USER MOD reduce.3.24.130724 H: found=0, std=0, add=672, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 672 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 GLN :FLIP amide:sc= -2.03! C(o=-7.6!,f=-0.92!) USER MOD Set 1.2: A 93 LYS NZ :NH3+ -143:sc= 1.12 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc= -4.56! C(o=-4.6!,f=-13!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 172:sc= 1.27 (180deg=1.17) USER MOD Single : A 44 GLN : amide:sc=-0.00453 X(o=-0.0045,f=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.0149) USER MOD Single : A 53 LYS NZ :NH3+ -171:sc= -0.547 (180deg=-0.619) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 180:sc= -0.995 USER MOD Single : A 60 MET CE :methyl 163:sc= -0.985 (180deg=-2.02!) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= -0.136 K(o=-0.14,f=-1.1) USER MOD Single : A 95 GLN : amide:sc= -0.0271 K(o=-0.027,f=-0.99) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 GLN : amide:sc= -0.101 K(o=-0.1,f=-1.8!) USER MOD Single : A 104 LYS NZ :NH3+ 169:sc= 0.122 (180deg=0.0974) USER MOD Single : A 106 SER OG : rot 180:sc= -0.479 USER MOD ----------------------------------------------------------------- ATOM 307 N HIS A 26 2.007 7.456 -5.644 1.00 0.00 N ATOM 308 CA HIS A 26 2.217 7.900 -4.277 1.00 0.00 C ATOM 309 C HIS A 26 2.998 6.835 -3.505 1.00 0.00 C ATOM 310 O HIS A 26 2.755 5.641 -3.670 1.00 0.00 O ATOM 311 CB HIS A 26 0.886 8.257 -3.612 1.00 0.00 C ATOM 312 CG HIS A 26 1.032 9.006 -2.309 1.00 0.00 C ATOM 313 ND1 HIS A 26 1.413 8.391 -1.129 1.00 0.00 N ATOM 314 CD2 HIS A 26 0.844 10.324 -2.013 1.00 0.00 C ATOM 315 CE1 HIS A 26 1.450 9.308 -0.173 1.00 0.00 C ATOM 316 NE2 HIS A 26 1.096 10.505 -0.722 1.00 0.00 N ATOM 0 HA HIS A 26 2.815 8.812 -4.275 1.00 0.00 H new ATOM 0 HB2 HIS A 26 0.297 8.861 -4.302 1.00 0.00 H new ATOM 0 HB3 HIS A 26 0.324 7.340 -3.431 1.00 0.00 H new ATOM 0 HD2 HIS A 26 0.541 11.091 -2.711 1.00 0.00 H new ATOM 0 HE1 HIS A 26 1.714 9.137 0.860 1.00 0.00 H new ATOM 0 HE2 HIS A 26 1.035 11.393 -0.223 1.00 0.00 H new ATOM 324 N PRO A 27 3.946 7.318 -2.659 1.00 0.00 N ATOM 325 CA PRO A 27 4.765 6.421 -1.861 1.00 0.00 C ATOM 326 C PRO A 27 3.966 5.843 -0.692 1.00 0.00 C ATOM 327 O PRO A 27 4.146 4.683 -0.326 1.00 0.00 O ATOM 328 CB PRO A 27 5.949 7.263 -1.413 1.00 0.00 C ATOM 329 CG PRO A 27 5.519 8.711 -1.583 1.00 0.00 C ATOM 330 CD PRO A 27 4.262 8.727 -2.438 1.00 0.00 C ATOM 0 HA PRO A 27 5.103 5.549 -2.422 1.00 0.00 H new ATOM 0 HB2 PRO A 27 6.208 7.052 -0.376 1.00 0.00 H new ATOM 0 HB3 PRO A 27 6.833 7.045 -2.013 1.00 0.00 H new ATOM 0 HG2 PRO A 27 5.326 9.168 -0.613 1.00 0.00 H new ATOM 0 HG3 PRO A 27 6.311 9.291 -2.057 1.00 0.00 H new ATOM 0 HD2 PRO A 27 3.445 9.241 -1.932 1.00 0.00 H new ATOM 0 HD3 PRO A 27 4.431 9.248 -3.381 1.00 0.00 H new ATOM 338 N GLY A 28 3.100 6.679 -0.138 1.00 0.00 N ATOM 339 CA GLY A 28 2.272 6.265 0.983 1.00 0.00 C ATOM 340 C GLY A 28 1.378 5.085 0.598 1.00 0.00 C ATOM 341 O GLY A 28 1.031 4.262 1.444 1.00 0.00 O ATOM 0 H GLY A 28 2.954 7.641 -0.444 1.00 0.00 H new ATOM 0 HA2 GLY A 28 2.906 5.986 1.825 1.00 0.00 H new ATOM 0 HA3 GLY A 28 1.655 7.101 1.312 1.00 0.00 H new ATOM 345 N VAL A 29 1.031 5.039 -0.680 1.00 0.00 N ATOM 346 CA VAL A 29 0.184 3.973 -1.187 1.00 0.00 C ATOM 347 C VAL A 29 1.043 2.741 -1.482 1.00 0.00 C ATOM 348 O VAL A 29 0.806 1.668 -0.930 1.00 0.00 O ATOM 349 CB VAL A 29 -0.598 4.462 -2.408 1.00 0.00 C ATOM 350 CG1 VAL A 29 -1.413 3.325 -3.029 1.00 0.00 C ATOM 351 CG2 VAL A 29 -1.497 5.646 -2.045 1.00 0.00 C ATOM 0 H VAL A 29 1.321 5.723 -1.379 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.554 3.683 -0.439 1.00 0.00 H new ATOM 0 HB VAL A 29 0.122 4.803 -3.152 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -1.959 3.700 -3.895 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -0.742 2.525 -3.342 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -2.119 2.940 -2.293 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -2.042 5.974 -2.930 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -2.206 5.342 -1.275 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -0.885 6.466 -1.671 1.00 0.00 H new ATOM 361 N LEU A 30 2.023 2.937 -2.352 1.00 0.00 N ATOM 362 CA LEU A 30 2.919 1.856 -2.726 1.00 0.00 C ATOM 363 C LEU A 30 3.323 1.077 -1.473 1.00 0.00 C ATOM 364 O LEU A 30 3.486 -0.141 -1.521 1.00 0.00 O ATOM 365 CB LEU A 30 4.106 2.397 -3.525 1.00 0.00 C ATOM 366 CG LEU A 30 3.761 3.180 -4.793 1.00 0.00 C ATOM 367 CD1 LEU A 30 4.790 4.282 -5.053 1.00 0.00 C ATOM 368 CD2 LEU A 30 3.609 2.243 -5.993 1.00 0.00 C ATOM 0 H LEU A 30 2.216 3.828 -2.809 1.00 0.00 H new ATOM 0 HA LEU A 30 2.413 1.153 -3.388 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.694 3.042 -2.872 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.744 1.558 -3.802 1.00 0.00 H new ATOM 0 HG LEU A 30 2.798 3.667 -4.642 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.522 4.824 -5.960 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.805 4.972 -4.209 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.777 3.836 -5.175 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.364 2.826 -6.881 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.544 1.707 -6.157 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.811 1.527 -5.797 1.00 0.00 H new ATOM 380 N LYS A 31 3.474 1.813 -0.381 1.00 0.00 N ATOM 381 CA LYS A 31 3.856 1.206 0.882 1.00 0.00 C ATOM 382 C LYS A 31 2.958 -0.002 1.156 1.00 0.00 C ATOM 383 O LYS A 31 3.417 -1.014 1.683 1.00 0.00 O ATOM 384 CB LYS A 31 3.842 2.248 2.003 1.00 0.00 C ATOM 385 CG LYS A 31 5.006 2.027 2.972 1.00 0.00 C ATOM 386 CD LYS A 31 5.321 3.306 3.750 1.00 0.00 C ATOM 387 CE LYS A 31 6.826 3.441 3.995 1.00 0.00 C ATOM 388 NZ LYS A 31 7.215 4.868 4.051 1.00 0.00 N ATOM 0 H LYS A 31 3.339 2.823 -0.345 1.00 0.00 H new ATOM 0 HA LYS A 31 4.881 0.837 0.832 1.00 0.00 H new ATOM 0 HB2 LYS A 31 3.905 3.249 1.575 1.00 0.00 H new ATOM 0 HB3 LYS A 31 2.898 2.192 2.545 1.00 0.00 H new ATOM 0 HG2 LYS A 31 4.758 1.226 3.668 1.00 0.00 H new ATOM 0 HG3 LYS A 31 5.889 1.707 2.419 1.00 0.00 H new ATOM 0 HD2 LYS A 31 4.960 4.172 3.195 1.00 0.00 H new ATOM 0 HD3 LYS A 31 4.793 3.296 4.704 1.00 0.00 H new ATOM 0 HE2 LYS A 31 7.094 2.948 4.929 1.00 0.00 H new ATOM 0 HE3 LYS A 31 7.377 2.939 3.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 8.239 4.942 4.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 6.977 5.328 3.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 6.703 5.337 4.825 1.00 0.00 H new ATOM 402 N VAL A 32 1.695 0.144 0.785 1.00 0.00 N ATOM 403 CA VAL A 32 0.729 -0.923 0.983 1.00 0.00 C ATOM 404 C VAL A 32 0.951 -2.010 -0.071 1.00 0.00 C ATOM 405 O VAL A 32 0.931 -3.199 0.244 1.00 0.00 O ATOM 406 CB VAL A 32 -0.691 -0.354 0.964 1.00 0.00 C ATOM 407 CG1 VAL A 32 -0.710 1.090 1.471 1.00 0.00 C ATOM 408 CG2 VAL A 32 -1.302 -0.452 -0.435 1.00 0.00 C ATOM 0 H VAL A 32 1.318 0.985 0.348 1.00 0.00 H new ATOM 0 HA VAL A 32 0.867 -1.385 1.960 1.00 0.00 H new ATOM 0 HB VAL A 32 -1.301 -0.954 1.639 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -1.731 1.471 1.447 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -0.335 1.121 2.494 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.078 1.708 0.833 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -2.311 -0.041 -0.421 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.690 0.112 -1.139 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -1.340 -1.497 -0.743 1.00 0.00 H new ATOM 418 N GLU A 33 1.159 -1.563 -1.301 1.00 0.00 N ATOM 419 CA GLU A 33 1.386 -2.482 -2.403 1.00 0.00 C ATOM 420 C GLU A 33 2.583 -3.385 -2.103 1.00 0.00 C ATOM 421 O GLU A 33 2.548 -4.583 -2.383 1.00 0.00 O ATOM 422 CB GLU A 33 1.586 -1.724 -3.717 1.00 0.00 C ATOM 423 CG GLU A 33 0.343 -0.907 -4.073 1.00 0.00 C ATOM 424 CD GLU A 33 -0.191 -1.294 -5.454 1.00 0.00 C ATOM 425 OE1 GLU A 33 0.634 -1.326 -6.393 1.00 0.00 O ATOM 426 OE2 GLU A 33 -1.411 -1.550 -5.540 1.00 0.00 O ATOM 0 H GLU A 33 1.175 -0.576 -1.559 1.00 0.00 H new ATOM 0 HA GLU A 33 0.502 -3.110 -2.515 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.448 -1.063 -3.632 1.00 0.00 H new ATOM 0 HB3 GLU A 33 1.804 -2.430 -4.519 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -0.430 -1.069 -3.322 1.00 0.00 H new ATOM 0 HG3 GLU A 33 0.585 0.156 -4.058 1.00 0.00 H new ATOM 433 N ALA A 34 3.616 -2.777 -1.538 1.00 0.00 N ATOM 434 CA ALA A 34 4.822 -3.512 -1.197 1.00 0.00 C ATOM 435 C ALA A 34 4.501 -4.533 -0.104 1.00 0.00 C ATOM 436 O ALA A 34 4.990 -5.661 -0.140 1.00 0.00 O ATOM 437 CB ALA A 34 5.916 -2.530 -0.774 1.00 0.00 C ATOM 0 H ALA A 34 3.642 -1.784 -1.308 1.00 0.00 H new ATOM 0 HA ALA A 34 5.193 -4.061 -2.062 1.00 0.00 H new ATOM 0 HB1 ALA A 34 6.821 -3.081 -0.518 1.00 0.00 H new ATOM 0 HB2 ALA A 34 6.128 -1.846 -1.595 1.00 0.00 H new ATOM 0 HB3 ALA A 34 5.580 -1.962 0.094 1.00 0.00 H new ATOM 443 N ILE A 35 3.680 -4.101 0.843 1.00 0.00 N ATOM 444 CA ILE A 35 3.288 -4.963 1.944 1.00 0.00 C ATOM 445 C ILE A 35 2.263 -5.985 1.446 1.00 0.00 C ATOM 446 O ILE A 35 2.129 -7.064 2.020 1.00 0.00 O ATOM 447 CB ILE A 35 2.798 -4.129 3.129 1.00 0.00 C ATOM 448 CG1 ILE A 35 3.845 -3.090 3.539 1.00 0.00 C ATOM 449 CG2 ILE A 35 2.392 -5.026 4.301 1.00 0.00 C ATOM 450 CD1 ILE A 35 3.195 -1.920 4.279 1.00 0.00 C ATOM 0 H ILE A 35 3.276 -3.165 0.870 1.00 0.00 H new ATOM 0 HA ILE A 35 4.146 -5.525 2.312 1.00 0.00 H new ATOM 0 HB ILE A 35 1.907 -3.584 2.817 1.00 0.00 H new ATOM 0 HG12 ILE A 35 4.595 -3.557 4.177 1.00 0.00 H new ATOM 0 HG13 ILE A 35 4.364 -2.722 2.654 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.048 -4.408 5.130 1.00 0.00 H new ATOM 0 HG22 ILE A 35 1.589 -5.693 3.988 1.00 0.00 H new ATOM 0 HG23 ILE A 35 3.250 -5.617 4.621 1.00 0.00 H new ATOM 0 HD11 ILE A 35 3.960 -1.196 4.559 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.463 -1.441 3.630 1.00 0.00 H new ATOM 0 HD13 ILE A 35 2.698 -2.288 5.177 1.00 0.00 H new ATOM 462 N LEU A 36 1.567 -5.607 0.384 1.00 0.00 N ATOM 463 CA LEU A 36 0.559 -6.477 -0.197 1.00 0.00 C ATOM 464 C LEU A 36 1.201 -7.340 -1.286 1.00 0.00 C ATOM 465 O LEU A 36 0.589 -8.288 -1.774 1.00 0.00 O ATOM 466 CB LEU A 36 -0.637 -5.658 -0.688 1.00 0.00 C ATOM 467 CG LEU A 36 -1.449 -4.942 0.394 1.00 0.00 C ATOM 468 CD1 LEU A 36 -2.268 -3.797 -0.204 1.00 0.00 C ATOM 469 CD2 LEU A 36 -2.324 -5.931 1.167 1.00 0.00 C ATOM 0 H LEU A 36 1.681 -4.711 -0.089 1.00 0.00 H new ATOM 0 HA LEU A 36 0.163 -7.157 0.557 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -0.275 -4.912 -1.396 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.306 -6.321 -1.237 1.00 0.00 H new ATOM 0 HG LEU A 36 -0.754 -4.501 1.108 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -2.836 -3.305 0.586 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.598 -3.076 -0.672 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -2.955 -4.193 -0.952 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.890 -5.397 1.930 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.014 -6.421 0.480 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -1.692 -6.681 1.643 1.00 0.00 H new ATOM 481 N GLU A 37 2.428 -6.979 -1.634 1.00 0.00 N ATOM 482 CA GLU A 37 3.160 -7.708 -2.655 1.00 0.00 C ATOM 483 C GLU A 37 3.521 -9.108 -2.153 1.00 0.00 C ATOM 484 O GLU A 37 3.550 -10.061 -2.930 1.00 0.00 O ATOM 485 CB GLU A 37 4.412 -6.941 -3.086 1.00 0.00 C ATOM 486 CG GLU A 37 5.614 -7.323 -2.220 1.00 0.00 C ATOM 487 CD GLU A 37 6.327 -8.554 -2.785 1.00 0.00 C ATOM 488 OE1 GLU A 37 7.111 -8.366 -3.740 1.00 0.00 O ATOM 489 OE2 GLU A 37 6.072 -9.653 -2.248 1.00 0.00 O ATOM 0 H GLU A 37 2.933 -6.192 -1.227 1.00 0.00 H new ATOM 0 HA GLU A 37 2.518 -7.811 -3.530 1.00 0.00 H new ATOM 0 HB2 GLU A 37 4.631 -7.154 -4.132 1.00 0.00 H new ATOM 0 HB3 GLU A 37 4.230 -5.869 -3.010 1.00 0.00 H new ATOM 0 HG2 GLU A 37 6.311 -6.486 -2.169 1.00 0.00 H new ATOM 0 HG3 GLU A 37 5.283 -7.525 -1.201 1.00 0.00 H new ATOM 496 N LYS A 38 3.786 -9.187 -0.857 1.00 0.00 N ATOM 497 CA LYS A 38 4.144 -10.454 -0.242 1.00 0.00 C ATOM 498 C LYS A 38 2.896 -11.332 -0.132 1.00 0.00 C ATOM 499 O LYS A 38 2.863 -12.440 -0.664 1.00 0.00 O ATOM 500 CB LYS A 38 4.852 -10.220 1.093 1.00 0.00 C ATOM 501 CG LYS A 38 6.042 -9.273 0.925 1.00 0.00 C ATOM 502 CD LYS A 38 5.835 -7.985 1.724 1.00 0.00 C ATOM 503 CE LYS A 38 6.702 -7.977 2.985 1.00 0.00 C ATOM 504 NZ LYS A 38 6.081 -7.140 4.036 1.00 0.00 N ATOM 0 H LYS A 38 3.760 -8.394 -0.216 1.00 0.00 H new ATOM 0 HA LYS A 38 4.859 -10.992 -0.865 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.149 -9.802 1.813 1.00 0.00 H new ATOM 0 HB3 LYS A 38 5.195 -11.172 1.498 1.00 0.00 H new ATOM 0 HG2 LYS A 38 6.955 -9.768 1.256 1.00 0.00 H new ATOM 0 HG3 LYS A 38 6.174 -9.033 -0.130 1.00 0.00 H new ATOM 0 HD2 LYS A 38 6.082 -7.124 1.103 1.00 0.00 H new ATOM 0 HD3 LYS A 38 4.785 -7.889 2.000 1.00 0.00 H new ATOM 0 HE2 LYS A 38 6.830 -8.995 3.352 1.00 0.00 H new ATOM 0 HE3 LYS A 38 7.695 -7.596 2.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 6.608 -7.253 4.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 6.104 -6.142 3.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 5.094 -7.436 4.178 1.00 0.00 H new ATOM 518 N VAL A 39 1.899 -10.803 0.563 1.00 0.00 N ATOM 519 CA VAL A 39 0.652 -11.525 0.751 1.00 0.00 C ATOM 520 C VAL A 39 0.257 -12.202 -0.563 1.00 0.00 C ATOM 521 O VAL A 39 -0.032 -13.398 -0.587 1.00 0.00 O ATOM 522 CB VAL A 39 -0.426 -10.579 1.284 1.00 0.00 C ATOM 523 CG1 VAL A 39 -0.512 -9.311 0.431 1.00 0.00 C ATOM 524 CG2 VAL A 39 -1.783 -11.281 1.361 1.00 0.00 C ATOM 0 H VAL A 39 1.930 -9.883 1.003 1.00 0.00 H new ATOM 0 HA VAL A 39 0.774 -12.310 1.498 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.144 -10.285 2.295 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.286 -8.655 0.831 1.00 0.00 H new ATOM 0 HG12 VAL A 39 0.447 -8.794 0.450 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -0.759 -9.579 -0.596 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.531 -10.586 1.743 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.075 -11.618 0.366 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -1.711 -12.140 2.029 1.00 0.00 H new ATOM 534 N GLN A 40 0.257 -11.408 -1.624 1.00 0.00 N ATOM 535 CA GLN A 40 -0.098 -11.916 -2.938 1.00 0.00 C ATOM 536 C GLN A 40 0.473 -13.321 -3.136 1.00 0.00 C ATOM 537 O GLN A 40 -0.239 -14.231 -3.560 1.00 0.00 O ATOM 538 CB GLN A 40 0.382 -10.969 -4.040 1.00 0.00 C ATOM 539 CG GLN A 40 -0.394 -9.651 -4.006 1.00 0.00 C ATOM 540 CD GLN A 40 -1.311 -9.524 -5.224 1.00 0.00 C ATOM 541 OE1 GLN A 40 -2.047 -8.416 -5.235 1.00 0.00 O flip ATOM 542 NE2 GLN A 40 -1.349 -10.376 -6.097 1.00 0.00 N flip ATOM 0 H GLN A 40 0.497 -10.417 -1.600 1.00 0.00 H new ATOM 0 HA GLN A 40 -1.185 -11.974 -3.002 1.00 0.00 H new ATOM 0 HB2 GLN A 40 1.447 -10.772 -3.917 1.00 0.00 H new ATOM 0 HB3 GLN A 40 0.257 -11.444 -5.013 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -0.987 -9.597 -3.093 1.00 0.00 H new ATOM 0 HG3 GLN A 40 0.304 -8.814 -3.983 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -0.757 -11.204 -6.028 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -1.973 -10.260 -6.896 1.00 0.00 H new ATOM 551 N GLY A 41 1.753 -13.456 -2.820 1.00 0.00 N ATOM 552 CA GLY A 41 2.428 -14.735 -2.958 1.00 0.00 C ATOM 553 C GLY A 41 1.790 -15.792 -2.054 1.00 0.00 C ATOM 554 O GLY A 41 1.623 -16.941 -2.458 1.00 0.00 O ATOM 0 H GLY A 41 2.340 -12.700 -2.469 1.00 0.00 H new ATOM 0 HA2 GLY A 41 2.383 -15.064 -3.996 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.482 -14.623 -2.705 1.00 0.00 H new ATOM 558 N LEU A 42 1.450 -15.364 -0.847 1.00 0.00 N ATOM 559 CA LEU A 42 0.835 -16.259 0.118 1.00 0.00 C ATOM 560 C LEU A 42 -0.629 -16.486 -0.265 1.00 0.00 C ATOM 561 O LEU A 42 -1.237 -17.473 0.148 1.00 0.00 O ATOM 562 CB LEU A 42 1.022 -15.725 1.540 1.00 0.00 C ATOM 563 CG LEU A 42 2.396 -15.130 1.857 1.00 0.00 C ATOM 564 CD1 LEU A 42 2.269 -13.930 2.797 1.00 0.00 C ATOM 565 CD2 LEU A 42 3.341 -16.196 2.413 1.00 0.00 C ATOM 0 H LEU A 42 1.589 -14.409 -0.516 1.00 0.00 H new ATOM 0 HA LEU A 42 1.325 -17.232 0.101 1.00 0.00 H new ATOM 0 HB2 LEU A 42 0.266 -14.961 1.722 1.00 0.00 H new ATOM 0 HB3 LEU A 42 0.829 -16.538 2.240 1.00 0.00 H new ATOM 0 HG LEU A 42 2.834 -14.767 0.927 1.00 0.00 H new ATOM 0 HD11 LEU A 42 3.259 -13.526 3.007 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.656 -13.162 2.326 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.801 -14.246 3.729 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.310 -15.746 2.630 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.921 -16.612 3.329 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.466 -16.991 1.677 1.00 0.00 H new ATOM 577 N GLU A 43 -1.153 -15.556 -1.050 1.00 0.00 N ATOM 578 CA GLU A 43 -2.534 -15.643 -1.493 1.00 0.00 C ATOM 579 C GLU A 43 -2.680 -16.721 -2.570 1.00 0.00 C ATOM 580 O GLU A 43 -3.590 -17.545 -2.509 1.00 0.00 O ATOM 581 CB GLU A 43 -3.032 -14.289 -2.002 1.00 0.00 C ATOM 582 CG GLU A 43 -4.293 -14.453 -2.854 1.00 0.00 C ATOM 583 CD GLU A 43 -4.750 -13.108 -3.422 1.00 0.00 C ATOM 584 OE1 GLU A 43 -3.872 -12.234 -3.587 1.00 0.00 O ATOM 585 OE2 GLU A 43 -5.968 -12.984 -3.677 1.00 0.00 O ATOM 0 H GLU A 43 -0.646 -14.739 -1.390 1.00 0.00 H new ATOM 0 HA GLU A 43 -3.152 -15.924 -0.640 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -3.243 -13.634 -1.157 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -2.251 -13.808 -2.591 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -4.097 -15.149 -3.670 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -5.090 -14.887 -2.250 1.00 0.00 H new ATOM 592 N GLN A 44 -1.768 -16.679 -3.530 1.00 0.00 N ATOM 593 CA GLN A 44 -1.783 -17.642 -4.618 1.00 0.00 C ATOM 594 C GLN A 44 -1.710 -19.067 -4.067 1.00 0.00 C ATOM 595 O GLN A 44 -2.235 -19.999 -4.674 1.00 0.00 O ATOM 596 CB GLN A 44 -0.642 -17.376 -5.602 1.00 0.00 C ATOM 597 CG GLN A 44 -0.761 -15.979 -6.214 1.00 0.00 C ATOM 598 CD GLN A 44 -0.663 -16.039 -7.740 1.00 0.00 C ATOM 599 OE1 GLN A 44 0.380 -16.314 -8.310 1.00 0.00 O ATOM 600 NE2 GLN A 44 -1.804 -15.766 -8.367 1.00 0.00 N ATOM 0 H GLN A 44 -1.014 -15.994 -3.577 1.00 0.00 H new ATOM 0 HA GLN A 44 -2.721 -17.531 -5.162 1.00 0.00 H new ATOM 0 HB2 GLN A 44 0.315 -17.472 -5.089 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -0.657 -18.126 -6.393 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -1.711 -15.531 -5.924 1.00 0.00 H new ATOM 0 HG3 GLN A 44 0.027 -15.337 -5.820 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -2.641 -15.543 -7.829 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -1.842 -15.779 -9.386 1.00 0.00 H new ATOM 609 N ALA A 45 -1.055 -19.192 -2.922 1.00 0.00 N ATOM 610 CA ALA A 45 -0.907 -20.488 -2.282 1.00 0.00 C ATOM 611 C ALA A 45 -2.265 -20.946 -1.747 1.00 0.00 C ATOM 612 O ALA A 45 -2.579 -22.135 -1.776 1.00 0.00 O ATOM 613 CB ALA A 45 0.152 -20.396 -1.182 1.00 0.00 C ATOM 0 H ALA A 45 -0.621 -18.417 -2.421 1.00 0.00 H new ATOM 0 HA ALA A 45 -0.567 -21.234 -3.000 1.00 0.00 H new ATOM 0 HB1 ALA A 45 0.263 -21.368 -0.702 1.00 0.00 H new ATOM 0 HB2 ALA A 45 1.105 -20.096 -1.618 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -0.156 -19.658 -0.441 1.00 0.00 H new ATOM 619 N VAL A 46 -3.034 -19.979 -1.271 1.00 0.00 N ATOM 620 CA VAL A 46 -4.352 -20.268 -0.730 1.00 0.00 C ATOM 621 C VAL A 46 -5.234 -20.854 -1.834 1.00 0.00 C ATOM 622 O VAL A 46 -5.606 -22.025 -1.779 1.00 0.00 O ATOM 623 CB VAL A 46 -4.945 -19.008 -0.096 1.00 0.00 C ATOM 624 CG1 VAL A 46 -6.474 -19.067 -0.086 1.00 0.00 C ATOM 625 CG2 VAL A 46 -4.396 -18.793 1.316 1.00 0.00 C ATOM 0 H VAL A 46 -2.770 -18.994 -1.248 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.285 -21.013 0.062 1.00 0.00 H new ATOM 0 HB VAL A 46 -4.646 -18.155 -0.705 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -6.870 -18.160 0.370 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -6.842 -19.150 -1.109 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -6.801 -19.934 0.488 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -4.834 -17.891 1.743 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -4.650 -19.650 1.940 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -3.312 -18.685 1.272 1.00 0.00 H new ATOM 635 N ASP A 47 -5.543 -20.014 -2.810 1.00 0.00 N ATOM 636 CA ASP A 47 -6.374 -20.434 -3.925 1.00 0.00 C ATOM 637 C ASP A 47 -5.984 -21.854 -4.339 1.00 0.00 C ATOM 638 O ASP A 47 -6.820 -22.615 -4.824 1.00 0.00 O ATOM 639 CB ASP A 47 -6.178 -19.518 -5.134 1.00 0.00 C ATOM 640 CG ASP A 47 -7.348 -19.489 -6.120 1.00 0.00 C ATOM 641 OD1 ASP A 47 -8.305 -20.259 -5.888 1.00 0.00 O ATOM 642 OD2 ASP A 47 -7.259 -18.696 -7.083 1.00 0.00 O ATOM 0 H ASP A 47 -5.232 -19.043 -2.852 1.00 0.00 H new ATOM 0 HA ASP A 47 -7.415 -20.390 -3.605 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -5.998 -18.504 -4.777 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -5.281 -19.832 -5.667 1.00 0.00 H new ATOM 647 N SER A 48 -4.713 -22.169 -4.133 1.00 0.00 N ATOM 648 CA SER A 48 -4.202 -23.484 -4.479 1.00 0.00 C ATOM 649 C SER A 48 -3.487 -24.101 -3.275 1.00 0.00 C ATOM 650 O SER A 48 -2.380 -24.621 -3.406 1.00 0.00 O ATOM 651 CB SER A 48 -3.255 -23.409 -5.678 1.00 0.00 C ATOM 652 OG SER A 48 -3.597 -24.353 -6.689 1.00 0.00 O ATOM 0 H SER A 48 -4.022 -21.535 -3.731 1.00 0.00 H new ATOM 0 HA SER A 48 -5.045 -24.117 -4.756 1.00 0.00 H new ATOM 0 HB2 SER A 48 -3.281 -22.403 -6.098 1.00 0.00 H new ATOM 0 HB3 SER A 48 -2.233 -23.589 -5.345 1.00 0.00 H new ATOM 0 HG SER A 48 -2.970 -24.272 -7.438 1.00 0.00 H new ATOM 658 N PHE A 49 -4.149 -24.022 -2.130 1.00 0.00 N ATOM 659 CA PHE A 49 -3.590 -24.567 -0.904 1.00 0.00 C ATOM 660 C PHE A 49 -4.193 -25.937 -0.588 1.00 0.00 C ATOM 661 O PHE A 49 -5.131 -26.375 -1.252 1.00 0.00 O ATOM 662 CB PHE A 49 -3.949 -23.594 0.221 1.00 0.00 C ATOM 663 CG PHE A 49 -3.942 -24.225 1.615 1.00 0.00 C ATOM 664 CD1 PHE A 49 -5.050 -24.863 2.078 1.00 0.00 C ATOM 665 CD2 PHE A 49 -2.828 -24.147 2.392 1.00 0.00 C ATOM 666 CE1 PHE A 49 -5.044 -25.448 3.372 1.00 0.00 C ATOM 667 CE2 PHE A 49 -2.822 -24.732 3.685 1.00 0.00 C ATOM 668 CZ PHE A 49 -3.930 -25.371 4.148 1.00 0.00 C ATOM 0 H PHE A 49 -5.067 -23.589 -2.025 1.00 0.00 H new ATOM 0 HA PHE A 49 -2.512 -24.690 -1.009 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -3.245 -22.762 0.206 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -4.938 -23.178 0.026 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -5.935 -24.925 1.462 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -1.948 -23.640 2.025 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -5.924 -25.954 3.740 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -1.937 -24.670 4.302 1.00 0.00 H new ATOM 0 HZ PHE A 49 -3.925 -25.817 5.132 1.00 0.00 H new ATOM 678 N GLU A 50 -3.628 -26.576 0.426 1.00 0.00 N ATOM 679 CA GLU A 50 -4.098 -27.888 0.838 1.00 0.00 C ATOM 680 C GLU A 50 -3.298 -28.384 2.045 1.00 0.00 C ATOM 681 O GLU A 50 -2.069 -28.323 2.047 1.00 0.00 O ATOM 682 CB GLU A 50 -4.021 -28.887 -0.319 1.00 0.00 C ATOM 683 CG GLU A 50 -2.572 -29.291 -0.598 1.00 0.00 C ATOM 684 CD GLU A 50 -2.496 -30.299 -1.746 1.00 0.00 C ATOM 685 OE1 GLU A 50 -2.768 -29.878 -2.891 1.00 0.00 O ATOM 686 OE2 GLU A 50 -2.167 -31.469 -1.453 1.00 0.00 O ATOM 0 H GLU A 50 -2.850 -26.210 0.974 1.00 0.00 H new ATOM 0 HA GLU A 50 -5.144 -27.802 1.131 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -4.610 -29.773 -0.079 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.458 -28.446 -1.215 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -1.985 -28.407 -0.846 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -2.132 -29.724 0.300 1.00 0.00 H new ATOM 693 N GLY A 51 -4.027 -28.863 3.041 1.00 0.00 N ATOM 694 CA GLY A 51 -3.401 -29.369 4.251 1.00 0.00 C ATOM 695 C GLY A 51 -4.339 -29.234 5.452 1.00 0.00 C ATOM 696 O GLY A 51 -4.157 -29.907 6.465 1.00 0.00 O ATOM 0 H GLY A 51 -5.046 -28.912 3.036 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -3.129 -30.416 4.114 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.478 -28.822 4.443 1.00 0.00 H new ATOM 700 N LYS A 52 -5.322 -28.358 5.299 1.00 0.00 N ATOM 701 CA LYS A 52 -6.289 -28.126 6.358 1.00 0.00 C ATOM 702 C LYS A 52 -5.732 -27.087 7.333 1.00 0.00 C ATOM 703 O LYS A 52 -4.677 -26.503 7.087 1.00 0.00 O ATOM 704 CB LYS A 52 -6.681 -29.447 7.025 1.00 0.00 C ATOM 705 CG LYS A 52 -6.904 -30.543 5.981 1.00 0.00 C ATOM 706 CD LYS A 52 -7.780 -30.037 4.833 1.00 0.00 C ATOM 707 CE LYS A 52 -9.227 -29.846 5.292 1.00 0.00 C ATOM 708 NZ LYS A 52 -10.158 -30.536 4.371 1.00 0.00 N ATOM 0 H LYS A 52 -5.469 -27.801 4.457 1.00 0.00 H new ATOM 0 HA LYS A 52 -7.212 -27.716 5.948 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -5.899 -29.754 7.719 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -7.590 -29.307 7.611 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -5.943 -30.878 5.590 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -7.376 -31.406 6.450 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -7.386 -29.092 4.459 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -7.747 -30.746 4.006 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -9.349 -30.237 6.302 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -9.465 -28.783 5.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -11.133 -30.425 4.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -10.077 -30.121 3.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -9.919 -31.547 4.329 1.00 0.00 H new ATOM 722 N LYS A 53 -6.464 -26.888 8.419 1.00 0.00 N ATOM 723 CA LYS A 53 -6.056 -25.930 9.432 1.00 0.00 C ATOM 724 C LYS A 53 -5.048 -26.589 10.375 1.00 0.00 C ATOM 725 O LYS A 53 -4.657 -26.000 11.382 1.00 0.00 O ATOM 726 CB LYS A 53 -7.279 -25.351 10.146 1.00 0.00 C ATOM 727 CG LYS A 53 -8.230 -24.683 9.151 1.00 0.00 C ATOM 728 CD LYS A 53 -9.379 -23.980 9.877 1.00 0.00 C ATOM 729 CE LYS A 53 -10.513 -23.640 8.908 1.00 0.00 C ATOM 730 NZ LYS A 53 -11.565 -22.857 9.595 1.00 0.00 N ATOM 0 H LYS A 53 -7.338 -27.374 8.620 1.00 0.00 H new ATOM 0 HA LYS A 53 -5.553 -25.080 8.971 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -7.803 -26.145 10.679 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -6.958 -24.624 10.892 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -7.681 -23.961 8.547 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -8.631 -25.431 8.467 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -9.757 -24.621 10.674 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -9.012 -23.068 10.348 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -10.121 -23.072 8.065 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -10.940 -24.557 8.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -12.392 -22.765 8.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -11.844 -23.344 10.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -11.199 -21.911 9.826 1.00 0.00 H new ATOM 744 N THR A 54 -4.656 -27.803 10.016 1.00 0.00 N ATOM 745 CA THR A 54 -3.701 -28.548 10.818 1.00 0.00 C ATOM 746 C THR A 54 -2.320 -28.527 10.160 1.00 0.00 C ATOM 747 O THR A 54 -1.302 -28.642 10.841 1.00 0.00 O ATOM 748 CB THR A 54 -4.255 -29.960 11.022 1.00 0.00 C ATOM 749 OG1 THR A 54 -4.355 -30.093 12.437 1.00 0.00 O ATOM 750 CG2 THR A 54 -3.256 -31.045 10.615 1.00 0.00 C ATOM 0 H THR A 54 -4.983 -28.289 9.181 1.00 0.00 H new ATOM 0 HA THR A 54 -3.566 -28.091 11.798 1.00 0.00 H new ATOM 0 HB THR A 54 -5.173 -30.077 10.445 1.00 0.00 H new ATOM 0 HG1 THR A 54 -4.708 -30.980 12.658 1.00 0.00 H new ATOM 0 HG21 THR A 54 -3.699 -32.027 10.780 1.00 0.00 H new ATOM 0 HG22 THR A 54 -3.006 -30.932 9.560 1.00 0.00 H new ATOM 0 HG23 THR A 54 -2.351 -30.950 11.215 1.00 0.00 H new ATOM 758 N ASP A 55 -2.329 -28.379 8.843 1.00 0.00 N ATOM 759 CA ASP A 55 -1.090 -28.341 8.086 1.00 0.00 C ATOM 760 C ASP A 55 -0.295 -27.095 8.479 1.00 0.00 C ATOM 761 O ASP A 55 -0.858 -26.008 8.602 1.00 0.00 O ATOM 762 CB ASP A 55 -1.366 -28.271 6.582 1.00 0.00 C ATOM 763 CG ASP A 55 -0.166 -28.593 5.689 1.00 0.00 C ATOM 764 OD1 ASP A 55 0.593 -29.512 6.068 1.00 0.00 O ATOM 765 OD2 ASP A 55 -0.035 -27.915 4.648 1.00 0.00 O ATOM 0 H ASP A 55 -3.175 -28.284 8.281 1.00 0.00 H new ATOM 0 HA ASP A 55 -0.531 -29.250 8.309 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -2.174 -28.963 6.343 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -1.722 -27.270 6.339 1.00 0.00 H new ATOM 770 N LYS A 56 1.002 -27.294 8.667 1.00 0.00 N ATOM 771 CA LYS A 56 1.880 -26.200 9.044 1.00 0.00 C ATOM 772 C LYS A 56 1.779 -25.087 7.999 1.00 0.00 C ATOM 773 O LYS A 56 2.167 -23.949 8.260 1.00 0.00 O ATOM 774 CB LYS A 56 3.306 -26.709 9.264 1.00 0.00 C ATOM 775 CG LYS A 56 4.288 -25.544 9.408 1.00 0.00 C ATOM 776 CD LYS A 56 4.017 -24.754 10.690 1.00 0.00 C ATOM 777 CE LYS A 56 4.889 -25.260 11.840 1.00 0.00 C ATOM 778 NZ LYS A 56 4.105 -25.328 13.094 1.00 0.00 N ATOM 0 H LYS A 56 1.465 -28.197 8.565 1.00 0.00 H new ATOM 0 HA LYS A 56 1.568 -25.772 9.997 1.00 0.00 H new ATOM 0 HB2 LYS A 56 3.340 -27.331 10.159 1.00 0.00 H new ATOM 0 HB3 LYS A 56 3.604 -27.339 8.426 1.00 0.00 H new ATOM 0 HG2 LYS A 56 5.310 -25.924 9.420 1.00 0.00 H new ATOM 0 HG3 LYS A 56 4.204 -24.884 8.545 1.00 0.00 H new ATOM 0 HD2 LYS A 56 4.214 -23.696 10.518 1.00 0.00 H new ATOM 0 HD3 LYS A 56 2.965 -24.843 10.960 1.00 0.00 H new ATOM 0 HE2 LYS A 56 5.285 -26.246 11.598 1.00 0.00 H new ATOM 0 HE3 LYS A 56 5.744 -24.598 11.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 4.712 -25.673 13.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 3.748 -24.381 13.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 3.303 -25.978 12.967 1.00 0.00 H new ATOM 792 N LYS A 57 1.255 -25.454 6.839 1.00 0.00 N ATOM 793 CA LYS A 57 1.098 -24.500 5.754 1.00 0.00 C ATOM 794 C LYS A 57 0.068 -23.442 6.156 1.00 0.00 C ATOM 795 O LYS A 57 0.366 -22.248 6.152 1.00 0.00 O ATOM 796 CB LYS A 57 0.758 -25.224 4.449 1.00 0.00 C ATOM 797 CG LYS A 57 0.752 -24.252 3.268 1.00 0.00 C ATOM 798 CD LYS A 57 0.658 -25.004 1.939 1.00 0.00 C ATOM 799 CE LYS A 57 1.971 -24.906 1.160 1.00 0.00 C ATOM 800 NZ LYS A 57 2.435 -26.252 0.754 1.00 0.00 N ATOM 0 H LYS A 57 0.934 -26.399 6.627 1.00 0.00 H new ATOM 0 HA LYS A 57 2.036 -23.978 5.567 1.00 0.00 H new ATOM 0 HB2 LYS A 57 1.484 -26.016 4.269 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -0.218 -25.701 4.537 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.090 -23.566 3.362 1.00 0.00 H new ATOM 0 HG3 LYS A 57 1.659 -23.648 3.285 1.00 0.00 H new ATOM 0 HD2 LYS A 57 0.419 -26.051 2.126 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -0.155 -24.593 1.341 1.00 0.00 H new ATOM 0 HE2 LYS A 57 1.831 -24.282 0.278 1.00 0.00 H new ATOM 0 HE3 LYS A 57 2.730 -24.423 1.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 3.327 -26.167 0.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 2.588 -26.837 1.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 1.717 -26.699 0.149 1.00 0.00 H new ATOM 814 N TYR A 58 -1.121 -23.917 6.493 1.00 0.00 N ATOM 815 CA TYR A 58 -2.196 -23.027 6.896 1.00 0.00 C ATOM 816 C TYR A 58 -1.733 -22.073 7.999 1.00 0.00 C ATOM 817 O TYR A 58 -1.983 -20.870 7.930 1.00 0.00 O ATOM 818 CB TYR A 58 -3.304 -23.926 7.449 1.00 0.00 C ATOM 819 CG TYR A 58 -4.495 -23.161 8.029 1.00 0.00 C ATOM 820 CD1 TYR A 58 -5.446 -22.623 7.186 1.00 0.00 C ATOM 821 CD2 TYR A 58 -4.618 -23.009 9.395 1.00 0.00 C ATOM 822 CE1 TYR A 58 -6.568 -21.903 7.732 1.00 0.00 C ATOM 823 CE2 TYR A 58 -5.739 -22.289 9.941 1.00 0.00 C ATOM 824 CZ TYR A 58 -6.659 -21.772 9.083 1.00 0.00 C ATOM 825 OH TYR A 58 -7.718 -21.092 9.598 1.00 0.00 O ATOM 0 H TYR A 58 -1.364 -24.908 6.495 1.00 0.00 H new ATOM 0 HA TYR A 58 -2.530 -22.423 6.053 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -3.659 -24.580 6.652 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -2.885 -24.567 8.225 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -5.349 -22.742 6.117 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -3.874 -23.430 10.054 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -7.320 -21.477 7.084 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -5.847 -22.162 11.008 1.00 0.00 H new ATOM 0 HH TYR A 58 -7.654 -21.078 10.576 1.00 0.00 H new ATOM 835 N LEU A 59 -1.065 -22.645 8.990 1.00 0.00 N ATOM 836 CA LEU A 59 -0.564 -21.860 10.106 1.00 0.00 C ATOM 837 C LEU A 59 0.337 -20.743 9.575 1.00 0.00 C ATOM 838 O LEU A 59 0.162 -19.578 9.929 1.00 0.00 O ATOM 839 CB LEU A 59 0.119 -22.765 11.133 1.00 0.00 C ATOM 840 CG LEU A 59 -0.810 -23.637 11.981 1.00 0.00 C ATOM 841 CD1 LEU A 59 -1.467 -24.726 11.131 1.00 0.00 C ATOM 842 CD2 LEU A 59 -0.067 -24.220 13.185 1.00 0.00 C ATOM 0 H LEU A 59 -0.859 -23.643 9.044 1.00 0.00 H new ATOM 0 HA LEU A 59 -1.388 -21.381 10.635 1.00 0.00 H new ATOM 0 HB2 LEU A 59 0.817 -23.417 10.607 1.00 0.00 H new ATOM 0 HB3 LEU A 59 0.710 -22.140 11.803 1.00 0.00 H new ATOM 0 HG LEU A 59 -1.609 -23.006 12.370 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.122 -25.331 11.758 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -2.052 -24.264 10.336 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -0.696 -25.360 10.693 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -0.750 -24.835 13.771 1.00 0.00 H new ATOM 0 HD22 LEU A 59 0.765 -24.832 12.837 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.313 -23.409 13.806 1.00 0.00 H new ATOM 854 N MET A 60 1.281 -21.138 8.733 1.00 0.00 N ATOM 855 CA MET A 60 2.209 -20.185 8.150 1.00 0.00 C ATOM 856 C MET A 60 1.469 -19.143 7.309 1.00 0.00 C ATOM 857 O MET A 60 1.526 -17.949 7.603 1.00 0.00 O ATOM 858 CB MET A 60 3.218 -20.927 7.271 1.00 0.00 C ATOM 859 CG MET A 60 4.584 -21.011 7.955 1.00 0.00 C ATOM 860 SD MET A 60 5.476 -22.440 7.364 1.00 0.00 S ATOM 861 CE MET A 60 4.934 -22.462 5.664 1.00 0.00 C ATOM 0 H MET A 60 1.423 -22.105 8.441 1.00 0.00 H new ATOM 0 HA MET A 60 2.727 -19.670 8.959 1.00 0.00 H new ATOM 0 HB2 MET A 60 2.851 -21.931 7.059 1.00 0.00 H new ATOM 0 HB3 MET A 60 3.317 -20.415 6.314 1.00 0.00 H new ATOM 0 HG2 MET A 60 5.157 -20.106 7.754 1.00 0.00 H new ATOM 0 HG3 MET A 60 4.456 -21.074 9.036 1.00 0.00 H new ATOM 0 HE1 MET A 60 5.606 -23.087 5.076 1.00 0.00 H new ATOM 0 HE2 MET A 60 3.923 -22.865 5.610 1.00 0.00 H new ATOM 0 HE3 MET A 60 4.942 -21.447 5.266 1.00 0.00 H new ATOM 871 N ILE A 61 0.793 -19.631 6.280 1.00 0.00 N ATOM 872 CA ILE A 61 0.042 -18.757 5.395 1.00 0.00 C ATOM 873 C ILE A 61 -0.758 -17.756 6.231 1.00 0.00 C ATOM 874 O ILE A 61 -0.679 -16.549 6.005 1.00 0.00 O ATOM 875 CB ILE A 61 -0.817 -19.578 4.432 1.00 0.00 C ATOM 876 CG1 ILE A 61 0.057 -20.370 3.456 1.00 0.00 C ATOM 877 CG2 ILE A 61 -1.828 -18.690 3.705 1.00 0.00 C ATOM 878 CD1 ILE A 61 -0.802 -21.161 2.469 1.00 0.00 C ATOM 0 H ILE A 61 0.749 -20.621 6.039 1.00 0.00 H new ATOM 0 HA ILE A 61 0.720 -18.179 4.767 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.386 -20.302 5.015 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.709 -19.688 2.911 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.701 -21.052 4.011 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -2.426 -19.299 3.027 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -2.482 -18.211 4.434 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.298 -17.926 3.136 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.156 -21.715 1.787 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -1.435 -21.859 3.016 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.427 -20.474 1.899 1.00 0.00 H new ATOM 890 N GLU A 62 -1.509 -18.294 7.181 1.00 0.00 N ATOM 891 CA GLU A 62 -2.322 -17.463 8.052 1.00 0.00 C ATOM 892 C GLU A 62 -1.539 -16.222 8.486 1.00 0.00 C ATOM 893 O GLU A 62 -1.822 -15.115 8.031 1.00 0.00 O ATOM 894 CB GLU A 62 -2.810 -18.255 9.267 1.00 0.00 C ATOM 895 CG GLU A 62 -3.969 -17.537 9.961 1.00 0.00 C ATOM 896 CD GLU A 62 -3.456 -16.410 10.860 1.00 0.00 C ATOM 897 OE1 GLU A 62 -2.674 -16.730 11.781 1.00 0.00 O ATOM 898 OE2 GLU A 62 -3.858 -15.254 10.606 1.00 0.00 O ATOM 0 H GLU A 62 -1.571 -19.295 7.366 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.200 -17.138 7.494 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -3.129 -19.249 8.953 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.989 -18.391 9.970 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -4.649 -17.129 9.213 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -4.540 -18.250 10.556 1.00 0.00 H new ATOM 905 N GLU A 63 -0.569 -16.449 9.360 1.00 0.00 N ATOM 906 CA GLU A 63 0.257 -15.363 9.859 1.00 0.00 C ATOM 907 C GLU A 63 0.878 -14.590 8.695 1.00 0.00 C ATOM 908 O GLU A 63 0.870 -13.360 8.687 1.00 0.00 O ATOM 909 CB GLU A 63 1.337 -15.888 10.808 1.00 0.00 C ATOM 910 CG GLU A 63 2.643 -16.155 10.057 1.00 0.00 C ATOM 911 CD GLU A 63 3.723 -16.680 11.005 1.00 0.00 C ATOM 912 OE1 GLU A 63 3.696 -16.263 12.183 1.00 0.00 O ATOM 913 OE2 GLU A 63 4.551 -17.487 10.530 1.00 0.00 O ATOM 0 H GLU A 63 -0.337 -17.369 9.735 1.00 0.00 H new ATOM 0 HA GLU A 63 -0.377 -14.680 10.425 1.00 0.00 H new ATOM 0 HB2 GLU A 63 1.512 -15.163 11.603 1.00 0.00 H new ATOM 0 HB3 GLU A 63 0.993 -16.806 11.284 1.00 0.00 H new ATOM 0 HG2 GLU A 63 2.468 -16.880 9.262 1.00 0.00 H new ATOM 0 HG3 GLU A 63 2.987 -15.237 9.581 1.00 0.00 H new ATOM 920 N TYR A 64 1.402 -15.343 7.739 1.00 0.00 N ATOM 921 CA TYR A 64 2.027 -14.743 6.572 1.00 0.00 C ATOM 922 C TYR A 64 1.110 -13.695 5.937 1.00 0.00 C ATOM 923 O TYR A 64 1.584 -12.695 5.399 1.00 0.00 O ATOM 924 CB TYR A 64 2.243 -15.885 5.576 1.00 0.00 C ATOM 925 CG TYR A 64 3.665 -16.447 5.574 1.00 0.00 C ATOM 926 CD1 TYR A 64 4.746 -15.592 5.650 1.00 0.00 C ATOM 927 CD2 TYR A 64 3.868 -17.810 5.495 1.00 0.00 C ATOM 928 CE1 TYR A 64 6.085 -16.122 5.648 1.00 0.00 C ATOM 929 CE2 TYR A 64 5.207 -18.340 5.493 1.00 0.00 C ATOM 930 CZ TYR A 64 6.249 -17.470 5.569 1.00 0.00 C ATOM 931 OH TYR A 64 7.514 -17.970 5.567 1.00 0.00 O ATOM 0 H TYR A 64 1.407 -16.363 7.748 1.00 0.00 H new ATOM 0 HA TYR A 64 2.957 -14.246 6.847 1.00 0.00 H new ATOM 0 HB2 TYR A 64 1.545 -16.690 5.805 1.00 0.00 H new ATOM 0 HB3 TYR A 64 2.002 -15.530 4.574 1.00 0.00 H new ATOM 0 HD1 TYR A 64 4.588 -14.525 5.711 1.00 0.00 H new ATOM 0 HD2 TYR A 64 3.022 -18.479 5.435 1.00 0.00 H new ATOM 0 HE1 TYR A 64 6.939 -15.464 5.708 1.00 0.00 H new ATOM 0 HE2 TYR A 64 5.380 -19.404 5.433 1.00 0.00 H new ATOM 0 HH TYR A 64 7.479 -18.948 5.507 1.00 0.00 H new ATOM 941 N LEU A 65 -0.185 -13.960 6.021 1.00 0.00 N ATOM 942 CA LEU A 65 -1.172 -13.052 5.461 1.00 0.00 C ATOM 943 C LEU A 65 -1.239 -11.787 6.319 1.00 0.00 C ATOM 944 O LEU A 65 -1.213 -10.675 5.794 1.00 0.00 O ATOM 945 CB LEU A 65 -2.520 -13.759 5.301 1.00 0.00 C ATOM 946 CG LEU A 65 -2.568 -14.886 4.268 1.00 0.00 C ATOM 947 CD1 LEU A 65 -3.589 -15.952 4.667 1.00 0.00 C ATOM 948 CD2 LEU A 65 -2.834 -14.333 2.866 1.00 0.00 C ATOM 0 H LEU A 65 -0.574 -14.790 6.468 1.00 0.00 H new ATOM 0 HA LEU A 65 -0.879 -12.742 4.458 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -2.811 -14.168 6.269 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -3.269 -13.014 5.032 1.00 0.00 H new ATOM 0 HG LEU A 65 -1.591 -15.369 4.244 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -3.603 -16.742 3.916 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -3.314 -16.375 5.633 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -4.578 -15.500 4.737 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.863 -15.155 2.150 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -3.790 -13.809 2.857 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -2.038 -13.641 2.591 1.00 0.00 H new ATOM 960 N THR A 66 -1.323 -11.999 7.624 1.00 0.00 N ATOM 961 CA THR A 66 -1.394 -10.889 8.559 1.00 0.00 C ATOM 962 C THR A 66 -0.128 -10.035 8.469 1.00 0.00 C ATOM 963 O THR A 66 -0.194 -8.810 8.557 1.00 0.00 O ATOM 964 CB THR A 66 -1.642 -11.463 9.956 1.00 0.00 C ATOM 965 OG1 THR A 66 -3.051 -11.674 9.999 1.00 0.00 O ATOM 966 CG2 THR A 66 -1.384 -10.439 11.063 1.00 0.00 C ATOM 0 H THR A 66 -1.343 -12.923 8.056 1.00 0.00 H new ATOM 0 HA THR A 66 -2.219 -10.219 8.316 1.00 0.00 H new ATOM 0 HB THR A 66 -1.004 -12.333 10.110 1.00 0.00 H new ATOM 0 HG1 THR A 66 -3.299 -12.047 10.871 1.00 0.00 H new ATOM 0 HG21 THR A 66 -1.574 -10.897 12.034 1.00 0.00 H new ATOM 0 HG22 THR A 66 -0.347 -10.106 11.016 1.00 0.00 H new ATOM 0 HG23 THR A 66 -2.046 -9.584 10.929 1.00 0.00 H new ATOM 974 N LYS A 67 0.996 -10.715 8.296 1.00 0.00 N ATOM 975 CA LYS A 67 2.275 -10.034 8.194 1.00 0.00 C ATOM 976 C LYS A 67 2.082 -8.704 7.463 1.00 0.00 C ATOM 977 O LYS A 67 2.625 -7.680 7.876 1.00 0.00 O ATOM 978 CB LYS A 67 3.318 -10.947 7.545 1.00 0.00 C ATOM 979 CG LYS A 67 4.338 -11.433 8.577 1.00 0.00 C ATOM 980 CD LYS A 67 4.580 -12.938 8.441 1.00 0.00 C ATOM 981 CE LYS A 67 5.637 -13.415 9.439 1.00 0.00 C ATOM 982 NZ LYS A 67 6.974 -13.440 8.805 1.00 0.00 N ATOM 0 H LYS A 67 1.047 -11.731 8.224 1.00 0.00 H new ATOM 0 HA LYS A 67 2.663 -9.800 9.186 1.00 0.00 H new ATOM 0 HB2 LYS A 67 2.823 -11.803 7.087 1.00 0.00 H new ATOM 0 HB3 LYS A 67 3.830 -10.410 6.747 1.00 0.00 H new ATOM 0 HG2 LYS A 67 5.278 -10.896 8.446 1.00 0.00 H new ATOM 0 HG3 LYS A 67 3.980 -11.208 9.582 1.00 0.00 H new ATOM 0 HD2 LYS A 67 3.647 -13.477 8.608 1.00 0.00 H new ATOM 0 HD3 LYS A 67 4.903 -13.168 7.426 1.00 0.00 H new ATOM 0 HE2 LYS A 67 5.651 -12.755 10.306 1.00 0.00 H new ATOM 0 HE3 LYS A 67 5.381 -14.411 9.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 7.680 -13.766 9.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 6.961 -14.088 7.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 7.223 -12.483 8.481 1.00 0.00 H new ATOM 996 N GLU A 68 1.308 -8.762 6.389 1.00 0.00 N ATOM 997 CA GLU A 68 1.037 -7.574 5.597 1.00 0.00 C ATOM 998 C GLU A 68 0.028 -6.676 6.315 1.00 0.00 C ATOM 999 O GLU A 68 0.223 -5.465 6.403 1.00 0.00 O ATOM 1000 CB GLU A 68 0.541 -7.949 4.199 1.00 0.00 C ATOM 1001 CG GLU A 68 1.388 -9.074 3.600 1.00 0.00 C ATOM 1002 CD GLU A 68 2.842 -8.972 4.064 1.00 0.00 C ATOM 1003 OE1 GLU A 68 3.466 -7.934 3.753 1.00 0.00 O ATOM 1004 OE2 GLU A 68 3.297 -9.934 4.720 1.00 0.00 O ATOM 0 H GLU A 68 0.860 -9.613 6.049 1.00 0.00 H new ATOM 0 HA GLU A 68 1.968 -7.019 5.480 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -0.502 -8.262 4.251 1.00 0.00 H new ATOM 0 HB3 GLU A 68 0.579 -7.075 3.549 1.00 0.00 H new ATOM 0 HG2 GLU A 68 0.976 -10.040 3.893 1.00 0.00 H new ATOM 0 HG3 GLU A 68 1.346 -9.026 2.512 1.00 0.00 H new ATOM 1011 N LEU A 69 -1.029 -7.304 6.809 1.00 0.00 N ATOM 1012 CA LEU A 69 -2.069 -6.577 7.516 1.00 0.00 C ATOM 1013 C LEU A 69 -1.446 -5.812 8.685 1.00 0.00 C ATOM 1014 O LEU A 69 -1.704 -4.623 8.862 1.00 0.00 O ATOM 1015 CB LEU A 69 -3.196 -7.524 7.932 1.00 0.00 C ATOM 1016 CG LEU A 69 -3.897 -8.272 6.796 1.00 0.00 C ATOM 1017 CD1 LEU A 69 -4.810 -9.371 7.345 1.00 0.00 C ATOM 1018 CD2 LEU A 69 -4.651 -7.303 5.884 1.00 0.00 C ATOM 0 H LEU A 69 -1.187 -8.309 6.733 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.530 -5.838 6.861 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.789 -8.258 8.627 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -3.944 -6.949 8.478 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.136 -8.760 6.187 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -5.296 -9.887 6.517 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.217 -10.083 7.919 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -5.568 -8.926 7.990 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.140 -7.861 5.085 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.402 -6.767 6.464 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.949 -6.590 5.451 1.00 0.00 H new ATOM 1030 N LEU A 70 -0.636 -6.526 9.453 1.00 0.00 N ATOM 1031 CA LEU A 70 0.026 -5.929 10.601 1.00 0.00 C ATOM 1032 C LEU A 70 0.932 -4.791 10.126 1.00 0.00 C ATOM 1033 O LEU A 70 0.946 -3.715 10.722 1.00 0.00 O ATOM 1034 CB LEU A 70 0.758 -6.999 11.413 1.00 0.00 C ATOM 1035 CG LEU A 70 2.238 -7.198 11.081 1.00 0.00 C ATOM 1036 CD1 LEU A 70 3.050 -5.948 11.426 1.00 0.00 C ATOM 1037 CD2 LEU A 70 2.791 -8.448 11.768 1.00 0.00 C ATOM 0 H LEU A 70 -0.423 -7.512 9.303 1.00 0.00 H new ATOM 0 HA LEU A 70 -0.707 -5.492 11.279 1.00 0.00 H new ATOM 0 HB2 LEU A 70 0.674 -6.745 12.470 1.00 0.00 H new ATOM 0 HB3 LEU A 70 0.243 -7.949 11.271 1.00 0.00 H new ATOM 0 HG LEU A 70 2.329 -7.355 10.006 1.00 0.00 H new ATOM 0 HD11 LEU A 70 4.099 -6.116 11.180 1.00 0.00 H new ATOM 0 HD12 LEU A 70 2.674 -5.100 10.853 1.00 0.00 H new ATOM 0 HD13 LEU A 70 2.956 -5.736 12.491 1.00 0.00 H new ATOM 0 HD21 LEU A 70 3.845 -8.566 11.515 1.00 0.00 H new ATOM 0 HD22 LEU A 70 2.686 -8.346 12.848 1.00 0.00 H new ATOM 0 HD23 LEU A 70 2.237 -9.324 11.431 1.00 0.00 H new ATOM 1049 N ALA A 71 1.666 -5.067 9.059 1.00 0.00 N ATOM 1050 CA ALA A 71 2.572 -4.080 8.497 1.00 0.00 C ATOM 1051 C ALA A 71 1.761 -2.996 7.785 1.00 0.00 C ATOM 1052 O ALA A 71 2.286 -1.930 7.467 1.00 0.00 O ATOM 1053 CB ALA A 71 3.567 -4.772 7.564 1.00 0.00 C ATOM 0 H ALA A 71 1.652 -5.961 8.568 1.00 0.00 H new ATOM 0 HA ALA A 71 3.148 -3.596 9.285 1.00 0.00 H new ATOM 0 HB1 ALA A 71 4.246 -4.031 7.143 1.00 0.00 H new ATOM 0 HB2 ALA A 71 4.139 -5.511 8.125 1.00 0.00 H new ATOM 0 HB3 ALA A 71 3.026 -5.268 6.758 1.00 0.00 H new ATOM 1059 N LEU A 72 0.493 -3.306 7.554 1.00 0.00 N ATOM 1060 CA LEU A 72 -0.396 -2.372 6.885 1.00 0.00 C ATOM 1061 C LEU A 72 -0.969 -1.395 7.913 1.00 0.00 C ATOM 1062 O LEU A 72 -1.457 -0.324 7.553 1.00 0.00 O ATOM 1063 CB LEU A 72 -1.464 -3.125 6.089 1.00 0.00 C ATOM 1064 CG LEU A 72 -1.078 -3.532 4.666 1.00 0.00 C ATOM 1065 CD1 LEU A 72 -2.055 -4.568 4.108 1.00 0.00 C ATOM 1066 CD2 LEU A 72 -0.961 -2.306 3.758 1.00 0.00 C ATOM 0 H LEU A 72 0.061 -4.191 7.819 1.00 0.00 H new ATOM 0 HA LEU A 72 0.154 -1.779 6.154 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.734 -4.025 6.642 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -2.357 -2.502 6.038 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.095 -4.002 4.700 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.758 -4.840 3.095 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -2.044 -5.456 4.740 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -3.060 -4.147 4.090 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -0.686 -2.623 2.752 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -1.918 -1.785 3.725 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -0.196 -1.635 4.149 1.00 0.00 H new ATOM 1078 N ASP A 73 -0.893 -1.799 9.173 1.00 0.00 N ATOM 1079 CA ASP A 73 -1.398 -0.972 10.255 1.00 0.00 C ATOM 1080 C ASP A 73 -0.383 0.129 10.568 1.00 0.00 C ATOM 1081 O ASP A 73 -0.737 1.164 11.130 1.00 0.00 O ATOM 1082 CB ASP A 73 -1.608 -1.797 11.527 1.00 0.00 C ATOM 1083 CG ASP A 73 -2.691 -1.269 12.469 1.00 0.00 C ATOM 1084 OD1 ASP A 73 -3.420 -0.350 12.038 1.00 0.00 O ATOM 1085 OD2 ASP A 73 -2.766 -1.797 13.600 1.00 0.00 O ATOM 0 H ASP A 73 -0.489 -2.688 9.468 1.00 0.00 H new ATOM 0 HA ASP A 73 -2.351 -0.548 9.938 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -1.862 -2.818 11.242 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -0.665 -1.843 12.072 1.00 0.00 H new ATOM 1090 N SER A 74 0.860 -0.132 10.190 1.00 0.00 N ATOM 1091 CA SER A 74 1.929 0.823 10.423 1.00 0.00 C ATOM 1092 C SER A 74 1.841 1.965 9.408 1.00 0.00 C ATOM 1093 O SER A 74 2.423 3.029 9.614 1.00 0.00 O ATOM 1094 CB SER A 74 3.299 0.147 10.344 1.00 0.00 C ATOM 1095 OG SER A 74 4.078 0.379 11.515 1.00 0.00 O ATOM 0 H SER A 74 1.150 -0.992 9.724 1.00 0.00 H new ATOM 0 HA SER A 74 1.812 1.229 11.428 1.00 0.00 H new ATOM 0 HB2 SER A 74 3.166 -0.926 10.204 1.00 0.00 H new ATOM 0 HB3 SER A 74 3.837 0.518 9.472 1.00 0.00 H new ATOM 0 HG SER A 74 4.944 -0.070 11.426 1.00 0.00 H new ATOM 1101 N VAL A 75 1.110 1.704 8.335 1.00 0.00 N ATOM 1102 CA VAL A 75 0.938 2.697 7.287 1.00 0.00 C ATOM 1103 C VAL A 75 -0.041 3.772 7.765 1.00 0.00 C ATOM 1104 O VAL A 75 -1.223 3.496 7.962 1.00 0.00 O ATOM 1105 CB VAL A 75 0.494 2.017 5.990 1.00 0.00 C ATOM 1106 CG1 VAL A 75 0.089 3.053 4.940 1.00 0.00 C ATOM 1107 CG2 VAL A 75 1.587 1.091 5.455 1.00 0.00 C ATOM 0 H VAL A 75 0.630 0.820 8.168 1.00 0.00 H new ATOM 0 HA VAL A 75 1.884 3.193 7.071 1.00 0.00 H new ATOM 0 HB VAL A 75 -0.381 1.407 6.213 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -0.222 2.544 4.028 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -0.737 3.653 5.321 1.00 0.00 H new ATOM 0 HG13 VAL A 75 0.938 3.701 4.722 1.00 0.00 H new ATOM 0 HG21 VAL A 75 1.246 0.620 4.533 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.489 1.670 5.255 1.00 0.00 H new ATOM 0 HG23 VAL A 75 1.807 0.322 6.195 1.00 0.00 H new ATOM 1117 N ASP A 76 0.489 4.974 7.936 1.00 0.00 N ATOM 1118 CA ASP A 76 -0.323 6.092 8.387 1.00 0.00 C ATOM 1119 C ASP A 76 -0.529 7.068 7.226 1.00 0.00 C ATOM 1120 O ASP A 76 0.420 7.704 6.770 1.00 0.00 O ATOM 1121 CB ASP A 76 0.364 6.849 9.525 1.00 0.00 C ATOM 1122 CG ASP A 76 1.586 7.671 9.109 1.00 0.00 C ATOM 1123 OD1 ASP A 76 2.365 7.151 8.282 1.00 0.00 O ATOM 1124 OD2 ASP A 76 1.712 8.801 9.629 1.00 0.00 O ATOM 0 H ASP A 76 1.470 5.198 7.771 1.00 0.00 H new ATOM 0 HA ASP A 76 -1.275 5.696 8.741 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -0.363 7.516 9.989 1.00 0.00 H new ATOM 0 HB3 ASP A 76 0.670 6.131 10.286 1.00 0.00 H new ATOM 1129 N PRO A 77 -1.807 7.157 6.770 1.00 0.00 N ATOM 1130 CA PRO A 77 -2.149 8.045 5.672 1.00 0.00 C ATOM 1131 C PRO A 77 -2.175 9.503 6.133 1.00 0.00 C ATOM 1132 O PRO A 77 -1.910 10.411 5.347 1.00 0.00 O ATOM 1133 CB PRO A 77 -3.500 7.555 5.177 1.00 0.00 C ATOM 1134 CG PRO A 77 -4.077 6.713 6.303 1.00 0.00 C ATOM 1135 CD PRO A 77 -2.956 6.419 7.286 1.00 0.00 C ATOM 0 HA PRO A 77 -1.413 8.023 4.869 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -4.156 8.393 4.940 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -3.392 6.967 4.266 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -4.890 7.244 6.799 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -4.494 5.785 5.911 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -3.217 6.745 8.293 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -2.748 5.350 7.341 1.00 0.00 H new ATOM 1143 N GLU A 78 -2.497 9.683 7.406 1.00 0.00 N ATOM 1144 CA GLU A 78 -2.560 11.016 7.981 1.00 0.00 C ATOM 1145 C GLU A 78 -3.734 11.795 7.385 1.00 0.00 C ATOM 1146 O GLU A 78 -3.831 13.009 7.561 1.00 0.00 O ATOM 1147 CB GLU A 78 -1.243 11.765 7.774 1.00 0.00 C ATOM 1148 CG GLU A 78 -0.062 10.961 8.321 1.00 0.00 C ATOM 1149 CD GLU A 78 1.223 11.791 8.303 1.00 0.00 C ATOM 1150 OE1 GLU A 78 1.791 11.934 7.199 1.00 0.00 O ATOM 1151 OE2 GLU A 78 1.607 12.264 9.394 1.00 0.00 O ATOM 0 H GLU A 78 -2.717 8.928 8.055 1.00 0.00 H new ATOM 0 HA GLU A 78 -2.720 10.921 9.055 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -1.094 11.959 6.712 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -1.290 12.734 8.272 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -0.277 10.640 9.340 1.00 0.00 H new ATOM 0 HG3 GLU A 78 0.075 10.059 7.725 1.00 0.00 H new ATOM 1158 N GLY A 79 -4.597 11.066 6.693 1.00 0.00 N ATOM 1159 CA GLY A 79 -5.761 11.674 6.070 1.00 0.00 C ATOM 1160 C GLY A 79 -5.828 11.331 4.581 1.00 0.00 C ATOM 1161 O GLY A 79 -6.913 11.251 4.007 1.00 0.00 O ATOM 0 H GLY A 79 -4.514 10.060 6.550 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -6.667 11.328 6.568 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -5.722 12.756 6.196 1.00 0.00 H new ATOM 1165 N ARG A 80 -4.654 11.136 3.998 1.00 0.00 N ATOM 1166 CA ARG A 80 -4.566 10.803 2.586 1.00 0.00 C ATOM 1167 C ARG A 80 -5.589 9.721 2.231 1.00 0.00 C ATOM 1168 O ARG A 80 -5.533 8.612 2.759 1.00 0.00 O ATOM 1169 CB ARG A 80 -3.165 10.309 2.223 1.00 0.00 C ATOM 1170 CG ARG A 80 -2.154 11.457 2.254 1.00 0.00 C ATOM 1171 CD ARG A 80 -1.865 11.971 0.842 1.00 0.00 C ATOM 1172 NE ARG A 80 -0.633 12.791 0.845 1.00 0.00 N ATOM 1173 CZ ARG A 80 -0.320 13.680 -0.108 1.00 0.00 C ATOM 1174 NH1 ARG A 80 -1.146 13.868 -1.146 1.00 0.00 N ATOM 1175 NH2 ARG A 80 0.820 14.380 -0.024 1.00 0.00 N ATOM 0 H ARG A 80 -3.756 11.202 4.478 1.00 0.00 H new ATOM 0 HA ARG A 80 -4.778 11.709 2.018 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -2.858 9.530 2.921 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -3.180 9.859 1.230 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -2.540 12.270 2.869 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -1.228 11.118 2.718 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -1.751 11.131 0.156 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -2.706 12.564 0.483 1.00 0.00 H new ATOM 0 HE ARG A 80 0.019 12.672 1.621 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -2.013 13.335 -1.211 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -0.908 14.545 -1.871 1.00 0.00 H new ATOM 0 HH21 ARG A 80 1.450 14.236 0.765 1.00 0.00 H new ATOM 0 HH22 ARG A 80 1.058 15.056 -0.749 1.00 0.00 H new ATOM 1189 N ALA A 81 -6.499 10.082 1.339 1.00 0.00 N ATOM 1190 CA ALA A 81 -7.533 9.157 0.907 1.00 0.00 C ATOM 1191 C ALA A 81 -6.898 8.047 0.067 1.00 0.00 C ATOM 1192 O ALA A 81 -7.075 6.865 0.358 1.00 0.00 O ATOM 1193 CB ALA A 81 -8.616 9.920 0.143 1.00 0.00 C ATOM 0 H ALA A 81 -6.542 11.003 0.903 1.00 0.00 H new ATOM 0 HA ALA A 81 -8.012 8.688 1.767 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -9.391 9.225 -0.181 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -9.055 10.677 0.793 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -8.175 10.403 -0.729 1.00 0.00 H new ATOM 1199 N ASP A 82 -6.173 8.467 -0.959 1.00 0.00 N ATOM 1200 CA ASP A 82 -5.511 7.523 -1.844 1.00 0.00 C ATOM 1201 C ASP A 82 -4.764 6.483 -1.007 1.00 0.00 C ATOM 1202 O ASP A 82 -4.662 5.322 -1.399 1.00 0.00 O ATOM 1203 CB ASP A 82 -4.492 8.229 -2.740 1.00 0.00 C ATOM 1204 CG ASP A 82 -4.877 8.310 -4.219 1.00 0.00 C ATOM 1205 OD1 ASP A 82 -6.046 7.986 -4.519 1.00 0.00 O ATOM 1206 OD2 ASP A 82 -3.993 8.693 -5.015 1.00 0.00 O ATOM 0 H ASP A 82 -6.029 9.448 -1.198 1.00 0.00 H new ATOM 0 HA ASP A 82 -6.273 7.053 -2.466 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -4.340 9.241 -2.364 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -3.537 7.711 -2.657 1.00 0.00 H new ATOM 1211 N VAL A 83 -4.260 6.938 0.132 1.00 0.00 N ATOM 1212 CA VAL A 83 -3.525 6.061 1.028 1.00 0.00 C ATOM 1213 C VAL A 83 -4.510 5.342 1.952 1.00 0.00 C ATOM 1214 O VAL A 83 -4.485 4.117 2.059 1.00 0.00 O ATOM 1215 CB VAL A 83 -2.466 6.860 1.789 1.00 0.00 C ATOM 1216 CG1 VAL A 83 -1.645 5.950 2.704 1.00 0.00 C ATOM 1217 CG2 VAL A 83 -1.561 7.629 0.824 1.00 0.00 C ATOM 0 H VAL A 83 -4.346 7.902 0.454 1.00 0.00 H new ATOM 0 HA VAL A 83 -2.992 5.296 0.463 1.00 0.00 H new ATOM 0 HB VAL A 83 -2.982 7.587 2.416 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -0.899 6.543 3.233 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -2.305 5.469 3.426 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -1.145 5.188 2.106 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -0.817 8.189 1.391 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -1.058 6.927 0.159 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -2.163 8.320 0.234 1.00 0.00 H new ATOM 1227 N ARG A 84 -5.354 6.134 2.596 1.00 0.00 N ATOM 1228 CA ARG A 84 -6.345 5.589 3.508 1.00 0.00 C ATOM 1229 C ARG A 84 -7.104 4.440 2.841 1.00 0.00 C ATOM 1230 O ARG A 84 -7.425 3.445 3.488 1.00 0.00 O ATOM 1231 CB ARG A 84 -7.342 6.664 3.945 1.00 0.00 C ATOM 1232 CG ARG A 84 -6.967 7.236 5.314 1.00 0.00 C ATOM 1233 CD ARG A 84 -8.198 7.792 6.032 1.00 0.00 C ATOM 1234 NE ARG A 84 -7.799 8.884 6.948 1.00 0.00 N ATOM 1235 CZ ARG A 84 -8.526 9.286 7.999 1.00 0.00 C ATOM 1236 NH1 ARG A 84 -9.693 8.689 8.274 1.00 0.00 N ATOM 1237 NH2 ARG A 84 -8.085 10.285 8.776 1.00 0.00 N ATOM 0 H ARG A 84 -5.372 7.150 2.504 1.00 0.00 H new ATOM 0 HA ARG A 84 -5.818 5.219 4.388 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -7.365 7.465 3.206 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -8.345 6.239 3.987 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -6.507 6.458 5.923 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -6.226 8.026 5.191 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -8.918 8.163 5.303 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -8.692 6.998 6.592 1.00 0.00 H new ATOM 0 HE ARG A 84 -6.915 9.360 6.768 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -10.028 7.928 7.683 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -10.246 8.995 9.074 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -7.196 10.739 8.567 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -8.638 10.591 9.576 1.00 0.00 H new ATOM 1251 N GLN A 85 -7.370 4.616 1.555 1.00 0.00 N ATOM 1252 CA GLN A 85 -8.085 3.606 0.793 1.00 0.00 C ATOM 1253 C GLN A 85 -7.178 2.404 0.523 1.00 0.00 C ATOM 1254 O GLN A 85 -7.473 1.290 0.954 1.00 0.00 O ATOM 1255 CB GLN A 85 -8.628 4.188 -0.514 1.00 0.00 C ATOM 1256 CG GLN A 85 -8.997 3.076 -1.497 1.00 0.00 C ATOM 1257 CD GLN A 85 -10.408 3.281 -2.053 1.00 0.00 C ATOM 1258 OE1 GLN A 85 -11.300 3.776 -1.384 1.00 0.00 O ATOM 1259 NE2 GLN A 85 -10.559 2.874 -3.310 1.00 0.00 N ATOM 0 H GLN A 85 -7.103 5.443 1.021 1.00 0.00 H new ATOM 0 HA GLN A 85 -8.937 3.268 1.384 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -9.505 4.801 -0.307 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -7.881 4.842 -0.963 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -8.279 3.057 -2.317 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -8.936 2.109 -0.997 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -9.770 2.468 -3.813 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -11.464 2.968 -3.771 1.00 0.00 H new ATOM 1268 N ALA A 86 -6.093 2.670 -0.190 1.00 0.00 N ATOM 1269 CA ALA A 86 -5.142 1.623 -0.523 1.00 0.00 C ATOM 1270 C ALA A 86 -4.965 0.698 0.683 1.00 0.00 C ATOM 1271 O ALA A 86 -4.708 -0.494 0.523 1.00 0.00 O ATOM 1272 CB ALA A 86 -3.823 2.256 -0.971 1.00 0.00 C ATOM 0 H ALA A 86 -5.852 3.595 -0.546 1.00 0.00 H new ATOM 0 HA ALA A 86 -5.511 1.018 -1.351 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -3.109 1.471 -1.221 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -3.998 2.880 -1.848 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -3.421 2.869 -0.164 1.00 0.00 H new ATOM 1278 N ARG A 87 -5.109 1.283 1.863 1.00 0.00 N ATOM 1279 CA ARG A 87 -4.969 0.527 3.096 1.00 0.00 C ATOM 1280 C ARG A 87 -6.188 -0.373 3.309 1.00 0.00 C ATOM 1281 O ARG A 87 -6.059 -1.594 3.373 1.00 0.00 O ATOM 1282 CB ARG A 87 -4.814 1.458 4.300 1.00 0.00 C ATOM 1283 CG ARG A 87 -3.533 1.145 5.075 1.00 0.00 C ATOM 1284 CD ARG A 87 -3.233 2.237 6.104 1.00 0.00 C ATOM 1285 NE ARG A 87 -3.937 1.944 7.373 1.00 0.00 N ATOM 1286 CZ ARG A 87 -5.192 2.330 7.642 1.00 0.00 C ATOM 1287 NH1 ARG A 87 -5.889 3.026 6.733 1.00 0.00 N ATOM 1288 NH2 ARG A 87 -5.750 2.019 8.820 1.00 0.00 N ATOM 0 H ARG A 87 -5.321 2.272 1.991 1.00 0.00 H new ATOM 0 HA ARG A 87 -4.072 -0.086 3.008 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -4.795 2.494 3.963 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -5.676 1.353 4.958 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -3.634 0.184 5.579 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -2.697 1.055 4.381 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -2.159 2.297 6.280 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -3.548 3.207 5.719 1.00 0.00 H new ATOM 0 HE ARG A 87 -3.436 1.415 8.087 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -5.464 3.262 5.836 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -6.844 3.320 6.938 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -5.220 1.489 9.511 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -6.705 2.313 9.025 1.00 0.00 H new ATOM 1302 N ARG A 88 -7.344 0.267 3.412 1.00 0.00 N ATOM 1303 CA ARG A 88 -8.585 -0.460 3.616 1.00 0.00 C ATOM 1304 C ARG A 88 -8.834 -1.424 2.454 1.00 0.00 C ATOM 1305 O ARG A 88 -9.389 -2.504 2.646 1.00 0.00 O ATOM 1306 CB ARG A 88 -9.771 0.498 3.737 1.00 0.00 C ATOM 1307 CG ARG A 88 -10.323 0.865 2.358 1.00 0.00 C ATOM 1308 CD ARG A 88 -11.462 1.880 2.475 1.00 0.00 C ATOM 1309 NE ARG A 88 -10.913 3.228 2.745 1.00 0.00 N ATOM 1310 CZ ARG A 88 -11.602 4.366 2.585 1.00 0.00 C ATOM 1311 NH1 ARG A 88 -12.871 4.326 2.155 1.00 0.00 N ATOM 1312 NH2 ARG A 88 -11.023 5.544 2.854 1.00 0.00 N ATOM 0 H ARG A 88 -7.447 1.280 3.358 1.00 0.00 H new ATOM 0 HA ARG A 88 -8.490 -1.022 4.545 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -10.556 0.036 4.336 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -9.461 1.402 4.261 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -9.525 1.278 1.741 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -10.682 -0.033 1.855 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -12.044 1.893 1.554 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -12.140 1.587 3.277 1.00 0.00 H new ATOM 0 HE ARG A 88 -9.950 3.295 3.073 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -13.312 3.429 1.950 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -13.396 5.192 2.033 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -10.057 5.575 3.181 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -11.548 6.410 2.732 1.00 0.00 H new ATOM 1326 N ASP A 89 -8.410 -0.997 1.273 1.00 0.00 N ATOM 1327 CA ASP A 89 -8.580 -1.809 0.080 1.00 0.00 C ATOM 1328 C ASP A 89 -7.579 -2.965 0.108 1.00 0.00 C ATOM 1329 O ASP A 89 -7.919 -4.095 -0.241 1.00 0.00 O ATOM 1330 CB ASP A 89 -8.320 -0.989 -1.186 1.00 0.00 C ATOM 1331 CG ASP A 89 -9.436 -1.040 -2.230 1.00 0.00 C ATOM 1332 OD1 ASP A 89 -10.504 -1.595 -1.893 1.00 0.00 O ATOM 1333 OD2 ASP A 89 -9.197 -0.522 -3.342 1.00 0.00 O ATOM 0 H ASP A 89 -7.950 -0.100 1.117 1.00 0.00 H new ATOM 0 HA ASP A 89 -9.606 -2.178 0.067 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -8.157 0.050 -0.900 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -7.397 -1.341 -1.646 1.00 0.00 H new ATOM 1338 N GLY A 90 -6.364 -2.644 0.527 1.00 0.00 N ATOM 1339 CA GLY A 90 -5.310 -3.642 0.605 1.00 0.00 C ATOM 1340 C GLY A 90 -5.599 -4.658 1.712 1.00 0.00 C ATOM 1341 O GLY A 90 -5.742 -5.849 1.444 1.00 0.00 O ATOM 0 H GLY A 90 -6.085 -1.706 0.816 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -5.220 -4.157 -0.352 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -4.355 -3.153 0.795 1.00 0.00 H new ATOM 1345 N VAL A 91 -5.676 -4.149 2.933 1.00 0.00 N ATOM 1346 CA VAL A 91 -5.945 -4.997 4.082 1.00 0.00 C ATOM 1347 C VAL A 91 -7.126 -5.917 3.766 1.00 0.00 C ATOM 1348 O VAL A 91 -7.127 -7.085 4.149 1.00 0.00 O ATOM 1349 CB VAL A 91 -6.174 -4.135 5.326 1.00 0.00 C ATOM 1350 CG1 VAL A 91 -4.911 -3.355 5.692 1.00 0.00 C ATOM 1351 CG2 VAL A 91 -7.363 -3.193 5.128 1.00 0.00 C ATOM 0 H VAL A 91 -5.557 -3.160 3.152 1.00 0.00 H new ATOM 0 HA VAL A 91 -5.086 -5.633 4.297 1.00 0.00 H new ATOM 0 HB VAL A 91 -6.409 -4.800 6.157 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -5.101 -2.751 6.579 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -4.099 -4.053 5.895 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -4.632 -2.705 4.863 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -7.504 -2.592 6.026 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -7.170 -2.537 4.279 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -8.263 -3.778 4.938 1.00 0.00 H new ATOM 1361 N ARG A 92 -8.103 -5.355 3.069 1.00 0.00 N ATOM 1362 CA ARG A 92 -9.287 -6.110 2.697 1.00 0.00 C ATOM 1363 C ARG A 92 -8.895 -7.345 1.883 1.00 0.00 C ATOM 1364 O ARG A 92 -9.205 -8.471 2.269 1.00 0.00 O ATOM 1365 CB ARG A 92 -10.252 -5.253 1.876 1.00 0.00 C ATOM 1366 CG ARG A 92 -11.453 -4.818 2.719 1.00 0.00 C ATOM 1367 CD ARG A 92 -12.746 -4.877 1.902 1.00 0.00 C ATOM 1368 NE ARG A 92 -13.911 -4.631 2.781 1.00 0.00 N ATOM 1369 CZ ARG A 92 -14.252 -3.425 3.256 1.00 0.00 C ATOM 1370 NH1 ARG A 92 -13.521 -2.348 2.938 1.00 0.00 N ATOM 1371 NH2 ARG A 92 -15.326 -3.296 4.047 1.00 0.00 N ATOM 0 H ARG A 92 -8.099 -4.385 2.752 1.00 0.00 H new ATOM 0 HA ARG A 92 -9.785 -6.419 3.616 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -9.731 -4.373 1.498 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -10.597 -5.817 1.009 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -11.541 -5.463 3.593 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -11.296 -3.804 3.086 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -12.717 -4.133 1.106 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -12.840 -5.852 1.424 1.00 0.00 H new ATOM 0 HE ARG A 92 -14.490 -5.429 3.042 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -12.705 -2.446 2.334 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -13.781 -1.430 3.300 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -15.884 -4.115 4.287 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -15.586 -2.378 4.409 1.00 0.00 H new ATOM 1385 N LYS A 93 -8.218 -7.093 0.773 1.00 0.00 N ATOM 1386 CA LYS A 93 -7.781 -8.170 -0.099 1.00 0.00 C ATOM 1387 C LYS A 93 -7.299 -9.345 0.754 1.00 0.00 C ATOM 1388 O LYS A 93 -7.727 -10.480 0.552 1.00 0.00 O ATOM 1389 CB LYS A 93 -6.735 -7.663 -1.094 1.00 0.00 C ATOM 1390 CG LYS A 93 -5.346 -8.208 -0.756 1.00 0.00 C ATOM 1391 CD LYS A 93 -4.337 -7.853 -1.849 1.00 0.00 C ATOM 1392 CE LYS A 93 -3.992 -9.080 -2.697 1.00 0.00 C ATOM 1393 NZ LYS A 93 -4.373 -8.857 -4.110 1.00 0.00 N ATOM 0 H LYS A 93 -7.961 -6.158 0.457 1.00 0.00 H new ATOM 0 HA LYS A 93 -8.612 -8.533 -0.703 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -7.012 -7.965 -2.104 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -6.715 -6.573 -1.082 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -5.013 -7.799 0.198 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -5.395 -9.291 -0.639 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -4.747 -7.070 -2.486 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -3.430 -7.453 -1.396 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -2.924 -9.287 -2.630 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -4.511 -9.956 -2.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -4.733 -9.744 -4.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -5.113 -8.128 -4.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -3.541 -8.542 -4.648 1.00 0.00 H new ATOM 1407 N VAL A 94 -6.413 -9.033 1.689 1.00 0.00 N ATOM 1408 CA VAL A 94 -5.869 -10.049 2.573 1.00 0.00 C ATOM 1409 C VAL A 94 -6.993 -10.622 3.439 1.00 0.00 C ATOM 1410 O VAL A 94 -7.199 -11.834 3.471 1.00 0.00 O ATOM 1411 CB VAL A 94 -4.719 -9.465 3.397 1.00 0.00 C ATOM 1412 CG1 VAL A 94 -3.872 -10.575 4.022 1.00 0.00 C ATOM 1413 CG2 VAL A 94 -3.856 -8.530 2.547 1.00 0.00 C ATOM 0 H VAL A 94 -6.059 -8.091 1.853 1.00 0.00 H new ATOM 0 HA VAL A 94 -5.452 -10.873 1.995 1.00 0.00 H new ATOM 0 HB VAL A 94 -5.152 -8.878 4.207 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -3.062 -10.132 4.602 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -4.496 -11.184 4.676 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -3.454 -11.201 3.234 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -3.046 -8.128 3.156 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -3.438 -9.084 1.707 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -4.469 -7.710 2.172 1.00 0.00 H new ATOM 1423 N GLN A 95 -7.690 -9.724 4.118 1.00 0.00 N ATOM 1424 CA GLN A 95 -8.788 -10.125 4.981 1.00 0.00 C ATOM 1425 C GLN A 95 -9.554 -11.293 4.358 1.00 0.00 C ATOM 1426 O GLN A 95 -9.602 -12.383 4.927 1.00 0.00 O ATOM 1427 CB GLN A 95 -9.721 -8.946 5.265 1.00 0.00 C ATOM 1428 CG GLN A 95 -9.143 -8.039 6.353 1.00 0.00 C ATOM 1429 CD GLN A 95 -10.199 -7.056 6.865 1.00 0.00 C ATOM 1430 OE1 GLN A 95 -11.379 -7.357 6.941 1.00 0.00 O ATOM 1431 NE2 GLN A 95 -9.710 -5.869 7.212 1.00 0.00 N ATOM 0 H GLN A 95 -7.516 -8.719 4.088 1.00 0.00 H new ATOM 0 HA GLN A 95 -8.374 -10.455 5.933 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -9.875 -8.371 4.352 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -10.697 -9.317 5.577 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -8.775 -8.646 7.180 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -8.290 -7.488 5.957 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -8.711 -5.683 7.123 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -10.334 -5.144 7.567 1.00 0.00 H new ATOM 1440 N THR A 96 -10.133 -11.026 3.196 1.00 0.00 N ATOM 1441 CA THR A 96 -10.895 -12.042 2.489 1.00 0.00 C ATOM 1442 C THR A 96 -10.048 -13.301 2.290 1.00 0.00 C ATOM 1443 O THR A 96 -10.436 -14.388 2.716 1.00 0.00 O ATOM 1444 CB THR A 96 -11.394 -11.431 1.178 1.00 0.00 C ATOM 1445 OG1 THR A 96 -12.509 -10.635 1.569 1.00 0.00 O ATOM 1446 CG2 THR A 96 -11.994 -12.477 0.236 1.00 0.00 C ATOM 0 H THR A 96 -10.090 -10.121 2.727 1.00 0.00 H new ATOM 0 HA THR A 96 -11.763 -12.360 3.067 1.00 0.00 H new ATOM 0 HB THR A 96 -10.570 -10.922 0.677 1.00 0.00 H new ATOM 0 HG1 THR A 96 -12.893 -10.200 0.779 1.00 0.00 H new ATOM 0 HG21 THR A 96 -12.333 -11.991 -0.679 1.00 0.00 H new ATOM 0 HG22 THR A 96 -11.238 -13.223 -0.008 1.00 0.00 H new ATOM 0 HG23 THR A 96 -12.839 -12.963 0.723 1.00 0.00 H new ATOM 1454 N ILE A 97 -8.908 -13.112 1.642 1.00 0.00 N ATOM 1455 CA ILE A 97 -8.004 -14.218 1.381 1.00 0.00 C ATOM 1456 C ILE A 97 -7.783 -15.007 2.673 1.00 0.00 C ATOM 1457 O ILE A 97 -7.758 -16.237 2.657 1.00 0.00 O ATOM 1458 CB ILE A 97 -6.709 -13.713 0.740 1.00 0.00 C ATOM 1459 CG1 ILE A 97 -6.993 -13.014 -0.591 1.00 0.00 C ATOM 1460 CG2 ILE A 97 -5.694 -14.847 0.588 1.00 0.00 C ATOM 1461 CD1 ILE A 97 -5.866 -12.045 -0.953 1.00 0.00 C ATOM 0 H ILE A 97 -8.590 -12.209 1.290 1.00 0.00 H new ATOM 0 HA ILE A 97 -8.443 -14.905 0.658 1.00 0.00 H new ATOM 0 HB ILE A 97 -6.265 -12.972 1.404 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -7.105 -13.758 -1.380 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -7.937 -12.472 -0.527 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -4.783 -14.461 0.130 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -5.460 -15.260 1.569 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -6.114 -15.629 -0.044 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -6.093 -11.562 -1.903 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -5.773 -11.288 -0.174 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -4.928 -12.594 -1.040 1.00 0.00 H new ATOM 1473 N LEU A 98 -7.629 -14.267 3.761 1.00 0.00 N ATOM 1474 CA LEU A 98 -7.411 -14.882 5.060 1.00 0.00 C ATOM 1475 C LEU A 98 -8.601 -15.782 5.399 1.00 0.00 C ATOM 1476 O LEU A 98 -8.421 -16.944 5.761 1.00 0.00 O ATOM 1477 CB LEU A 98 -7.128 -13.813 6.118 1.00 0.00 C ATOM 1478 CG LEU A 98 -5.705 -13.787 6.680 1.00 0.00 C ATOM 1479 CD1 LEU A 98 -5.494 -12.568 7.581 1.00 0.00 C ATOM 1480 CD2 LEU A 98 -5.375 -15.096 7.399 1.00 0.00 C ATOM 0 H LEU A 98 -7.651 -13.247 3.770 1.00 0.00 H new ATOM 0 HA LEU A 98 -6.526 -15.518 5.037 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -7.345 -12.836 5.686 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -7.822 -13.957 6.946 1.00 0.00 H new ATOM 0 HG LEU A 98 -5.010 -13.695 5.846 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -4.475 -12.573 7.967 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -5.659 -11.657 7.005 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -6.198 -12.604 8.413 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -4.358 -15.051 7.789 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -6.073 -15.245 8.223 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -5.458 -15.927 6.699 1.00 0.00 H new ATOM 1492 N GLU A 99 -9.790 -15.213 5.268 1.00 0.00 N ATOM 1493 CA GLU A 99 -11.008 -15.950 5.556 1.00 0.00 C ATOM 1494 C GLU A 99 -11.229 -17.041 4.507 1.00 0.00 C ATOM 1495 O GLU A 99 -11.915 -18.028 4.767 1.00 0.00 O ATOM 1496 CB GLU A 99 -12.213 -15.009 5.632 1.00 0.00 C ATOM 1497 CG GLU A 99 -12.971 -15.194 6.948 1.00 0.00 C ATOM 1498 CD GLU A 99 -14.247 -14.350 6.969 1.00 0.00 C ATOM 1499 OE1 GLU A 99 -14.109 -13.117 7.123 1.00 0.00 O ATOM 1500 OE2 GLU A 99 -15.331 -14.956 6.830 1.00 0.00 O ATOM 0 H GLU A 99 -9.936 -14.250 4.966 1.00 0.00 H new ATOM 0 HA GLU A 99 -10.899 -16.427 6.530 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -11.878 -13.976 5.543 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -12.882 -15.200 4.793 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -13.224 -16.246 7.081 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -12.330 -14.912 7.784 1.00 0.00 H new ATOM 1507 N LYS A 100 -10.635 -16.826 3.342 1.00 0.00 N ATOM 1508 CA LYS A 100 -10.759 -17.778 2.252 1.00 0.00 C ATOM 1509 C LYS A 100 -9.922 -19.020 2.568 1.00 0.00 C ATOM 1510 O LYS A 100 -10.378 -20.146 2.374 1.00 0.00 O ATOM 1511 CB LYS A 100 -10.400 -17.118 0.919 1.00 0.00 C ATOM 1512 CG LYS A 100 -9.481 -18.018 0.091 1.00 0.00 C ATOM 1513 CD LYS A 100 -8.840 -17.238 -1.059 1.00 0.00 C ATOM 1514 CE LYS A 100 -9.867 -16.922 -2.147 1.00 0.00 C ATOM 1515 NZ LYS A 100 -9.191 -16.457 -3.379 1.00 0.00 N ATOM 0 H LYS A 100 -10.067 -16.006 3.130 1.00 0.00 H new ATOM 0 HA LYS A 100 -11.793 -18.107 2.150 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -11.310 -16.906 0.357 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -9.909 -16.162 1.103 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -8.703 -18.436 0.730 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -10.051 -18.857 -0.307 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -8.410 -16.311 -0.679 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -8.021 -17.818 -1.484 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -10.461 -17.810 -2.364 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -10.557 -16.156 -1.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -9.903 -16.247 -4.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -8.644 -15.597 -3.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -8.551 -17.200 -3.725 1.00 0.00 H new ATOM 1529 N LEU A 101 -8.713 -18.772 3.050 1.00 0.00 N ATOM 1530 CA LEU A 101 -7.808 -19.856 3.394 1.00 0.00 C ATOM 1531 C LEU A 101 -8.576 -20.926 4.173 1.00 0.00 C ATOM 1532 O LEU A 101 -8.598 -22.090 3.777 1.00 0.00 O ATOM 1533 CB LEU A 101 -6.583 -19.316 4.135 1.00 0.00 C ATOM 1534 CG LEU A 101 -5.635 -20.366 4.717 1.00 0.00 C ATOM 1535 CD1 LEU A 101 -5.038 -21.238 3.611 1.00 0.00 C ATOM 1536 CD2 LEU A 101 -4.553 -19.710 5.577 1.00 0.00 C ATOM 0 H LEU A 101 -8.339 -17.837 3.210 1.00 0.00 H new ATOM 0 HA LEU A 101 -7.422 -20.332 2.493 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -6.017 -18.685 3.450 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -6.927 -18.676 4.947 1.00 0.00 H new ATOM 0 HG LEU A 101 -6.211 -21.023 5.369 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -4.368 -21.976 4.052 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -5.840 -21.749 3.077 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -4.480 -20.612 2.915 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -3.892 -20.478 5.979 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -3.974 -19.016 4.967 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -5.021 -19.167 6.399 1.00 0.00 H new ATOM 1548 N GLU A 102 -9.185 -20.494 5.267 1.00 0.00 N ATOM 1549 CA GLU A 102 -9.951 -21.401 6.105 1.00 0.00 C ATOM 1550 C GLU A 102 -10.710 -22.409 5.240 1.00 0.00 C ATOM 1551 O GLU A 102 -10.419 -23.603 5.272 1.00 0.00 O ATOM 1552 CB GLU A 102 -10.908 -20.629 7.016 1.00 0.00 C ATOM 1553 CG GLU A 102 -10.148 -19.624 7.884 1.00 0.00 C ATOM 1554 CD GLU A 102 -11.026 -19.114 9.028 1.00 0.00 C ATOM 1555 OE1 GLU A 102 -11.925 -18.297 8.733 1.00 0.00 O ATOM 1556 OE2 GLU A 102 -10.779 -19.552 10.173 1.00 0.00 O ATOM 0 H GLU A 102 -9.164 -19.528 5.593 1.00 0.00 H new ATOM 0 HA GLU A 102 -9.258 -21.949 6.743 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -11.649 -20.106 6.411 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -11.452 -21.327 7.653 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -9.252 -20.093 8.290 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -9.819 -18.785 7.271 1.00 0.00 H new ATOM 1563 N GLN A 103 -11.670 -21.890 4.488 1.00 0.00 N ATOM 1564 CA GLN A 103 -12.473 -22.730 3.616 1.00 0.00 C ATOM 1565 C GLN A 103 -11.580 -23.714 2.856 1.00 0.00 C ATOM 1566 O GLN A 103 -11.965 -24.860 2.631 1.00 0.00 O ATOM 1567 CB GLN A 103 -13.301 -21.882 2.648 1.00 0.00 C ATOM 1568 CG GLN A 103 -14.598 -21.407 3.307 1.00 0.00 C ATOM 1569 CD GLN A 103 -15.747 -22.374 3.015 1.00 0.00 C ATOM 1570 OE1 GLN A 103 -15.574 -23.421 2.413 1.00 0.00 O ATOM 1571 NE2 GLN A 103 -16.927 -21.966 3.474 1.00 0.00 N ATOM 0 H GLN A 103 -11.909 -20.899 4.465 1.00 0.00 H new ATOM 0 HA GLN A 103 -13.167 -23.301 4.233 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -12.717 -21.021 2.323 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -13.534 -22.464 1.756 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -14.453 -21.323 4.384 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -14.853 -20.412 2.941 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -17.002 -21.078 3.970 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -17.757 -22.541 3.330 1.00 0.00 H new ATOM 1580 N LYS A 104 -10.405 -23.230 2.483 1.00 0.00 N ATOM 1581 CA LYS A 104 -9.455 -24.052 1.753 1.00 0.00 C ATOM 1582 C LYS A 104 -8.940 -25.164 2.670 1.00 0.00 C ATOM 1583 O LYS A 104 -8.733 -26.293 2.228 1.00 0.00 O ATOM 1584 CB LYS A 104 -8.345 -23.186 1.155 1.00 0.00 C ATOM 1585 CG LYS A 104 -8.923 -21.924 0.509 1.00 0.00 C ATOM 1586 CD LYS A 104 -8.790 -21.978 -1.014 1.00 0.00 C ATOM 1587 CE LYS A 104 -9.444 -23.241 -1.577 1.00 0.00 C ATOM 1588 NZ LYS A 104 -9.407 -23.229 -3.056 1.00 0.00 N ATOM 0 H LYS A 104 -10.089 -22.279 2.673 1.00 0.00 H new ATOM 0 HA LYS A 104 -9.942 -24.535 0.906 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -7.636 -22.908 1.935 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -7.792 -23.759 0.411 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -9.973 -21.819 0.782 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -8.405 -21.045 0.892 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -9.255 -21.096 -1.455 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -7.736 -21.955 -1.292 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -8.926 -24.124 -1.202 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -10.476 -23.307 -1.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -9.681 -24.165 -3.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -10.069 -22.512 -3.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -8.444 -23.002 -3.377 1.00 0.00 H new ATOM 1602 N ALA A 105 -8.747 -24.805 3.931 1.00 0.00 N ATOM 1603 CA ALA A 105 -8.261 -25.758 4.914 1.00 0.00 C ATOM 1604 C ALA A 105 -9.451 -26.398 5.631 1.00 0.00 C ATOM 1605 O ALA A 105 -9.346 -26.784 6.794 1.00 0.00 O ATOM 1606 CB ALA A 105 -7.308 -25.052 5.882 1.00 0.00 C ATOM 0 H ALA A 105 -8.918 -23.867 4.294 1.00 0.00 H new ATOM 0 HA ALA A 105 -7.701 -26.557 4.429 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -6.943 -25.767 6.620 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -6.465 -24.641 5.327 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -7.837 -24.245 6.389 1.00 0.00 H new ATOM 1612 N SER A 106 -10.557 -26.492 4.907 1.00 0.00 N ATOM 1613 CA SER A 106 -11.766 -27.078 5.459 1.00 0.00 C ATOM 1614 C SER A 106 -12.379 -28.056 4.454 1.00 0.00 C ATOM 1615 O SER A 106 -13.491 -28.542 4.656 1.00 0.00 O ATOM 1616 CB SER A 106 -12.781 -25.997 5.834 1.00 0.00 C ATOM 1617 OG SER A 106 -12.601 -25.537 7.171 1.00 0.00 O ATOM 0 H SER A 106 -10.641 -26.172 3.942 1.00 0.00 H new ATOM 0 HA SER A 106 -11.500 -27.619 6.367 1.00 0.00 H new ATOM 0 HB2 SER A 106 -12.687 -25.157 5.146 1.00 0.00 H new ATOM 0 HB3 SER A 106 -13.790 -26.392 5.719 1.00 0.00 H new ATOM 0 HG SER A 106 -13.267 -24.846 7.372 1.00 0.00 H new