USER MOD reduce.3.24.130724 H: found=0, std=0, add=800, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 802 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 21 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 HIS : no HD1:sc= 0 X(o=0,f=-0.0091) USER MOD Single : A 28 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0549) USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 32 GLN : amide:sc= -3.02! X(o=-3!,f=-2.6) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= 0.0535 K(o=0.054,f=-0.5) USER MOD Single : A 38 HIS : no HD1:sc= -1.54! K(o=-1.5!,f=0.47) USER MOD Single : A 39 GLN : amide:sc= -1.05 K(o=-1.1,f=-0.11) USER MOD Single : A 44 ASN : amide:sc= -0.511 K(o=-0.51,f=-2.3) USER MOD Single : A 46 ASN : amide:sc= 0.633 K(o=0.63,f=0) USER MOD Single : A 47 LYS NZ :NH3+ -167:sc= -1.13 (180deg=-1.35) USER MOD Single : A 48 SER OG : rot 180:sc= -1.93! USER MOD Single : A 49 LYS NZ :NH3+ 153:sc= 1.09 (180deg=-0.372) USER MOD Single : A 52 GLN : amide:sc= -1.28 K(o=-1.3,f=-0.043) USER MOD Single : A 54 LYS NZ :NH3+ 158:sc= -0.0819 (180deg=-0.416) USER MOD Single : A 63 CYS SG : rot 180:sc= 0 USER MOD Single : A 65 MET CE :methyl -137:sc= -1.06 (180deg=-1.67) USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=-0.042) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 ASN : amide:sc= -1.09 K(o=-1.1,f=0) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= -0.243 K(o=-0.24,f=-0.96) USER MOD Single : A 95 THR OG1 : rot 63:sc= 1.21 USER MOD Single : A 97 SER OG : rot 69:sc= 1.22 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ 153:sc= 1.2 (180deg=0.483) USER MOD Single : A 107 THR OG1 : rot 72:sc= 0.892 USER MOD Single : A 109 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 110 LYS NZ :NH3+ 168:sc= -0.0533 (180deg=-0.264) USER MOD Single : A 112 LYS NZ :NH3+ -178:sc= 1.25 (180deg=1.22) USER MOD Single : A 115 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 117 GLN : amide:sc= -0.0846 X(o=-0.085,f=-0.018) USER MOD ----------------------------------------------------------------- ATOM 297 N LEU A 18 1.491 17.231 0.442 1.00 0.00 N ATOM 298 CA LEU A 18 0.436 16.301 0.022 1.00 0.00 C ATOM 299 C LEU A 18 0.945 15.254 -0.975 1.00 0.00 C ATOM 300 O LEU A 18 0.986 14.058 -0.668 1.00 0.00 O ATOM 301 CB LEU A 18 -0.740 17.078 -0.577 1.00 0.00 C ATOM 302 CG LEU A 18 -1.402 18.099 0.357 1.00 0.00 C ATOM 303 CD1 LEU A 18 -2.453 18.905 -0.386 1.00 0.00 C ATOM 304 CD2 LEU A 18 -2.019 17.405 1.565 1.00 0.00 C ATOM 0 HA LEU A 18 0.103 15.763 0.910 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.392 17.600 -1.468 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.497 16.364 -0.901 1.00 0.00 H new ATOM 0 HG LEU A 18 -0.631 18.783 0.711 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -2.910 19.623 0.295 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.985 19.437 -1.214 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -3.220 18.234 -0.773 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.483 18.148 2.214 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.774 16.694 1.230 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.242 16.876 2.117 1.00 0.00 H new ATOM 316 N ILE A 19 1.336 15.702 -2.164 1.00 0.00 N ATOM 317 CA ILE A 19 1.827 14.791 -3.190 1.00 0.00 C ATOM 318 C ILE A 19 3.142 14.168 -2.762 1.00 0.00 C ATOM 319 O ILE A 19 3.397 13.006 -3.028 1.00 0.00 O ATOM 320 CB ILE A 19 1.981 15.495 -4.571 1.00 0.00 C ATOM 321 CG1 ILE A 19 0.599 15.800 -5.155 1.00 0.00 C ATOM 322 CG2 ILE A 19 2.794 14.641 -5.552 1.00 0.00 C ATOM 323 CD1 ILE A 19 -0.244 14.556 -5.402 1.00 0.00 C ATOM 0 H ILE A 19 1.322 16.684 -2.439 1.00 0.00 H new ATOM 0 HA ILE A 19 1.083 14.003 -3.308 1.00 0.00 H new ATOM 0 HB ILE A 19 2.524 16.427 -4.416 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.064 16.463 -4.475 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.721 16.339 -6.095 1.00 0.00 H new ATOM 0 HG21 ILE A 19 2.881 15.164 -6.504 1.00 0.00 H new ATOM 0 HG22 ILE A 19 3.789 14.465 -5.143 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.291 13.686 -5.707 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.209 14.847 -5.816 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.270 13.902 -6.106 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -0.397 14.028 -4.461 1.00 0.00 H new ATOM 335 N GLU A 20 3.956 14.950 -2.079 1.00 0.00 N ATOM 336 CA GLU A 20 5.241 14.493 -1.566 1.00 0.00 C ATOM 337 C GLU A 20 5.077 13.255 -0.682 1.00 0.00 C ATOM 338 O GLU A 20 5.813 12.276 -0.830 1.00 0.00 O ATOM 339 CB GLU A 20 5.922 15.615 -0.780 1.00 0.00 C ATOM 340 CG GLU A 20 6.562 16.704 -1.643 1.00 0.00 C ATOM 341 CD GLU A 20 5.641 17.246 -2.723 1.00 0.00 C ATOM 342 OE1 GLU A 20 4.489 17.607 -2.409 1.00 0.00 O ATOM 343 OE2 GLU A 20 6.069 17.293 -3.896 1.00 0.00 O ATOM 0 H GLU A 20 3.747 15.924 -1.862 1.00 0.00 H new ATOM 0 HA GLU A 20 5.866 14.220 -2.416 1.00 0.00 H new ATOM 0 HB2 GLU A 20 5.186 16.078 -0.122 1.00 0.00 H new ATOM 0 HB3 GLU A 20 6.690 15.178 -0.142 1.00 0.00 H new ATOM 0 HG2 GLU A 20 6.877 17.526 -1.000 1.00 0.00 H new ATOM 0 HG3 GLU A 20 7.461 16.303 -2.112 1.00 0.00 H new ATOM 350 N GLN A 21 4.108 13.297 0.226 1.00 0.00 N ATOM 351 CA GLN A 21 3.854 12.168 1.105 1.00 0.00 C ATOM 352 C GLN A 21 3.350 10.974 0.305 1.00 0.00 C ATOM 353 O GLN A 21 3.833 9.849 0.476 1.00 0.00 O ATOM 354 CB GLN A 21 2.857 12.538 2.205 1.00 0.00 C ATOM 355 CG GLN A 21 2.625 11.424 3.214 1.00 0.00 C ATOM 356 CD GLN A 21 1.732 11.842 4.363 1.00 0.00 C ATOM 357 OE1 GLN A 21 0.857 12.689 4.214 1.00 0.00 O ATOM 358 NE2 GLN A 21 1.953 11.249 5.522 1.00 0.00 N ATOM 0 H GLN A 21 3.491 14.096 0.370 1.00 0.00 H new ATOM 0 HA GLN A 21 4.794 11.895 1.584 1.00 0.00 H new ATOM 0 HB2 GLN A 21 3.218 13.423 2.729 1.00 0.00 H new ATOM 0 HB3 GLN A 21 1.905 12.806 1.746 1.00 0.00 H new ATOM 0 HG2 GLN A 21 2.178 10.569 2.706 1.00 0.00 H new ATOM 0 HG3 GLN A 21 3.586 11.094 3.609 1.00 0.00 H new ATOM 0 HE21 GLN A 21 2.691 10.549 5.604 1.00 0.00 H new ATOM 0 HE22 GLN A 21 1.386 11.490 6.335 1.00 0.00 H new ATOM 367 N ALA A 22 2.368 11.221 -0.567 1.00 0.00 N ATOM 368 CA ALA A 22 1.834 10.181 -1.444 1.00 0.00 C ATOM 369 C ALA A 22 2.945 9.542 -2.270 1.00 0.00 C ATOM 370 O ALA A 22 3.006 8.324 -2.420 1.00 0.00 O ATOM 371 CB ALA A 22 0.771 10.762 -2.365 1.00 0.00 C ATOM 0 H ALA A 22 1.928 12.134 -0.683 1.00 0.00 H new ATOM 0 HA ALA A 22 1.382 9.411 -0.819 1.00 0.00 H new ATOM 0 HB1 ALA A 22 0.382 9.976 -3.013 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -0.042 11.175 -1.768 1.00 0.00 H new ATOM 0 HB3 ALA A 22 1.210 11.551 -2.975 1.00 0.00 H new ATOM 377 N ASN A 23 3.825 10.394 -2.784 1.00 0.00 N ATOM 378 CA ASN A 23 4.957 9.978 -3.602 1.00 0.00 C ATOM 379 C ASN A 23 5.858 9.050 -2.805 1.00 0.00 C ATOM 380 O ASN A 23 6.320 8.029 -3.311 1.00 0.00 O ATOM 381 CB ASN A 23 5.747 11.208 -4.075 1.00 0.00 C ATOM 382 CG ASN A 23 6.773 10.888 -5.147 1.00 0.00 C ATOM 383 OD1 ASN A 23 7.924 10.558 -4.852 1.00 0.00 O ATOM 384 ND2 ASN A 23 6.368 11.006 -6.400 1.00 0.00 N ATOM 0 H ASN A 23 3.772 11.403 -2.643 1.00 0.00 H new ATOM 0 HA ASN A 23 4.586 9.444 -4.477 1.00 0.00 H new ATOM 0 HB2 ASN A 23 5.050 11.953 -4.460 1.00 0.00 H new ATOM 0 HB3 ASN A 23 6.253 11.657 -3.220 1.00 0.00 H new ATOM 0 HD21 ASN A 23 7.017 10.822 -7.165 1.00 0.00 H new ATOM 0 HD22 ASN A 23 5.407 11.281 -6.601 1.00 0.00 H new ATOM 391 N HIS A 24 6.085 9.401 -1.547 1.00 0.00 N ATOM 392 CA HIS A 24 6.892 8.577 -0.669 1.00 0.00 C ATOM 393 C HIS A 24 6.214 7.232 -0.433 1.00 0.00 C ATOM 394 O HIS A 24 6.863 6.186 -0.499 1.00 0.00 O ATOM 395 CB HIS A 24 7.158 9.286 0.672 1.00 0.00 C ATOM 396 CG HIS A 24 7.993 8.491 1.640 1.00 0.00 C ATOM 397 ND1 HIS A 24 7.523 8.057 2.861 1.00 0.00 N ATOM 398 CD2 HIS A 24 9.278 8.064 1.566 1.00 0.00 C ATOM 399 CE1 HIS A 24 8.477 7.402 3.492 1.00 0.00 C ATOM 400 NE2 HIS A 24 9.549 7.391 2.729 1.00 0.00 N ATOM 0 H HIS A 24 5.721 10.250 -1.115 1.00 0.00 H new ATOM 0 HA HIS A 24 7.852 8.407 -1.156 1.00 0.00 H new ATOM 0 HB2 HIS A 24 7.657 10.235 0.475 1.00 0.00 H new ATOM 0 HB3 HIS A 24 6.202 9.520 1.142 1.00 0.00 H new ATOM 0 HD2 HIS A 24 9.960 8.224 0.744 1.00 0.00 H new ATOM 0 HE1 HIS A 24 8.393 6.951 4.470 1.00 0.00 H new ATOM 0 HE2 HIS A 24 10.439 6.952 2.965 1.00 0.00 H new ATOM 409 N ALA A 25 4.908 7.255 -0.164 1.00 0.00 N ATOM 410 CA ALA A 25 4.154 6.038 0.090 1.00 0.00 C ATOM 411 C ALA A 25 4.119 5.111 -1.121 1.00 0.00 C ATOM 412 O ALA A 25 4.330 3.910 -0.980 1.00 0.00 O ATOM 413 CB ALA A 25 2.740 6.383 0.530 1.00 0.00 C ATOM 0 H ALA A 25 4.353 8.110 -0.117 1.00 0.00 H new ATOM 0 HA ALA A 25 4.665 5.501 0.889 1.00 0.00 H new ATOM 0 HB1 ALA A 25 2.183 5.465 0.718 1.00 0.00 H new ATOM 0 HB2 ALA A 25 2.778 6.978 1.443 1.00 0.00 H new ATOM 0 HB3 ALA A 25 2.244 6.954 -0.255 1.00 0.00 H new ATOM 419 N ILE A 26 3.851 5.656 -2.308 1.00 0.00 N ATOM 420 CA ILE A 26 3.789 4.825 -3.510 1.00 0.00 C ATOM 421 C ILE A 26 5.154 4.223 -3.830 1.00 0.00 C ATOM 422 O ILE A 26 5.245 3.082 -4.273 1.00 0.00 O ATOM 423 CB ILE A 26 3.221 5.572 -4.750 1.00 0.00 C ATOM 424 CG1 ILE A 26 4.049 6.818 -5.077 1.00 0.00 C ATOM 425 CG2 ILE A 26 1.761 5.938 -4.523 1.00 0.00 C ATOM 426 CD1 ILE A 26 3.585 7.553 -6.320 1.00 0.00 C ATOM 0 H ILE A 26 3.677 6.649 -2.462 1.00 0.00 H new ATOM 0 HA ILE A 26 3.087 4.022 -3.283 1.00 0.00 H new ATOM 0 HB ILE A 26 3.283 4.901 -5.607 1.00 0.00 H new ATOM 0 HG12 ILE A 26 4.012 7.500 -4.228 1.00 0.00 H new ATOM 0 HG13 ILE A 26 5.091 6.526 -5.207 1.00 0.00 H new ATOM 0 HG21 ILE A 26 1.376 6.460 -5.399 1.00 0.00 H new ATOM 0 HG22 ILE A 26 1.180 5.031 -4.357 1.00 0.00 H new ATOM 0 HG23 ILE A 26 1.680 6.585 -3.650 1.00 0.00 H new ATOM 0 HD11 ILE A 26 4.220 8.423 -6.486 1.00 0.00 H new ATOM 0 HD12 ILE A 26 3.649 6.888 -7.181 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.553 7.877 -6.187 1.00 0.00 H new ATOM 438 N GLU A 27 6.218 4.988 -3.587 1.00 0.00 N ATOM 439 CA GLU A 27 7.570 4.480 -3.769 1.00 0.00 C ATOM 440 C GLU A 27 7.839 3.339 -2.799 1.00 0.00 C ATOM 441 O GLU A 27 8.450 2.323 -3.163 1.00 0.00 O ATOM 442 CB GLU A 27 8.603 5.585 -3.570 1.00 0.00 C ATOM 443 CG GLU A 27 8.912 6.367 -4.832 1.00 0.00 C ATOM 444 CD GLU A 27 9.563 5.498 -5.884 1.00 0.00 C ATOM 445 OE1 GLU A 27 10.659 4.960 -5.611 1.00 0.00 O ATOM 446 OE2 GLU A 27 8.989 5.347 -6.982 1.00 0.00 O ATOM 0 H GLU A 27 6.167 5.955 -3.266 1.00 0.00 H new ATOM 0 HA GLU A 27 7.656 4.110 -4.791 1.00 0.00 H new ATOM 0 HB2 GLU A 27 8.242 6.274 -2.806 1.00 0.00 H new ATOM 0 HB3 GLU A 27 9.525 5.144 -3.192 1.00 0.00 H new ATOM 0 HG2 GLU A 27 7.991 6.793 -5.231 1.00 0.00 H new ATOM 0 HG3 GLU A 27 9.571 7.201 -4.591 1.00 0.00 H new ATOM 453 N LYS A 28 7.372 3.503 -1.570 1.00 0.00 N ATOM 454 CA LYS A 28 7.524 2.483 -0.551 1.00 0.00 C ATOM 455 C LYS A 28 6.716 1.247 -0.958 1.00 0.00 C ATOM 456 O LYS A 28 7.198 0.112 -0.861 1.00 0.00 O ATOM 457 CB LYS A 28 7.045 3.032 0.807 1.00 0.00 C ATOM 458 CG LYS A 28 7.622 2.326 2.032 1.00 0.00 C ATOM 459 CD LYS A 28 7.049 0.934 2.232 1.00 0.00 C ATOM 460 CE LYS A 28 7.637 0.281 3.468 1.00 0.00 C ATOM 461 NZ LYS A 28 7.073 -1.066 3.715 1.00 0.00 N ATOM 0 H LYS A 28 6.882 4.340 -1.256 1.00 0.00 H new ATOM 0 HA LYS A 28 8.573 2.202 -0.454 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.300 4.090 0.864 1.00 0.00 H new ATOM 0 HB3 LYS A 28 5.958 2.963 0.846 1.00 0.00 H new ATOM 0 HG2 LYS A 28 8.705 2.257 1.930 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.423 2.927 2.919 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.965 0.993 2.327 1.00 0.00 H new ATOM 0 HD3 LYS A 28 7.259 0.320 1.356 1.00 0.00 H new ATOM 0 HE2 LYS A 28 8.719 0.205 3.356 1.00 0.00 H new ATOM 0 HE3 LYS A 28 7.450 0.915 4.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 7.359 -1.394 4.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 6.035 -1.023 3.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 7.428 -1.728 2.996 1.00 0.00 H new ATOM 475 N GLY A 29 5.489 1.491 -1.425 1.00 0.00 N ATOM 476 CA GLY A 29 4.628 0.426 -1.898 1.00 0.00 C ATOM 477 C GLY A 29 5.267 -0.373 -3.011 1.00 0.00 C ATOM 478 O GLY A 29 5.211 -1.594 -3.015 1.00 0.00 O ATOM 0 H GLY A 29 5.077 2.422 -1.482 1.00 0.00 H new ATOM 0 HA2 GLY A 29 4.386 -0.239 -1.069 1.00 0.00 H new ATOM 0 HA3 GLY A 29 3.688 0.851 -2.251 1.00 0.00 H new ATOM 482 N GLU A 30 5.896 0.337 -3.942 1.00 0.00 N ATOM 483 CA GLU A 30 6.590 -0.290 -5.062 1.00 0.00 C ATOM 484 C GLU A 30 7.631 -1.264 -4.557 1.00 0.00 C ATOM 485 O GLU A 30 7.715 -2.394 -5.016 1.00 0.00 O ATOM 486 CB GLU A 30 7.266 0.770 -5.934 1.00 0.00 C ATOM 487 CG GLU A 30 6.334 1.485 -6.888 1.00 0.00 C ATOM 488 CD GLU A 30 5.814 0.578 -7.980 1.00 0.00 C ATOM 489 OE1 GLU A 30 6.498 0.447 -9.020 1.00 0.00 O ATOM 490 OE2 GLU A 30 4.732 0.005 -7.819 1.00 0.00 O ATOM 0 H GLU A 30 5.939 1.356 -3.942 1.00 0.00 H new ATOM 0 HA GLU A 30 5.854 -0.828 -5.660 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.738 1.508 -5.286 1.00 0.00 H new ATOM 0 HB3 GLU A 30 8.061 0.296 -6.510 1.00 0.00 H new ATOM 0 HG2 GLU A 30 5.492 1.895 -6.330 1.00 0.00 H new ATOM 0 HG3 GLU A 30 6.858 2.328 -7.339 1.00 0.00 H new ATOM 497 N HIS A 31 8.397 -0.817 -3.575 1.00 0.00 N ATOM 498 CA HIS A 31 9.471 -1.615 -3.018 1.00 0.00 C ATOM 499 C HIS A 31 8.932 -2.875 -2.339 1.00 0.00 C ATOM 500 O HIS A 31 9.410 -3.970 -2.599 1.00 0.00 O ATOM 501 CB HIS A 31 10.292 -0.785 -2.022 1.00 0.00 C ATOM 502 CG HIS A 31 11.464 -1.517 -1.431 1.00 0.00 C ATOM 503 ND1 HIS A 31 11.459 -2.049 -0.159 1.00 0.00 N ATOM 504 CD2 HIS A 31 12.683 -1.798 -1.946 1.00 0.00 C ATOM 505 CE1 HIS A 31 12.620 -2.622 0.080 1.00 0.00 C ATOM 506 NE2 HIS A 31 13.381 -2.485 -0.987 1.00 0.00 N ATOM 0 H HIS A 31 8.291 0.102 -3.146 1.00 0.00 H new ATOM 0 HA HIS A 31 10.118 -1.925 -3.839 1.00 0.00 H new ATOM 0 HB2 HIS A 31 10.654 0.112 -2.525 1.00 0.00 H new ATOM 0 HB3 HIS A 31 9.638 -0.456 -1.214 1.00 0.00 H new ATOM 0 HD2 HIS A 31 13.040 -1.531 -2.930 1.00 0.00 H new ATOM 0 HE1 HIS A 31 12.901 -3.120 0.996 1.00 0.00 H new ATOM 0 HE2 HIS A 31 14.335 -2.834 -1.084 1.00 0.00 H new ATOM 515 N GLN A 32 7.930 -2.710 -1.483 1.00 0.00 N ATOM 516 CA GLN A 32 7.379 -3.841 -0.738 1.00 0.00 C ATOM 517 C GLN A 32 6.584 -4.786 -1.644 1.00 0.00 C ATOM 518 O GLN A 32 6.586 -5.996 -1.427 1.00 0.00 O ATOM 519 CB GLN A 32 6.541 -3.348 0.470 1.00 0.00 C ATOM 520 CG GLN A 32 5.268 -2.566 0.127 1.00 0.00 C ATOM 521 CD GLN A 32 4.071 -3.451 -0.232 1.00 0.00 C ATOM 522 OE1 GLN A 32 3.223 -3.064 -1.025 1.00 0.00 O ATOM 523 NE2 GLN A 32 3.989 -4.632 0.366 1.00 0.00 N ATOM 0 H GLN A 32 7.484 -1.814 -1.287 1.00 0.00 H new ATOM 0 HA GLN A 32 8.214 -4.421 -0.344 1.00 0.00 H new ATOM 0 HB2 GLN A 32 6.262 -4.213 1.071 1.00 0.00 H new ATOM 0 HB3 GLN A 32 7.175 -2.718 1.094 1.00 0.00 H new ATOM 0 HG2 GLN A 32 5.000 -1.937 0.976 1.00 0.00 H new ATOM 0 HG3 GLN A 32 5.478 -1.899 -0.709 1.00 0.00 H new ATOM 0 HE21 GLN A 32 4.714 -4.923 1.022 1.00 0.00 H new ATOM 0 HE22 GLN A 32 3.201 -5.249 0.170 1.00 0.00 H new ATOM 532 N LEU A 33 5.929 -4.245 -2.665 1.00 0.00 N ATOM 533 CA LEU A 33 5.169 -5.071 -3.591 1.00 0.00 C ATOM 534 C LEU A 33 6.112 -5.916 -4.430 1.00 0.00 C ATOM 535 O LEU A 33 5.958 -7.135 -4.505 1.00 0.00 O ATOM 536 CB LEU A 33 4.247 -4.198 -4.476 1.00 0.00 C ATOM 537 CG LEU A 33 3.393 -4.921 -5.554 1.00 0.00 C ATOM 538 CD1 LEU A 33 4.153 -5.041 -6.863 1.00 0.00 C ATOM 539 CD2 LEU A 33 2.933 -6.304 -5.072 1.00 0.00 C ATOM 0 H LEU A 33 5.910 -3.246 -2.870 1.00 0.00 H new ATOM 0 HA LEU A 33 4.529 -5.744 -3.021 1.00 0.00 H new ATOM 0 HB2 LEU A 33 3.569 -3.653 -3.820 1.00 0.00 H new ATOM 0 HB3 LEU A 33 4.868 -3.457 -4.980 1.00 0.00 H new ATOM 0 HG LEU A 33 2.505 -4.312 -5.726 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.532 -5.551 -7.599 1.00 0.00 H new ATOM 0 HD12 LEU A 33 4.407 -4.046 -7.229 1.00 0.00 H new ATOM 0 HD13 LEU A 33 5.067 -5.612 -6.702 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.338 -6.781 -5.851 1.00 0.00 H new ATOM 0 HD22 LEU A 33 3.804 -6.921 -4.851 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.329 -6.193 -4.171 1.00 0.00 H new ATOM 551 N LEU A 34 7.115 -5.280 -5.024 1.00 0.00 N ATOM 552 CA LEU A 34 8.070 -5.993 -5.855 1.00 0.00 C ATOM 553 C LEU A 34 8.845 -6.995 -5.008 1.00 0.00 C ATOM 554 O LEU A 34 9.199 -8.077 -5.474 1.00 0.00 O ATOM 555 CB LEU A 34 9.025 -4.997 -6.523 1.00 0.00 C ATOM 556 CG LEU A 34 8.367 -3.978 -7.464 1.00 0.00 C ATOM 557 CD1 LEU A 34 9.348 -2.878 -7.843 1.00 0.00 C ATOM 558 CD2 LEU A 34 7.830 -4.667 -8.711 1.00 0.00 C ATOM 0 H LEU A 34 7.285 -4.277 -4.945 1.00 0.00 H new ATOM 0 HA LEU A 34 7.536 -6.537 -6.634 1.00 0.00 H new ATOM 0 HB2 LEU A 34 9.558 -4.453 -5.743 1.00 0.00 H new ATOM 0 HB3 LEU A 34 9.770 -5.558 -7.087 1.00 0.00 H new ATOM 0 HG LEU A 34 7.530 -3.521 -6.936 1.00 0.00 H new ATOM 0 HD11 LEU A 34 8.859 -2.168 -8.510 1.00 0.00 H new ATOM 0 HD12 LEU A 34 9.680 -2.361 -6.943 1.00 0.00 H new ATOM 0 HD13 LEU A 34 10.209 -3.316 -8.348 1.00 0.00 H new ATOM 0 HD21 LEU A 34 7.368 -3.927 -9.365 1.00 0.00 H new ATOM 0 HD22 LEU A 34 8.649 -5.156 -9.238 1.00 0.00 H new ATOM 0 HD23 LEU A 34 7.088 -5.412 -8.424 1.00 0.00 H new ATOM 570 N TYR A 35 9.072 -6.635 -3.752 1.00 0.00 N ATOM 571 CA TYR A 35 9.765 -7.500 -2.819 1.00 0.00 C ATOM 572 C TYR A 35 8.932 -8.741 -2.532 1.00 0.00 C ATOM 573 O TYR A 35 9.412 -9.871 -2.660 1.00 0.00 O ATOM 574 CB TYR A 35 10.076 -6.757 -1.514 1.00 0.00 C ATOM 575 CG TYR A 35 10.731 -7.620 -0.459 1.00 0.00 C ATOM 576 CD1 TYR A 35 12.067 -7.980 -0.558 1.00 0.00 C ATOM 577 CD2 TYR A 35 10.009 -8.075 0.640 1.00 0.00 C ATOM 578 CE1 TYR A 35 12.666 -8.768 0.404 1.00 0.00 C ATOM 579 CE2 TYR A 35 10.602 -8.862 1.605 1.00 0.00 C ATOM 580 CZ TYR A 35 11.930 -9.205 1.483 1.00 0.00 C ATOM 581 OH TYR A 35 12.526 -9.988 2.447 1.00 0.00 O ATOM 0 H TYR A 35 8.782 -5.740 -3.357 1.00 0.00 H new ATOM 0 HA TYR A 35 10.708 -7.805 -3.272 1.00 0.00 H new ATOM 0 HB2 TYR A 35 10.728 -5.912 -1.735 1.00 0.00 H new ATOM 0 HB3 TYR A 35 9.150 -6.347 -1.111 1.00 0.00 H new ATOM 0 HD1 TYR A 35 12.648 -7.638 -1.402 1.00 0.00 H new ATOM 0 HD2 TYR A 35 8.967 -7.808 0.739 1.00 0.00 H new ATOM 0 HE1 TYR A 35 13.707 -9.041 0.311 1.00 0.00 H new ATOM 0 HE2 TYR A 35 10.028 -9.207 2.452 1.00 0.00 H new ATOM 0 HH TYR A 35 11.870 -10.210 3.140 1.00 0.00 H new ATOM 591 N LEU A 36 7.669 -8.520 -2.154 1.00 0.00 N ATOM 592 CA LEU A 36 6.748 -9.594 -1.819 1.00 0.00 C ATOM 593 C LEU A 36 6.548 -10.533 -3.009 1.00 0.00 C ATOM 594 O LEU A 36 6.392 -11.742 -2.828 1.00 0.00 O ATOM 595 CB LEU A 36 5.403 -8.994 -1.352 1.00 0.00 C ATOM 596 CG LEU A 36 4.476 -9.907 -0.526 1.00 0.00 C ATOM 597 CD1 LEU A 36 3.469 -9.071 0.244 1.00 0.00 C ATOM 598 CD2 LEU A 36 3.744 -10.893 -1.420 1.00 0.00 C ATOM 0 H LEU A 36 7.263 -7.588 -2.074 1.00 0.00 H new ATOM 0 HA LEU A 36 7.171 -10.184 -1.006 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.617 -8.104 -0.760 1.00 0.00 H new ATOM 0 HB3 LEU A 36 4.855 -8.665 -2.235 1.00 0.00 H new ATOM 0 HG LEU A 36 5.094 -10.468 0.175 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.819 -9.727 0.824 1.00 0.00 H new ATOM 0 HD12 LEU A 36 3.996 -8.395 0.917 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.867 -8.490 -0.455 1.00 0.00 H new ATOM 0 HD21 LEU A 36 3.097 -11.525 -0.812 1.00 0.00 H new ATOM 0 HD22 LEU A 36 3.140 -10.348 -2.146 1.00 0.00 H new ATOM 0 HD23 LEU A 36 4.469 -11.515 -1.945 1.00 0.00 H new ATOM 610 N GLN A 37 6.573 -9.978 -4.228 1.00 0.00 N ATOM 611 CA GLN A 37 6.423 -10.794 -5.432 1.00 0.00 C ATOM 612 C GLN A 37 7.519 -11.861 -5.487 1.00 0.00 C ATOM 613 O GLN A 37 7.276 -12.998 -5.895 1.00 0.00 O ATOM 614 CB GLN A 37 6.483 -9.938 -6.699 1.00 0.00 C ATOM 615 CG GLN A 37 5.313 -8.985 -6.872 1.00 0.00 C ATOM 616 CD GLN A 37 5.347 -8.277 -8.213 1.00 0.00 C ATOM 617 OE1 GLN A 37 6.415 -8.060 -8.787 1.00 0.00 O ATOM 618 NE2 GLN A 37 4.190 -7.905 -8.716 1.00 0.00 N ATOM 0 H GLN A 37 6.694 -8.980 -4.402 1.00 0.00 H new ATOM 0 HA GLN A 37 5.445 -11.273 -5.386 1.00 0.00 H new ATOM 0 HB2 GLN A 37 7.407 -9.360 -6.688 1.00 0.00 H new ATOM 0 HB3 GLN A 37 6.529 -10.597 -7.566 1.00 0.00 H new ATOM 0 HG2 GLN A 37 4.379 -9.538 -6.778 1.00 0.00 H new ATOM 0 HG3 GLN A 37 5.327 -8.245 -6.072 1.00 0.00 H new ATOM 0 HE21 GLN A 37 3.327 -8.103 -8.210 1.00 0.00 H new ATOM 0 HE22 GLN A 37 4.156 -7.419 -9.612 1.00 0.00 H new ATOM 627 N HIS A 38 8.721 -11.486 -5.056 1.00 0.00 N ATOM 628 CA HIS A 38 9.843 -12.416 -5.027 1.00 0.00 C ATOM 629 C HIS A 38 9.593 -13.524 -4.018 1.00 0.00 C ATOM 630 O HIS A 38 9.926 -14.701 -4.258 1.00 0.00 O ATOM 631 CB HIS A 38 11.152 -11.696 -4.694 1.00 0.00 C ATOM 632 CG HIS A 38 11.742 -10.945 -5.846 1.00 0.00 C ATOM 633 ND1 HIS A 38 12.622 -11.512 -6.736 1.00 0.00 N ATOM 634 CD2 HIS A 38 11.581 -9.665 -6.249 1.00 0.00 C ATOM 635 CE1 HIS A 38 12.977 -10.618 -7.632 1.00 0.00 C ATOM 636 NE2 HIS A 38 12.362 -9.489 -7.361 1.00 0.00 N ATOM 0 H HIS A 38 8.941 -10.547 -4.723 1.00 0.00 H new ATOM 0 HA HIS A 38 9.934 -12.853 -6.021 1.00 0.00 H new ATOM 0 HB2 HIS A 38 10.974 -11.001 -3.873 1.00 0.00 H new ATOM 0 HB3 HIS A 38 11.878 -12.428 -4.340 1.00 0.00 H new ATOM 0 HD2 HIS A 38 10.954 -8.920 -5.782 1.00 0.00 H new ATOM 0 HE1 HIS A 38 13.659 -10.784 -8.453 1.00 0.00 H new ATOM 0 HE2 HIS A 38 12.451 -8.623 -7.892 1.00 0.00 H new ATOM 645 N GLN A 39 8.988 -13.162 -2.891 1.00 0.00 N ATOM 646 CA GLN A 39 8.698 -14.122 -1.852 1.00 0.00 C ATOM 647 C GLN A 39 7.620 -15.086 -2.313 1.00 0.00 C ATOM 648 O GLN A 39 7.705 -16.283 -2.064 1.00 0.00 O ATOM 649 CB GLN A 39 8.284 -13.419 -0.557 1.00 0.00 C ATOM 650 CG GLN A 39 9.322 -12.423 -0.043 1.00 0.00 C ATOM 651 CD GLN A 39 10.692 -13.047 0.192 1.00 0.00 C ATOM 652 OE1 GLN A 39 11.717 -12.389 0.038 1.00 0.00 O ATOM 653 NE2 GLN A 39 10.719 -14.311 0.571 1.00 0.00 N ATOM 0 H GLN A 39 8.692 -12.209 -2.682 1.00 0.00 H new ATOM 0 HA GLN A 39 9.605 -14.691 -1.646 1.00 0.00 H new ATOM 0 HB2 GLN A 39 7.342 -12.896 -0.722 1.00 0.00 H new ATOM 0 HB3 GLN A 39 8.101 -14.170 0.212 1.00 0.00 H new ATOM 0 HG2 GLN A 39 9.420 -11.608 -0.760 1.00 0.00 H new ATOM 0 HG3 GLN A 39 8.965 -11.986 0.889 1.00 0.00 H new ATOM 0 HE21 GLN A 39 9.847 -14.827 0.689 1.00 0.00 H new ATOM 0 HE22 GLN A 39 11.612 -14.772 0.746 1.00 0.00 H new ATOM 662 N LEU A 40 6.587 -14.539 -2.968 1.00 0.00 N ATOM 663 CA LEU A 40 5.523 -15.345 -3.570 1.00 0.00 C ATOM 664 C LEU A 40 6.104 -16.431 -4.459 1.00 0.00 C ATOM 665 O LEU A 40 5.717 -17.590 -4.362 1.00 0.00 O ATOM 666 CB LEU A 40 4.580 -14.458 -4.395 1.00 0.00 C ATOM 667 CG LEU A 40 3.596 -15.203 -5.313 1.00 0.00 C ATOM 668 CD1 LEU A 40 2.597 -16.010 -4.500 1.00 0.00 C ATOM 669 CD2 LEU A 40 2.879 -14.231 -6.234 1.00 0.00 C ATOM 0 H LEU A 40 6.468 -13.534 -3.093 1.00 0.00 H new ATOM 0 HA LEU A 40 4.961 -15.814 -2.762 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.007 -13.833 -3.710 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.184 -13.789 -5.008 1.00 0.00 H new ATOM 0 HG LEU A 40 4.169 -15.897 -5.928 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.913 -16.527 -5.173 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.129 -16.741 -3.892 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.031 -15.341 -3.851 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.188 -14.779 -6.875 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.324 -13.507 -5.638 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.610 -13.709 -6.852 1.00 0.00 H new ATOM 681 N ASP A 41 7.047 -16.046 -5.314 1.00 0.00 N ATOM 682 CA ASP A 41 7.696 -16.982 -6.227 1.00 0.00 C ATOM 683 C ASP A 41 8.344 -18.126 -5.448 1.00 0.00 C ATOM 684 O ASP A 41 8.281 -19.287 -5.849 1.00 0.00 O ATOM 685 CB ASP A 41 8.738 -16.244 -7.066 1.00 0.00 C ATOM 686 CG ASP A 41 9.317 -17.092 -8.174 1.00 0.00 C ATOM 687 OD1 ASP A 41 8.556 -17.498 -9.073 1.00 0.00 O ATOM 688 OD2 ASP A 41 10.546 -17.312 -8.177 1.00 0.00 O ATOM 0 H ASP A 41 7.381 -15.085 -5.394 1.00 0.00 H new ATOM 0 HA ASP A 41 6.945 -17.408 -6.892 1.00 0.00 H new ATOM 0 HB2 ASP A 41 8.282 -15.353 -7.499 1.00 0.00 H new ATOM 0 HB3 ASP A 41 9.545 -15.906 -6.416 1.00 0.00 H new ATOM 693 N GLU A 42 8.949 -17.777 -4.320 1.00 0.00 N ATOM 694 CA GLU A 42 9.549 -18.769 -3.436 1.00 0.00 C ATOM 695 C GLU A 42 8.452 -19.650 -2.809 1.00 0.00 C ATOM 696 O GLU A 42 8.582 -20.878 -2.723 1.00 0.00 O ATOM 697 CB GLU A 42 10.374 -18.083 -2.345 1.00 0.00 C ATOM 698 CG GLU A 42 10.887 -19.034 -1.281 1.00 0.00 C ATOM 699 CD GLU A 42 11.823 -18.372 -0.308 1.00 0.00 C ATOM 700 OE1 GLU A 42 11.427 -17.369 0.318 1.00 0.00 O ATOM 701 OE2 GLU A 42 12.967 -18.842 -0.172 1.00 0.00 O ATOM 0 H GLU A 42 9.037 -16.814 -3.995 1.00 0.00 H new ATOM 0 HA GLU A 42 10.215 -19.403 -4.021 1.00 0.00 H new ATOM 0 HB2 GLU A 42 11.222 -17.577 -2.807 1.00 0.00 H new ATOM 0 HB3 GLU A 42 9.764 -17.315 -1.870 1.00 0.00 H new ATOM 0 HG2 GLU A 42 10.041 -19.453 -0.736 1.00 0.00 H new ATOM 0 HG3 GLU A 42 11.400 -19.867 -1.762 1.00 0.00 H new ATOM 708 N LEU A 43 7.389 -18.996 -2.365 1.00 0.00 N ATOM 709 CA LEU A 43 6.244 -19.672 -1.765 1.00 0.00 C ATOM 710 C LEU A 43 5.621 -20.687 -2.736 1.00 0.00 C ATOM 711 O LEU A 43 5.239 -21.778 -2.330 1.00 0.00 O ATOM 712 CB LEU A 43 5.200 -18.644 -1.263 1.00 0.00 C ATOM 713 CG LEU A 43 3.979 -19.191 -0.489 1.00 0.00 C ATOM 714 CD1 LEU A 43 2.853 -19.570 -1.434 1.00 0.00 C ATOM 715 CD2 LEU A 43 4.367 -20.380 0.379 1.00 0.00 C ATOM 0 H LEU A 43 7.294 -17.981 -2.410 1.00 0.00 H new ATOM 0 HA LEU A 43 6.598 -20.233 -0.900 1.00 0.00 H new ATOM 0 HB2 LEU A 43 5.713 -17.929 -0.620 1.00 0.00 H new ATOM 0 HB3 LEU A 43 4.831 -18.090 -2.126 1.00 0.00 H new ATOM 0 HG LEU A 43 3.622 -18.394 0.163 1.00 0.00 H new ATOM 0 HD11 LEU A 43 2.009 -19.951 -0.860 1.00 0.00 H new ATOM 0 HD12 LEU A 43 2.541 -18.692 -1.999 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.200 -20.340 -2.123 1.00 0.00 H new ATOM 0 HD21 LEU A 43 3.488 -20.744 0.912 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.765 -21.176 -0.251 1.00 0.00 H new ATOM 0 HD23 LEU A 43 5.126 -20.073 1.098 1.00 0.00 H new ATOM 727 N ASN A 44 5.541 -20.327 -4.017 1.00 0.00 N ATOM 728 CA ASN A 44 4.980 -21.219 -5.049 1.00 0.00 C ATOM 729 C ASN A 44 5.739 -22.539 -5.083 1.00 0.00 C ATOM 730 O ASN A 44 5.165 -23.591 -5.333 1.00 0.00 O ATOM 731 CB ASN A 44 5.050 -20.556 -6.437 1.00 0.00 C ATOM 732 CG ASN A 44 4.264 -19.265 -6.535 1.00 0.00 C ATOM 733 OD1 ASN A 44 3.266 -19.076 -5.854 1.00 0.00 O ATOM 734 ND2 ASN A 44 4.706 -18.377 -7.401 1.00 0.00 N ATOM 0 H ASN A 44 5.856 -19.424 -4.372 1.00 0.00 H new ATOM 0 HA ASN A 44 3.937 -21.409 -4.796 1.00 0.00 H new ATOM 0 HB2 ASN A 44 6.093 -20.356 -6.682 1.00 0.00 H new ATOM 0 HB3 ASN A 44 4.676 -21.256 -7.184 1.00 0.00 H new ATOM 0 HD21 ASN A 44 4.212 -17.493 -7.523 1.00 0.00 H new ATOM 0 HD22 ASN A 44 5.543 -18.573 -7.950 1.00 0.00 H new ATOM 741 N GLU A 45 7.023 -22.463 -4.818 1.00 0.00 N ATOM 742 CA GLU A 45 7.878 -23.637 -4.823 1.00 0.00 C ATOM 743 C GLU A 45 7.805 -24.403 -3.494 1.00 0.00 C ATOM 744 O GLU A 45 7.707 -25.629 -3.478 1.00 0.00 O ATOM 745 CB GLU A 45 9.321 -23.229 -5.123 1.00 0.00 C ATOM 746 CG GLU A 45 10.281 -24.400 -5.230 1.00 0.00 C ATOM 747 CD GLU A 45 9.838 -25.416 -6.258 1.00 0.00 C ATOM 748 OE1 GLU A 45 9.817 -25.079 -7.460 1.00 0.00 O ATOM 749 OE2 GLU A 45 9.514 -26.553 -5.874 1.00 0.00 O ATOM 0 H GLU A 45 7.506 -21.593 -4.594 1.00 0.00 H new ATOM 0 HA GLU A 45 7.521 -24.307 -5.605 1.00 0.00 H new ATOM 0 HB2 GLU A 45 9.343 -22.667 -6.057 1.00 0.00 H new ATOM 0 HB3 GLU A 45 9.669 -22.557 -4.339 1.00 0.00 H new ATOM 0 HG2 GLU A 45 11.273 -24.031 -5.492 1.00 0.00 H new ATOM 0 HG3 GLU A 45 10.368 -24.885 -4.258 1.00 0.00 H new ATOM 756 N ASN A 46 7.819 -23.679 -2.391 1.00 0.00 N ATOM 757 CA ASN A 46 7.836 -24.301 -1.057 1.00 0.00 C ATOM 758 C ASN A 46 6.463 -24.840 -0.659 1.00 0.00 C ATOM 759 O ASN A 46 6.359 -25.877 -0.001 1.00 0.00 O ATOM 760 CB ASN A 46 8.321 -23.293 -0.011 1.00 0.00 C ATOM 761 CG ASN A 46 9.831 -23.153 0.025 1.00 0.00 C ATOM 762 OD1 ASN A 46 10.505 -23.838 0.790 1.00 0.00 O ATOM 763 ND2 ASN A 46 10.369 -22.271 -0.796 1.00 0.00 N ATOM 0 H ASN A 46 7.819 -22.659 -2.380 1.00 0.00 H new ATOM 0 HA ASN A 46 8.524 -25.145 -1.100 1.00 0.00 H new ATOM 0 HB2 ASN A 46 7.877 -22.320 -0.220 1.00 0.00 H new ATOM 0 HB3 ASN A 46 7.967 -23.601 0.973 1.00 0.00 H new ATOM 0 HD21 ASN A 46 11.380 -22.139 -0.811 1.00 0.00 H new ATOM 0 HD22 ASN A 46 9.774 -21.722 -1.416 1.00 0.00 H new ATOM 770 N LYS A 47 5.423 -24.113 -1.068 1.00 0.00 N ATOM 771 CA LYS A 47 4.025 -24.429 -0.697 1.00 0.00 C ATOM 772 C LYS A 47 3.886 -24.391 0.843 1.00 0.00 C ATOM 773 O LYS A 47 2.988 -25.005 1.421 1.00 0.00 O ATOM 774 CB LYS A 47 3.630 -25.831 -1.208 1.00 0.00 C ATOM 775 CG LYS A 47 3.756 -26.026 -2.718 1.00 0.00 C ATOM 776 CD LYS A 47 2.784 -25.148 -3.504 1.00 0.00 C ATOM 777 CE LYS A 47 2.867 -25.449 -4.994 1.00 0.00 C ATOM 778 NZ LYS A 47 2.144 -24.443 -5.814 1.00 0.00 N ATOM 0 H LYS A 47 5.515 -23.290 -1.664 1.00 0.00 H new ATOM 0 HA LYS A 47 3.366 -23.691 -1.153 1.00 0.00 H new ATOM 0 HB2 LYS A 47 4.253 -26.573 -0.708 1.00 0.00 H new ATOM 0 HB3 LYS A 47 2.599 -26.031 -0.916 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.776 -25.799 -3.027 1.00 0.00 H new ATOM 0 HG3 LYS A 47 3.574 -27.073 -2.962 1.00 0.00 H new ATOM 0 HD2 LYS A 47 1.767 -25.317 -3.150 1.00 0.00 H new ATOM 0 HD3 LYS A 47 3.012 -24.097 -3.328 1.00 0.00 H new ATOM 0 HE2 LYS A 47 3.913 -25.479 -5.299 1.00 0.00 H new ATOM 0 HE3 LYS A 47 2.451 -26.438 -5.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 2.038 -24.798 -6.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 1.204 -24.272 -5.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 2.683 -23.554 -5.828 1.00 0.00 H new ATOM 792 N SER A 48 4.799 -23.668 1.485 1.00 0.00 N ATOM 793 CA SER A 48 4.848 -23.577 2.937 1.00 0.00 C ATOM 794 C SER A 48 3.669 -22.799 3.504 1.00 0.00 C ATOM 795 O SER A 48 3.480 -21.622 3.197 1.00 0.00 O ATOM 796 CB SER A 48 6.164 -22.950 3.379 1.00 0.00 C ATOM 797 OG SER A 48 7.268 -23.729 2.941 1.00 0.00 O ATOM 0 H SER A 48 5.525 -23.130 1.012 1.00 0.00 H new ATOM 0 HA SER A 48 4.782 -24.591 3.332 1.00 0.00 H new ATOM 0 HB2 SER A 48 6.244 -21.940 2.977 1.00 0.00 H new ATOM 0 HB3 SER A 48 6.183 -22.863 4.465 1.00 0.00 H new ATOM 0 HG SER A 48 8.103 -23.307 3.234 1.00 0.00 H new ATOM 803 N LYS A 49 2.889 -23.459 4.345 1.00 0.00 N ATOM 804 CA LYS A 49 1.738 -22.827 4.974 1.00 0.00 C ATOM 805 C LYS A 49 2.166 -21.657 5.861 1.00 0.00 C ATOM 806 O LYS A 49 1.552 -20.602 5.834 1.00 0.00 O ATOM 807 CB LYS A 49 0.892 -23.846 5.771 1.00 0.00 C ATOM 808 CG LYS A 49 1.579 -24.456 6.987 1.00 0.00 C ATOM 809 CD LYS A 49 2.641 -25.473 6.599 1.00 0.00 C ATOM 810 CE LYS A 49 3.091 -26.284 7.801 1.00 0.00 C ATOM 811 NZ LYS A 49 1.955 -27.004 8.439 1.00 0.00 N ATOM 0 H LYS A 49 3.031 -24.434 4.609 1.00 0.00 H new ATOM 0 HA LYS A 49 1.109 -22.432 4.176 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -0.023 -23.354 6.100 1.00 0.00 H new ATOM 0 HB3 LYS A 49 0.597 -24.652 5.099 1.00 0.00 H new ATOM 0 HG2 LYS A 49 2.037 -23.663 7.579 1.00 0.00 H new ATOM 0 HG3 LYS A 49 0.833 -24.936 7.620 1.00 0.00 H new ATOM 0 HD2 LYS A 49 2.246 -26.141 5.834 1.00 0.00 H new ATOM 0 HD3 LYS A 49 3.498 -24.959 6.162 1.00 0.00 H new ATOM 0 HE2 LYS A 49 3.849 -27.003 7.491 1.00 0.00 H new ATOM 0 HE3 LYS A 49 3.558 -25.623 8.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 2.309 -27.856 8.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 1.496 -26.381 9.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 1.265 -27.279 7.711 1.00 0.00 H new ATOM 825 N GLU A 50 3.245 -21.844 6.624 1.00 0.00 N ATOM 826 CA GLU A 50 3.757 -20.792 7.498 1.00 0.00 C ATOM 827 C GLU A 50 4.172 -19.575 6.699 1.00 0.00 C ATOM 828 O GLU A 50 3.826 -18.446 7.058 1.00 0.00 O ATOM 829 CB GLU A 50 4.936 -21.299 8.324 1.00 0.00 C ATOM 830 CG GLU A 50 4.530 -22.113 9.535 1.00 0.00 C ATOM 831 CD GLU A 50 3.956 -21.243 10.628 1.00 0.00 C ATOM 832 OE1 GLU A 50 2.753 -20.927 10.579 1.00 0.00 O ATOM 833 OE2 GLU A 50 4.717 -20.849 11.534 1.00 0.00 O ATOM 0 H GLU A 50 3.779 -22.713 6.653 1.00 0.00 H new ATOM 0 HA GLU A 50 2.952 -20.505 8.175 1.00 0.00 H new ATOM 0 HB2 GLU A 50 5.578 -21.908 7.688 1.00 0.00 H new ATOM 0 HB3 GLU A 50 5.530 -20.446 8.654 1.00 0.00 H new ATOM 0 HG2 GLU A 50 3.793 -22.860 9.240 1.00 0.00 H new ATOM 0 HG3 GLU A 50 5.396 -22.653 9.917 1.00 0.00 H new ATOM 840 N LEU A 51 4.896 -19.799 5.619 1.00 0.00 N ATOM 841 CA LEU A 51 5.323 -18.707 4.766 1.00 0.00 C ATOM 842 C LEU A 51 4.105 -18.002 4.181 1.00 0.00 C ATOM 843 O LEU A 51 4.053 -16.780 4.142 1.00 0.00 O ATOM 844 CB LEU A 51 6.244 -19.220 3.652 1.00 0.00 C ATOM 845 CG LEU A 51 6.842 -18.152 2.727 1.00 0.00 C ATOM 846 CD1 LEU A 51 7.640 -17.129 3.526 1.00 0.00 C ATOM 847 CD2 LEU A 51 7.720 -18.799 1.667 1.00 0.00 C ATOM 0 H LEU A 51 5.200 -20.723 5.313 1.00 0.00 H new ATOM 0 HA LEU A 51 5.888 -17.991 5.364 1.00 0.00 H new ATOM 0 HB2 LEU A 51 7.063 -19.774 4.111 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.683 -19.928 3.042 1.00 0.00 H new ATOM 0 HG LEU A 51 6.022 -17.633 2.231 1.00 0.00 H new ATOM 0 HD11 LEU A 51 8.054 -16.382 2.849 1.00 0.00 H new ATOM 0 HD12 LEU A 51 6.986 -16.641 4.249 1.00 0.00 H new ATOM 0 HD13 LEU A 51 8.451 -17.631 4.053 1.00 0.00 H new ATOM 0 HD21 LEU A 51 8.136 -18.028 1.019 1.00 0.00 H new ATOM 0 HD22 LEU A 51 8.531 -19.344 2.150 1.00 0.00 H new ATOM 0 HD23 LEU A 51 7.123 -19.489 1.072 1.00 0.00 H new ATOM 859 N GLN A 52 3.112 -18.784 3.769 1.00 0.00 N ATOM 860 CA GLN A 52 1.879 -18.222 3.222 1.00 0.00 C ATOM 861 C GLN A 52 1.178 -17.333 4.246 1.00 0.00 C ATOM 862 O GLN A 52 0.790 -16.207 3.936 1.00 0.00 O ATOM 863 CB GLN A 52 0.931 -19.333 2.734 1.00 0.00 C ATOM 864 CG GLN A 52 -0.531 -18.889 2.638 1.00 0.00 C ATOM 865 CD GLN A 52 -1.423 -19.854 1.877 1.00 0.00 C ATOM 866 OE1 GLN A 52 -2.591 -20.027 2.213 1.00 0.00 O ATOM 867 NE2 GLN A 52 -0.901 -20.448 0.826 1.00 0.00 N ATOM 0 H GLN A 52 3.135 -19.803 3.803 1.00 0.00 H new ATOM 0 HA GLN A 52 2.151 -17.606 2.365 1.00 0.00 H new ATOM 0 HB2 GLN A 52 1.263 -19.679 1.755 1.00 0.00 H new ATOM 0 HB3 GLN A 52 1.001 -20.183 3.413 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -0.928 -18.762 3.645 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -0.572 -17.914 2.153 1.00 0.00 H new ATOM 0 HE21 GLN A 52 0.074 -20.280 0.577 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -1.471 -21.076 0.260 1.00 0.00 H new ATOM 876 N GLU A 53 1.051 -17.830 5.468 1.00 0.00 N ATOM 877 CA GLU A 53 0.382 -17.097 6.528 1.00 0.00 C ATOM 878 C GLU A 53 1.094 -15.783 6.816 1.00 0.00 C ATOM 879 O GLU A 53 0.463 -14.739 6.914 1.00 0.00 O ATOM 880 CB GLU A 53 0.295 -17.954 7.790 1.00 0.00 C ATOM 881 CG GLU A 53 -0.547 -19.212 7.623 1.00 0.00 C ATOM 882 CD GLU A 53 -2.008 -18.908 7.374 1.00 0.00 C ATOM 883 OE1 GLU A 53 -2.359 -18.526 6.243 1.00 0.00 O ATOM 884 OE2 GLU A 53 -2.814 -19.043 8.315 1.00 0.00 O ATOM 0 H GLU A 53 1.406 -18.744 5.749 1.00 0.00 H new ATOM 0 HA GLU A 53 -0.630 -16.862 6.197 1.00 0.00 H new ATOM 0 HB2 GLU A 53 1.302 -18.240 8.094 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -0.123 -17.353 8.598 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -0.155 -19.799 6.792 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -0.456 -19.827 8.518 1.00 0.00 H new ATOM 891 N LYS A 54 2.417 -15.836 6.923 1.00 0.00 N ATOM 892 CA LYS A 54 3.213 -14.635 7.183 1.00 0.00 C ATOM 893 C LYS A 54 3.062 -13.644 6.029 1.00 0.00 C ATOM 894 O LYS A 54 2.868 -12.451 6.249 1.00 0.00 O ATOM 895 CB LYS A 54 4.691 -14.999 7.376 1.00 0.00 C ATOM 896 CG LYS A 54 4.979 -15.968 8.531 1.00 0.00 C ATOM 897 CD LYS A 54 4.663 -15.365 9.901 1.00 0.00 C ATOM 898 CE LYS A 54 3.229 -15.646 10.345 1.00 0.00 C ATOM 899 NZ LYS A 54 2.980 -17.096 10.567 1.00 0.00 N ATOM 0 H LYS A 54 2.963 -16.693 6.835 1.00 0.00 H new ATOM 0 HA LYS A 54 2.849 -14.170 8.099 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.064 -15.440 6.451 1.00 0.00 H new ATOM 0 HB3 LYS A 54 5.256 -14.082 7.543 1.00 0.00 H new ATOM 0 HG2 LYS A 54 4.391 -16.875 8.394 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.028 -16.261 8.501 1.00 0.00 H new ATOM 0 HD2 LYS A 54 5.355 -15.768 10.641 1.00 0.00 H new ATOM 0 HD3 LYS A 54 4.825 -14.288 9.867 1.00 0.00 H new ATOM 0 HE2 LYS A 54 3.022 -15.099 11.265 1.00 0.00 H new ATOM 0 HE3 LYS A 54 2.537 -15.272 9.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 2.163 -17.215 11.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 2.783 -17.558 9.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 3.820 -17.530 11.000 1.00 0.00 H new ATOM 913 N ILE A 55 3.124 -14.160 4.814 1.00 0.00 N ATOM 914 CA ILE A 55 2.990 -13.327 3.622 1.00 0.00 C ATOM 915 C ILE A 55 1.621 -12.639 3.588 1.00 0.00 C ATOM 916 O ILE A 55 1.536 -11.426 3.418 1.00 0.00 O ATOM 917 CB ILE A 55 3.217 -14.129 2.310 1.00 0.00 C ATOM 918 CG1 ILE A 55 4.687 -14.555 2.193 1.00 0.00 C ATOM 919 CG2 ILE A 55 2.802 -13.307 1.097 1.00 0.00 C ATOM 920 CD1 ILE A 55 4.990 -15.379 0.956 1.00 0.00 C ATOM 0 H ILE A 55 3.266 -15.152 4.622 1.00 0.00 H new ATOM 0 HA ILE A 55 3.770 -12.568 3.682 1.00 0.00 H new ATOM 0 HB ILE A 55 2.597 -15.025 2.343 1.00 0.00 H new ATOM 0 HG12 ILE A 55 5.314 -13.664 2.187 1.00 0.00 H new ATOM 0 HG13 ILE A 55 4.960 -15.131 3.077 1.00 0.00 H new ATOM 0 HG21 ILE A 55 2.969 -13.887 0.190 1.00 0.00 H new ATOM 0 HG22 ILE A 55 1.745 -13.052 1.175 1.00 0.00 H new ATOM 0 HG23 ILE A 55 3.394 -12.393 1.057 1.00 0.00 H new ATOM 0 HD11 ILE A 55 6.048 -15.642 0.944 1.00 0.00 H new ATOM 0 HD12 ILE A 55 4.390 -16.289 0.969 1.00 0.00 H new ATOM 0 HD13 ILE A 55 4.750 -14.799 0.065 1.00 0.00 H new ATOM 932 N ILE A 56 0.560 -13.415 3.776 1.00 0.00 N ATOM 933 CA ILE A 56 -0.799 -12.871 3.778 1.00 0.00 C ATOM 934 C ILE A 56 -0.981 -11.861 4.909 1.00 0.00 C ATOM 935 O ILE A 56 -1.611 -10.822 4.727 1.00 0.00 O ATOM 936 CB ILE A 56 -1.867 -13.991 3.920 1.00 0.00 C ATOM 937 CG1 ILE A 56 -1.796 -14.952 2.734 1.00 0.00 C ATOM 938 CG2 ILE A 56 -3.269 -13.392 4.036 1.00 0.00 C ATOM 939 CD1 ILE A 56 -2.759 -16.116 2.834 1.00 0.00 C ATOM 0 H ILE A 56 0.611 -14.422 3.929 1.00 0.00 H new ATOM 0 HA ILE A 56 -0.940 -12.373 2.819 1.00 0.00 H new ATOM 0 HB ILE A 56 -1.656 -14.548 4.833 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -2.002 -14.399 1.817 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -0.780 -15.339 2.652 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -4.000 -14.194 4.134 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -3.318 -12.747 4.913 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -3.490 -12.807 3.143 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -2.651 -16.754 1.957 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.540 -16.693 3.732 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -3.781 -15.740 2.885 1.00 0.00 H new ATOM 951 N ARG A 57 -0.401 -12.156 6.061 1.00 0.00 N ATOM 952 CA ARG A 57 -0.535 -11.286 7.221 1.00 0.00 C ATOM 953 C ARG A 57 0.167 -9.960 7.008 1.00 0.00 C ATOM 954 O ARG A 57 -0.428 -8.910 7.233 1.00 0.00 O ATOM 955 CB ARG A 57 -0.033 -11.979 8.490 1.00 0.00 C ATOM 956 CG ARG A 57 -1.116 -12.738 9.254 1.00 0.00 C ATOM 957 CD ARG A 57 -1.907 -13.659 8.342 1.00 0.00 C ATOM 958 NE ARG A 57 -2.851 -14.487 9.077 1.00 0.00 N ATOM 959 CZ ARG A 57 -3.384 -15.608 8.601 1.00 0.00 C ATOM 960 NH1 ARG A 57 -3.101 -16.007 7.366 1.00 0.00 N ATOM 961 NH2 ARG A 57 -4.207 -16.320 9.356 1.00 0.00 N ATOM 0 H ARG A 57 0.166 -12.989 6.219 1.00 0.00 H new ATOM 0 HA ARG A 57 -1.597 -11.075 7.351 1.00 0.00 H new ATOM 0 HB2 ARG A 57 0.762 -12.674 8.221 1.00 0.00 H new ATOM 0 HB3 ARG A 57 0.407 -11.231 9.150 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -0.657 -13.322 10.051 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -1.792 -12.027 9.729 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -2.447 -13.062 7.606 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -1.219 -14.299 7.790 1.00 0.00 H new ATOM 0 HE ARG A 57 -3.120 -14.189 10.015 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -2.474 -15.453 6.782 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -3.510 -16.867 7.002 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -4.431 -16.008 10.301 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -4.617 -17.180 8.992 1.00 0.00 H new ATOM 975 N GLU A 58 1.412 -9.988 6.548 1.00 0.00 N ATOM 976 CA GLU A 58 2.124 -8.743 6.314 1.00 0.00 C ATOM 977 C GLU A 58 1.525 -7.995 5.127 1.00 0.00 C ATOM 978 O GLU A 58 1.512 -6.770 5.103 1.00 0.00 O ATOM 979 CB GLU A 58 3.630 -8.955 6.131 1.00 0.00 C ATOM 980 CG GLU A 58 4.000 -9.828 4.957 1.00 0.00 C ATOM 981 CD GLU A 58 5.494 -9.881 4.734 1.00 0.00 C ATOM 982 OE1 GLU A 58 6.187 -10.634 5.452 1.00 0.00 O ATOM 983 OE2 GLU A 58 5.991 -9.156 3.844 1.00 0.00 O ATOM 0 H GLU A 58 1.936 -10.837 6.335 1.00 0.00 H new ATOM 0 HA GLU A 58 2.002 -8.131 7.207 1.00 0.00 H new ATOM 0 HB2 GLU A 58 4.109 -7.983 6.011 1.00 0.00 H new ATOM 0 HB3 GLU A 58 4.035 -9.399 7.040 1.00 0.00 H new ATOM 0 HG2 GLU A 58 3.623 -10.837 5.124 1.00 0.00 H new ATOM 0 HG3 GLU A 58 3.513 -9.450 4.058 1.00 0.00 H new ATOM 990 N LEU A 59 1.011 -8.738 4.150 1.00 0.00 N ATOM 991 CA LEU A 59 0.353 -8.140 3.001 1.00 0.00 C ATOM 992 C LEU A 59 -0.862 -7.359 3.485 1.00 0.00 C ATOM 993 O LEU A 59 -1.076 -6.211 3.101 1.00 0.00 O ATOM 994 CB LEU A 59 -0.065 -9.247 2.002 1.00 0.00 C ATOM 995 CG LEU A 59 -0.518 -8.804 0.594 1.00 0.00 C ATOM 996 CD1 LEU A 59 -0.466 -9.983 -0.363 1.00 0.00 C ATOM 997 CD2 LEU A 59 -1.931 -8.229 0.619 1.00 0.00 C ATOM 0 H LEU A 59 1.040 -9.757 4.135 1.00 0.00 H new ATOM 0 HA LEU A 59 1.033 -7.461 2.488 1.00 0.00 H new ATOM 0 HB2 LEU A 59 0.777 -9.930 1.885 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -0.877 -9.817 2.453 1.00 0.00 H new ATOM 0 HG LEU A 59 0.163 -8.024 0.254 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -0.787 -9.662 -1.354 1.00 0.00 H new ATOM 0 HD12 LEU A 59 0.554 -10.363 -0.418 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -1.128 -10.772 -0.005 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -2.219 -7.927 -0.388 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -2.625 -8.986 0.983 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -1.960 -7.363 1.280 1.00 0.00 H new ATOM 1009 N ASP A 60 -1.636 -7.998 4.353 1.00 0.00 N ATOM 1010 CA ASP A 60 -2.848 -7.407 4.900 1.00 0.00 C ATOM 1011 C ASP A 60 -2.548 -6.161 5.736 1.00 0.00 C ATOM 1012 O ASP A 60 -3.230 -5.149 5.603 1.00 0.00 O ATOM 1013 CB ASP A 60 -3.618 -8.437 5.731 1.00 0.00 C ATOM 1014 CG ASP A 60 -4.980 -7.940 6.163 1.00 0.00 C ATOM 1015 OD1 ASP A 60 -5.917 -7.945 5.329 1.00 0.00 O ATOM 1016 OD2 ASP A 60 -5.132 -7.549 7.341 1.00 0.00 O ATOM 0 H ASP A 60 -1.441 -8.938 4.696 1.00 0.00 H new ATOM 0 HA ASP A 60 -3.468 -7.095 4.059 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -3.737 -9.351 5.149 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -3.033 -8.695 6.614 1.00 0.00 H new ATOM 1021 N VAL A 61 -1.513 -6.228 6.585 1.00 0.00 N ATOM 1022 CA VAL A 61 -1.163 -5.075 7.424 1.00 0.00 C ATOM 1023 C VAL A 61 -0.727 -3.886 6.561 1.00 0.00 C ATOM 1024 O VAL A 61 -1.058 -2.735 6.856 1.00 0.00 O ATOM 1025 CB VAL A 61 -0.069 -5.400 8.499 1.00 0.00 C ATOM 1026 CG1 VAL A 61 -0.420 -6.659 9.271 1.00 0.00 C ATOM 1027 CG2 VAL A 61 1.319 -5.517 7.885 1.00 0.00 C ATOM 0 H VAL A 61 -0.917 -7.047 6.708 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.069 -4.811 7.970 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.048 -4.562 9.195 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.356 -6.861 10.010 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -1.376 -6.521 9.777 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -0.492 -7.500 8.582 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.045 -5.743 8.666 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.323 -6.317 7.144 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.585 -4.576 7.404 1.00 0.00 H new ATOM 1037 N VAL A 62 -0.006 -4.175 5.477 1.00 0.00 N ATOM 1038 CA VAL A 62 0.424 -3.144 4.546 1.00 0.00 C ATOM 1039 C VAL A 62 -0.778 -2.615 3.783 1.00 0.00 C ATOM 1040 O VAL A 62 -0.906 -1.413 3.566 1.00 0.00 O ATOM 1041 CB VAL A 62 1.491 -3.676 3.551 1.00 0.00 C ATOM 1042 CG1 VAL A 62 1.807 -2.638 2.482 1.00 0.00 C ATOM 1043 CG2 VAL A 62 2.761 -4.064 4.291 1.00 0.00 C ATOM 0 H VAL A 62 0.290 -5.118 5.226 1.00 0.00 H new ATOM 0 HA VAL A 62 0.882 -2.339 5.121 1.00 0.00 H new ATOM 0 HB VAL A 62 1.082 -4.560 3.062 1.00 0.00 H new ATOM 0 HG11 VAL A 62 2.557 -3.036 1.799 1.00 0.00 H new ATOM 0 HG12 VAL A 62 0.900 -2.400 1.927 1.00 0.00 H new ATOM 0 HG13 VAL A 62 2.191 -1.734 2.955 1.00 0.00 H new ATOM 0 HG21 VAL A 62 3.498 -4.435 3.579 1.00 0.00 H new ATOM 0 HG22 VAL A 62 3.162 -3.192 4.808 1.00 0.00 H new ATOM 0 HG23 VAL A 62 2.535 -4.844 5.018 1.00 0.00 H new ATOM 1053 N CYS A 63 -1.678 -3.509 3.421 1.00 0.00 N ATOM 1054 CA CYS A 63 -2.883 -3.123 2.713 1.00 0.00 C ATOM 1055 C CYS A 63 -3.723 -2.198 3.586 1.00 0.00 C ATOM 1056 O CYS A 63 -4.244 -1.196 3.117 1.00 0.00 O ATOM 1057 CB CYS A 63 -3.698 -4.355 2.300 1.00 0.00 C ATOM 1058 SG CYS A 63 -5.174 -3.978 1.324 1.00 0.00 S ATOM 0 H CYS A 63 -1.597 -4.509 3.606 1.00 0.00 H new ATOM 0 HA CYS A 63 -2.595 -2.593 1.805 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -3.058 -5.024 1.725 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -3.998 -4.895 3.198 1.00 0.00 H new ATOM 0 HG CYS A 63 -5.790 -5.083 1.025 1.00 0.00 H new ATOM 1064 N ALA A 64 -3.812 -2.527 4.870 1.00 0.00 N ATOM 1065 CA ALA A 64 -4.595 -1.754 5.822 1.00 0.00 C ATOM 1066 C ALA A 64 -3.998 -0.369 6.037 1.00 0.00 C ATOM 1067 O ALA A 64 -4.714 0.635 5.987 1.00 0.00 O ATOM 1068 CB ALA A 64 -4.669 -2.497 7.144 1.00 0.00 C ATOM 0 H ALA A 64 -3.344 -3.336 5.278 1.00 0.00 H new ATOM 0 HA ALA A 64 -5.598 -1.627 5.415 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -5.256 -1.916 7.855 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -5.142 -3.467 6.990 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -3.663 -2.642 7.537 1.00 0.00 H new ATOM 1074 N MET A 65 -2.692 -0.306 6.270 1.00 0.00 N ATOM 1075 CA MET A 65 -2.039 0.982 6.500 1.00 0.00 C ATOM 1076 C MET A 65 -2.095 1.849 5.237 1.00 0.00 C ATOM 1077 O MET A 65 -2.266 3.067 5.315 1.00 0.00 O ATOM 1078 CB MET A 65 -0.586 0.798 6.979 1.00 0.00 C ATOM 1079 CG MET A 65 0.374 0.326 5.905 1.00 0.00 C ATOM 1080 SD MET A 65 2.052 0.069 6.513 1.00 0.00 S ATOM 1081 CE MET A 65 1.807 -1.343 7.582 1.00 0.00 C ATOM 0 H MET A 65 -2.072 -1.115 6.305 1.00 0.00 H new ATOM 0 HA MET A 65 -2.583 1.496 7.293 1.00 0.00 H new ATOM 0 HB2 MET A 65 -0.226 1.746 7.380 1.00 0.00 H new ATOM 0 HB3 MET A 65 -0.575 0.080 7.799 1.00 0.00 H new ATOM 0 HG2 MET A 65 0.002 -0.606 5.479 1.00 0.00 H new ATOM 0 HG3 MET A 65 0.395 1.059 5.098 1.00 0.00 H new ATOM 0 HE1 MET A 65 2.359 -1.197 8.510 1.00 0.00 H new ATOM 0 HE2 MET A 65 0.745 -1.451 7.804 1.00 0.00 H new ATOM 0 HE3 MET A 65 2.167 -2.243 7.084 1.00 0.00 H new ATOM 1091 N ILE A 66 -1.973 1.209 4.076 1.00 0.00 N ATOM 1092 CA ILE A 66 -2.057 1.910 2.803 1.00 0.00 C ATOM 1093 C ILE A 66 -3.480 2.432 2.571 1.00 0.00 C ATOM 1094 O ILE A 66 -3.663 3.583 2.170 1.00 0.00 O ATOM 1095 CB ILE A 66 -1.582 1.008 1.611 1.00 0.00 C ATOM 1096 CG1 ILE A 66 -0.086 1.232 1.311 1.00 0.00 C ATOM 1097 CG2 ILE A 66 -2.411 1.247 0.353 1.00 0.00 C ATOM 1098 CD1 ILE A 66 0.839 0.993 2.488 1.00 0.00 C ATOM 0 H ILE A 66 -1.815 0.205 3.994 1.00 0.00 H new ATOM 0 HA ILE A 66 -1.381 2.764 2.847 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.728 -0.028 1.917 1.00 0.00 H new ATOM 0 HG12 ILE A 66 0.209 0.573 0.495 1.00 0.00 H new ATOM 0 HG13 ILE A 66 0.051 2.255 0.961 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -2.050 0.603 -0.449 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -3.457 1.019 0.558 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -2.319 2.290 0.050 1.00 0.00 H new ATOM 0 HD11 ILE A 66 1.870 1.174 2.183 1.00 0.00 H new ATOM 0 HD12 ILE A 66 0.576 1.670 3.301 1.00 0.00 H new ATOM 0 HD13 ILE A 66 0.737 -0.038 2.827 1.00 0.00 H new ATOM 1110 N GLU A 67 -4.481 1.599 2.872 1.00 0.00 N ATOM 1111 CA GLU A 67 -5.883 1.983 2.724 1.00 0.00 C ATOM 1112 C GLU A 67 -6.206 3.170 3.612 1.00 0.00 C ATOM 1113 O GLU A 67 -6.929 4.088 3.212 1.00 0.00 O ATOM 1114 CB GLU A 67 -6.798 0.818 3.099 1.00 0.00 C ATOM 1115 CG GLU A 67 -6.957 -0.242 2.022 1.00 0.00 C ATOM 1116 CD GLU A 67 -7.773 0.243 0.851 1.00 0.00 C ATOM 1117 OE1 GLU A 67 -8.750 0.994 1.070 1.00 0.00 O ATOM 1118 OE2 GLU A 67 -7.464 -0.140 -0.290 1.00 0.00 O ATOM 0 H GLU A 67 -4.342 0.651 3.221 1.00 0.00 H new ATOM 0 HA GLU A 67 -6.048 2.255 1.681 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.408 0.344 4.000 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.783 1.214 3.347 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -5.972 -0.550 1.672 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -7.432 -1.124 2.452 1.00 0.00 H new ATOM 1125 N GLY A 68 -5.646 3.149 4.811 1.00 0.00 N ATOM 1126 CA GLY A 68 -5.902 4.186 5.775 1.00 0.00 C ATOM 1127 C GLY A 68 -5.312 5.519 5.382 1.00 0.00 C ATOM 1128 O GLY A 68 -5.991 6.546 5.429 1.00 0.00 O ATOM 0 H GLY A 68 -5.010 2.419 5.133 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -6.979 4.296 5.904 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -5.494 3.885 6.740 1.00 0.00 H new ATOM 1132 N ALA A 69 -4.045 5.507 4.985 1.00 0.00 N ATOM 1133 CA ALA A 69 -3.349 6.730 4.616 1.00 0.00 C ATOM 1134 C ALA A 69 -3.877 7.299 3.309 1.00 0.00 C ATOM 1135 O ALA A 69 -4.107 8.500 3.209 1.00 0.00 O ATOM 1136 CB ALA A 69 -1.851 6.484 4.526 1.00 0.00 C ATOM 0 H ALA A 69 -3.479 4.661 4.911 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.536 7.467 5.397 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -1.346 7.410 4.249 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -1.480 6.143 5.492 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -1.652 5.722 3.772 1.00 0.00 H new ATOM 1142 N GLN A 70 -4.088 6.440 2.312 1.00 0.00 N ATOM 1143 CA GLN A 70 -4.568 6.916 1.016 1.00 0.00 C ATOM 1144 C GLN A 70 -5.964 7.532 1.160 1.00 0.00 C ATOM 1145 O GLN A 70 -6.285 8.519 0.513 1.00 0.00 O ATOM 1146 CB GLN A 70 -4.553 5.818 -0.058 1.00 0.00 C ATOM 1147 CG GLN A 70 -5.704 4.840 0.011 1.00 0.00 C ATOM 1148 CD GLN A 70 -5.810 4.011 -1.241 1.00 0.00 C ATOM 1149 OE1 GLN A 70 -5.276 2.907 -1.323 1.00 0.00 O ATOM 1150 NE2 GLN A 70 -6.475 4.554 -2.239 1.00 0.00 N ATOM 0 H GLN A 70 -3.938 5.433 2.373 1.00 0.00 H new ATOM 0 HA GLN A 70 -3.877 7.687 0.676 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -4.557 6.291 -1.040 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -3.619 5.263 0.025 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -5.572 4.184 0.871 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -6.635 5.385 0.166 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -6.903 5.473 -2.127 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -6.563 4.055 -3.125 1.00 0.00 H new ATOM 1159 N GLY A 71 -6.769 6.933 2.036 1.00 0.00 N ATOM 1160 CA GLY A 71 -8.114 7.427 2.288 1.00 0.00 C ATOM 1161 C GLY A 71 -8.105 8.762 3.013 1.00 0.00 C ATOM 1162 O GLY A 71 -8.831 9.698 2.645 1.00 0.00 O ATOM 0 H GLY A 71 -6.511 6.109 2.579 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -8.644 7.532 1.342 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -8.663 6.696 2.882 1.00 0.00 H new ATOM 1166 N ALA A 72 -7.245 8.850 4.021 1.00 0.00 N ATOM 1167 CA ALA A 72 -7.130 10.043 4.841 1.00 0.00 C ATOM 1168 C ALA A 72 -6.583 11.192 4.017 1.00 0.00 C ATOM 1169 O ALA A 72 -7.173 12.275 3.958 1.00 0.00 O ATOM 1170 CB ALA A 72 -6.236 9.780 6.043 1.00 0.00 C ATOM 0 H ALA A 72 -6.611 8.097 4.290 1.00 0.00 H new ATOM 0 HA ALA A 72 -8.122 10.313 5.204 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -6.161 10.685 6.646 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -6.662 8.977 6.645 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -5.243 9.489 5.701 1.00 0.00 H new ATOM 1176 N LEU A 73 -5.442 10.942 3.385 1.00 0.00 N ATOM 1177 CA LEU A 73 -4.779 11.919 2.546 1.00 0.00 C ATOM 1178 C LEU A 73 -5.700 12.421 1.444 1.00 0.00 C ATOM 1179 O LEU A 73 -5.766 13.609 1.201 1.00 0.00 O ATOM 1180 CB LEU A 73 -3.517 11.313 1.932 1.00 0.00 C ATOM 1181 CG LEU A 73 -2.717 12.232 1.012 1.00 0.00 C ATOM 1182 CD1 LEU A 73 -2.073 13.364 1.797 1.00 0.00 C ATOM 1183 CD2 LEU A 73 -1.677 11.441 0.240 1.00 0.00 C ATOM 0 H LEU A 73 -4.952 10.049 3.444 1.00 0.00 H new ATOM 0 HA LEU A 73 -4.507 12.768 3.173 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -2.865 10.983 2.741 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -3.801 10.424 1.369 1.00 0.00 H new ATOM 0 HG LEU A 73 -3.405 12.678 0.294 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -1.509 14.003 1.118 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -2.848 13.952 2.290 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -1.400 12.949 2.547 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -1.117 12.113 -0.410 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.993 10.959 0.939 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -2.173 10.681 -0.364 1.00 0.00 H new ATOM 1195 N GLU A 74 -6.410 11.500 0.795 1.00 0.00 N ATOM 1196 CA GLU A 74 -7.323 11.842 -0.303 1.00 0.00 C ATOM 1197 C GLU A 74 -8.345 12.880 0.159 1.00 0.00 C ATOM 1198 O GLU A 74 -8.536 13.915 -0.481 1.00 0.00 O ATOM 1199 CB GLU A 74 -8.014 10.570 -0.796 1.00 0.00 C ATOM 1200 CG GLU A 74 -8.197 10.492 -2.309 1.00 0.00 C ATOM 1201 CD GLU A 74 -9.291 11.408 -2.833 1.00 0.00 C ATOM 1202 OE1 GLU A 74 -10.453 11.264 -2.394 1.00 0.00 O ATOM 1203 OE2 GLU A 74 -9.004 12.247 -3.707 1.00 0.00 O ATOM 0 H GLU A 74 -6.372 10.504 1.010 1.00 0.00 H new ATOM 0 HA GLU A 74 -6.758 12.278 -1.127 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -7.434 9.707 -0.468 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -8.992 10.496 -0.321 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -7.256 10.748 -2.795 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -8.430 9.464 -2.587 1.00 0.00 H new ATOM 1210 N ARG A 75 -8.973 12.601 1.294 1.00 0.00 N ATOM 1211 CA ARG A 75 -9.959 13.503 1.877 1.00 0.00 C ATOM 1212 C ARG A 75 -9.333 14.878 2.117 1.00 0.00 C ATOM 1213 O ARG A 75 -9.925 15.905 1.785 1.00 0.00 O ATOM 1214 CB ARG A 75 -10.463 12.912 3.212 1.00 0.00 C ATOM 1215 CG ARG A 75 -11.771 13.510 3.758 1.00 0.00 C ATOM 1216 CD ARG A 75 -11.631 14.971 4.200 1.00 0.00 C ATOM 1217 NE ARG A 75 -10.512 15.182 5.135 1.00 0.00 N ATOM 1218 CZ ARG A 75 -10.534 14.866 6.436 1.00 0.00 C ATOM 1219 NH1 ARG A 75 -11.604 14.280 6.969 1.00 0.00 N ATOM 1220 NH2 ARG A 75 -9.488 15.148 7.211 1.00 0.00 N ATOM 0 H ARG A 75 -8.815 11.750 1.833 1.00 0.00 H new ATOM 0 HA ARG A 75 -10.798 13.616 1.190 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -10.603 11.839 3.083 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -9.684 13.044 3.963 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -12.542 13.442 2.990 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -12.110 12.912 4.604 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -11.487 15.599 3.321 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -12.559 15.293 4.673 1.00 0.00 H new ATOM 0 HE ARG A 75 -9.658 15.599 4.764 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -12.414 14.069 6.386 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -11.614 14.042 7.961 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -8.668 15.606 6.814 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -9.507 14.906 8.202 1.00 0.00 H new ATOM 1234 N GLU A 76 -8.142 14.887 2.680 1.00 0.00 N ATOM 1235 CA GLU A 76 -7.476 16.129 3.028 1.00 0.00 C ATOM 1236 C GLU A 76 -7.001 16.876 1.784 1.00 0.00 C ATOM 1237 O GLU A 76 -7.332 18.042 1.607 1.00 0.00 O ATOM 1238 CB GLU A 76 -6.304 15.858 3.967 1.00 0.00 C ATOM 1239 CG GLU A 76 -5.992 17.017 4.891 1.00 0.00 C ATOM 1240 CD GLU A 76 -7.182 17.375 5.757 1.00 0.00 C ATOM 1241 OE1 GLU A 76 -7.383 16.719 6.800 1.00 0.00 O ATOM 1242 OE2 GLU A 76 -7.934 18.299 5.390 1.00 0.00 O ATOM 0 H GLU A 76 -7.612 14.046 2.908 1.00 0.00 H new ATOM 0 HA GLU A 76 -8.199 16.763 3.540 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -6.525 14.975 4.566 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -5.419 15.627 3.374 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -5.144 16.759 5.525 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -5.697 17.884 4.301 1.00 0.00 H new ATOM 1249 N LEU A 77 -6.221 16.218 0.927 1.00 0.00 N ATOM 1250 CA LEU A 77 -5.723 16.864 -0.289 1.00 0.00 C ATOM 1251 C LEU A 77 -6.843 17.368 -1.178 1.00 0.00 C ATOM 1252 O LEU A 77 -6.621 18.234 -2.017 1.00 0.00 O ATOM 1253 CB LEU A 77 -4.719 15.962 -1.079 1.00 0.00 C ATOM 1254 CG LEU A 77 -5.185 14.568 -1.554 1.00 0.00 C ATOM 1255 CD1 LEU A 77 -6.238 14.662 -2.651 1.00 0.00 C ATOM 1256 CD2 LEU A 77 -3.991 13.764 -2.051 1.00 0.00 C ATOM 0 H LEU A 77 -5.923 15.250 1.048 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.165 17.739 0.044 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -4.396 16.519 -1.958 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.839 15.820 -0.451 1.00 0.00 H new ATOM 0 HG LEU A 77 -5.640 14.065 -0.701 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -6.537 13.659 -2.955 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -7.107 15.202 -2.276 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -5.824 15.193 -3.508 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.327 12.782 -2.384 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.520 14.288 -2.883 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.270 13.645 -1.242 1.00 0.00 H new ATOM 1268 N LYS A 78 -8.052 16.845 -0.990 1.00 0.00 N ATOM 1269 CA LYS A 78 -9.179 17.285 -1.773 1.00 0.00 C ATOM 1270 C LYS A 78 -9.637 18.682 -1.362 1.00 0.00 C ATOM 1271 O LYS A 78 -10.477 19.288 -2.028 1.00 0.00 O ATOM 1272 CB LYS A 78 -10.330 16.295 -1.695 1.00 0.00 C ATOM 1273 CG LYS A 78 -10.309 15.256 -2.808 1.00 0.00 C ATOM 1274 CD LYS A 78 -10.411 15.909 -4.186 1.00 0.00 C ATOM 1275 CE LYS A 78 -10.250 14.890 -5.299 1.00 0.00 C ATOM 1276 NZ LYS A 78 -10.277 15.523 -6.643 1.00 0.00 N ATOM 0 H LYS A 78 -8.265 16.121 -0.304 1.00 0.00 H new ATOM 0 HA LYS A 78 -8.849 17.335 -2.811 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -10.297 15.786 -0.732 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -11.273 16.841 -1.735 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -9.389 14.675 -2.747 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -11.136 14.559 -2.672 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -11.376 16.406 -4.283 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -9.645 16.678 -4.282 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -9.308 14.357 -5.169 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -11.047 14.150 -5.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -10.164 14.792 -7.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -11.186 16.011 -6.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -9.500 16.211 -6.719 1.00 0.00 H new ATOM 1290 N ARG A 79 -9.101 19.170 -0.238 1.00 0.00 N ATOM 1291 CA ARG A 79 -9.454 20.487 0.292 1.00 0.00 C ATOM 1292 C ARG A 79 -9.189 21.560 -0.757 1.00 0.00 C ATOM 1293 O ARG A 79 -9.919 22.541 -0.863 1.00 0.00 O ATOM 1294 CB ARG A 79 -8.632 20.782 1.552 1.00 0.00 C ATOM 1295 CG ARG A 79 -9.229 21.853 2.448 1.00 0.00 C ATOM 1296 CD ARG A 79 -10.439 21.328 3.210 1.00 0.00 C ATOM 1297 NE ARG A 79 -10.075 20.243 4.135 1.00 0.00 N ATOM 1298 CZ ARG A 79 -10.945 19.576 4.894 1.00 0.00 C ATOM 1299 NH1 ARG A 79 -12.247 19.833 4.817 1.00 0.00 N ATOM 1300 NH2 ARG A 79 -10.509 18.639 5.718 1.00 0.00 N ATOM 0 H ARG A 79 -8.416 18.666 0.325 1.00 0.00 H new ATOM 0 HA ARG A 79 -10.514 20.491 0.547 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -8.525 19.862 2.126 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -7.630 21.090 1.254 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -8.475 22.201 3.154 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -9.522 22.713 1.845 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -10.898 22.143 3.769 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -11.185 20.967 2.502 1.00 0.00 H new ATOM 0 HE ARG A 79 -9.091 19.984 4.200 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -12.589 20.546 4.173 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -12.904 19.317 5.402 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -9.512 18.430 5.771 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -11.169 18.125 6.301 1.00 0.00 H new ATOM 1392 N LEU A 85 -1.828 21.738 -13.055 1.00 0.00 N ATOM 1393 CA LEU A 85 -0.719 20.846 -12.764 1.00 0.00 C ATOM 1394 C LEU A 85 -1.029 19.960 -11.557 1.00 0.00 C ATOM 1395 O LEU A 85 -0.869 18.740 -11.620 1.00 0.00 O ATOM 1396 CB LEU A 85 0.567 21.678 -12.531 1.00 0.00 C ATOM 1397 CG LEU A 85 1.910 20.909 -12.447 1.00 0.00 C ATOM 1398 CD1 LEU A 85 2.100 20.260 -11.083 1.00 0.00 C ATOM 1399 CD2 LEU A 85 2.009 19.868 -13.555 1.00 0.00 C ATOM 0 HA LEU A 85 -0.562 20.186 -13.617 1.00 0.00 H new ATOM 0 HB2 LEU A 85 0.647 22.407 -13.337 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.442 22.239 -11.605 1.00 0.00 H new ATOM 0 HG LEU A 85 2.711 21.635 -12.583 1.00 0.00 H new ATOM 0 HD11 LEU A 85 3.052 19.730 -11.062 1.00 0.00 H new ATOM 0 HD12 LEU A 85 2.095 21.029 -10.310 1.00 0.00 H new ATOM 0 HD13 LEU A 85 1.289 19.556 -10.899 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.960 19.341 -13.475 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.190 19.155 -13.459 1.00 0.00 H new ATOM 0 HD23 LEU A 85 1.948 20.362 -14.525 1.00 0.00 H new ATOM 1411 N GLU A 86 -1.482 20.573 -10.465 1.00 0.00 N ATOM 1412 CA GLU A 86 -1.774 19.825 -9.244 1.00 0.00 C ATOM 1413 C GLU A 86 -2.876 18.802 -9.477 1.00 0.00 C ATOM 1414 O GLU A 86 -2.780 17.675 -9.003 1.00 0.00 O ATOM 1415 CB GLU A 86 -2.127 20.764 -8.083 1.00 0.00 C ATOM 1416 CG GLU A 86 -1.039 21.791 -7.786 1.00 0.00 C ATOM 1417 CD GLU A 86 -1.404 22.741 -6.663 1.00 0.00 C ATOM 1418 OE1 GLU A 86 -2.333 23.546 -6.840 1.00 0.00 O ATOM 1419 OE2 GLU A 86 -0.742 22.706 -5.604 1.00 0.00 O ATOM 0 H GLU A 86 -1.654 21.576 -10.400 1.00 0.00 H new ATOM 0 HA GLU A 86 -0.870 19.284 -8.966 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -3.055 21.285 -8.316 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -2.311 20.170 -7.188 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -0.118 21.270 -7.527 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -0.836 22.367 -8.689 1.00 0.00 H new ATOM 1426 N ARG A 87 -3.916 19.183 -10.229 1.00 0.00 N ATOM 1427 CA ARG A 87 -4.991 18.250 -10.556 1.00 0.00 C ATOM 1428 C ARG A 87 -4.430 17.044 -11.290 1.00 0.00 C ATOM 1429 O ARG A 87 -4.759 15.901 -10.977 1.00 0.00 O ATOM 1430 CB ARG A 87 -6.078 18.919 -11.396 1.00 0.00 C ATOM 1431 CG ARG A 87 -7.258 18.013 -11.708 1.00 0.00 C ATOM 1432 CD ARG A 87 -8.306 18.737 -12.530 1.00 0.00 C ATOM 1433 NE ARG A 87 -7.785 19.170 -13.826 1.00 0.00 N ATOM 1434 CZ ARG A 87 -8.346 20.104 -14.591 1.00 0.00 C ATOM 1435 NH1 ARG A 87 -9.459 20.723 -14.191 1.00 0.00 N ATOM 1436 NH2 ARG A 87 -7.791 20.419 -15.758 1.00 0.00 N ATOM 0 H ARG A 87 -4.032 20.119 -10.616 1.00 0.00 H new ATOM 0 HA ARG A 87 -5.446 17.923 -9.621 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -6.439 19.802 -10.869 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -5.640 19.264 -12.332 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -6.911 17.134 -12.251 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -7.703 17.659 -10.778 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -9.162 18.080 -12.685 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -8.665 19.604 -11.976 1.00 0.00 H new ATOM 0 HE ARG A 87 -6.933 18.726 -14.167 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -9.883 20.481 -13.296 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -9.885 21.438 -14.781 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -6.940 19.946 -16.062 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -8.216 21.134 -16.349 1.00 0.00 H new ATOM 1450 N PHE A 88 -3.561 17.315 -12.273 1.00 0.00 N ATOM 1451 CA PHE A 88 -2.909 16.257 -13.032 1.00 0.00 C ATOM 1452 C PHE A 88 -2.090 15.356 -12.107 1.00 0.00 C ATOM 1453 O PHE A 88 -2.113 14.138 -12.238 1.00 0.00 O ATOM 1454 CB PHE A 88 -2.011 16.852 -14.127 1.00 0.00 C ATOM 1455 CG PHE A 88 -1.118 15.841 -14.793 1.00 0.00 C ATOM 1456 CD1 PHE A 88 -1.642 14.895 -15.658 1.00 0.00 C ATOM 1457 CD2 PHE A 88 0.246 15.832 -14.544 1.00 0.00 C ATOM 1458 CE1 PHE A 88 -0.826 13.961 -16.260 1.00 0.00 C ATOM 1459 CE2 PHE A 88 1.069 14.902 -15.144 1.00 0.00 C ATOM 1460 CZ PHE A 88 0.533 13.965 -16.001 1.00 0.00 C ATOM 0 H PHE A 88 -3.298 18.259 -12.556 1.00 0.00 H new ATOM 0 HA PHE A 88 -3.682 15.654 -13.507 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -2.639 17.323 -14.883 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -1.394 17.638 -13.691 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -2.702 14.889 -15.863 1.00 0.00 H new ATOM 0 HD2 PHE A 88 0.670 16.563 -13.871 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -1.247 13.228 -16.932 1.00 0.00 H new ATOM 0 HE2 PHE A 88 2.130 14.908 -14.943 1.00 0.00 H new ATOM 0 HZ PHE A 88 1.174 13.234 -16.471 1.00 0.00 H new ATOM 1470 N ASN A 89 -1.382 15.972 -11.166 1.00 0.00 N ATOM 1471 CA ASN A 89 -0.569 15.222 -10.206 1.00 0.00 C ATOM 1472 C ASN A 89 -1.442 14.310 -9.368 1.00 0.00 C ATOM 1473 O ASN A 89 -1.155 13.122 -9.227 1.00 0.00 O ATOM 1474 CB ASN A 89 0.240 16.164 -9.304 1.00 0.00 C ATOM 1475 CG ASN A 89 1.525 16.653 -9.955 1.00 0.00 C ATOM 1476 OD1 ASN A 89 2.513 16.920 -9.275 1.00 0.00 O ATOM 1477 ND2 ASN A 89 1.523 16.771 -11.269 1.00 0.00 N ATOM 0 H ASN A 89 -1.352 16.984 -11.045 1.00 0.00 H new ATOM 0 HA ASN A 89 0.135 14.611 -10.771 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -0.377 17.023 -9.040 1.00 0.00 H new ATOM 0 HB3 ASN A 89 0.483 15.648 -8.375 1.00 0.00 H new ATOM 0 HD21 ASN A 89 2.361 17.093 -11.753 1.00 0.00 H new ATOM 0 HD22 ASN A 89 0.684 16.540 -11.801 1.00 0.00 H new ATOM 1484 N TYR A 90 -2.506 14.876 -8.812 1.00 0.00 N ATOM 1485 CA TYR A 90 -3.476 14.114 -8.030 1.00 0.00 C ATOM 1486 C TYR A 90 -4.009 12.941 -8.842 1.00 0.00 C ATOM 1487 O TYR A 90 -3.926 11.788 -8.421 1.00 0.00 O ATOM 1488 CB TYR A 90 -4.652 15.021 -7.626 1.00 0.00 C ATOM 1489 CG TYR A 90 -4.353 16.037 -6.539 1.00 0.00 C ATOM 1490 CD1 TYR A 90 -3.053 16.437 -6.252 1.00 0.00 C ATOM 1491 CD2 TYR A 90 -5.385 16.598 -5.801 1.00 0.00 C ATOM 1492 CE1 TYR A 90 -2.795 17.362 -5.263 1.00 0.00 C ATOM 1493 CE2 TYR A 90 -5.134 17.523 -4.813 1.00 0.00 C ATOM 1494 CZ TYR A 90 -3.840 17.901 -4.545 1.00 0.00 C ATOM 1495 OH TYR A 90 -3.591 18.827 -3.565 1.00 0.00 O ATOM 0 H TYR A 90 -2.722 15.870 -8.889 1.00 0.00 H new ATOM 0 HA TYR A 90 -2.978 13.736 -7.137 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -4.997 15.554 -8.512 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -5.476 14.390 -7.292 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -2.232 16.016 -6.813 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -6.404 16.304 -6.005 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -1.779 17.663 -5.052 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -5.951 17.950 -4.250 1.00 0.00 H new ATOM 0 HH TYR A 90 -4.437 19.107 -3.157 1.00 0.00 H new ATOM 1505 N GLU A 91 -4.525 13.254 -10.020 1.00 0.00 N ATOM 1506 CA GLU A 91 -5.111 12.273 -10.920 1.00 0.00 C ATOM 1507 C GLU A 91 -4.120 11.166 -11.287 1.00 0.00 C ATOM 1508 O GLU A 91 -4.444 9.975 -11.204 1.00 0.00 O ATOM 1509 CB GLU A 91 -5.614 12.981 -12.179 1.00 0.00 C ATOM 1510 CG GLU A 91 -6.315 12.064 -13.160 1.00 0.00 C ATOM 1511 CD GLU A 91 -6.891 12.807 -14.343 1.00 0.00 C ATOM 1512 OE1 GLU A 91 -8.005 13.349 -14.220 1.00 0.00 O ATOM 1513 OE2 GLU A 91 -6.238 12.843 -15.408 1.00 0.00 O ATOM 0 H GLU A 91 -4.549 14.207 -10.382 1.00 0.00 H new ATOM 0 HA GLU A 91 -5.945 11.794 -10.407 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -6.299 13.777 -11.887 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -4.770 13.455 -12.679 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -5.610 11.313 -13.516 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -7.115 11.532 -12.646 1.00 0.00 H new ATOM 1520 N GLU A 92 -2.917 11.556 -11.680 1.00 0.00 N ATOM 1521 CA GLU A 92 -1.913 10.595 -12.101 1.00 0.00 C ATOM 1522 C GLU A 92 -1.462 9.709 -10.942 1.00 0.00 C ATOM 1523 O GLU A 92 -1.366 8.489 -11.088 1.00 0.00 O ATOM 1524 CB GLU A 92 -0.715 11.293 -12.745 1.00 0.00 C ATOM 1525 CG GLU A 92 0.158 10.360 -13.570 1.00 0.00 C ATOM 1526 CD GLU A 92 -0.593 9.752 -14.739 1.00 0.00 C ATOM 1527 OE1 GLU A 92 -1.234 8.700 -14.563 1.00 0.00 O ATOM 1528 OE2 GLU A 92 -0.553 10.327 -15.843 1.00 0.00 O ATOM 0 H GLU A 92 -2.614 12.529 -11.716 1.00 0.00 H new ATOM 0 HA GLU A 92 -2.376 9.953 -12.850 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -1.075 12.100 -13.383 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -0.108 11.750 -11.964 1.00 0.00 H new ATOM 0 HG2 GLU A 92 1.022 10.910 -13.943 1.00 0.00 H new ATOM 0 HG3 GLU A 92 0.539 9.563 -12.931 1.00 0.00 H new ATOM 1535 N ALA A 93 -1.189 10.320 -9.784 1.00 0.00 N ATOM 1536 CA ALA A 93 -0.758 9.570 -8.610 1.00 0.00 C ATOM 1537 C ALA A 93 -1.798 8.538 -8.211 1.00 0.00 C ATOM 1538 O ALA A 93 -1.467 7.389 -7.921 1.00 0.00 O ATOM 1539 CB ALA A 93 -0.473 10.512 -7.448 1.00 0.00 C ATOM 0 H ALA A 93 -1.260 11.327 -9.640 1.00 0.00 H new ATOM 0 HA ALA A 93 0.162 9.044 -8.866 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -0.153 9.934 -6.581 1.00 0.00 H new ATOM 0 HB2 ALA A 93 0.315 11.210 -7.730 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -1.377 11.067 -7.200 1.00 0.00 H new ATOM 1545 N GLN A 94 -3.062 8.949 -8.210 1.00 0.00 N ATOM 1546 CA GLN A 94 -4.160 8.053 -7.871 1.00 0.00 C ATOM 1547 C GLN A 94 -4.266 6.936 -8.893 1.00 0.00 C ATOM 1548 O GLN A 94 -4.600 5.802 -8.557 1.00 0.00 O ATOM 1549 CB GLN A 94 -5.467 8.827 -7.777 1.00 0.00 C ATOM 1550 CG GLN A 94 -5.490 9.813 -6.625 1.00 0.00 C ATOM 1551 CD GLN A 94 -6.702 10.707 -6.643 1.00 0.00 C ATOM 1552 OE1 GLN A 94 -7.237 11.032 -7.705 1.00 0.00 O ATOM 1553 NE2 GLN A 94 -7.141 11.113 -5.475 1.00 0.00 N ATOM 0 H GLN A 94 -3.351 9.900 -8.441 1.00 0.00 H new ATOM 0 HA GLN A 94 -3.958 7.606 -6.898 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -5.633 9.364 -8.711 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -6.292 8.124 -7.663 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -5.463 9.265 -5.683 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -4.591 10.428 -6.662 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -6.666 10.819 -4.621 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -7.957 11.723 -5.421 1.00 0.00 H new ATOM 1562 N THR A 95 -3.975 7.264 -10.140 1.00 0.00 N ATOM 1563 CA THR A 95 -3.951 6.277 -11.199 1.00 0.00 C ATOM 1564 C THR A 95 -2.947 5.177 -10.863 1.00 0.00 C ATOM 1565 O THR A 95 -3.264 3.983 -10.930 1.00 0.00 O ATOM 1566 CB THR A 95 -3.591 6.913 -12.557 1.00 0.00 C ATOM 1567 OG1 THR A 95 -4.621 7.843 -12.942 1.00 0.00 O ATOM 1568 CG2 THR A 95 -3.429 5.842 -13.634 1.00 0.00 C ATOM 0 H THR A 95 -3.751 8.212 -10.442 1.00 0.00 H new ATOM 0 HA THR A 95 -4.951 5.850 -11.280 1.00 0.00 H new ATOM 0 HB THR A 95 -2.642 7.440 -12.454 1.00 0.00 H new ATOM 0 HG1 THR A 95 -4.661 8.575 -12.291 1.00 0.00 H new ATOM 0 HG21 THR A 95 -3.175 6.315 -14.583 1.00 0.00 H new ATOM 0 HG22 THR A 95 -2.633 5.155 -13.347 1.00 0.00 H new ATOM 0 HG23 THR A 95 -4.363 5.291 -13.742 1.00 0.00 H new ATOM 1576 N LEU A 96 -1.754 5.586 -10.436 1.00 0.00 N ATOM 1577 CA LEU A 96 -0.711 4.641 -10.094 1.00 0.00 C ATOM 1578 C LEU A 96 -1.075 3.901 -8.816 1.00 0.00 C ATOM 1579 O LEU A 96 -0.772 2.720 -8.662 1.00 0.00 O ATOM 1580 CB LEU A 96 0.640 5.346 -9.924 1.00 0.00 C ATOM 1581 CG LEU A 96 1.133 6.140 -11.141 1.00 0.00 C ATOM 1582 CD1 LEU A 96 2.452 6.830 -10.829 1.00 0.00 C ATOM 1583 CD2 LEU A 96 1.281 5.231 -12.354 1.00 0.00 C ATOM 0 H LEU A 96 -1.493 6.565 -10.321 1.00 0.00 H new ATOM 0 HA LEU A 96 -0.621 3.926 -10.911 1.00 0.00 H new ATOM 0 HB2 LEU A 96 0.571 6.025 -9.074 1.00 0.00 H new ATOM 0 HB3 LEU A 96 1.391 4.597 -9.673 1.00 0.00 H new ATOM 0 HG LEU A 96 0.390 6.903 -11.374 1.00 0.00 H new ATOM 0 HD11 LEU A 96 2.786 7.388 -11.703 1.00 0.00 H new ATOM 0 HD12 LEU A 96 2.315 7.515 -9.992 1.00 0.00 H new ATOM 0 HD13 LEU A 96 3.201 6.082 -10.568 1.00 0.00 H new ATOM 0 HD21 LEU A 96 1.632 5.815 -13.205 1.00 0.00 H new ATOM 0 HD22 LEU A 96 2.001 4.443 -12.133 1.00 0.00 H new ATOM 0 HD23 LEU A 96 0.316 4.784 -12.593 1.00 0.00 H new ATOM 1595 N SER A 97 -1.737 4.610 -7.904 1.00 0.00 N ATOM 1596 CA SER A 97 -2.169 4.040 -6.639 1.00 0.00 C ATOM 1597 C SER A 97 -3.116 2.867 -6.872 1.00 0.00 C ATOM 1598 O SER A 97 -2.917 1.781 -6.329 1.00 0.00 O ATOM 1599 CB SER A 97 -2.835 5.106 -5.769 1.00 0.00 C ATOM 1600 OG SER A 97 -1.949 6.193 -5.534 1.00 0.00 O ATOM 0 H SER A 97 -1.986 5.592 -8.025 1.00 0.00 H new ATOM 0 HA SER A 97 -1.290 3.669 -6.113 1.00 0.00 H new ATOM 0 HB2 SER A 97 -3.740 5.468 -6.258 1.00 0.00 H new ATOM 0 HB3 SER A 97 -3.140 4.668 -4.819 1.00 0.00 H new ATOM 0 HG SER A 97 -1.805 6.684 -6.370 1.00 0.00 H new ATOM 1606 N LYS A 98 -4.144 3.091 -7.702 1.00 0.00 N ATOM 1607 CA LYS A 98 -5.113 2.052 -8.023 1.00 0.00 C ATOM 1608 C LYS A 98 -4.426 0.859 -8.661 1.00 0.00 C ATOM 1609 O LYS A 98 -4.790 -0.291 -8.400 1.00 0.00 O ATOM 1610 CB LYS A 98 -6.183 2.589 -8.973 1.00 0.00 C ATOM 1611 CG LYS A 98 -6.990 3.760 -8.432 1.00 0.00 C ATOM 1612 CD LYS A 98 -8.146 4.110 -9.366 1.00 0.00 C ATOM 1613 CE LYS A 98 -7.654 4.459 -10.768 1.00 0.00 C ATOM 1614 NZ LYS A 98 -8.766 4.526 -11.745 1.00 0.00 N ATOM 0 H LYS A 98 -4.320 3.985 -8.160 1.00 0.00 H new ATOM 0 HA LYS A 98 -5.586 1.737 -7.093 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -5.703 2.896 -9.902 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -6.868 1.778 -9.221 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -7.379 3.512 -7.444 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -6.341 4.627 -8.311 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -8.836 3.268 -9.422 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -8.703 4.952 -8.956 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -7.136 5.417 -10.742 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -6.929 3.713 -11.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -8.389 4.766 -12.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -9.245 3.604 -11.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -9.445 5.255 -11.448 1.00 0.00 H new ATOM 1628 N ILE A 99 -3.429 1.133 -9.505 1.00 0.00 N ATOM 1629 CA ILE A 99 -2.674 0.073 -10.150 1.00 0.00 C ATOM 1630 C ILE A 99 -1.929 -0.749 -9.103 1.00 0.00 C ATOM 1631 O ILE A 99 -1.953 -1.982 -9.121 1.00 0.00 O ATOM 1632 CB ILE A 99 -1.657 0.630 -11.179 1.00 0.00 C ATOM 1633 CG1 ILE A 99 -2.385 1.377 -12.300 1.00 0.00 C ATOM 1634 CG2 ILE A 99 -0.808 -0.503 -11.754 1.00 0.00 C ATOM 1635 CD1 ILE A 99 -1.456 2.044 -13.298 1.00 0.00 C ATOM 0 H ILE A 99 -3.132 2.077 -9.753 1.00 0.00 H new ATOM 0 HA ILE A 99 -3.387 -0.555 -10.683 1.00 0.00 H new ATOM 0 HB ILE A 99 -0.997 1.332 -10.670 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -3.030 0.677 -12.831 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -3.032 2.135 -11.858 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -0.099 -0.096 -12.475 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -0.264 -0.995 -10.948 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -1.455 -1.227 -12.250 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -2.046 2.552 -14.061 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -0.828 2.770 -12.782 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -0.826 1.290 -13.769 1.00 0.00 H new ATOM 1647 N LEU A 100 -1.288 -0.037 -8.180 1.00 0.00 N ATOM 1648 CA LEU A 100 -0.516 -0.645 -7.105 1.00 0.00 C ATOM 1649 C LEU A 100 -1.391 -1.557 -6.245 1.00 0.00 C ATOM 1650 O LEU A 100 -1.058 -2.718 -6.025 1.00 0.00 O ATOM 1651 CB LEU A 100 0.127 0.450 -6.243 1.00 0.00 C ATOM 1652 CG LEU A 100 0.961 -0.030 -5.052 1.00 0.00 C ATOM 1653 CD1 LEU A 100 2.161 -0.844 -5.522 1.00 0.00 C ATOM 1654 CD2 LEU A 100 1.413 1.153 -4.210 1.00 0.00 C ATOM 0 H LEU A 100 -1.291 0.983 -8.158 1.00 0.00 H new ATOM 0 HA LEU A 100 0.269 -1.258 -7.548 1.00 0.00 H new ATOM 0 HB2 LEU A 100 0.764 1.060 -6.883 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -0.664 1.099 -5.868 1.00 0.00 H new ATOM 0 HG LEU A 100 0.336 -0.676 -4.435 1.00 0.00 H new ATOM 0 HD11 LEU A 100 2.738 -1.174 -4.658 1.00 0.00 H new ATOM 0 HD12 LEU A 100 1.815 -1.714 -6.080 1.00 0.00 H new ATOM 0 HD13 LEU A 100 2.790 -0.227 -6.164 1.00 0.00 H new ATOM 0 HD21 LEU A 100 2.005 0.795 -3.367 1.00 0.00 H new ATOM 0 HD22 LEU A 100 2.019 1.823 -4.820 1.00 0.00 H new ATOM 0 HD23 LEU A 100 0.540 1.690 -3.838 1.00 0.00 H new ATOM 1666 N LEU A 101 -2.522 -1.029 -5.783 1.00 0.00 N ATOM 1667 CA LEU A 101 -3.454 -1.796 -4.952 1.00 0.00 C ATOM 1668 C LEU A 101 -3.970 -3.019 -5.696 1.00 0.00 C ATOM 1669 O LEU A 101 -4.104 -4.102 -5.114 1.00 0.00 O ATOM 1670 CB LEU A 101 -4.637 -0.920 -4.498 1.00 0.00 C ATOM 1671 CG LEU A 101 -4.441 -0.109 -3.204 1.00 0.00 C ATOM 1672 CD1 LEU A 101 -4.194 -1.031 -2.021 1.00 0.00 C ATOM 1673 CD2 LEU A 101 -3.308 0.897 -3.346 1.00 0.00 C ATOM 0 H LEU A 101 -2.818 -0.071 -5.969 1.00 0.00 H new ATOM 0 HA LEU A 101 -2.908 -2.130 -4.070 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -4.874 -0.224 -5.303 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -5.507 -1.564 -4.367 1.00 0.00 H new ATOM 0 HG LEU A 101 -5.360 0.448 -3.021 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -4.058 -0.436 -1.118 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -5.049 -1.695 -1.893 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -3.298 -1.624 -2.203 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -3.196 1.453 -2.415 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -2.380 0.371 -3.568 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -3.535 1.589 -4.157 1.00 0.00 H new ATOM 1685 N LYS A 102 -4.245 -2.851 -6.980 1.00 0.00 N ATOM 1686 CA LYS A 102 -4.721 -3.944 -7.803 1.00 0.00 C ATOM 1687 C LYS A 102 -3.656 -5.032 -7.914 1.00 0.00 C ATOM 1688 O LYS A 102 -3.978 -6.222 -7.901 1.00 0.00 O ATOM 1689 CB LYS A 102 -5.118 -3.433 -9.191 1.00 0.00 C ATOM 1690 CG LYS A 102 -5.748 -4.486 -10.086 1.00 0.00 C ATOM 1691 CD LYS A 102 -6.257 -3.883 -11.389 1.00 0.00 C ATOM 1692 CE LYS A 102 -5.122 -3.340 -12.247 1.00 0.00 C ATOM 1693 NZ LYS A 102 -5.624 -2.753 -13.511 1.00 0.00 N ATOM 0 H LYS A 102 -4.145 -1.964 -7.473 1.00 0.00 H new ATOM 0 HA LYS A 102 -5.603 -4.376 -7.330 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -5.818 -2.605 -9.075 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -4.232 -3.034 -9.686 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -5.016 -5.263 -10.306 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -6.573 -4.965 -9.559 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -6.805 -4.640 -11.949 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -6.960 -3.080 -11.167 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -4.572 -2.583 -11.687 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -4.420 -4.143 -12.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -4.823 -2.394 -14.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -6.127 -3.482 -14.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -6.275 -1.971 -13.296 1.00 0.00 H new ATOM 1707 N ASP A 103 -2.391 -4.636 -7.999 1.00 0.00 N ATOM 1708 CA ASP A 103 -1.312 -5.612 -8.103 1.00 0.00 C ATOM 1709 C ASP A 103 -1.134 -6.349 -6.776 1.00 0.00 C ATOM 1710 O ASP A 103 -0.832 -7.548 -6.760 1.00 0.00 O ATOM 1711 CB ASP A 103 0.002 -4.946 -8.512 1.00 0.00 C ATOM 1712 CG ASP A 103 1.003 -5.940 -9.071 1.00 0.00 C ATOM 1713 OD1 ASP A 103 1.600 -6.699 -8.293 1.00 0.00 O ATOM 1714 OD2 ASP A 103 1.197 -5.962 -10.308 1.00 0.00 O ATOM 0 H ASP A 103 -2.090 -3.661 -7.998 1.00 0.00 H new ATOM 0 HA ASP A 103 -1.584 -6.329 -8.877 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -0.200 -4.178 -9.259 1.00 0.00 H new ATOM 0 HB3 ASP A 103 0.436 -4.444 -7.648 1.00 0.00 H new ATOM 1719 N LEU A 104 -1.343 -5.645 -5.655 1.00 0.00 N ATOM 1720 CA LEU A 104 -1.254 -6.275 -4.339 1.00 0.00 C ATOM 1721 C LEU A 104 -2.284 -7.384 -4.212 1.00 0.00 C ATOM 1722 O LEU A 104 -1.962 -8.499 -3.813 1.00 0.00 O ATOM 1723 CB LEU A 104 -1.479 -5.245 -3.215 1.00 0.00 C ATOM 1724 CG LEU A 104 -0.225 -4.613 -2.586 1.00 0.00 C ATOM 1725 CD1 LEU A 104 0.651 -5.673 -1.935 1.00 0.00 C ATOM 1726 CD2 LEU A 104 0.563 -3.819 -3.611 1.00 0.00 C ATOM 0 H LEU A 104 -1.572 -4.651 -5.636 1.00 0.00 H new ATOM 0 HA LEU A 104 -0.252 -6.693 -4.240 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -2.101 -4.442 -3.611 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -2.049 -5.728 -2.422 1.00 0.00 H new ATOM 0 HG LEU A 104 -0.556 -3.923 -1.810 1.00 0.00 H new ATOM 0 HD11 LEU A 104 1.530 -5.200 -1.498 1.00 0.00 H new ATOM 0 HD12 LEU A 104 0.087 -6.182 -1.154 1.00 0.00 H new ATOM 0 HD13 LEU A 104 0.964 -6.398 -2.686 1.00 0.00 H new ATOM 0 HD21 LEU A 104 1.443 -3.385 -3.137 1.00 0.00 H new ATOM 0 HD22 LEU A 104 0.875 -4.479 -4.420 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -0.063 -3.022 -4.013 1.00 0.00 H new ATOM 1738 N LYS A 105 -3.530 -7.065 -4.555 1.00 0.00 N ATOM 1739 CA LYS A 105 -4.616 -8.038 -4.480 1.00 0.00 C ATOM 1740 C LYS A 105 -4.411 -9.198 -5.440 1.00 0.00 C ATOM 1741 O LYS A 105 -4.823 -10.319 -5.157 1.00 0.00 O ATOM 1742 CB LYS A 105 -5.968 -7.379 -4.708 1.00 0.00 C ATOM 1743 CG LYS A 105 -6.351 -6.397 -3.613 1.00 0.00 C ATOM 1744 CD LYS A 105 -7.826 -6.042 -3.668 1.00 0.00 C ATOM 1745 CE LYS A 105 -8.706 -7.250 -3.355 1.00 0.00 C ATOM 1746 NZ LYS A 105 -8.406 -7.839 -2.021 1.00 0.00 N ATOM 0 H LYS A 105 -3.812 -6.143 -4.887 1.00 0.00 H new ATOM 0 HA LYS A 105 -4.604 -8.446 -3.469 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -5.953 -6.858 -5.665 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -6.734 -8.152 -4.778 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -6.116 -6.828 -2.640 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -5.754 -5.490 -3.712 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -8.036 -5.244 -2.956 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -8.072 -5.658 -4.658 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -9.754 -6.952 -3.390 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -8.564 -8.009 -4.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -9.255 -8.313 -1.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -7.635 -8.531 -2.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -8.118 -7.085 -1.365 1.00 0.00 H new ATOM 1760 N GLU A 106 -3.764 -8.936 -6.566 1.00 0.00 N ATOM 1761 CA GLU A 106 -3.468 -9.986 -7.525 1.00 0.00 C ATOM 1762 C GLU A 106 -2.473 -10.953 -6.902 1.00 0.00 C ATOM 1763 O GLU A 106 -2.601 -12.174 -7.015 1.00 0.00 O ATOM 1764 CB GLU A 106 -2.896 -9.382 -8.812 1.00 0.00 C ATOM 1765 CG GLU A 106 -2.484 -10.407 -9.857 1.00 0.00 C ATOM 1766 CD GLU A 106 -1.975 -9.760 -11.122 1.00 0.00 C ATOM 1767 OE1 GLU A 106 -0.815 -9.297 -11.137 1.00 0.00 O ATOM 1768 OE2 GLU A 106 -2.740 -9.692 -12.109 1.00 0.00 O ATOM 0 H GLU A 106 -3.436 -8.009 -6.836 1.00 0.00 H new ATOM 0 HA GLU A 106 -4.383 -10.521 -7.780 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -3.640 -8.715 -9.248 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -2.030 -8.771 -8.559 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -1.709 -11.053 -9.444 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -3.336 -11.044 -10.094 1.00 0.00 H new ATOM 1775 N THR A 107 -1.506 -10.386 -6.210 1.00 0.00 N ATOM 1776 CA THR A 107 -0.503 -11.155 -5.524 1.00 0.00 C ATOM 1777 C THR A 107 -1.151 -11.919 -4.360 1.00 0.00 C ATOM 1778 O THR A 107 -0.865 -13.099 -4.146 1.00 0.00 O ATOM 1779 CB THR A 107 0.626 -10.237 -5.014 1.00 0.00 C ATOM 1780 OG1 THR A 107 1.163 -9.490 -6.119 1.00 0.00 O ATOM 1781 CG2 THR A 107 1.740 -11.045 -4.373 1.00 0.00 C ATOM 0 H THR A 107 -1.398 -9.377 -6.111 1.00 0.00 H new ATOM 0 HA THR A 107 -0.064 -11.872 -6.217 1.00 0.00 H new ATOM 0 HB THR A 107 0.211 -9.564 -4.264 1.00 0.00 H new ATOM 0 HG1 THR A 107 0.514 -8.812 -6.402 1.00 0.00 H new ATOM 0 HG21 THR A 107 2.522 -10.372 -4.023 1.00 0.00 H new ATOM 0 HG22 THR A 107 1.342 -11.609 -3.529 1.00 0.00 H new ATOM 0 HG23 THR A 107 2.157 -11.735 -5.106 1.00 0.00 H new ATOM 1789 N GLU A 108 -2.033 -11.231 -3.624 1.00 0.00 N ATOM 1790 CA GLU A 108 -2.826 -11.824 -2.544 1.00 0.00 C ATOM 1791 C GLU A 108 -3.506 -13.116 -3.007 1.00 0.00 C ATOM 1792 O GLU A 108 -3.326 -14.179 -2.401 1.00 0.00 O ATOM 1793 CB GLU A 108 -3.898 -10.807 -2.113 1.00 0.00 C ATOM 1794 CG GLU A 108 -4.884 -11.315 -1.074 1.00 0.00 C ATOM 1795 CD GLU A 108 -6.310 -10.861 -1.356 1.00 0.00 C ATOM 1796 OE1 GLU A 108 -6.557 -9.639 -1.410 1.00 0.00 O ATOM 1797 OE2 GLU A 108 -7.193 -11.735 -1.543 1.00 0.00 O ATOM 0 H GLU A 108 -2.217 -10.238 -3.764 1.00 0.00 H new ATOM 0 HA GLU A 108 -2.168 -12.068 -1.710 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -3.400 -9.922 -1.717 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -4.454 -10.491 -2.996 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -4.851 -12.404 -1.048 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -4.582 -10.963 -0.088 1.00 0.00 H new ATOM 1804 N GLN A 109 -4.274 -13.012 -4.085 1.00 0.00 N ATOM 1805 CA GLN A 109 -4.990 -14.154 -4.633 1.00 0.00 C ATOM 1806 C GLN A 109 -4.039 -15.277 -5.027 1.00 0.00 C ATOM 1807 O GLN A 109 -4.373 -16.443 -4.899 1.00 0.00 O ATOM 1808 CB GLN A 109 -5.849 -13.735 -5.825 1.00 0.00 C ATOM 1809 CG GLN A 109 -6.887 -12.680 -5.480 1.00 0.00 C ATOM 1810 CD GLN A 109 -7.810 -12.360 -6.634 1.00 0.00 C ATOM 1811 OE1 GLN A 109 -7.435 -12.475 -7.800 1.00 0.00 O ATOM 1812 NE2 GLN A 109 -9.021 -11.943 -6.313 1.00 0.00 N ATOM 0 H GLN A 109 -4.416 -12.142 -4.598 1.00 0.00 H new ATOM 0 HA GLN A 109 -5.645 -14.535 -3.850 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -5.201 -13.352 -6.614 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -6.354 -14.614 -6.226 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -7.480 -13.025 -4.633 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -6.380 -11.768 -5.164 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -9.289 -11.863 -5.332 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -9.688 -11.701 -7.046 1.00 0.00 H new ATOM 1821 N LYS A 110 -2.852 -14.916 -5.497 1.00 0.00 N ATOM 1822 CA LYS A 110 -1.848 -15.906 -5.891 1.00 0.00 C ATOM 1823 C LYS A 110 -1.341 -16.709 -4.688 1.00 0.00 C ATOM 1824 O LYS A 110 -1.241 -17.943 -4.737 1.00 0.00 O ATOM 1825 CB LYS A 110 -0.688 -15.236 -6.627 1.00 0.00 C ATOM 1826 CG LYS A 110 -0.823 -15.250 -8.147 1.00 0.00 C ATOM 1827 CD LYS A 110 -2.181 -14.744 -8.610 1.00 0.00 C ATOM 1828 CE LYS A 110 -2.276 -14.704 -10.124 1.00 0.00 C ATOM 1829 NZ LYS A 110 -1.992 -16.027 -10.738 1.00 0.00 N ATOM 0 H LYS A 110 -2.557 -13.947 -5.616 1.00 0.00 H new ATOM 0 HA LYS A 110 -2.328 -16.609 -6.572 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -0.606 -14.203 -6.290 1.00 0.00 H new ATOM 0 HB3 LYS A 110 0.240 -15.736 -6.351 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -0.039 -14.632 -8.585 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -0.671 -16.265 -8.514 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -2.965 -15.389 -8.213 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -2.355 -13.746 -8.208 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -3.274 -14.377 -10.415 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -1.573 -13.967 -10.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -2.263 -16.009 -11.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -0.977 -16.236 -10.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -2.538 -16.763 -10.245 1.00 0.00 H new ATOM 1843 N VAL A 111 -1.039 -16.003 -3.603 1.00 0.00 N ATOM 1844 CA VAL A 111 -0.568 -16.646 -2.379 1.00 0.00 C ATOM 1845 C VAL A 111 -1.626 -17.615 -1.868 1.00 0.00 C ATOM 1846 O VAL A 111 -1.334 -18.762 -1.542 1.00 0.00 O ATOM 1847 CB VAL A 111 -0.260 -15.608 -1.267 1.00 0.00 C ATOM 1848 CG1 VAL A 111 0.305 -16.294 -0.033 1.00 0.00 C ATOM 1849 CG2 VAL A 111 0.703 -14.543 -1.766 1.00 0.00 C ATOM 0 H VAL A 111 -1.111 -14.987 -3.545 1.00 0.00 H new ATOM 0 HA VAL A 111 0.353 -17.178 -2.620 1.00 0.00 H new ATOM 0 HB VAL A 111 -1.197 -15.121 -0.996 1.00 0.00 H new ATOM 0 HG11 VAL A 111 0.514 -15.548 0.734 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -0.420 -17.013 0.348 1.00 0.00 H new ATOM 0 HG13 VAL A 111 1.227 -16.813 -0.295 1.00 0.00 H new ATOM 0 HG21 VAL A 111 0.902 -13.829 -0.967 1.00 0.00 H new ATOM 0 HG22 VAL A 111 1.637 -15.013 -2.073 1.00 0.00 H new ATOM 0 HG23 VAL A 111 0.262 -14.023 -2.616 1.00 0.00 H new ATOM 1859 N LYS A 112 -2.863 -17.140 -1.842 1.00 0.00 N ATOM 1860 CA LYS A 112 -4.001 -17.933 -1.394 1.00 0.00 C ATOM 1861 C LYS A 112 -4.365 -19.008 -2.422 1.00 0.00 C ATOM 1862 O LYS A 112 -5.098 -19.949 -2.121 1.00 0.00 O ATOM 1863 CB LYS A 112 -5.186 -17.005 -1.131 1.00 0.00 C ATOM 1864 CG LYS A 112 -4.943 -16.049 0.029 1.00 0.00 C ATOM 1865 CD LYS A 112 -5.775 -14.779 -0.077 1.00 0.00 C ATOM 1866 CE LYS A 112 -7.260 -15.069 -0.128 1.00 0.00 C ATOM 1867 NZ LYS A 112 -8.061 -13.824 -0.047 1.00 0.00 N ATOM 0 H LYS A 112 -3.107 -16.193 -2.131 1.00 0.00 H new ATOM 0 HA LYS A 112 -3.735 -18.447 -0.471 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -5.397 -16.429 -2.032 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -6.072 -17.605 -0.922 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -5.175 -16.554 0.966 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -3.886 -15.785 0.063 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -5.562 -14.135 0.776 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -5.483 -14.229 -0.972 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -7.497 -15.596 -1.052 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -7.531 -15.731 0.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -9.073 -14.062 -0.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -7.827 -13.317 0.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -7.845 -13.218 -0.864 1.00 0.00 H new ATOM 1881 N ASP A 113 -3.841 -18.856 -3.629 1.00 0.00 N ATOM 1882 CA ASP A 113 -4.063 -19.815 -4.706 1.00 0.00 C ATOM 1883 C ASP A 113 -3.229 -21.065 -4.472 1.00 0.00 C ATOM 1884 O ASP A 113 -3.635 -22.173 -4.830 1.00 0.00 O ATOM 1885 CB ASP A 113 -3.704 -19.183 -6.061 1.00 0.00 C ATOM 1886 CG ASP A 113 -3.810 -20.137 -7.232 1.00 0.00 C ATOM 1887 OD1 ASP A 113 -4.916 -20.289 -7.782 1.00 0.00 O ATOM 1888 OD2 ASP A 113 -2.777 -20.703 -7.636 1.00 0.00 O ATOM 0 H ASP A 113 -3.251 -18.067 -3.891 1.00 0.00 H new ATOM 0 HA ASP A 113 -5.117 -20.093 -4.718 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -4.361 -18.331 -6.239 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -2.686 -18.796 -6.012 1.00 0.00 H new ATOM 1893 N ILE A 114 -2.071 -20.888 -3.848 1.00 0.00 N ATOM 1894 CA ILE A 114 -1.182 -22.006 -3.556 1.00 0.00 C ATOM 1895 C ILE A 114 -1.723 -22.863 -2.405 1.00 0.00 C ATOM 1896 O ILE A 114 -2.022 -22.362 -1.309 1.00 0.00 O ATOM 1897 CB ILE A 114 0.269 -21.519 -3.233 1.00 0.00 C ATOM 1898 CG1 ILE A 114 1.116 -21.426 -4.510 1.00 0.00 C ATOM 1899 CG2 ILE A 114 0.956 -22.434 -2.224 1.00 0.00 C ATOM 1900 CD1 ILE A 114 0.543 -20.529 -5.578 1.00 0.00 C ATOM 0 H ILE A 114 -1.725 -19.981 -3.534 1.00 0.00 H new ATOM 0 HA ILE A 114 -1.141 -22.622 -4.454 1.00 0.00 H new ATOM 0 HB ILE A 114 0.182 -20.526 -2.793 1.00 0.00 H new ATOM 0 HG12 ILE A 114 2.110 -21.065 -4.246 1.00 0.00 H new ATOM 0 HG13 ILE A 114 1.239 -22.427 -4.922 1.00 0.00 H new ATOM 0 HG21 ILE A 114 1.962 -22.065 -2.024 1.00 0.00 H new ATOM 0 HG22 ILE A 114 0.383 -22.448 -1.297 1.00 0.00 H new ATOM 0 HG23 ILE A 114 1.014 -23.444 -2.630 1.00 0.00 H new ATOM 0 HD11 ILE A 114 1.206 -20.523 -6.443 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -0.438 -20.899 -5.876 1.00 0.00 H new ATOM 0 HD13 ILE A 114 0.446 -19.516 -5.189 1.00 0.00 H new ATOM 1912 N GLN A 115 -1.865 -24.152 -2.682 1.00 0.00 N ATOM 1913 CA GLN A 115 -2.311 -25.121 -1.689 1.00 0.00 C ATOM 1914 C GLN A 115 -1.163 -25.459 -0.740 1.00 0.00 C ATOM 1915 O GLN A 115 -0.108 -25.946 -1.165 1.00 0.00 O ATOM 1916 CB GLN A 115 -2.821 -26.391 -2.382 1.00 0.00 C ATOM 1917 CG GLN A 115 -1.795 -27.037 -3.303 1.00 0.00 C ATOM 1918 CD GLN A 115 -2.325 -28.255 -4.033 1.00 0.00 C ATOM 1919 OE1 GLN A 115 -3.190 -28.968 -3.533 1.00 0.00 O ATOM 1920 NE2 GLN A 115 -1.811 -28.494 -5.226 1.00 0.00 N ATOM 0 H GLN A 115 -1.675 -24.555 -3.599 1.00 0.00 H new ATOM 0 HA GLN A 115 -3.128 -24.688 -1.112 1.00 0.00 H new ATOM 0 HB2 GLN A 115 -3.121 -27.113 -1.623 1.00 0.00 H new ATOM 0 HB3 GLN A 115 -3.712 -26.147 -2.960 1.00 0.00 H new ATOM 0 HG2 GLN A 115 -1.460 -26.301 -4.034 1.00 0.00 H new ATOM 0 HG3 GLN A 115 -0.922 -27.325 -2.717 1.00 0.00 H new ATOM 0 HE21 GLN A 115 -1.093 -27.876 -5.605 1.00 0.00 H new ATOM 0 HE22 GLN A 115 -2.132 -29.296 -5.768 1.00 0.00 H new ATOM 1929 N THR A 116 -1.345 -25.178 0.526 1.00 0.00 N ATOM 1930 CA THR A 116 -0.310 -25.435 1.494 1.00 0.00 C ATOM 1931 C THR A 116 -0.670 -26.581 2.433 1.00 0.00 C ATOM 1932 O THR A 116 -1.798 -27.083 2.417 1.00 0.00 O ATOM 1933 CB THR A 116 0.003 -24.172 2.299 1.00 0.00 C ATOM 1934 OG1 THR A 116 -1.195 -23.675 2.910 1.00 0.00 O ATOM 1935 CG2 THR A 116 0.580 -23.109 1.388 1.00 0.00 C ATOM 0 H THR A 116 -2.199 -24.772 0.909 1.00 0.00 H new ATOM 0 HA THR A 116 0.578 -25.734 0.938 1.00 0.00 H new ATOM 0 HB THR A 116 0.730 -24.418 3.073 1.00 0.00 H new ATOM 0 HG1 THR A 116 -0.989 -22.867 3.425 1.00 0.00 H new ATOM 0 HG21 THR A 116 0.800 -22.213 1.968 1.00 0.00 H new ATOM 0 HG22 THR A 116 1.497 -23.480 0.931 1.00 0.00 H new ATOM 0 HG23 THR A 116 -0.142 -22.868 0.608 1.00 0.00 H new ATOM 1943 N GLN A 117 0.303 -26.994 3.241 1.00 0.00 N ATOM 1944 CA GLN A 117 0.121 -28.090 4.180 1.00 0.00 C ATOM 1945 C GLN A 117 -0.532 -27.615 5.475 1.00 0.00 C ATOM 1946 O GLN A 117 0.197 -27.246 6.412 1.00 0.00 O ATOM 1947 CB GLN A 117 1.467 -28.755 4.483 1.00 0.00 C ATOM 1948 CG GLN A 117 2.114 -29.431 3.284 1.00 0.00 C ATOM 1949 CD GLN A 117 1.367 -30.671 2.838 1.00 0.00 C ATOM 1950 OE1 GLN A 117 1.645 -31.779 3.305 1.00 0.00 O ATOM 1951 NE2 GLN A 117 0.424 -30.503 1.937 1.00 0.00 N ATOM 1952 OXT GLN A 117 -1.770 -27.629 5.557 1.00 0.00 O ATOM 0 H GLN A 117 1.234 -26.579 3.261 1.00 0.00 H new ATOM 0 HA GLN A 117 -0.545 -28.818 3.717 1.00 0.00 H new ATOM 0 HB2 GLN A 117 2.151 -28.002 4.874 1.00 0.00 H new ATOM 0 HB3 GLN A 117 1.324 -29.496 5.270 1.00 0.00 H new ATOM 0 HG2 GLN A 117 2.163 -28.724 2.456 1.00 0.00 H new ATOM 0 HG3 GLN A 117 3.140 -29.700 3.534 1.00 0.00 H new ATOM 0 HE21 GLN A 117 0.224 -29.570 1.576 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -0.108 -31.305 1.600 1.00 0.00 H new