0.00 H new ATOM 0 HA ASP A 30 -9.131 1.815 11.679 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -7.238 0.678 13.164 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -6.286 0.825 11.700 1.00 0.00 H new ATOM 423 N LEU A 31 -7.644 2.400 9.544 1.00 0.00 N ATOM 424 CA LEU A 31 -7.248 2.666 8.172 1.00 0.00 C ATOM 425 C LEU A 31 -5.957 3.487 8.168 1.00 0.00 C ATOM 426 O LEU A 31 -5.988 4.699 8.379 1.00 0.00 O ATOM 427 CB LEU A 31 -8.395 3.319 7.400 1.00 0.00 C ATOM 428 CG LEU A 31 -9.769 2.663 7.556 1.00 0.00 C ATOM 429 CD1 LEU A 31 -10.670 3.489 8.476 1.00 0.00 C ATOM 430 CD2 LEU A 31 -10.416 2.414 6.192 1.00 0.00 C ATOM 0 H LEU A 31 -7.617 3.212 10.161 1.00 0.00 H new ATOM 0 HA LEU A 31 -7.034 1.733 7.650 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -8.473 4.359 7.716 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -8.136 3.326 6.341 1.00 0.00 H new ATOM 0 HG LEU A 31 -9.631 1.691 8.029 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -11.640 3.001 8.570 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -10.208 3.571 9.460 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -10.805 4.485 8.055 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -11.391 1.947 6.332 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -10.539 3.362 5.669 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -9.779 1.755 5.602 1.00 0.00 H new ATOM 442 N GLU A 32 -4.853 2.796 7.925 1.00 0.00 N ATOM 443 CA GLU A 32 -3.555 3.447 7.891 1.00 0.00 C ATOM 444 C GLU A 32 -3.074 3.597 6.446 1.00 0.00 C ATOM 445 O GLU A 32 -2.727 2.611 5.798 1.00 0.00 O ATOM 446 CB GLU A 32 -2.534 2.677 8.731 1.00 0.00 C ATOM 447 CG GLU A 32 -2.149 3.466 9.984 1.00 0.00 C ATOM 448 CD GLU A 32 -2.070 2.549 11.207 1.00 0.00 C ATOM 449 OE1 GLU A 32 -1.427 1.485 11.078 1.00 0.00 O ATOM 450 OE2 GLU A 32 -2.654 2.934 12.243 1.00 0.00 O ATOM 0 H GLU A 32 -4.831 1.791 7.750 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.658 4.442 8.324 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -2.949 1.711 9.018 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -1.644 2.477 8.135 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -1.187 3.955 9.829 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.882 4.253 10.162 1.00 0.00 H new ATOM 457 N VAL A 33 -3.069 4.838 5.984 1.00 0.00 N ATOM 458 CA VAL A 33 -2.637 5.130 4.628 1.00 0.00 C ATOM 459 C VAL A 33 -1.336 5.934 4.674 1.00 0.00 C ATOM 460 O VAL A 33 -1.269 6.978 5.320 1.00 0.00 O ATOM 461 CB VAL A 33 -3.754 5.846 3.865 1.00 0.00 C ATOM 462 CG1 VAL A 33 -4.598 6.705 4.808 1.00 0.00 C ATOM 463 CG2 VAL A 33 -3.185 6.685 2.719 1.00 0.00 C ATOM 0 H VAL A 33 -3.357 5.653 6.525 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.431 4.207 4.086 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.405 5.086 3.432 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -5.384 7.203 4.241 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -5.048 6.072 5.573 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -3.964 7.454 5.283 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -4.000 7.183 2.193 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -2.501 7.433 3.120 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.648 6.037 2.026 1.00 0.00 H new ATOM 473 N ARG A 34 -0.333 5.415 3.980 1.00 0.00 N ATOM 474 CA ARG A 34 0.963 6.071 3.933 1.00 0.00 C ATOM 475 C ARG A 34 1.227 6.626 2.532 1.00 0.00 C ATOM 476 O ARG A 34 1.082 5.913 1.541 1.00 0.00 O ATOM 477 CB ARG A 34 2.085 5.101 4.310 1.00 0.00 C ATOM 478 CG ARG A 34 2.201 4.960 5.829 1.00 0.00 C ATOM 479 CD ARG A 34 3.016 3.721 6.204 1.00 0.00 C ATOM 480 NE ARG A 34 2.604 3.229 7.538 1.00 0.00 N ATOM 481 CZ ARG A 34 3.168 2.185 8.160 1.00 0.00 C ATOM 482 NH1 ARG A 34 4.169 1.516 7.573 1.00 0.00 N ATOM 483 NH2 ARG A 34 2.729 1.810 9.370 1.00 0.00 N ATOM 0 H ARG A 34 -0.392 4.548 3.446 1.00 0.00 H new ATOM 0 HA ARG A 34 0.947 6.888 4.654 1.00 0.00 H new ATOM 0 HB2 ARG A 34 1.892 4.125 3.864 1.00 0.00 H new ATOM 0 HB3 ARG A 34 3.031 5.457 3.901 1.00 0.00 H new ATOM 0 HG2 ARG A 34 2.673 5.850 6.245 1.00 0.00 H new ATOM 0 HG3 ARG A 34 1.206 4.892 6.269 1.00 0.00 H new ATOM 0 HD2 ARG A 34 2.870 2.940 5.458 1.00 0.00 H new ATOM 0 HD3 ARG A 34 4.079 3.962 6.209 1.00 0.00 H new ATOM 0 HE ARG A 34 1.843 3.715 8.013 1.00 0.00 H new ATOM 0 HH11 ARG A 34 4.502 1.801 6.652 1.00 0.00 H new ATOM 0 HH12 ARG A 34 4.598 0.721 8.047 1.00 0.00 H new ATOM 0 HH21 ARG A 34 1.966 2.319 9.816 1.00 0.00 H new ATOM 0 HH22 ARG A 34 3.158 1.015 9.844 1.00 0.00 H new ATOM 497 N VAL A 35 1.609 7.894 2.495 1.00 0.00 N ATOM 498 CA VAL A 35 1.895 8.553 1.232 1.00 0.00 C ATOM 499 C VAL A 35 3.396 8.832 1.135 1.00 0.00 C ATOM 500 O VAL A 35 4.001 9.334 2.082 1.00 0.00 O ATOM 501 CB VAL A 35 1.042 9.816 1.097 1.00 0.00 C ATOM 502 CG1 VAL A 35 1.087 10.357 -0.334 1.00 0.00 C ATOM 503 CG2 VAL A 35 -0.398 9.556 1.540 1.00 0.00 C ATOM 0 H VAL A 35 1.727 8.483 3.320 1.00 0.00 H new ATOM 0 HA VAL A 35 1.630 7.907 0.395 1.00 0.00 H new ATOM 0 HB VAL A 35 1.462 10.576 1.756 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.473 11.255 -0.403 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.116 10.600 -0.599 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.704 9.602 -1.021 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.982 10.470 1.434 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.834 8.773 0.920 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -0.406 9.239 2.583 1.00 0.00 H new ATOM 513 N PRO A 36 3.970 8.485 -0.048 1.00 0.00 N ATOM 514 CA PRO A 36 5.389 8.692 -0.281 1.00 0.00 C ATOM 515 C PRO A 36 5.694 10.171 -0.527 1.00 0.00 C ATOM 516 O PRO A 36 4.938 10.859 -1.213 1.00 0.00 O ATOM 517 CB PRO A 36 5.725 7.810 -1.473 1.00 0.00 C ATOM 518 CG PRO A 36 4.399 7.502 -2.150 1.00 0.00 C ATOM 519 CD PRO A 36 3.285 7.888 -1.191 1.00 0.00 C ATOM 0 HA PRO A 36 6.000 8.424 0.581 1.00 0.00 H new ATOM 0 HB2 PRO A 36 6.404 8.320 -2.157 1.00 0.00 H new ATOM 0 HB3 PRO A 36 6.222 6.894 -1.153 1.00 0.00 H new ATOM 0 HG2 PRO A 36 4.309 8.058 -3.083 1.00 0.00 H new ATOM 0 HG3 PRO A 36 4.336 6.443 -2.402 1.00 0.00 H new ATOM 0 HD2 PRO A 36 2.593 8.594 -1.651 1.00 0.00 H new ATOM 0 HD3 PRO A 36 2.701 7.018 -0.892 1.00 0.00 H new ATOM 527 N VAL A 37 6.802 10.617 0.045 1.00 0.00 N ATOM 528 CA VAL A 37 7.216 12.002 -0.104 1.00 0.00 C ATOM 529 C VAL A 37 8.630 12.047 -0.686 1.00 0.00 C ATOM 530 O VAL A 37 9.373 11.071 -0.598 1.00 0.00 O ATOM 531 CB VAL A 37 7.098 12.730 1.237 1.00 0.00 C ATOM 532 CG1 VAL A 37 5.660 12.691 1.757 1.00 0.00 C ATOM 533 CG2 VAL A 37 8.069 12.147 2.265 1.00 0.00 C ATOM 0 H VAL A 37 7.426 10.044 0.613 1.00 0.00 H new ATOM 0 HA VAL A 37 6.561 12.524 -0.801 1.00 0.00 H new ATOM 0 HB VAL A 37 7.368 13.774 1.076 1.00 0.00 H new ATOM 0 HG11 VAL A 37 5.604 13.215 2.711 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.000 13.175 1.037 1.00 0.00 H new ATOM 0 HG13 VAL A 37 5.350 11.655 1.894 1.00 0.00 H new ATOM 0 HG21 VAL A 37 7.965 12.682 3.209 1.00 0.00 H new ATOM 0 HG22 VAL A 37 7.845 11.092 2.420 1.00 0.00 H new ATOM 0 HG23 VAL A 37 9.091 12.251 1.900 1.00 0.00 H new ATOM 543 N PRO A 38 8.969 13.222 -1.283 1.00 0.00 N ATOM 544 CA PRO A 38 10.280 13.407 -1.880 1.00 0.00 C ATOM 545 C PRO A 38 11.349 13.607 -0.803 1.00 0.00 C ATOM 546 O PRO A 38 11.036 13.659 0.385 1.00 0.00 O ATOM 547 CB PRO A 38 10.129 14.610 -2.796 1.00 0.00 C ATOM 548 CG PRO A 38 8.877 15.334 -2.331 1.00 0.00 C ATOM 549 CD PRO A 38 8.115 14.399 -1.406 1.00 0.00 C ATOM 0 HA PRO A 38 10.613 12.534 -2.442 1.00 0.00 H new ATOM 0 HB2 PRO A 38 11.002 15.260 -2.734 1.00 0.00 H new ATOM 0 HB3 PRO A 38 10.037 14.299 -3.837 1.00 0.00 H new ATOM 0 HG2 PRO A 38 9.140 16.255 -1.811 1.00 0.00 H new ATOM 0 HG3 PRO A 38 8.259 15.615 -3.184 1.00 0.00 H new ATOM 0 HD2 PRO A 38 7.936 14.861 -0.435 1.00 0.00 H new ATOM 0 HD3 PRO A 38 7.141 14.140 -1.820 1.00 0.00 H new ATOM 557 N LYS A 39 12.589 13.712 -1.258 1.00 0.00 N ATOM 558 CA LYS A 39 13.706 13.905 -0.348 1.00 0.00 C ATOM 559 C LYS A 39 13.855 15.396 -0.039 1.00 0.00 C ATOM 560 O LYS A 39 14.841 15.812 0.568 1.00 0.00 O ATOM 561 CB LYS A 39 14.975 13.264 -0.914 1.00 0.00 C ATOM 562 CG LYS A 39 14.684 11.867 -1.467 1.00 0.00 C ATOM 563 CD LYS A 39 14.819 10.806 -0.374 1.00 0.00 C ATOM 564 CE LYS A 39 14.421 9.425 -0.898 1.00 0.00 C ATOM 565 NZ LYS A 39 15.013 8.361 -0.056 1.00 0.00 N ATOM 0 H LYS A 39 12.845 13.667 -2.244 1.00 0.00 H new ATOM 0 HA LYS A 39 13.517 13.400 0.599 1.00 0.00 H new ATOM 0 HB2 LYS A 39 15.384 13.894 -1.704 1.00 0.00 H new ATOM 0 HB3 LYS A 39 15.733 13.199 -0.134 1.00 0.00 H new ATOM 0 HG2 LYS A 39 13.677 11.839 -1.883 1.00 0.00 H new ATOM 0 HG3 LYS A 39 15.372 11.644 -2.282 1.00 0.00 H new ATOM 0 HD2 LYS A 39 15.847 10.779 -0.013 1.00 0.00 H new ATOM 0 HD3 LYS A 39 14.190 11.072 0.475 1.00 0.00 H new ATOM 0 HE2 LYS A 39 13.335 9.331 -0.904 1.00 0.00 H new ATOM 0 HE3 LYS A 39 14.756 9.310 -1.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 14.733 7.430 -0.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 16.050 8.442 -0.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 14.673 8.462 0.922 1.00 0.00 H new ATOM 579 N HIS A 40 12.862 16.160 -0.471 1.00 0.00 N ATOM 580 CA HIS A 40 12.871 17.595 -0.248 1.00 0.00 C ATOM 581 C HIS A 40 11.810 17.960 0.792 1.00 0.00 C ATOM 582 O HIS A 40 11.692 19.120 1.184 1.00 0.00 O ATOM 583 CB HIS A 40 12.692 18.351 -1.567 1.00 0.00 C ATOM 584 CG HIS A 40 11.288 18.297 -2.120 1.00 0.00 C ATOM 585 ND1 HIS A 40 10.976 17.671 -3.314 1.00 0.00 N ATOM 586 CD2 HIS A 40 10.117 18.797 -1.630 1.00 0.00 C ATOM 587 CE1 HIS A 40 9.674 17.796 -3.524 1.00 0.00 C ATOM 588 NE2 HIS A 40 9.143 18.494 -2.480 1.00 0.00 N ATOM 0 H HIS A 40 12.046 15.812 -0.974 1.00 0.00 H new ATOM 0 HA HIS A 40 13.839 17.898 0.150 1.00 0.00 H new ATOM 0 HB2 HIS A 40 12.973 19.394 -1.417 1.00 0.00 H new ATOM 0 HB3 HIS A 40 13.379 17.939 -2.306 1.00 0.00 H new ATOM 0 HD1 HIS A 40 11.636 17.194 -3.928 1.00 0.00 H new ATOM 0 HD2 HIS A 40 10.002 19.346 -0.707 1.00 0.00 H new ATOM 0 HE1 HIS A 40 9.129 17.412 -4.373 1.00 0.00 H new ATOM 596 N VAL A 41 11.064 16.947 1.210 1.00 0.00 N ATOM 597 CA VAL A 41 10.017 17.146 2.197 1.00 0.00 C ATOM 598 C VAL A 41 10.501 16.639 3.557 1.00 0.00 C ATOM 599 O VAL A 41 10.675 15.437 3.749 1.00 0.00 O ATOM 600 CB VAL A 41 8.725 16.470 1.733 1.00 0.00 C ATOM 601 CG1 VAL A 41 7.734 16.328 2.890 1.00 0.00 C ATOM 602 CG2 VAL A 41 8.098 17.232 0.564 1.00 0.00 C ATOM 0 H VAL A 41 11.164 15.986 0.883 1.00 0.00 H new ATOM 0 HA VAL A 41 9.792 18.207 2.306 1.00 0.00 H new ATOM 0 HB VAL A 41 8.977 15.469 1.384 1.00 0.00 H new ATOM 0 HG11 VAL A 41 6.825 15.845 2.533 1.00 0.00 H new ATOM 0 HG12 VAL A 41 8.180 15.723 3.679 1.00 0.00 H new ATOM 0 HG13 VAL A 41 7.490 17.315 3.283 1.00 0.00 H new ATOM 0 HG21 VAL A 41 7.181 16.731 0.253 1.00 0.00 H new ATOM 0 HG22 VAL A 41 7.867 18.251 0.876 1.00 0.00 H new ATOM 0 HG23 VAL A 41 8.798 17.258 -0.271 1.00 0.00 H new ATOM 612 N VAL A 42 10.706 17.582 4.466 1.00 0.00 N ATOM 613 CA VAL A 42 11.166 17.246 5.802 1.00 0.00 C ATOM 614 C VAL A 42 10.387 18.071 6.828 1.00 0.00 C ATOM 615 O VAL A 42 10.771 18.141 7.994 1.00 0.00 O ATOM 616 CB VAL A 42 12.680 17.446 5.899 1.00 0.00 C ATOM 617 CG1 VAL A 42 13.423 16.462 4.993 1.00 0.00 C ATOM 618 CG2 VAL A 42 13.064 18.891 5.572 1.00 0.00 C ATOM 0 H VAL A 42 10.562 18.578 4.303 1.00 0.00 H new ATOM 0 HA VAL A 42 10.975 16.195 6.019 1.00 0.00 H new ATOM 0 HB VAL A 42 12.979 17.244 6.928 1.00 0.00 H new ATOM 0 HG11 VAL A 42 14.497 16.626 5.081 1.00 0.00 H new ATOM 0 HG12 VAL A 42 13.186 15.441 5.293 1.00 0.00 H new ATOM 0 HG13 VAL A 42 13.116 16.617 3.959 1.00 0.00 H new ATOM 0 HG21 VAL A 42 14.145 19.006 5.648 1.00 0.00 H new ATOM 0 HG22 VAL A 42 12.744 19.132 4.558 1.00 0.00 H new ATOM 0 HG23 VAL A 42 12.577 19.565 6.276 1.00 0.00 H new ATOM 628 N LYS A 43 9.306 18.674 6.356 1.00 0.00 N ATOM 629 CA LYS A 43 8.469 19.492 7.218 1.00 0.00 C ATOM 630 C LYS A 43 6.997 19.200 6.918 1.00 0.00 C ATOM 631 O LYS A 43 6.668 18.688 5.849 1.00 0.00 O ATOM 632 CB LYS A 43 8.843 20.969 7.084 1.00 0.00 C ATOM 633 CG LYS A 43 9.954 21.345 8.067 1.00 0.00 C ATOM 634 CD LYS A 43 10.199 22.855 8.066 1.00 0.00 C ATOM 635 CE LYS A 43 11.618 23.180 7.598 1.00 0.00 C ATOM 636 NZ LYS A 43 12.223 24.221 8.459 1.00 0.00 N ATOM 0 H LYS A 43 8.990 18.613 5.388 1.00 0.00 H new ATOM 0 HA LYS A 43 8.638 19.239 8.265 1.00 0.00 H new ATOM 0 HB2 LYS A 43 9.170 21.174 6.065 1.00 0.00 H new ATOM 0 HB3 LYS A 43 7.965 21.588 7.268 1.00 0.00 H new ATOM 0 HG2 LYS A 43 9.683 21.018 9.071 1.00 0.00 H new ATOM 0 HG3 LYS A 43 10.873 20.824 7.799 1.00 0.00 H new ATOM 0 HD2 LYS A 43 9.476 23.344 7.413 1.00 0.00 H new ATOM 0 HD3 LYS A 43 10.043 23.253 9.069 1.00 0.00 H new ATOM 0 HE2 LYS A 43 12.230 22.279 7.622 1.00 0.00 H new ATOM 0 HE3 LYS A 43 11.596 23.523 6.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 13.186 24.429 8.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 11.647 25.086 8.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 12.261 23.880 9.441 1.00 0.00 H new ATOM 650 N GLY A 44 6.152 19.540 7.880 1.00 0.00 N ATOM 651 CA GLY A 44 4.723 19.321 7.731 1.00 0.00 C ATOM 652 C GLY A 44 4.085 20.421 6.881 1.00 0.00 C ATOM 653 O GLY A 44 3.143 20.165 6.132 1.00 0.00 O ATOM 0 H GLY A 44 6.429 19.965 8.765 1.00 0.00 H new ATOM 0 HA2 GLY A 44 4.547 18.350 7.268 1.00 0.00 H new ATOM 0 HA3 GLY A 44 4.251 19.296 8.713 1.00 0.00 H new ATOM 657 N LYS A 45 4.624 21.623 7.025 1.00 0.00 N ATOM 658 CA LYS A 45 4.119 22.764 6.279 1.00 0.00 C ATOM 659 C LYS A 45 4.356 22.536 4.785 1.00 0.00 C ATOM 660 O LYS A 45 3.747 23.200 3.947 1.00 0.00 O ATOM 661 CB LYS A 45 4.731 24.063 6.807 1.00 0.00 C ATOM 662 CG LYS A 45 6.192 24.197 6.373 1.00 0.00 C ATOM 663 CD LYS A 45 6.748 25.575 6.740 1.00 0.00 C ATOM 664 CE LYS A 45 7.365 26.259 5.519 1.00 0.00 C ATOM 665 NZ LYS A 45 6.963 27.682 5.464 1.00 0.00 N ATOM 0 H LYS A 45 5.405 21.832 7.647 1.00 0.00 H new ATOM 0 HA LYS A 45 3.043 22.865 6.420 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.159 24.915 6.439 1.00 0.00 H new ATOM 0 HB3 LYS A 45 4.668 24.083 7.895 1.00 0.00 H new ATOM 0 HG2 LYS A 45 6.790 23.421 6.850 1.00 0.00 H new ATOM 0 HG3 LYS A 45 6.271 24.044 5.297 1.00 0.00 H new ATOM 0 HD2 LYS A 45 5.950 26.197 7.145 1.00 0.00 H new ATOM 0 HD3 LYS A 45 7.500 25.471 7.522 1.00 0.00 H new ATOM 0 HE2 LYS A 45 8.451 26.183 5.563 1.00 0.00 H new ATOM 0 HE3 LYS A 45 7.046 25.750 4.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 7.390 28.131 4.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 5.927 27.748 5.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 7.289 28.168 6.324 1.00 0.00 H new ATOM 679 N GLN A 46 5.242 21.594 4.495 1.00 0.00 N ATOM 680 CA GLN A 46 5.567 21.271 3.117 1.00 0.00 C ATOM 681 C GLN A 46 4.499 20.351 2.522 1.00 0.00 C ATOM 682 O GLN A 46 4.466 20.134 1.311 1.00 0.00 O ATOM 683 CB GLN A 46 6.956 20.636 3.015 1.00 0.00 C ATOM 684 CG GLN A 46 8.053 21.678 3.240 1.00 0.00 C ATOM 685 CD GLN A 46 9.163 21.541 2.196 1.00 0.00 C ATOM 686 OE1 GLN A 46 9.220 22.264 1.215 1.00 0.00 O ATOM 687 NE2 GLN A 46 10.037 20.574 2.460 1.00 0.00 N ATOM 0 H GLN A 46 5.745 21.044 5.192 1.00 0.00 H new ATOM 0 HA GLN A 46 5.584 22.197 2.542 1.00 0.00 H new ATOM 0 HB2 GLN A 46 7.050 19.839 3.752 1.00 0.00 H new ATOM 0 HB3 GLN A 46 7.080 20.179 2.033 1.00 0.00 H new ATOM 0 HG2 GLN A 46 7.624 22.679 3.191 1.00 0.00 H new ATOM 0 HG3 GLN A 46 8.472 21.560 4.239 1.00 0.00 H new ATOM 0 HE21 GLN A 46 9.930 20.005 3.300 1.00 0.00 H new ATOM 0 HE22 GLN A 46 10.814 20.401 1.822 1.00 0.00 H new ATOM 696 N VAL A 47 3.652 19.835 3.400 1.00 0.00 N ATOM 697 CA VAL A 47 2.585 18.944 2.976 1.00 0.00 C ATOM 698 C VAL A 47 1.268 19.394 3.611 1.00 0.00 C ATOM 699 O VAL A 47 1.206 19.636 4.815 1.00 0.00 O ATOM 700 CB VAL A 47 2.948 17.496 3.314 1.00 0.00 C ATOM 701 CG1 VAL A 47 3.753 16.854 2.183 1.00 0.00 C ATOM 702 CG2 VAL A 47 3.706 17.417 4.641 1.00 0.00 C ATOM 0 H VAL A 47 3.683 20.017 4.403 1.00 0.00 H new ATOM 0 HA VAL A 47 2.456 18.989 1.895 1.00 0.00 H new ATOM 0 HB VAL A 47 2.020 16.935 3.424 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.998 15.826 2.449 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.163 16.861 1.267 1.00 0.00 H new ATOM 0 HG13 VAL A 47 4.673 17.417 2.026 1.00 0.00 H new ATOM 0 HG21 VAL A 47 3.952 16.378 4.858 1.00 0.00 H new ATOM 0 HG22 VAL A 47 4.624 18.000 4.571 1.00 0.00 H new ATOM 0 HG23 VAL A 47 3.082 17.817 5.441 1.00 0.00 H new ATOM 712 N SER A 48 0.247 19.493 2.772 1.00 0.00 N ATOM 713 CA SER A 48 -1.065 19.910 3.236 1.00 0.00 C ATOM 714 C SER A 48 -1.904 18.684 3.604 1.00 0.00 C ATOM 715 O SER A 48 -2.151 17.822 2.763 1.00 0.00 O ATOM 716 CB SER A 48 -1.784 20.746 2.176 1.00 0.00 C ATOM 717 OG SER A 48 -0.896 21.191 1.155 1.00 0.00 O ATOM 0 H SER A 48 0.302 19.292 1.774 1.00 0.00 H new ATOM 0 HA SER A 48 -0.933 20.531 4.122 1.00 0.00 H new ATOM 0 HB2 SER A 48 -2.583 20.155 1.729 1.00 0.00 H new ATOM 0 HB3 SER A 48 -2.252 21.608 2.651 1.00 0.00 H new ATOM 0 HG SER A 48 -1.393 21.720 0.497 1.00 0.00 H new ATOM 723 N VAL A 49 -2.318 18.646 4.862 1.00 0.00 N ATOM 724 CA VAL A 49 -3.124 17.541 5.352 1.00 0.00 C ATOM 725 C VAL A 49 -4.413 18.088 5.969 1.00 0.00 C ATOM 726 O VAL A 49 -4.372 18.789 6.979 1.00 0.00 O ATOM 727 CB VAL A 49 -2.308 16.690 6.327 1.00 0.00 C ATOM 728 CG1 VAL A 49 -3.212 15.736 7.111 1.00 0.00 C ATOM 729 CG2 VAL A 49 -1.204 15.924 5.596 1.00 0.00 C ATOM 0 H VAL A 49 -2.110 19.363 5.557 1.00 0.00 H new ATOM 0 HA VAL A 49 -3.411 16.885 4.530 1.00 0.00 H new ATOM 0 HB VAL A 49 -1.832 17.362 7.041 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -2.607 15.143 7.797 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -3.944 16.312 7.678 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -3.730 15.073 6.418 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -0.639 15.327 6.312 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -1.650 15.268 4.849 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -0.535 16.631 5.105 1.00 0.00 H new ATOM 739 N ALA A 50 -5.526 17.749 5.335 1.00 0.00 N ATOM 740 CA ALA A 50 -6.824 18.198 5.809 1.00 0.00 C ATOM 741 C ALA A 50 -7.637 16.989 6.277 1.00 0.00 C ATOM 742 O ALA A 50 -8.078 16.180 5.462 1.00 0.00 O ATOM 743 CB ALA A 50 -7.529 18.982 4.701 1.00 0.00 C ATOM 0 H ALA A 50 -5.556 17.168 4.497 1.00 0.00 H new ATOM 0 HA ALA A 50 -6.711 18.869 6.661 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -8.503 19.319 5.057 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -6.924 19.846 4.426 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -7.663 18.340 3.830 1.00 0.00 H new ATOM 749 N LEU A 51 -7.811 16.905 7.588 1.00 0.00 N ATOM 750 CA LEU A 51 -8.563 15.809 8.174 1.00 0.00 C ATOM 751 C LEU A 51 -10.030 16.220 8.314 1.00 0.00 C ATOM 752 O LEU A 51 -10.342 17.204 8.983 1.00 0.00 O ATOM 753 CB LEU A 51 -7.922 15.361 9.489 1.00 0.00 C ATOM 754 CG LEU A 51 -6.644 14.529 9.363 1.00 0.00 C ATOM 755 CD1 LEU A 51 -6.167 14.046 10.734 1.00 0.00 C ATOM 756 CD2 LEU A 51 -6.838 13.371 8.383 1.00 0.00 C ATOM 0 H LEU A 51 -7.444 17.578 8.261 1.00 0.00 H new ATOM 0 HA LEU A 51 -8.536 14.937 7.520 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -7.697 16.248 10.081 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -8.656 14.781 10.049 1.00 0.00 H new ATOM 0 HG LEU A 51 -5.860 15.167 8.956 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -5.257 13.457 10.616 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -5.963 14.906 11.372 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -6.941 13.430 11.192 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -5.915 12.796 8.312 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -7.642 12.725 8.737 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -7.096 13.765 7.400 1.00 0.00 H new ATOM 768 N SER A 52 -10.893 15.446 7.671 1.00 0.00 N ATOM 769 CA SER A 52 -12.319 15.718 7.715 1.00 0.00 C ATOM 770 C SER A 52 -13.080 14.456 8.129 1.00 0.00 C ATOM 771 O SER A 52 -12.653 13.343 7.825 1.00 0.00 O ATOM 772 CB SER A 52 -12.826 16.223 6.363 1.00 0.00 C ATOM 773 OG SER A 52 -11.839 16.987 5.675 1.00 0.00 O ATOM 0 H SER A 52 -10.631 14.631 7.117 1.00 0.00 H new ATOM 0 HA SER A 52 -12.495 16.500 8.454 1.00 0.00 H new ATOM 0 HB2 SER A 52 -13.122 15.374 5.747 1.00 0.00 H new ATOM 0 HB3 SER A 52 -13.716 16.833 6.514 1.00 0.00 H new ATOM 0 HG SER A 52 -11.207 16.383 5.232 1.00 0.00 H new ATOM 779 N SER A 53 -14.192 14.672 8.815 1.00 0.00 N ATOM 780 CA SER A 53 -15.016 13.567 9.273 1.00 0.00 C ATOM 781 C SER A 53 -15.323 12.625 8.107 1.00 0.00 C ATOM 782 O SER A 53 -15.524 11.428 8.308 1.00 0.00 O ATOM 783 CB SER A 53 -16.315 14.072 9.905 1.00 0.00 C ATOM 784 OG SER A 53 -16.142 15.333 10.545 1.00 0.00 O ATOM 0 H SER A 53 -14.542 15.597 9.065 1.00 0.00 H new ATOM 0 HA SER A 53 -14.462 13.021 10.037 1.00 0.00 H new ATOM 0 HB2 SER A 53 -17.083 14.158 9.136 1.00 0.00 H new ATOM 0 HB3 SER A 53 -16.672 13.342 10.632 1.00 0.00 H new ATOM 0 HG SER A 53 -16.994 15.622 10.934 1.00 0.00 H new ATOM 790 N SER A 54 -15.351 13.201 6.915 1.00 0.00 N ATOM 791 CA SER A 54 -15.631 12.428 5.717 1.00 0.00 C ATOM 792 C SER A 54 -14.920 13.052 4.514 1.00 0.00 C ATOM 793 O SER A 54 -15.562 13.422 3.532 1.00 0.00 O ATOM 794 CB SER A 54 -17.136 12.340 5.457 1.00 0.00 C ATOM 795 OG SER A 54 -17.669 13.574 4.983 1.00 0.00 O ATOM 0 H SER A 54 -15.184 14.194 6.753 1.00 0.00 H new ATOM 0 HA SER A 54 -15.256 11.416 5.868 1.00 0.00 H new ATOM 0 HB2 SER A 54 -17.332 11.556 4.726 1.00 0.00 H new ATOM 0 HB3 SER A 54 -17.647 12.054 6.376 1.00 0.00 H new ATOM 0 HG SER A 54 -17.205 13.836 4.161 1.00 0.00 H new ATOM 801 N SER A 55 -13.604 13.149 4.630 1.00 0.00 N ATOM 802 CA SER A 55 -12.799 13.722 3.564 1.00 0.00 C ATOM 803 C SER A 55 -11.361 13.927 4.046 1.00 0.00 C ATOM 804 O SER A 55 -11.138 14.365 5.173 1.00 0.00 O ATOM 805 CB SER A 55 -13.390 15.047 3.078 1.00 0.00 C ATOM 806 OG SER A 55 -14.395 15.538 3.961 1.00 0.00 O ATOM 0 H SER A 55 -13.075 12.841 5.446 1.00 0.00 H new ATOM 0 HA SER A 55 -12.798 13.026 2.725 1.00 0.00 H new ATOM 0 HB2 SER A 55 -12.595 15.787 2.986 1.00 0.00 H new ATOM 0 HB3 SER A 55 -13.816 14.911 2.084 1.00 0.00 H new ATOM 0 HG SER A 55 -15.273 15.211 3.672 1.00 0.00 H new ATOM 812 N ILE A 56 -10.424 13.600 3.169 1.00 0.00 N ATOM 813 CA ILE A 56 -9.015 13.743 3.491 1.00 0.00 C ATOM 814 C ILE A 56 -8.286 14.376 2.304 1.00 0.00 C ATOM 815 O ILE A 56 -8.674 14.176 1.154 1.00 0.00 O ATOM 816 CB ILE A 56 -8.426 12.400 3.928 1.00 0.00 C ATOM 817 CG1 ILE A 56 -7.023 12.580 4.510 1.00 0.00 C ATOM 818 CG2 ILE A 56 -8.444 11.393 2.776 1.00 0.00 C ATOM 819 CD1 ILE A 56 -5.999 12.842 3.404 1.00 0.00 C ATOM 0 H ILE A 56 -10.613 13.236 2.235 1.00 0.00 H new ATOM 0 HA ILE A 56 -8.885 14.414 4.340 1.00 0.00 H new ATOM 0 HB ILE A 56 -9.054 11.993 4.721 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -7.022 13.411 5.215 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -6.740 11.688 5.068 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -8.020 10.447 3.113 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -9.471 11.234 2.448 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -7.854 11.780 1.945 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -5.010 12.966 3.846 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -5.985 11.998 2.714 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -6.271 13.748 2.863 1.00 0.00 H new ATOM 831 N ARG A 57 -7.243 15.129 2.623 1.00 0.00 N ATOM 832 CA ARG A 57 -6.457 15.793 1.598 1.00 0.00 C ATOM 833 C ARG A 57 -4.963 15.602 1.867 1.00 0.00 C ATOM 834 O ARG A 57 -4.505 15.780 2.995 1.00 0.00 O ATOM 835 CB ARG A 57 -6.772 17.289 1.545 1.00 0.00 C ATOM 836 CG ARG A 57 -5.907 17.995 0.500 1.00 0.00 C ATOM 837 CD ARG A 57 -6.344 19.450 0.319 1.00 0.00 C ATOM 838 NE ARG A 57 -5.206 20.264 -0.167 1.00 0.00 N ATOM 839 CZ ARG A 57 -5.338 21.373 -0.906 1.00 0.00 C ATOM 840 NH1 ARG A 57 -6.558 21.809 -1.250 1.00 0.00 N ATOM 841 NH2 ARG A 57 -4.250 22.048 -1.302 1.00 0.00 N ATOM 0 H ARG A 57 -6.924 15.294 3.578 1.00 0.00 H new ATOM 0 HA ARG A 57 -6.717 15.345 0.639 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.826 17.434 1.308 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -6.601 17.735 2.525 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -4.861 17.961 0.805 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -5.978 17.469 -0.452 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -7.170 19.505 -0.390 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -6.709 19.849 1.265 1.00 0.00 H new ATOM 0 HE ARG A 57 -4.263 19.961 0.076 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -7.387 21.296 -0.949 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -6.658 22.654 -1.813 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -3.321 21.717 -1.041 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -4.351 22.893 -1.865 1.00 0.00 H new ATOM 855 N VAL A 58 -4.246 15.243 0.813 1.00 0.00 N ATOM 856 CA VAL A 58 -2.813 15.026 0.922 1.00 0.00 C ATOM 857 C VAL A 58 -2.108 15.709 -0.252 1.00 0.00 C ATOM 858 O VAL A 58 -2.401 15.418 -1.410 1.00 0.00 O ATOM 859 CB VAL A 58 -2.515 13.528 1.009 1.00 0.00 C ATOM 860 CG1 VAL A 58 -1.036 13.280 1.309 1.00 0.00 C ATOM 861 CG2 VAL A 58 -3.407 12.852 2.052 1.00 0.00 C ATOM 0 H VAL A 58 -4.630 15.097 -0.121 1.00 0.00 H new ATOM 0 HA VAL A 58 -2.428 15.473 1.838 1.00 0.00 H new ATOM 0 HB VAL A 58 -2.739 13.085 0.039 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -0.851 12.207 1.366 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -0.426 13.712 0.515 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -0.775 13.744 2.260 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -3.175 11.788 2.094 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -3.229 13.301 3.029 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -4.453 12.985 1.777 1.00 0.00 H new ATOM 871 N ALA A 59 -1.192 16.604 0.089 1.00 0.00 N ATOM 872 CA ALA A 59 -0.443 17.330 -0.923 1.00 0.00 C ATOM 873 C ALA A 59 0.957 17.642 -0.388 1.00 0.00 C ATOM 874 O ALA A 59 1.175 17.652 0.822 1.00 0.00 O ATOM 875 CB ALA A 59 -1.210 18.592 -1.319 1.00 0.00 C ATOM 0 H ALA A 59 -0.952 16.843 1.051 1.00 0.00 H new ATOM 0 HA ALA A 59 -0.326 16.725 -1.822 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.648 19.136 -2.078 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -2.185 18.315 -1.719 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -1.344 19.226 -0.443 1.00 0.00 H new ATOM 881 N MET A 60 1.869 17.889 -1.317 1.00 0.00 N ATOM 882 CA MET A 60 3.241 18.200 -0.955 1.00 0.00 C ATOM 883 C MET A 60 3.782 19.355 -1.800 1.00 0.00 C ATOM 884 O MET A 60 3.441 19.483 -2.975 1.00 0.00 O ATOM 885 CB MET A 60 4.117 16.963 -1.160 1.00 0.00 C ATOM 886 CG MET A 60 4.051 16.479 -2.610 1.00 0.00 C ATOM 887 SD MET A 60 5.694 16.134 -3.215 1.00 0.00 S ATOM 888 CE MET A 60 6.471 17.714 -2.919 1.00 0.00 C ATOM 0 H MET A 60 1.684 17.880 -2.320 1.00 0.00 H new ATOM 0 HA MET A 60 3.261 18.500 0.093 1.00 0.00 H new ATOM 0 HB2 MET A 60 5.149 17.196 -0.897 1.00 0.00 H new ATOM 0 HB3 MET A 60 3.790 16.166 -0.492 1.00 0.00 H new ATOM 0 HG2 MET A 60 3.435 15.582 -2.675 1.00 0.00 H new ATOM 0 HG3 MET A 60 3.577 17.237 -3.234 1.00 0.00 H new ATOM 0 HE1 MET A 60 7.152 17.944 -3.738 1.00 0.00 H new ATOM 0 HE2 MET A 60 5.707 18.489 -2.854 1.00 0.00 H new ATOM 0 HE3 MET A 60 7.029 17.675 -1.983 1.00 0.00 H new ATOM 898 N LEU A 61 4.616 20.168 -1.168 1.00 0.00 N ATOM 899 CA LEU A 61 5.208 21.308 -1.847 1.00 0.00 C ATOM 900 C LEU A 61 6.357 20.827 -2.736 1.00 0.00 C ATOM 901 O LEU A 61 7.241 20.106 -2.278 1.00 0.00 O ATOM 902 CB LEU A 61 5.621 22.379 -0.835 1.00 0.00 C ATOM 903 CG LEU A 61 4.484 23.026 -0.041 1.00 0.00 C ATOM 904 CD1 LEU A 61 4.951 24.318 0.632 1.00 0.00 C ATOM 905 CD2 LEU A 61 3.257 23.251 -0.926 1.00 0.00 C ATOM 0 H LEU A 61 4.896 20.060 -0.193 1.00 0.00 H new ATOM 0 HA LEU A 61 4.477 21.784 -2.500 1.00 0.00 H new ATOM 0 HB2 LEU A 61 6.322 21.933 -0.130 1.00 0.00 H new ATOM 0 HB3 LEU A 61 6.159 23.164 -1.366 1.00 0.00 H new ATOM 0 HG LEU A 61 4.187 22.340 0.752 1.00 0.00 H new ATOM 0 HD11 LEU A 61 4.124 24.757 1.190 1.00 0.00 H new ATOM 0 HD12 LEU A 61 5.772 24.097 1.314 1.00 0.00 H new ATOM 0 HD13 LEU A 61 5.291 25.022 -0.128 1.00 0.00 H new ATOM 0 HD21 LEU A 61 2.464 23.712 -0.338 1.00 0.00 H new ATOM 0 HD22 LEU A 61 3.522 23.907 -1.755 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.910 22.295 -1.317 1.00 0.00 H new ATOM 917 N GLU A 62 6.306 21.246 -3.992 1.00 0.00 N ATOM 918 CA GLU A 62 7.330 20.867 -4.950 1.00 0.00 C ATOM 919 C GLU A 62 8.430 21.929 -4.999 1.00 0.00 C ATOM 920 O GLU A 62 9.534 21.709 -4.502 1.00 0.00 O ATOM 921 CB GLU A 62 6.727 20.638 -6.337 1.00 0.00 C ATOM 922 CG GLU A 62 6.135 19.233 -6.453 1.00 0.00 C ATOM 923 CD GLU A 62 7.158 18.252 -7.027 1.00 0.00 C ATOM 924 OE1 GLU A 62 7.939 18.692 -7.899 1.00 0.00 O ATOM 925 OE2 GLU A 62 7.137 17.083 -6.583 1.00 0.00 O ATOM 0 H GLU A 62 5.571 21.845 -4.368 1.00 0.00 H new ATOM 0 HA GLU A 62 7.774 19.926 -4.624 1.00 0.00 H new ATOM 0 HB2 GLU A 62 5.951 21.380 -6.527 1.00 0.00 H new ATOM 0 HB3 GLU A 62 7.494 20.777 -7.098 1.00 0.00 H new ATOM 0 HG2 GLU A 62 5.808 18.890 -5.471 1.00 0.00 H new ATOM 0 HG3 GLU A 62 5.252 19.258 -7.092 1.00 0.00 H new ATOM 932 N GLU A 63 8.091 23.059 -5.602 1.00 0.00 N ATOM 933 CA GLU A 63 9.036 24.157 -5.722 1.00 0.00 C ATOM 934 C GLU A 63 8.301 25.457 -6.052 1.00 0.00 C ATOM 935 O GLU A 63 8.252 26.372 -5.231 1.00 0.00 O ATOM 936 CB GLU A 63 10.103 23.848 -6.774 1.00 0.00 C ATOM 937 CG GLU A 63 11.246 24.863 -6.709 1.00 0.00 C ATOM 938 CD GLU A 63 11.662 25.312 -8.112 1.00 0.00 C ATOM 939 OE1 GLU A 63 11.684 24.436 -9.004 1.00 0.00 O ATOM 940 OE2 GLU A 63 11.947 26.520 -8.260 1.00 0.00 O ATOM 0 H GLU A 63 7.175 23.238 -6.013 1.00 0.00 H new ATOM 0 HA GLU A 63 9.541 24.282 -4.764 1.00 0.00 H new ATOM 0 HB2 GLU A 63 10.495 22.843 -6.616 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.655 23.863 -7.767 1.00 0.00 H new ATOM 0 HG2 GLU A 63 10.936 25.728 -6.124 1.00 0.00 H new ATOM 0 HG3 GLU A 63 12.101 24.421 -6.196 1.00 0.00 H new ATOM 947 N ASN A 64 7.747 25.497 -7.254 1.00 0.00 N ATOM 948 CA ASN A 64 7.016 26.671 -7.703 1.00 0.00 C ATOM 949 C ASN A 64 5.554 26.554 -7.265 1.00 0.00 C ATOM 950 O ASN A 64 4.777 27.492 -7.430 1.00 0.00 O ATOM 951 CB ASN A 64 7.045 26.788 -9.228 1.00 0.00 C ATOM 952 CG ASN A 64 8.154 27.738 -9.684 1.00 0.00 C ATOM 953 OD1 ASN A 64 9.180 27.890 -9.041 1.00 0.00 O ATOM 954 ND2 ASN A 64 7.892 28.368 -10.826 1.00 0.00 N ATOM 0 H ASN A 64 7.789 24.736 -7.932 1.00 0.00 H new ATOM 0 HA ASN A 64 7.488 27.550 -7.265 1.00 0.00 H new ATOM 0 HB2 ASN A 64 7.201 25.803 -9.669 1.00 0.00 H new ATOM 0 HB3 ASN A 64 6.081 27.149 -9.587 1.00 0.00 H new ATOM 0 HD21 ASN A 64 8.570 29.024 -11.214 1.00 0.00 H new ATOM 0 HD22 ASN A 64 7.013 28.195 -11.314 1.00 0.00 H new ATOM 961 N GLY A 65 5.225 25.394 -6.716 1.00 0.00 N ATOM 962 CA GLY A 65 3.871 25.142 -6.254 1.00 0.00 C ATOM 963 C GLY A 65 3.816 23.893 -5.373 1.00 0.00 C ATOM 964 O GLY A 65 4.648 23.718 -4.484 1.00 0.00 O ATOM 0 H GLY A 65 5.873 24.618 -6.581 1.00 0.00 H new ATOM 0 HA2 GLY A 65 3.508 26.003 -5.693 1.00 0.00 H new ATOM 0 HA3 GLY A 65 3.208 25.017 -7.110 1.00 0.00 H new ATOM 968 N GLU A 66 2.827 23.055 -5.650 1.00 0.00 N ATOM 969 CA GLU A 66 2.653 21.827 -4.894 1.00 0.00 C ATOM 970 C GLU A 66 1.886 20.796 -5.725 1.00 0.00 C ATOM 971 O GLU A 66 1.435 21.096 -6.830 1.00 0.00 O ATOM 972 CB GLU A 66 1.943 22.097 -3.566 1.00 0.00 C ATOM 973 CG GLU A 66 0.431 22.213 -3.765 1.00 0.00 C ATOM 974 CD GLU A 66 0.088 23.382 -4.691 1.00 0.00 C ATOM 975 OE1 GLU A 66 -0.063 24.503 -4.157 1.00 0.00 O ATOM 976 OE2 GLU A 66 -0.014 23.130 -5.910 1.00 0.00 O ATOM 0 H GLU A 66 2.138 23.203 -6.388 1.00 0.00 H new ATOM 0 HA GLU A 66 3.639 21.421 -4.666 1.00 0.00 H new ATOM 0 HB2 GLU A 66 2.160 21.292 -2.864 1.00 0.00 H new ATOM 0 HB3 GLU A 66 2.327 23.017 -3.125 1.00 0.00 H new ATOM 0 HG2 GLU A 66 0.044 21.285 -4.186 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -0.057 22.353 -2.800 1.00 0.00 H new ATOM 983 N ARG A 67 1.762 19.603 -5.163 1.00 0.00 N ATOM 984 CA ARG A 67 1.058 18.526 -5.838 1.00 0.00 C ATOM 985 C ARG A 67 0.239 17.714 -4.832 1.00 0.00 C ATOM 986 O ARG A 67 0.719 17.405 -3.743 1.00 0.00 O ATOM 987 CB ARG A 67 2.035 17.596 -6.559 1.00 0.00 C ATOM 988 CG ARG A 67 1.287 16.511 -7.336 1.00 0.00 C ATOM 989 CD ARG A 67 2.091 16.057 -8.556 1.00 0.00 C ATOM 990 NE ARG A 67 1.173 15.665 -9.649 1.00 0.00 N ATOM 991 CZ ARG A 67 1.537 15.560 -10.934 1.00 0.00 C ATOM 992 NH1 ARG A 67 2.802 15.816 -11.296 1.00 0.00 N ATOM 993 NH2 ARG A 67 0.637 15.198 -11.859 1.00 0.00 N ATOM 0 H ARG A 67 2.138 19.358 -4.247 1.00 0.00 H new ATOM 0 HA ARG A 67 0.392 18.976 -6.574 1.00 0.00 H new ATOM 0 HB2 ARG A 67 2.656 18.175 -7.242 1.00 0.00 H new ATOM 0 HB3 ARG A 67 2.704 17.133 -5.834 1.00 0.00 H new ATOM 0 HG2 ARG A 67 1.096 15.658 -6.684 1.00 0.00 H new ATOM 0 HG3 ARG A 67 0.317 16.891 -7.656 1.00 0.00 H new ATOM 0 HD2 ARG A 67 2.746 16.862 -8.891 1.00 0.00 H new ATOM 0 HD3 ARG A 67 2.731 15.216 -8.288 1.00 0.00 H new ATOM 0 HE ARG A 67 0.203 15.462 -9.409 1.00 0.00 H new ATOM 0 HH11 ARG A 67 3.488 16.091 -10.593 1.00 0.00 H new ATOM 0 HH12 ARG A 67 3.079 15.736 -12.275 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -0.326 15.002 -11.585 1.00 0.00 H new ATOM 0 HH22 ARG A 67 0.915 15.118 -12.837 1.00 0.00 H new ATOM 1007 N VAL A 68 -0.982 17.393 -5.234 1.00 0.00 N ATOM 1008 CA VAL A 68 -1.871 16.623 -4.381 1.00 0.00 C ATOM 1009 C VAL A 68 -1.636 15.130 -4.622 1.00 0.00 C ATOM 1010 O VAL A 68 -2.149 14.565 -5.587 1.00 0.00 O ATOM 1011 CB VAL A 68 -3.322 17.046 -4.621 1.00 0.00 C ATOM 1012 CG1 VAL A 68 -4.290 16.143 -3.853 1.00 0.00 C ATOM 1013 CG2 VAL A 68 -3.533 18.515 -4.251 1.00 0.00 C ATOM 0 H VAL A 68 -1.376 17.652 -6.138 1.00 0.00 H new ATOM 0 HA VAL A 68 -1.658 16.820 -3.330 1.00 0.00 H new ATOM 0 HB VAL A 68 -3.532 16.935 -5.685 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -5.314 16.465 -4.041 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -4.167 15.112 -4.185 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -4.079 16.208 -2.786 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -4.572 18.790 -4.431 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -3.296 18.663 -3.197 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -2.881 19.141 -4.861 1.00 0.00 H new ATOM 1023 N LEU A 69 -0.860 14.534 -3.728 1.00 0.00 N ATOM 1024 CA LEU A 69 -0.551 13.118 -3.831 1.00 0.00 C ATOM 1025 C LEU A 69 -1.846 12.309 -3.735 1.00 0.00 C ATOM 1026 O LEU A 69 -2.194 11.574 -4.658 1.00 0.00 O ATOM 1027 CB LEU A 69 0.500 12.722 -2.793 1.00 0.00 C ATOM 1028 CG LEU A 69 1.764 13.584 -2.755 1.00 0.00 C ATOM 1029 CD1 LEU A 69 2.656 13.198 -1.574 1.00 0.00 C ATOM 1030 CD2 LEU A 69 2.514 13.515 -4.087 1.00 0.00 C ATOM 0 H LEU A 69 -0.436 15.006 -2.929 1.00 0.00 H new ATOM 0 HA LEU A 69 -0.107 12.895 -4.801 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.036 12.749 -1.807 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.794 11.689 -2.979 1.00 0.00 H new ATOM 0 HG LEU A 69 1.466 14.622 -2.606 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.547 13.826 -1.571 1.00 0.00 H new ATOM 0 HD12 LEU A 69 2.108 13.340 -0.642 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.949 12.152 -1.666 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.408 14.136 -4.034 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.801 12.483 -4.290 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.868 13.877 -4.887 1.00 0.00 H new ATOM 1042 N MET A 70 -2.525 12.472 -2.609 1.00 0.00 N ATOM 1043 CA MET A 70 -3.774 11.766 -2.380 1.00 0.00 C ATOM 1044 C MET A 70 -4.888 12.737 -1.981 1.00 0.00 C ATOM 1045 O MET A 70 -4.635 13.735 -1.309 1.00 0.00 O ATOM 1046 CB MET A 70 -3.579 10.730 -1.271 1.00 0.00 C ATOM 1047 CG MET A 70 -4.926 10.233 -0.742 1.00 0.00 C ATOM 1048 SD MET A 70 -4.668 9.019 0.541 1.00 0.00 S ATOM 1049 CE MET A 70 -6.329 8.385 0.707 1.00 0.00 C ATOM 0 H MET A 70 -2.234 13.083 -1.846 1.00 0.00 H new ATOM 0 HA MET A 70 -4.064 11.270 -3.306 1.00 0.00 H new ATOM 0 HB2 MET A 70 -3.001 9.888 -1.652 1.00 0.00 H new ATOM 0 HB3 MET A 70 -3.004 11.169 -0.456 1.00 0.00 H new ATOM 0 HG2 MET A 70 -5.504 11.070 -0.351 1.00 0.00 H new ATOM 0 HG3 MET A 70 -5.507 9.797 -1.555 1.00 0.00 H new ATOM 0 HE1 MET A 70 -6.291 7.316 0.914 1.00 0.00 H new ATOM 0 HE2 MET A 70 -6.833 8.896 1.527 1.00 0.00 H new ATOM 0 HE3 MET A 70 -6.878 8.556 -0.219 1.00 0.00 H new ATOM 1059 N GLU A 71 -6.097 12.410 -2.414 1.00 0.00 N ATOM 1060 CA GLU A 71 -7.250 13.241 -2.111 1.00 0.00 C ATOM 1061 C GLU A 71 -8.535 12.555 -2.577 1.00 0.00 C ATOM 1062 O GLU A 71 -8.507 11.729 -3.488 1.00 0.00 O ATOM 1063 CB GLU A 71 -7.108 14.627 -2.742 1.00 0.00 C ATOM 1064 CG GLU A 71 -7.133 15.722 -1.674 1.00 0.00 C ATOM 1065 CD GLU A 71 -7.406 17.092 -2.298 1.00 0.00 C ATOM 1066 OE1 GLU A 71 -6.691 17.426 -3.267 1.00 0.00 O ATOM 1067 OE2 GLU A 71 -8.324 17.773 -1.792 1.00 0.00 O ATOM 0 H GLU A 71 -6.303 11.581 -2.972 1.00 0.00 H new ATOM 0 HA GLU A 71 -7.304 13.374 -1.031 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -6.174 14.682 -3.302 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -7.917 14.791 -3.454 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -7.901 15.496 -0.935 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -6.179 15.742 -1.147 1.00 0.00 H new ATOM 1074 N GLY A 72 -9.632 12.922 -1.931 1.00 0.00 N ATOM 1075 CA GLY A 72 -10.926 12.353 -2.268 1.00 0.00 C ATOM 1076 C GLY A 72 -11.803 12.208 -1.023 1.00 0.00 C ATOM 1077 O GLY A 72 -11.293 12.022 0.081 1.00 0.00 O ATOM 0 H GLY A 72 -9.651 13.607 -1.175 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -11.427 12.988 -2.998 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -10.788 11.378 -2.735 1.00 0.00 H new ATOM 1081 N LYS A 73 -13.106 12.300 -1.242 1.00 0.00 N ATOM 1082 CA LYS A 73 -14.059 12.181 -0.151 1.00 0.00 C ATOM 1083 C LYS A 73 -14.127 10.722 0.304 1.00 0.00 C ATOM 1084 O LYS A 73 -14.485 9.841 -0.476 1.00 0.00 O ATOM 1085 CB LYS A 73 -15.414 12.763 -0.558 1.00 0.00 C ATOM 1086 CG LYS A 73 -16.060 11.926 -1.664 1.00 0.00 C ATOM 1087 CD LYS A 73 -16.551 12.816 -2.809 1.00 0.00 C ATOM 1088 CE LYS A 73 -16.787 11.995 -4.078 1.00 0.00 C ATOM 1089 NZ LYS A 73 -17.544 12.786 -5.074 1.00 0.00 N ATOM 0 H LYS A 73 -13.525 12.456 -2.159 1.00 0.00 H new ATOM 0 HA LYS A 73 -13.731 12.767 0.707 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -16.074 12.798 0.309 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -15.285 13.789 -0.902 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -15.340 11.202 -2.045 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -16.896 11.359 -1.255 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -17.475 13.314 -2.517 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -15.817 13.597 -3.008 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -15.831 11.686 -4.501 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -17.336 11.086 -3.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -17.695 12.214 -5.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -18.464 13.060 -4.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -17.005 13.641 -5.320 1.00 0.00 H new ATOM 1103 N LEU A 74 -13.779 10.512 1.565 1.00 0.00 N ATOM 1104 CA LEU A 74 -13.797 9.175 2.134 1.00 0.00 C ATOM 1105 C LEU A 74 -15.131 8.503 1.804 1.00 0.00 C ATOM 1106 O LEU A 74 -16.051 9.152 1.309 1.00 0.00 O ATOM 1107 CB LEU A 74 -13.487 9.226 3.631 1.00 0.00 C ATOM 1108 CG LEU A 74 -12.081 9.697 4.009 1.00 0.00 C ATOM 1109 CD1 LEU A 74 -12.012 10.083 5.488 1.00 0.00 C ATOM 1110 CD2 LEU A 74 -11.032 8.646 3.642 1.00 0.00 C ATOM 0 H LEU A 74 -13.483 11.246 2.209 1.00 0.00 H new ATOM 0 HA LEU A 74 -13.013 8.561 1.691 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -14.211 9.886 4.109 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -13.639 8.230 4.048 1.00 0.00 H new ATOM 0 HG LEU A 74 -11.854 10.593 3.431 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -11.002 10.414 5.731 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -12.716 10.891 5.686 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -12.268 9.219 6.102 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -10.042 9.007 3.922 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -11.244 7.719 4.174 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -11.061 8.462 2.568 1.00 0.00 H new ATOM 1122 N THR A 75 -15.194 7.212 2.093 1.00 0.00 N ATOM 1123 CA THR A 75 -16.401 6.445 1.834 1.00 0.00 C ATOM 1124 C THR A 75 -17.361 6.544 3.021 1.00 0.00 C ATOM 1125 O THR A 75 -18.572 6.660 2.836 1.00 0.00 O ATOM 1126 CB THR A 75 -15.987 5.009 1.506 1.00 0.00 C ATOM 1127 OG1 THR A 75 -15.391 4.536 2.711 1.00 0.00 O ATOM 1128 CG2 THR A 75 -14.854 4.946 0.480 1.00 0.00 C ATOM 0 H THR A 75 -14.429 6.677 2.504 1.00 0.00 H new ATOM 0 HA THR A 75 -16.948 6.845 0.980 1.00 0.00 H new ATOM 0 HB THR A 75 -16.849 4.460 1.128 1.00 0.00 H new ATOM 0 HG1 THR A 75 -14.576 4.034 2.498 1.00 0.00 H new ATOM 0 HG21 THR A 75 -14.599 3.905 0.283 1.00 0.00 H new ATOM 0 HG22 THR A 75 -15.175 5.422 -0.446 1.00 0.00 H new ATOM 0 HG23 THR A 75 -13.980 5.466 0.871 1.00 0.00 H new ATOM 1136 N HIS A 76 -16.785 6.496 4.213 1.00 0.00 N ATOM 1137 CA HIS A 76 -17.575 6.580 5.430 1.00 0.00 C ATOM 1138 C HIS A 76 -17.038 7.707 6.314 1.00 0.00 C ATOM 1139 O HIS A 76 -16.014 8.312 6.001 1.00 0.00 O ATOM 1140 CB HIS A 76 -17.611 5.229 6.148 1.00 0.00 C ATOM 1141 CG HIS A 76 -18.793 4.366 5.775 1.00 0.00 C ATOM 1142 ND1 HIS A 76 -19.953 4.319 6.527 1.00 0.00 N ATOM 1143 CD2 HIS A 76 -18.981 3.520 4.722 1.00 0.00 C ATOM 1144 CE1 HIS A 76 -20.795 3.477 5.945 1.00 0.00 C ATOM 1145 NE2 HIS A 76 -20.191 2.983 4.826 1.00 0.00 N ATOM 0 H HIS A 76 -15.781 6.400 4.362 1.00 0.00 H new ATOM 0 HA HIS A 76 -18.608 6.822 5.181 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -16.693 4.686 5.924 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -17.625 5.401 7.224 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -18.267 3.321 3.937 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -21.785 3.226 6.295 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -20.601 2.312 4.176 1.00 0.00 H new ATOM 1153 N LYS A 77 -17.754 7.955 7.400 1.00 0.00 N ATOM 1154 CA LYS A 77 -17.363 8.999 8.332 1.00 0.00 C ATOM 1155 C LYS A 77 -16.251 8.474 9.243 1.00 0.00 C ATOM 1156 O LYS A 77 -16.116 7.266 9.429 1.00 0.00 O ATOM 1157 CB LYS A 77 -18.583 9.525 9.091 1.00 0.00 C ATOM 1158 CG LYS A 77 -19.490 10.344 8.171 1.00 0.00 C ATOM 1159 CD LYS A 77 -20.217 11.440 8.952 1.00 0.00 C ATOM 1160 CE LYS A 77 -20.287 12.736 8.141 1.00 0.00 C ATOM 1161 NZ LYS A 77 -20.842 13.833 8.965 1.00 0.00 N ATOM 0 H LYS A 77 -18.603 7.451 7.656 1.00 0.00 H new ATOM 0 HA LYS A 77 -16.957 9.856 7.795 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -19.143 8.689 9.510 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -18.257 10.141 9.929 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -18.896 10.793 7.375 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -20.218 9.688 7.694 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -21.225 11.107 9.200 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -19.701 11.624 9.894 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -19.291 13.006 7.789 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -20.908 12.586 7.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -20.883 14.705 8.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -21.800 13.580 9.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -20.234 13.986 9.794 1.00 0.00 H new ATOM 1175 N ILE A 78 -15.484 9.408 9.786 1.00 0.00 N ATOM 1176 CA ILE A 78 -14.388 9.054 10.672 1.00 0.00 C ATOM 1177 C ILE A 78 -14.418 9.965 11.901 1.00 0.00 C ATOM 1178 O ILE A 78 -15.356 10.740 12.081 1.00 0.00 O ATOM 1179 CB ILE A 78 -13.058 9.081 9.918 1.00 0.00 C ATOM 1180 CG1 ILE A 78 -12.710 10.503 9.471 1.00 0.00 C ATOM 1181 CG2 ILE A 78 -13.072 8.099 8.744 1.00 0.00 C ATOM 1182 CD1 ILE A 78 -11.619 11.105 10.359 1.00 0.00 C ATOM 0 H ILE A 78 -15.600 10.409 9.630 1.00 0.00 H new ATOM 0 HA ILE A 78 -14.503 8.031 11.030 1.00 0.00 H new ATOM 0 HB ILE A 78 -12.273 8.756 10.600 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -12.374 10.490 8.434 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -13.602 11.129 9.509 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -12.114 8.139 8.225 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -13.241 7.089 9.117 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -13.870 8.369 8.053 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -11.390 12.115 10.020 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -11.967 11.139 11.391 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -10.721 10.490 10.299 1.00 0.00 H new ATOM 1194 N ASN A 79 -13.379 9.842 12.714 1.00 0.00 N ATOM 1195 CA ASN A 79 -13.274 10.645 13.921 1.00 0.00 C ATOM 1196 C ASN A 79 -12.012 11.507 13.846 1.00 0.00 C ATOM 1197 O ASN A 79 -10.948 11.098 14.307 1.00 0.00 O ATOM 1198 CB ASN A 79 -13.168 9.760 15.164 1.00 0.00 C ATOM 1199 CG ASN A 79 -13.913 10.384 16.346 1.00 0.00 C ATOM 1200 OD1 ASN A 79 -14.123 11.583 16.417 1.00 0.00 O ATOM 1201 ND2 ASN A 79 -14.298 9.505 17.267 1.00 0.00 N ATOM 0 H ASN A 79 -12.603 9.199 12.561 1.00 0.00 H new ATOM 0 HA ASN A 79 -14.169 11.263 13.994 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -13.580 8.774 14.949 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -12.119 9.617 15.425 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -14.802 9.822 18.095 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -14.089 8.514 17.145 1.00 0.00 H new ATOM 1208 N THR A 80 -12.173 12.685 13.261 1.00 0.00 N ATOM 1209 CA THR A 80 -11.060 13.609 13.120 1.00 0.00 C ATOM 1210 C THR A 80 -10.472 13.949 14.491 1.00 0.00 C ATOM 1211 O THR A 80 -9.356 14.458 14.582 1.00 0.00 O ATOM 1212 CB THR A 80 -11.558 14.835 12.352 1.00 0.00 C ATOM 1213 OG1 THR A 80 -12.614 15.346 13.160 1.00 0.00 O ATOM 1214 CG2 THR A 80 -12.243 14.463 11.035 1.00 0.00 C ATOM 0 H THR A 80 -13.057 13.021 12.879 1.00 0.00 H new ATOM 0 HA THR A 80 -10.244 13.161 12.553 1.00 0.00 H new ATOM 0 HB THR A 80 -10.719 15.501 12.149 1.00 0.00 H new ATOM 0 HG1 THR A 80 -12.993 16.144 12.736 1.00 0.00 H new ATOM 0 HG21 THR A 80 -12.577 15.369 10.530 1.00 0.00 H new ATOM 0 HG22 THR A 80 -11.538 13.931 10.396 1.00 0.00 H new ATOM 0 HG23 THR A 80 -13.102 13.824 11.239 1.00 0.00 H new ATOM 1222 N GLU A 81 -11.249 13.653 15.522 1.00 0.00 N ATOM 1223 CA GLU A 81 -10.819 13.921 16.884 1.00 0.00 C ATOM 1224 C GLU A 81 -9.798 12.874 17.334 1.00 0.00 C ATOM 1225 O GLU A 81 -8.777 13.213 17.930 1.00 0.00 O ATOM 1226 CB GLU A 81 -12.014 13.966 17.838 1.00 0.00 C ATOM 1227 CG GLU A 81 -12.911 15.168 17.536 1.00 0.00 C ATOM 1228 CD GLU A 81 -12.120 16.476 17.609 1.00 0.00 C ATOM 1229 OE1 GLU A 81 -11.900 16.943 18.748 1.00 0.00 O ATOM 1230 OE2 GLU A 81 -11.752 16.978 16.526 1.00 0.00 O ATOM 0 H GLU A 81 -12.174 13.230 15.442 1.00 0.00 H new ATOM 0 HA GLU A 81 -10.341 14.900 16.907 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -12.591 13.045 17.748 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -11.660 14.021 18.868 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -13.349 15.059 16.544 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -13.736 15.198 18.247 1.00 0.00 H new ATOM 1237 N SER A 82 -10.110 11.622 17.032 1.00 0.00 N ATOM 1238 CA SER A 82 -9.233 10.523 17.397 1.00 0.00 C ATOM 1239 C SER A 82 -8.210 10.277 16.286 1.00 0.00 C ATOM 1240 O SER A 82 -7.182 9.642 16.513 1.00 0.00 O ATOM 1241 CB SER A 82 -10.032 9.248 17.675 1.00 0.00 C ATOM 1242 OG SER A 82 -9.769 8.725 18.973 1.00 0.00 O ATOM 0 H SER A 82 -10.958 11.345 16.538 1.00 0.00 H new ATOM 0 HA SER A 82 -8.707 10.796 18.312 1.00 0.00 H new ATOM 0 HB2 SER A 82 -11.097 9.459 17.578 1.00 0.00 H new ATOM 0 HB3 SER A 82 -9.787 8.496 16.925 1.00 0.00 H new ATOM 0 HG SER A 82 -10.299 7.913 19.112 1.00 0.00 H new ATOM 1248 N SER A 83 -8.530 10.793 15.108 1.00 0.00 N ATOM 1249 CA SER A 83 -7.652 10.637 13.960 1.00 0.00 C ATOM 1250 C SER A 83 -6.436 11.555 14.103 1.00 0.00 C ATOM 1251 O SER A 83 -6.471 12.524 14.860 1.00 0.00 O ATOM 1252 CB SER A 83 -8.393 10.936 12.655 1.00 0.00 C ATOM 1253 OG SER A 83 -9.601 10.188 12.544 1.00 0.00 O ATOM 0 H SER A 83 -9.384 11.319 14.924 1.00 0.00 H new ATOM 0 HA SER A 83 -7.315 9.601 13.925 1.00 0.00 H new ATOM 0 HB2 SER A 83 -8.620 12.001 12.603 1.00 0.00 H new ATOM 0 HB3 SER A 83 -7.745 10.706 11.809 1.00 0.00 H new ATOM 0 HG SER A 83 -10.073 10.199 13.403 1.00 0.00 H new ATOM 1259 N LEU A 84 -5.390 11.218 13.363 1.00 0.00 N ATOM 1260 CA LEU A 84 -4.166 12.000 13.397 1.00 0.00 C ATOM 1261 C LEU A 84 -3.404 11.805 12.085 1.00 0.00 C ATOM 1262 O LEU A 84 -3.850 11.067 11.208 1.00 0.00 O ATOM 1263 CB LEU A 84 -3.345 11.656 14.642 1.00 0.00 C ATOM 1264 CG LEU A 84 -2.377 10.480 14.503 1.00 0.00 C ATOM 1265 CD1 LEU A 84 -0.930 10.969 14.416 1.00 0.00 C ATOM 1266 CD2 LEU A 84 -2.573 9.471 15.635 1.00 0.00 C ATOM 0 H LEU A 84 -5.365 10.414 12.736 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.395 13.063 13.478 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -2.774 12.538 14.932 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -4.034 11.439 15.459 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.600 9.963 13.569 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -0.262 10.113 14.318 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.817 11.619 13.548 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.678 11.524 15.320 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -1.872 8.645 15.512 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -2.394 9.959 16.593 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -3.593 9.088 15.609 1.00 0.00 H new ATOM 1278 N TRP A 85 -2.268 12.480 11.992 1.00 0.00 N ATOM 1279 CA TRP A 85 -1.440 12.390 10.801 1.00 0.00 C ATOM 1280 C TRP A 85 -0.040 12.893 11.159 1.00 0.00 C ATOM 1281 O TRP A 85 0.103 13.903 11.848 1.00 0.00 O ATOM 1282 CB TRP A 85 -2.070 13.154 9.636 1.00 0.00 C ATOM 1283 CG TRP A 85 -1.550 14.584 9.476 1.00 0.00 C ATOM 1284 CD1 TRP A 85 -2.062 15.711 9.990 1.00 0.00 C ATOM 1285 CD2 TRP A 85 -0.388 14.998 8.726 1.00 0.00 C ATOM 1286 NE1 TRP A 85 -1.318 16.816 9.629 1.00 0.00 N ATOM 1287 CE2 TRP A 85 -0.268 16.368 8.836 1.00 0.00 C ATOM 1288 CE3 TRP A 85 0.531 14.239 7.981 1.00 0.00 C ATOM 1289 CZ2 TRP A 85 0.759 17.099 8.225 1.00 0.00 C ATOM 1290 CZ3 TRP A 85 1.551 14.984 7.377 1.00 0.00 C ATOM 1291 CH2 TRP A 85 1.686 16.363 7.477 1.00 0.00 C ATOM 0 H TRP A 85 -1.901 13.091 12.721 1.00 0.00 H new ATOM 0 HA TRP A 85 -1.362 11.357 10.463 1.00 0.00 H new ATOM 0 HB2 TRP A 85 -1.885 12.605 8.713 1.00 0.00 H new ATOM 0 HB3 TRP A 85 -3.150 13.185 9.777 1.00 0.00 H new ATOM 0 HD1 TRP A 85 -2.946 15.750 10.609 1.00 0.00 H new ATOM 0 HE1 TRP A 85 -1.504 17.783 9.895 1.00 0.00 H new ATOM 0 HE3 TRP A 85 0.456 13.166 7.882 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 0.832 18.172 8.325 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 2.285 14.449 6.792 1.00 0.00 H new ATOM 0 HH2 TRP A 85 2.503 16.865 6.980 1.00 0.00 H new ATOM 1302 N SER A 86 0.957 12.167 10.676 1.00 0.00 N ATOM 1303 CA SER A 86 2.340 12.528 10.937 1.00 0.00 C ATOM 1304 C SER A 86 3.116 12.612 9.621 1.00 0.00 C ATOM 1305 O SER A 86 2.757 11.960 8.642 1.00 0.00 O ATOM 1306 CB SER A 86 3.003 11.522 11.880 1.00 0.00 C ATOM 1307 OG SER A 86 2.782 11.848 13.250 1.00 0.00 O ATOM 0 H SER A 86 0.835 11.330 10.105 1.00 0.00 H new ATOM 0 HA SER A 86 2.353 13.504 11.422 1.00 0.00 H new ATOM 0 HB2 SER A 86 2.614 10.524 11.677 1.00 0.00 H new ATOM 0 HB3 SER A 86 4.075 11.492 11.683 1.00 0.00 H new ATOM 0 HG SER A 86 3.220 11.181 13.820 1.00 0.00 H new ATOM 1313 N LEU A 87 4.165 13.421 9.641 1.00 0.00 N ATOM 1314 CA LEU A 87 4.995 13.599 8.461 1.00 0.00 C ATOM 1315 C LEU A 87 6.406 13.086 8.753 1.00 0.00 C ATOM 1316 O LEU A 87 6.888 13.190 9.880 1.00 0.00 O ATOM 1317 CB LEU A 87 4.955 15.055 7.993 1.00 0.00 C ATOM 1318 CG LEU A 87 6.059 15.478 7.022 1.00 0.00 C ATOM 1319 CD1 LEU A 87 7.402 15.608 7.743 1.00 0.00 C ATOM 1320 CD2 LEU A 87 6.137 14.522 5.830 1.00 0.00 C ATOM 0 H LEU A 87 4.459 13.960 10.455 1.00 0.00 H new ATOM 0 HA LEU A 87 4.607 13.010 7.630 1.00 0.00 H new ATOM 0 HB2 LEU A 87 3.991 15.237 7.518 1.00 0.00 H new ATOM 0 HB3 LEU A 87 5.004 15.699 8.871 1.00 0.00 H new ATOM 0 HG LEU A 87 5.809 16.463 6.628 1.00 0.00 H new ATOM 0 HD11 LEU A 87 8.170 15.910 7.031 1.00 0.00 H new ATOM 0 HD12 LEU A 87 7.322 16.359 8.529 1.00 0.00 H new ATOM 0 HD13 LEU A 87 7.673 14.648 8.184 1.00 0.00 H new ATOM 0 HD21 LEU A 87 6.930 14.846 5.155 1.00 0.00 H new ATOM 0 HD22 LEU A 87 6.352 13.514 6.185 1.00 0.00 H new ATOM 0 HD23 LEU A 87 5.185 14.524 5.299 1.00 0.00 H new ATOM 1332 N GLU A 88 7.030 12.543 7.718 1.00 0.00 N ATOM 1333 CA GLU A 88 8.377 12.014 7.849 1.00 0.00 C ATOM 1334 C GLU A 88 9.291 12.617 6.781 1.00 0.00 C ATOM 1335 O GLU A 88 8.911 12.711 5.615 1.00 0.00 O ATOM 1336 CB GLU A 88 8.375 10.486 7.770 1.00 0.00 C ATOM 1337 CG GLU A 88 7.614 9.877 8.950 1.00 0.00 C ATOM 1338 CD GLU A 88 8.240 8.548 9.379 1.00 0.00 C ATOM 1339 OE1 GLU A 88 9.279 8.607 10.071 1.00 0.00 O ATOM 1340 OE2 GLU A 88 7.666 7.503 9.004 1.00 0.00 O ATOM 0 H GLU A 88 6.627 12.458 6.785 1.00 0.00 H new ATOM 0 HA GLU A 88 8.763 12.294 8.829 1.00 0.00 H new ATOM 0 HB2 GLU A 88 7.917 10.167 6.834 1.00 0.00 H new ATOM 0 HB3 GLU A 88 9.401 10.117 7.765 1.00 0.00 H new ATOM 0 HG2 GLU A 88 7.619 10.573 9.789 1.00 0.00 H new ATOM 0 HG3 GLU A 88 6.572 9.719 8.673 1.00 0.00 H new ATOM 1347 N PRO A 89 10.510 13.020 7.229 1.00 0.00 N ATOM 1348 CA PRO A 89 11.481 13.612 6.324 1.00 0.00 C ATOM 1349 C PRO A 89 12.123 12.545 5.434 1.00 0.00 C ATOM 1350 O PRO A 89 12.762 11.619 5.932 1.00 0.00 O ATOM 1351 CB PRO A 89 12.483 14.313 7.227 1.00 0.00 C ATOM 1352 CG PRO A 89 12.300 13.702 8.607 1.00 0.00 C ATOM 1353 CD PRO A 89 10.994 12.924 8.603 1.00 0.00 C ATOM 0 HA PRO A 89 11.030 14.318 5.627 1.00 0.00 H new ATOM 0 HB2 PRO A 89 13.502 14.167 6.867 1.00 0.00 H new ATOM 0 HB3 PRO A 89 12.304 15.388 7.249 1.00 0.00 H new ATOM 0 HG2 PRO A 89 13.135 13.044 8.847 1.00 0.00 H new ATOM 0 HG3 PRO A 89 12.278 14.481 9.369 1.00 0.00 H new ATOM 0 HD2 PRO A 89 11.151 11.886 8.896 1.00 0.00 H new ATOM 0 HD3 PRO A 89 10.278 13.349 9.306 1.00 0.00 H new ATOM 1361 N GLY A 90 11.929 12.710 4.134 1.00 0.00 N ATOM 1362 CA GLY A 90 12.481 11.773 3.171 1.00 0.00 C ATOM 1363 C GLY A 90 11.975 10.353 3.435 1.00 0.00 C ATOM 1364 O GLY A 90 12.762 9.410 3.493 1.00 0.00 O ATOM 0 H GLY A 90 11.397 13.479 3.725 1.00 0.00 H new ATOM 0 HA2 GLY A 90 12.206 12.079 2.162 1.00 0.00 H new ATOM 0 HA3 GLY A 90 13.570 11.791 3.224 1.00 0.00 H new ATOM 1368 N LYS A 91 10.663 10.246 3.587 1.00 0.00 N ATOM 1369 CA LYS A 91 10.042 8.958 3.843 1.00 0.00 C ATOM 1370 C LYS A 91 8.637 8.944 3.238 1.00 0.00 C ATOM 1371 O LYS A 91 8.477 8.744 2.035 1.00 0.00 O ATOM 1372 CB LYS A 91 10.071 8.637 5.339 1.00 0.00 C ATOM 1373 CG LYS A 91 9.341 7.325 5.632 1.00 0.00 C ATOM 1374 CD LYS A 91 10.138 6.460 6.611 1.00 0.00 C ATOM 1375 CE LYS A 91 9.744 4.987 6.488 1.00 0.00 C ATOM 1376 NZ LYS A 91 10.904 4.115 6.777 1.00 0.00 N ATOM 0 H LYS A 91 10.013 11.031 3.538 1.00 0.00 H new ATOM 0 HA LYS A 91 10.606 8.161 3.358 1.00 0.00 H new ATOM 0 HB2 LYS A 91 11.104 8.567 5.680 1.00 0.00 H new ATOM 0 HB3 LYS A 91 9.606 9.449 5.898 1.00 0.00 H new ATOM 0 HG2 LYS A 91 8.356 7.538 6.048 1.00 0.00 H new ATOM 0 HG3 LYS A 91 9.183 6.777 4.703 1.00 0.00 H new ATOM 0 HD2 LYS A 91 11.204 6.572 6.416 1.00 0.00 H new ATOM 0 HD3 LYS A 91 9.963 6.803 7.631 1.00 0.00 H new ATOM 0 HE2 LYS A 91 8.932 4.763 7.179 1.00 0.00 H new ATOM 0 HE3 LYS A 91 9.372 4.786 5.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 10.620 3.118 6.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 11.668 4.318 6.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 11.241 4.295 7.744 1.00 0.00 H new ATOM 1390 N CYS A 92 7.654 9.159 4.100 1.00 0.00 N ATOM 1391 CA CYS A 92 6.268 9.174 3.666 1.00 0.00 C ATOM 1392 C CYS A 92 5.428 9.834 4.762 1.00 0.00 C ATOM 1393 O CYS A 92 5.937 10.138 5.840 1.00 0.00 O ATOM 1394 CB CYS A 92 5.764 7.768 3.331 1.00 0.00 C ATOM 1395 SG CYS A 92 6.506 6.548 4.476 1.00 0.00 S ATOM 0 H CYS A 92 7.790 9.324 5.097 1.00 0.00 H new ATOM 0 HA CYS A 92 6.180 9.750 2.745 1.00 0.00 H new ATOM 0 HB2 CYS A 92 4.677 7.735 3.406 1.00 0.00 H new ATOM 0 HB3 CYS A 92 6.021 7.516 2.302 1.00 0.00 H new ATOM 0 HG CYS A 92 6.070 5.358 4.185 1.00 0.00 H new ATOM 1401 N VAL A 93 4.157 10.037 4.448 1.00 0.00 N ATOM 1402 CA VAL A 93 3.242 10.656 5.392 1.00 0.00 C ATOM 1403 C VAL A 93 2.409 9.569 6.075 1.00 0.00 C ATOM 1404 O VAL A 93 2.039 8.578 5.447 1.00 0.00 O ATOM 1405 CB VAL A 93 2.387 11.706 4.681 1.00 0.00 C ATOM 1406 CG1 VAL A 93 1.298 12.247 5.609 1.00 0.00 C ATOM 1407 CG2 VAL A 93 3.255 12.841 4.134 1.00 0.00 C ATOM 0 H VAL A 93 3.739 9.784 3.553 1.00 0.00 H new ATOM 0 HA VAL A 93 3.795 11.181 6.171 1.00 0.00 H new ATOM 0 HB VAL A 93 1.897 11.222 3.836 1.00 0.00 H new ATOM 0 HG11 VAL A 93 0.705 12.992 5.078 1.00 0.00 H new ATOM 0 HG12 VAL A 93 0.652 11.429 5.928 1.00 0.00 H new ATOM 0 HG13 VAL A 93 1.760 12.707 6.483 1.00 0.00 H new ATOM 0 HG21 VAL A 93 2.622 13.574 3.633 1.00 0.00 H new ATOM 0 HG22 VAL A 93 3.786 13.321 4.956 1.00 0.00 H new ATOM 0 HG23 VAL A 93 3.976 12.438 3.423 1.00 0.00 H new ATOM 1417 N LEU A 94 2.138 9.792 7.353 1.00 0.00 N ATOM 1418 CA LEU A 94 1.356 8.844 8.128 1.00 0.00 C ATOM 1419 C LEU A 94 -0.002 9.465 8.464 1.00 0.00 C ATOM 1420 O LEU A 94 -0.072 10.606 8.916 1.00 0.00 O ATOM 1421 CB LEU A 94 2.140 8.379 9.356 1.00 0.00 C ATOM 1422 CG LEU A 94 1.612 7.124 10.055 1.00 0.00 C ATOM 1423 CD1 LEU A 94 0.290 7.411 10.770 1.00 0.00 C ATOM 1424 CD2 LEU A 94 1.490 5.959 9.071 1.00 0.00 C ATOM 0 H LEU A 94 2.446 10.615 7.871 1.00 0.00 H new ATOM 0 HA LEU A 94 1.161 7.944 7.545 1.00 0.00 H new ATOM 0 HB2 LEU A 94 3.172 8.196 9.056 1.00 0.00 H new ATOM 0 HB3 LEU A 94 2.158 9.193 10.080 1.00 0.00 H new ATOM 0 HG LEU A 94 2.333 6.828 10.817 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -0.064 6.503 11.259 1.00 0.00 H new ATOM 0 HD12 LEU A 94 0.442 8.190 11.517 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.451 7.745 10.044 1.00 0.00 H new ATOM 0 HD21 LEU A 94 1.113 5.080 9.593 1.00 0.00 H new ATOM 0 HD22 LEU A 94 0.801 6.229 8.271 1.00 0.00 H new ATOM 0 HD23 LEU A 94 2.469 5.737 8.647 1.00 0.00 H new ATOM 1436 N VAL A 95 -1.047 8.685 8.229 1.00 0.00 N ATOM 1437 CA VAL A 95 -2.399 9.144 8.502 1.00 0.00 C ATOM 1438 C VAL A 95 -3.172 8.039 9.224 1.00 0.00 C ATOM 1439 O VAL A 95 -3.206 6.898 8.765 1.00 0.00 O ATOM 1440 CB VAL A 95 -3.071 9.593 7.202 1.00 0.00 C ATOM 1441 CG1 VAL A 95 -4.542 9.941 7.438 1.00 0.00 C ATOM 1442 CG2 VAL A 95 -2.322 10.770 6.576 1.00 0.00 C ATOM 0 H VAL A 95 -0.985 7.739 7.853 1.00 0.00 H new ATOM 0 HA VAL A 95 -2.382 10.012 9.161 1.00 0.00 H new ATOM 0 HB VAL A 95 -3.032 8.761 6.499 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -4.996 10.257 6.499 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -5.067 9.065 7.818 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -4.612 10.750 8.165 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -2.820 11.069 5.654 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -2.314 11.608 7.273 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -1.297 10.473 6.355 1.00 0.00 H new ATOM 1452 N ASN A 96 -3.774 8.416 10.342 1.00 0.00 N ATOM 1453 CA ASN A 96 -4.545 7.471 11.132 1.00 0.00 C ATOM 1454 C ASN A 96 -6.023 7.864 11.090 1.00 0.00 C ATOM 1455 O ASN A 96 -6.375 9.005 11.386 1.00 0.00 O ATOM 1456 CB ASN A 96 -4.095 7.480 12.595 1.00 0.00 C ATOM 1457 CG ASN A 96 -3.102 6.349 12.869 1.00 0.00 C ATOM 1458 OD1 ASN A 96 -3.452 5.285 13.353 1.00 0.00 O ATOM 1459 ND2 ASN A 96 -1.848 6.637 12.535 1.00 0.00 N ATOM 0 H ASN A 96 -3.744 9.363 10.720 1.00 0.00 H new ATOM 0 HA ASN A 96 -4.391 6.477 10.713 1.00 0.00 H new ATOM 0 HB2 ASN A 96 -3.634 8.439 12.832 1.00 0.00 H new ATOM 0 HB3 ASN A 96 -4.962 7.374 13.247 1.00 0.00 H new ATOM 0 HD21 ASN A 96 -1.110 5.947 12.680 1.00 0.00 H new ATOM 0 HD22 ASN A 96 -1.623 7.548 12.134 1.00 0.00 H new ATOM 1466 N LEU A 97 -6.849 6.896 10.720 1.00 0.00 N ATOM 1467 CA LEU A 97 -8.282 7.127 10.636 1.00 0.00 C ATOM 1468 C LEU A 97 -9.005 6.165 11.580 1.00 0.00 C ATOM 1469 O LEU A 97 -8.906 4.948 11.429 1.00 0.00 O ATOM 1470 CB LEU A 97 -8.754 7.034 9.184 1.00 0.00 C ATOM 1471 CG LEU A 97 -8.131 8.037 8.210 1.00 0.00 C ATOM 1472 CD1 LEU A 97 -8.900 8.068 6.888 1.00 0.00 C ATOM 1473 CD2 LEU A 97 -8.028 9.425 8.845 1.00 0.00 C ATOM 0 H LEU A 97 -6.554 5.951 10.475 1.00 0.00 H new ATOM 0 HA LEU A 97 -8.525 8.138 10.963 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -8.548 6.028 8.820 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -9.836 7.164 9.166 1.00 0.00 H new ATOM 0 HG LEU A 97 -7.116 7.709 7.985 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -8.436 8.789 6.214 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -8.879 7.078 6.431 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -9.934 8.359 7.075 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -7.582 10.119 8.132 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -9.024 9.775 9.118 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -7.405 9.371 9.738 1.00 0.00 H new ATOM 1485 N SER A 98 -9.718 6.747 12.534 1.00 0.00 N ATOM 1486 CA SER A 98 -10.458 5.957 13.503 1.00 0.00 C ATOM 1487 C SER A 98 -11.925 5.852 13.082 1.00 0.00 C ATOM 1488 O SER A 98 -12.623 6.861 12.994 1.00 0.00 O ATOM 1489 CB SER A 98 -10.350 6.562 14.904 1.00 0.00 C ATOM 1490 OG SER A 98 -10.119 5.567 15.899 1.00 0.00 O ATOM 0 H SER A 98 -9.799 7.756 12.656 1.00 0.00 H new ATOM 0 HA SER A 98 -10.023 4.958 13.533 1.00 0.00 H new ATOM 0 HB2 SER A 98 -9.538 7.289 14.923 1.00 0.00 H new ATOM 0 HB3 SER A 98 -11.268 7.102 15.137 1.00 0.00 H new ATOM 0 HG SER A 98 -10.054 5.993 16.779 1.00 0.00 H new ATOM 1496 N LYS A 99 -12.349 4.622 12.832 1.00 0.00 N ATOM 1497 CA LYS A 99 -13.720 4.372 12.422 1.00 0.00 C ATOM 1498 C LYS A 99 -14.671 4.827 13.532 1.00 0.00 C ATOM 1499 O LYS A 99 -14.378 4.656 14.714 1.00 0.00 O ATOM 1500 CB LYS A 99 -13.901 2.907 12.021 1.00 0.00 C ATOM 1501 CG LYS A 99 -12.918 2.516 10.916 1.00 0.00 C ATOM 1502 CD LYS A 99 -13.191 1.096 10.416 1.00 0.00 C ATOM 1503 CE LYS A 99 -13.085 1.022 8.891 1.00 0.00 C ATOM 1504 NZ LYS A 99 -13.733 -0.210 8.386 1.00 0.00 N ATOM 0 H LYS A 99 -11.767 3.788 12.906 1.00 0.00 H new ATOM 0 HA LYS A 99 -13.964 4.954 11.533 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -13.750 2.267 12.890 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -14.923 2.744 11.678 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -12.999 3.219 10.087 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -11.897 2.583 11.292 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -12.480 0.405 10.868 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -14.186 0.781 10.731 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -13.557 1.897 8.445 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -12.037 1.038 8.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -13.032 -0.788 7.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -14.118 -0.753 9.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -14.505 0.045 7.737 1.00 0.00 H new ATOM 1518 N VAL A 100 -15.790 5.399 13.111 1.00 0.00 N ATOM 1519 CA VAL A 100 -16.785 5.880 14.054 1.00 0.00 C ATOM 1520 C VAL A 100 -17.843 4.797 14.269 1.00 0.00 C ATOM 1521 O VAL A 100 -19.040 5.081 14.251 1.00 0.00 O ATOM 1522 CB VAL A 100 -17.375 7.203 13.562 1.00 0.00 C ATOM 1523 CG1 VAL A 100 -16.279 8.254 13.368 1.00 0.00 C ATOM 1524 CG2 VAL A 100 -18.176 7.001 12.274 1.00 0.00 C ATOM 0 H VAL A 100 -16.029 5.540 12.130 1.00 0.00 H new ATOM 0 HA VAL A 100 -16.327 6.084 15.022 1.00 0.00 H new ATOM 0 HB VAL A 100 -18.059 7.570 14.327 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -16.725 9.185 13.018 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -15.771 8.429 14.316 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -15.559 7.897 12.631 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -18.584 7.957 11.946 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -17.523 6.600 11.499 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -18.992 6.302 12.459 1.00 0.00 H new ATOM 1534 N GLY A 101 -17.364 3.577 14.467 1.00 0.00 N ATOM 1535 CA GLY A 101 -18.255 2.450 14.685 1.00 0.00 C ATOM 1536 C GLY A 101 -17.848 1.255 13.820 1.00 0.00 C ATOM 1537 O GLY A 101 -16.661 0.995 13.632 1.00 0.00 O ATOM 0 H GLY A 101 -16.371 3.345 14.481 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -18.237 2.165 15.737 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -19.279 2.741 14.451 1.00 0.00 H new ATOM 1541 N GLU A 102 -18.857 0.559 13.317 1.00 0.00 N ATOM 1542 CA GLU A 102 -18.620 -0.602 12.476 1.00 0.00 C ATOM 1543 C GLU A 102 -19.348 -0.448 11.140 1.00 0.00 C ATOM 1544 O GLU A 102 -20.528 -0.779 11.029 1.00 0.00 O ATOM 1545 CB GLU A 102 -19.045 -1.889 13.186 1.00 0.00 C ATOM 1546 CG GLU A 102 -20.487 -1.788 13.687 1.00 0.00 C ATOM 1547 CD GLU A 102 -21.233 -3.108 13.479 1.00 0.00 C ATOM 1548 OE1 GLU A 102 -20.943 -3.769 12.458 1.00 0.00 O ATOM 1549 OE2 GLU A 102 -22.076 -3.426 14.346 1.00 0.00 O ATOM 0 H GLU A 102 -19.841 0.777 13.476 1.00 0.00 H new ATOM 0 HA GLU A 102 -17.550 -0.670 12.279 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -18.952 -2.733 12.503 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -18.377 -2.083 14.025 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -20.491 -1.527 14.745 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -21.004 -0.987 13.159 1.00 0.00 H new ATOM 1556 N TYR A 103 -18.615 0.056 10.158 1.00 0.00 N ATOM 1557 CA TYR A 103 -19.176 0.258 8.833 1.00 0.00 C ATOM 1558 C TYR A 103 -18.300 -0.393 7.761 1.00 0.00 C ATOM 1559 O TYR A 103 -17.103 -0.588 7.967 1.00 0.00 O ATOM 1560 CB TYR A 103 -19.195 1.772 8.609 1.00 0.00 C ATOM 1561 CG TYR A 103 -20.137 2.528 9.548 1.00 0.00 C ATOM 1562 CD1 TYR A 103 -19.697 2.926 10.794 1.00 0.00 C ATOM 1563 CD2 TYR A 103 -21.428 2.811 9.149 1.00 0.00 C ATOM 1564 CE1 TYR A 103 -20.584 3.638 11.677 1.00 0.00 C ATOM 1565 CE2 TYR A 103 -22.315 3.522 10.033 1.00 0.00 C ATOM 1566 CZ TYR A 103 -21.849 3.900 11.253 1.00 0.00 C ATOM 1567 OH TYR A 103 -22.687 4.572 12.088 1.00 0.00 O ATOM 0 H TYR A 103 -17.637 0.330 10.254 1.00 0.00 H new ATOM 0 HA TYR A 103 -20.169 -0.187 8.765 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -18.184 2.160 8.735 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -19.488 1.973 7.578 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -18.688 2.703 11.107 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -21.773 2.499 8.174 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -20.252 3.957 12.654 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -23.327 3.750 9.734 1.00 0.00 H new ATOM 0 HH TYR A 103 -23.557 4.690 11.653 1.00 0.00 H new ATOM 1577 N TRP A 104 -18.930 -0.710 6.639 1.00 0.00 N ATOM 1578 CA TRP A 104 -18.223 -1.335 5.534 1.00 0.00 C ATOM 1579 C TRP A 104 -17.509 -0.234 4.747 1.00 0.00 C ATOM 1580 O TRP A 104 -18.156 0.633 4.161 1.00 0.00 O ATOM 1581 CB TRP A 104 -19.176 -2.165 4.672 1.00 0.00 C ATOM 1582 CG TRP A 104 -18.499 -2.861 3.490 1.00 0.00 C ATOM 1583 CD1 TRP A 104 -17.955 -2.298 2.402 1.00 0.00 C ATOM 1584 CD2 TRP A 104 -18.315 -4.282 3.319 1.00 0.00 C ATOM 1585 NE1 TRP A 104 -17.437 -3.248 1.546 1.00 0.00 N ATOM 1586 CE2 TRP A 104 -17.662 -4.493 2.122 1.00 0.00 C ATOM 1587 CE3 TRP A 104 -18.688 -5.354 4.149 1.00 0.00 C ATOM 1588 CZ2 TRP A 104 -17.325 -5.766 1.647 1.00 0.00 C ATOM 1589 CZ3 TRP A 104 -18.344 -6.620 3.660 1.00 0.00 C ATOM 1590 CH2 TRP A 104 -17.687 -6.849 2.457 1.00 0.00 C ATOM 0 H TRP A 104 -19.923 -0.546 6.472 1.00 0.00 H new ATOM 0 HA TRP A 104 -17.477 -2.039 5.902 1.00 0.00 H new ATOM 0 HB2 TRP A 104 -19.654 -2.918 5.299 1.00 0.00 H new ATOM 0 HB3 TRP A 104 -19.966 -1.516 4.294 1.00 0.00 H new ATOM 0 HD1 TRP A 104 -17.926 -1.234 2.218 1.00 0.00 H new ATOM 0 HE1 TRP A 104 -16.974 -3.070 0.655 1.00 0.00 H new ATOM 0 HE3 TRP A 104 -19.200 -5.212 5.090 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 -16.813 -5.905 0.706 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 -18.608 -7.479 4.260 1.00 0.00 H new ATOM 0 HH2 TRP A 104 -17.457 -7.858 2.148 1.00 0.00 H new ATOM 1601 N TRP A 105 -16.186 -0.305 4.758 1.00 0.00 N ATOM 1602 CA TRP A 105 -15.378 0.675 4.052 1.00 0.00 C ATOM 1603 C TRP A 105 -14.955 0.063 2.715 1.00 0.00 C ATOM 1604 O TRP A 105 -15.426 0.483 1.659 1.00 0.00 O ATOM 1605 CB TRP A 105 -14.192 1.125 4.906 1.00 0.00 C ATOM 1606 CG TRP A 105 -14.519 2.262 5.877 1.00 0.00 C ATOM 1607 CD1 TRP A 105 -15.372 2.244 6.910 1.00 0.00 C ATOM 1608 CD2 TRP A 105 -13.961 3.593 5.862 1.00 0.00 C ATOM 1609 NE1 TRP A 105 -15.404 3.461 7.560 1.00 0.00 N ATOM 1610 CE2 TRP A 105 -14.519 4.307 6.903 1.00 0.00 C ATOM 1611 CE3 TRP A 105 -13.016 4.174 4.998 1.00 0.00 C ATOM 1612 CZ2 TRP A 105 -14.196 5.642 7.177 1.00 0.00 C ATOM 1613 CZ3 TRP A 105 -12.704 5.508 5.285 1.00 0.00 C ATOM 1614 CH2 TRP A 105 -13.257 6.241 6.329 1.00 0.00 C ATOM 0 H TRP A 105 -15.653 -1.026 5.245 1.00 0.00 H new ATOM 0 HA TRP A 105 -15.953 1.580 3.854 1.00 0.00 H new ATOM 0 HB2 TRP A 105 -13.822 0.271 5.474 1.00 0.00 H new ATOM 0 HB3 TRP A 105 -13.384 1.444 4.248 1.00 0.00 H new ATOM 0 HD1 TRP A 105 -15.960 1.385 7.198 1.00 0.00 H new ATOM 0 HE1 TRP A 105 -15.973 3.696 8.373 1.00 0.00 H new ATOM 0 HE3 TRP A 105 -12.567 3.634 4.178 1.00 0.00 H new ATOM 0 HZ2 TRP A 105 -14.647 6.180 7.998 1.00 0.00 H new ATOM 0 HZ3 TRP A 105 -11.983 6.003 4.651 1.00 0.00 H new ATOM 0 HH2 TRP A 105 -12.963 7.268 6.485 1.00 0.00 H new ATOM 1625 N ASN A 106 -14.070 -0.919 2.804 1.00 0.00 N ATOM 1626 CA ASN A 106 -13.577 -1.592 1.615 1.00 0.00 C ATOM 1627 C ASN A 106 -12.499 -0.730 0.955 1.00 0.00 C ATOM 1628 O ASN A 106 -11.385 -1.195 0.720 1.00 0.00 O ATOM 1629 CB ASN A 106 -14.700 -1.806 0.598 1.00 0.00 C ATOM 1630 CG ASN A 106 -14.667 -3.228 0.034 1.00 0.00 C ATOM 1631 OD1 ASN A 106 -14.387 -3.455 -1.131 1.00 0.00 O ATOM 1632 ND2 ASN A 106 -14.967 -4.169 0.924 1.00 0.00 N ATOM 0 H ASN A 106 -13.682 -1.265 3.682 1.00 0.00 H new ATOM 0 HA ASN A 106 -13.175 -2.559 1.917 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -15.664 -1.621 1.072 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -14.601 -1.086 -0.215 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -14.972 -5.150 0.646 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -15.192 -3.909 1.884 1.00 0.00 H new ATOM 1639 N ALA A 107 -12.869 0.511 0.675 1.00 0.00 N ATOM 1640 CA ALA A 107 -11.947 1.443 0.047 1.00 0.00 C ATOM 1641 C ALA A 107 -11.833 2.701 0.911 1.00 0.00 C ATOM 1642 O ALA A 107 -12.703 2.972 1.737 1.00 0.00 O ATOM 1643 CB ALA A 107 -12.424 1.753 -1.374 1.00 0.00 C ATOM 0 H ALA A 107 -13.794 0.893 0.871 1.00 0.00 H new ATOM 0 HA ALA A 107 -10.952 1.005 -0.031 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -11.733 2.452 -1.845 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -12.460 0.831 -1.955 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -13.419 2.197 -1.335 1.00 0.00 H new ATOM 1649 N ILE A 108 -10.753 3.435 0.690 1.00 0.00 N ATOM 1650 CA ILE A 108 -10.513 4.658 1.437 1.00 0.00 C ATOM 1651 C ILE A 108 -11.403 5.772 0.884 1.00 0.00 C ATOM 1652 O ILE A 108 -12.150 6.403 1.630 1.00 0.00 O ATOM 1653 CB ILE A 108 -9.023 5.004 1.436 1.00 0.00 C ATOM 1654 CG1 ILE A 108 -8.211 3.933 2.168 1.00 0.00 C ATOM 1655 CG2 ILE A 108 -8.783 6.400 2.015 1.00 0.00 C ATOM 1656 CD1 ILE A 108 -8.234 4.165 3.680 1.00 0.00 C ATOM 0 H ILE A 108 -10.034 3.206 0.004 1.00 0.00 H new ATOM 0 HA ILE A 108 -10.784 4.523 2.484 1.00 0.00 H new ATOM 0 HB ILE A 108 -8.677 5.021 0.402 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -8.616 2.947 1.942 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -7.181 3.945 1.810 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -7.716 6.621 2.002 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -9.313 7.139 1.414 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -9.149 6.436 3.041 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -7.650 3.390 4.176 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -7.806 5.142 3.905 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -9.263 4.129 4.038 1.00 0.00 H new ATOM 1668 N LEU A 109 -11.294 5.980 -0.421 1.00 0.00 N ATOM 1669 CA LEU A 109 -12.080 7.007 -1.083 1.00 0.00 C ATOM 1670 C LEU A 109 -13.177 6.344 -1.919 1.00 0.00 C ATOM 1671 O LEU A 109 -13.172 5.128 -2.104 1.00 0.00 O ATOM 1672 CB LEU A 109 -11.173 7.940 -1.887 1.00 0.00 C ATOM 1673 CG LEU A 109 -9.957 8.497 -1.145 1.00 0.00 C ATOM 1674 CD1 LEU A 109 -9.033 9.258 -2.098 1.00 0.00 C ATOM 1675 CD2 LEU A 109 -10.387 9.358 0.045 1.00 0.00 C ATOM 0 H LEU A 109 -10.673 5.455 -1.037 1.00 0.00 H new ATOM 0 HA LEU A 109 -12.578 7.639 -0.348 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -10.821 7.402 -2.768 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -11.772 8.778 -2.243 1.00 0.00 H new ATOM 0 HG LEU A 109 -9.387 7.658 -0.746 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -8.177 9.643 -1.544 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -8.685 8.585 -2.882 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -9.578 10.088 -2.547 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -9.503 9.741 0.555 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -10.992 10.192 -0.309 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -10.972 8.754 0.738 1.00 0.00 H new ATOM 1687 N GLU A 110 -14.091 7.173 -2.402 1.00 0.00 N ATOM 1688 CA GLU A 110 -15.191 6.682 -3.214 1.00 0.00 C ATOM 1689 C GLU A 110 -14.708 6.373 -4.632 1.00 0.00 C ATOM 1690 O GLU A 110 -13.701 6.918 -5.081 1.00 0.00 O ATOM 1691 CB GLU A 110 -16.347 7.685 -3.235 1.00 0.00 C ATOM 1692 CG GLU A 110 -17.128 7.650 -1.920 1.00 0.00 C ATOM 1693 CD GLU A 110 -18.635 7.620 -2.178 1.00 0.00 C ATOM 1694 OE1 GLU A 110 -19.104 6.579 -2.687 1.00 0.00 O ATOM 1695 OE2 GLU A 110 -19.286 8.640 -1.860 1.00 0.00 O ATOM 0 H GLU A 110 -14.092 8.181 -2.247 1.00 0.00 H new ATOM 0 HA GLU A 110 -15.562 5.759 -2.768 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -15.959 8.689 -3.405 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -17.016 7.457 -4.065 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -16.837 6.772 -1.343 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -16.876 8.524 -1.320 1.00 0.00 H new