USER MOD reduce.3.24.130724 H: found=0, std=0, add=738, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 737 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 85 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 86 SER OG : rot 180:sc= -0.256 USER MOD Set 2.1: A 61 THR OG1 : rot 41:sc= -1.89! USER MOD Set 2.2: A 62 HIS : no HD1:sc= -8.8! C(o=-11!,f=-11!) USER MOD Single : A 31 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0179) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 MET CE :methyl -150:sc= -1.17 (180deg=-3.96!) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.00478 USER MOD Single : A 42 MET CE :methyl -167:sc= -1.87 (180deg=-2.37) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -0.137 X(o=-0.14,f=-0.44) USER MOD Single : A 57 SER OG : rot 180:sc= -1.1 USER MOD Single : A 59 SER OG : rot 45:sc=0.000484 USER MOD Single : A 67 ASN : amide:sc= -0.0186 X(o=-0.019,f=-0.1) USER MOD Single : A 68 ASN : amide:sc= -0.813 K(o=-0.81,f=-0.034) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= -0.0319 USER MOD Single : A 78 GLN : amide:sc= -0.204 K(o=-0.2,f=-2.8!) USER MOD Single : A 80 GLN : amide:sc= -2.82 K(o=-2.8,f=-1.7) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 GLN : amide:sc=-0.00175 X(o=-0.0018,f=0) USER MOD Single : A 87 GLN : amide:sc= -0.388 K(o=-0.39,f=-1.1) USER MOD Single : A 94 SER OG : rot 180:sc= 0.0155 USER MOD Single : A 99 CYS SG : rot 140:sc= -7.22! USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 109 THR OG1 : rot -136:sc= -4.57! USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 HIS : no HE2:sc= -2.22! C(o=-2.2!,f=-6.3!) USER MOD Single : A 113 GLN : amide:sc= -4.27! C(o=-4.3!,f=-4.6!) USER MOD ----------------------------------------------------------------- ATOM 298 N LEU A 24 -0.015 4.858 -12.293 1.00 0.00 N ATOM 299 CA LEU A 24 0.255 4.873 -10.865 1.00 0.00 C ATOM 300 C LEU A 24 -1.056 4.684 -10.101 1.00 0.00 C ATOM 301 O LEU A 24 -1.471 5.562 -9.346 1.00 0.00 O ATOM 302 CB LEU A 24 1.015 6.143 -10.478 1.00 0.00 C ATOM 303 CG LEU A 24 2.118 5.972 -9.431 1.00 0.00 C ATOM 304 CD1 LEU A 24 1.530 5.572 -8.076 1.00 0.00 C ATOM 305 CD2 LEU A 24 3.180 4.981 -9.910 1.00 0.00 C ATOM 0 HA LEU A 24 0.906 4.043 -10.591 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.459 6.566 -11.379 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.297 6.873 -10.104 1.00 0.00 H new ATOM 0 HG LEU A 24 2.613 6.934 -9.296 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.335 5.457 -7.350 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.842 6.346 -7.735 1.00 0.00 H new ATOM 0 HD13 LEU A 24 0.994 4.628 -8.176 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.952 4.878 -9.147 1.00 0.00 H new ATOM 0 HD22 LEU A 24 2.717 4.011 -10.091 1.00 0.00 H new ATOM 0 HD23 LEU A 24 3.629 5.347 -10.833 1.00 0.00 H new ATOM 317 N VAL A 25 -1.672 3.532 -10.322 1.00 0.00 N ATOM 318 CA VAL A 25 -2.928 3.216 -9.663 1.00 0.00 C ATOM 319 C VAL A 25 -2.648 2.787 -8.221 1.00 0.00 C ATOM 320 O VAL A 25 -1.942 1.808 -7.987 1.00 0.00 O ATOM 321 CB VAL A 25 -3.688 2.157 -10.465 1.00 0.00 C ATOM 322 CG1 VAL A 25 -5.101 1.961 -9.913 1.00 0.00 C ATOM 323 CG2 VAL A 25 -3.724 2.517 -11.952 1.00 0.00 C ATOM 0 H VAL A 25 -1.325 2.806 -10.948 1.00 0.00 H new ATOM 0 HA VAL A 25 -3.570 4.096 -9.622 1.00 0.00 H new ATOM 0 HB VAL A 25 -3.155 1.212 -10.362 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -5.619 1.203 -10.501 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -5.044 1.638 -8.874 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -5.648 2.902 -9.971 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -4.270 1.748 -12.499 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -4.222 3.478 -12.082 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -2.706 2.582 -12.335 1.00 0.00 H new ATOM 333 N VAL A 26 -3.218 3.541 -7.292 1.00 0.00 N ATOM 334 CA VAL A 26 -3.039 3.251 -5.880 1.00 0.00 C ATOM 335 C VAL A 26 -4.365 2.764 -5.292 1.00 0.00 C ATOM 336 O VAL A 26 -5.399 3.406 -5.467 1.00 0.00 O ATOM 337 CB VAL A 26 -2.481 4.480 -5.160 1.00 0.00 C ATOM 338 CG1 VAL A 26 -2.325 4.214 -3.661 1.00 0.00 C ATOM 339 CG2 VAL A 26 -1.155 4.924 -5.780 1.00 0.00 C ATOM 0 H VAL A 26 -3.804 4.352 -7.490 1.00 0.00 H new ATOM 0 HA VAL A 26 -2.310 2.452 -5.743 1.00 0.00 H new ATOM 0 HB VAL A 26 -3.196 5.293 -5.283 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -1.927 5.104 -3.173 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -3.297 3.969 -3.232 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.640 3.380 -3.509 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -0.780 5.799 -5.249 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -0.429 4.115 -5.704 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.310 5.175 -6.829 1.00 0.00 H new ATOM 349 N PHE A 27 -4.291 1.632 -4.606 1.00 0.00 N ATOM 350 CA PHE A 27 -5.472 1.052 -3.991 1.00 0.00 C ATOM 351 C PHE A 27 -5.263 0.844 -2.490 1.00 0.00 C ATOM 352 O PHE A 27 -4.464 0.003 -2.082 1.00 0.00 O ATOM 353 CB PHE A 27 -5.700 -0.308 -4.655 1.00 0.00 C ATOM 354 CG PHE A 27 -6.685 -1.209 -3.907 1.00 0.00 C ATOM 355 CD1 PHE A 27 -6.238 -2.034 -2.922 1.00 0.00 C ATOM 356 CD2 PHE A 27 -8.006 -1.185 -4.227 1.00 0.00 C ATOM 357 CE1 PHE A 27 -7.152 -2.870 -2.228 1.00 0.00 C ATOM 358 CE2 PHE A 27 -8.920 -2.021 -3.533 1.00 0.00 C ATOM 359 CZ PHE A 27 -8.473 -2.846 -2.548 1.00 0.00 C ATOM 0 H PHE A 27 -3.431 1.102 -4.463 1.00 0.00 H new ATOM 0 HA PHE A 27 -6.325 1.718 -4.123 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -6.067 -0.149 -5.669 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -4.744 -0.824 -4.740 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -5.188 -2.053 -2.668 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -8.360 -0.530 -5.009 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -6.798 -3.525 -1.446 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -9.970 -2.002 -3.787 1.00 0.00 H new ATOM 0 HZ PHE A 27 -9.168 -3.482 -2.020 1.00 0.00 H new ATOM 369 N ILE A 28 -5.996 1.625 -1.709 1.00 0.00 N ATOM 370 CA ILE A 28 -5.900 1.537 -0.262 1.00 0.00 C ATOM 371 C ILE A 28 -6.694 0.323 0.224 1.00 0.00 C ATOM 372 O ILE A 28 -7.727 -0.018 -0.350 1.00 0.00 O ATOM 373 CB ILE A 28 -6.334 2.854 0.384 1.00 0.00 C ATOM 374 CG1 ILE A 28 -5.381 3.990 0.005 1.00 0.00 C ATOM 375 CG2 ILE A 28 -6.470 2.702 1.901 1.00 0.00 C ATOM 376 CD1 ILE A 28 -5.945 5.345 0.438 1.00 0.00 C ATOM 0 H ILE A 28 -6.658 2.321 -2.051 1.00 0.00 H new ATOM 0 HA ILE A 28 -4.865 1.385 0.043 1.00 0.00 H new ATOM 0 HB ILE A 28 -7.319 3.117 -0.003 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -4.411 3.828 0.476 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -5.217 3.988 -1.073 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -6.779 3.652 2.336 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -7.217 1.940 2.125 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -5.511 2.405 2.324 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -5.249 6.135 0.157 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -6.903 5.514 -0.053 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -6.085 5.352 1.519 1.00 0.00 H new ATOM 388 N LEU A 29 -6.182 -0.297 1.277 1.00 0.00 N ATOM 389 CA LEU A 29 -6.830 -1.465 1.847 1.00 0.00 C ATOM 390 C LEU A 29 -7.604 -1.053 3.101 1.00 0.00 C ATOM 391 O LEU A 29 -7.010 -0.827 4.155 1.00 0.00 O ATOM 392 CB LEU A 29 -5.809 -2.578 2.093 1.00 0.00 C ATOM 393 CG LEU A 29 -6.372 -3.904 2.609 1.00 0.00 C ATOM 394 CD1 LEU A 29 -7.104 -4.658 1.498 1.00 0.00 C ATOM 395 CD2 LEU A 29 -5.274 -4.753 3.252 1.00 0.00 C ATOM 0 H LEU A 29 -5.325 -0.012 1.751 1.00 0.00 H new ATOM 0 HA LEU A 29 -7.555 -1.878 1.146 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -5.279 -2.770 1.160 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -5.072 -2.216 2.810 1.00 0.00 H new ATOM 0 HG LEU A 29 -7.105 -3.685 3.386 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -7.494 -5.597 1.891 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -7.929 -4.049 1.127 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -6.412 -4.866 0.682 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -5.701 -5.690 3.610 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -4.500 -4.966 2.515 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -4.838 -4.209 4.090 1.00 0.00 H new ATOM 407 N GLU A 30 -8.917 -0.969 2.947 1.00 0.00 N ATOM 408 CA GLU A 30 -9.778 -0.588 4.053 1.00 0.00 C ATOM 409 C GLU A 30 -9.310 -1.260 5.346 1.00 0.00 C ATOM 410 O GLU A 30 -9.189 -0.607 6.381 1.00 0.00 O ATOM 411 CB GLU A 30 -11.238 -0.932 3.755 1.00 0.00 C ATOM 412 CG GLU A 30 -12.118 -0.701 4.985 1.00 0.00 C ATOM 413 CD GLU A 30 -12.280 -1.990 5.793 1.00 0.00 C ATOM 414 OE1 GLU A 30 -13.010 -2.878 5.305 1.00 0.00 O ATOM 415 OE2 GLU A 30 -11.669 -2.057 6.882 1.00 0.00 O ATOM 0 H GLU A 30 -9.406 -1.159 2.072 1.00 0.00 H new ATOM 0 HA GLU A 30 -9.713 0.492 4.183 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -11.597 -0.322 2.927 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -11.313 -1.973 3.440 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -11.676 0.073 5.613 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -13.097 -0.338 4.673 1.00 0.00 H new ATOM 422 N LYS A 31 -9.058 -2.557 5.243 1.00 0.00 N ATOM 423 CA LYS A 31 -8.606 -3.324 6.391 1.00 0.00 C ATOM 424 C LYS A 31 -7.605 -2.491 7.194 1.00 0.00 C ATOM 425 O LYS A 31 -6.682 -1.908 6.628 1.00 0.00 O ATOM 426 CB LYS A 31 -8.058 -4.682 5.946 1.00 0.00 C ATOM 427 CG LYS A 31 -9.175 -5.569 5.391 1.00 0.00 C ATOM 428 CD LYS A 31 -8.941 -5.884 3.912 1.00 0.00 C ATOM 429 CE LYS A 31 -10.162 -6.572 3.299 1.00 0.00 C ATOM 430 NZ LYS A 31 -10.332 -7.928 3.868 1.00 0.00 N ATOM 0 H LYS A 31 -9.158 -3.096 4.383 1.00 0.00 H new ATOM 0 HA LYS A 31 -9.442 -3.545 7.054 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -7.292 -4.537 5.185 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -7.579 -5.179 6.790 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -9.224 -6.497 5.961 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -10.136 -5.069 5.512 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -8.727 -4.963 3.370 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -8.066 -6.526 3.807 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -11.055 -5.977 3.488 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -10.045 -6.637 2.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -11.124 -8.407 3.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -9.460 -8.476 3.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -10.532 -7.855 4.886 1.00 0.00 H new ATOM 444 N LYS A 32 -7.822 -2.462 8.501 1.00 0.00 N ATOM 445 CA LYS A 32 -6.951 -1.709 9.387 1.00 0.00 C ATOM 446 C LYS A 32 -6.982 -0.231 8.993 1.00 0.00 C ATOM 447 O LYS A 32 -5.936 0.387 8.803 1.00 0.00 O ATOM 448 CB LYS A 32 -5.545 -2.313 9.397 1.00 0.00 C ATOM 449 CG LYS A 32 -5.568 -3.748 9.929 1.00 0.00 C ATOM 450 CD LYS A 32 -4.804 -3.854 11.250 1.00 0.00 C ATOM 451 CE LYS A 32 -5.759 -3.788 12.443 1.00 0.00 C ATOM 452 NZ LYS A 32 -5.003 -3.816 13.715 1.00 0.00 N ATOM 0 H LYS A 32 -8.588 -2.948 8.967 1.00 0.00 H new ATOM 0 HA LYS A 32 -7.308 -1.772 10.415 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -5.134 -2.302 8.388 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -4.887 -1.702 10.016 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -6.599 -4.070 10.074 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -5.125 -4.420 9.194 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -4.246 -4.790 11.277 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -4.075 -3.047 11.318 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -6.356 -2.878 12.388 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -6.453 -4.628 12.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -5.667 -3.770 14.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -4.452 -4.696 13.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -4.358 -3.001 13.754 1.00 0.00 H new ATOM 466 N MET A 33 -8.194 0.293 8.882 1.00 0.00 N ATOM 467 CA MET A 33 -8.376 1.687 8.514 1.00 0.00 C ATOM 468 C MET A 33 -9.861 2.055 8.476 1.00 0.00 C ATOM 469 O MET A 33 -10.339 2.809 9.322 1.00 0.00 O ATOM 470 CB MET A 33 -7.753 1.937 7.140 1.00 0.00 C ATOM 471 CG MET A 33 -7.631 3.436 6.858 1.00 0.00 C ATOM 472 SD MET A 33 -7.214 3.703 5.143 1.00 0.00 S ATOM 473 CE MET A 33 -5.626 2.891 5.080 1.00 0.00 C ATOM 0 H MET A 33 -9.060 -0.223 9.040 1.00 0.00 H new ATOM 0 HA MET A 33 -7.886 2.308 9.264 1.00 0.00 H new ATOM 0 HB2 MET A 33 -6.768 1.473 7.094 1.00 0.00 H new ATOM 0 HB3 MET A 33 -8.363 1.467 6.369 1.00 0.00 H new ATOM 0 HG2 MET A 33 -8.570 3.936 7.095 1.00 0.00 H new ATOM 0 HG3 MET A 33 -6.866 3.874 7.499 1.00 0.00 H new ATOM 0 HE1 MET A 33 -5.000 3.374 4.330 1.00 0.00 H new ATOM 0 HE2 MET A 33 -5.143 2.960 6.055 1.00 0.00 H new ATOM 0 HE3 MET A 33 -5.764 1.842 4.817 1.00 0.00 H new ATOM 483 N GLY A 34 -10.549 1.505 7.487 1.00 0.00 N ATOM 484 CA GLY A 34 -11.969 1.766 7.327 1.00 0.00 C ATOM 485 C GLY A 34 -12.265 2.373 5.954 1.00 0.00 C ATOM 486 O GLY A 34 -11.403 2.379 5.076 1.00 0.00 O ATOM 0 H GLY A 34 -10.149 0.879 6.788 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -12.528 0.838 7.446 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -12.308 2.445 8.109 1.00 0.00 H new ATOM 490 N THR A 35 -13.485 2.868 5.812 1.00 0.00 N ATOM 491 CA THR A 35 -13.905 3.476 4.561 1.00 0.00 C ATOM 492 C THR A 35 -13.537 4.961 4.539 1.00 0.00 C ATOM 493 O THR A 35 -12.855 5.421 3.625 1.00 0.00 O ATOM 494 CB THR A 35 -15.404 3.219 4.390 1.00 0.00 C ATOM 495 OG1 THR A 35 -15.482 1.838 4.049 1.00 0.00 O ATOM 496 CG2 THR A 35 -15.986 3.938 3.171 1.00 0.00 C ATOM 0 H THR A 35 -14.197 2.861 6.543 1.00 0.00 H new ATOM 0 HA THR A 35 -13.385 3.032 3.712 1.00 0.00 H new ATOM 0 HB THR A 35 -15.932 3.541 5.287 1.00 0.00 H new ATOM 0 HG1 THR A 35 -16.420 1.585 3.921 1.00 0.00 H new ATOM 0 HG21 THR A 35 -17.052 3.722 3.096 1.00 0.00 H new ATOM 0 HG22 THR A 35 -15.840 5.013 3.279 1.00 0.00 H new ATOM 0 HG23 THR A 35 -15.481 3.592 2.269 1.00 0.00 H new ATOM 504 N THR A 36 -14.004 5.668 5.557 1.00 0.00 N ATOM 505 CA THR A 36 -13.732 7.091 5.666 1.00 0.00 C ATOM 506 C THR A 36 -12.279 7.387 5.292 1.00 0.00 C ATOM 507 O THR A 36 -12.011 7.982 4.249 1.00 0.00 O ATOM 508 CB THR A 36 -14.097 7.535 7.084 1.00 0.00 C ATOM 509 OG1 THR A 36 -15.493 7.266 7.184 1.00 0.00 O ATOM 510 CG2 THR A 36 -13.995 9.050 7.268 1.00 0.00 C ATOM 0 H THR A 36 -14.569 5.282 6.314 1.00 0.00 H new ATOM 0 HA THR A 36 -14.338 7.664 4.964 1.00 0.00 H new ATOM 0 HB THR A 36 -13.442 7.038 7.799 1.00 0.00 H new ATOM 0 HG1 THR A 36 -15.813 7.523 8.074 1.00 0.00 H new ATOM 0 HG21 THR A 36 -14.265 9.311 8.291 1.00 0.00 H new ATOM 0 HG22 THR A 36 -12.973 9.373 7.068 1.00 0.00 H new ATOM 0 HG23 THR A 36 -14.674 9.547 6.576 1.00 0.00 H new ATOM 518 N ARG A 37 -11.378 6.957 6.163 1.00 0.00 N ATOM 519 CA ARG A 37 -9.958 7.169 5.938 1.00 0.00 C ATOM 520 C ARG A 37 -9.565 6.684 4.541 1.00 0.00 C ATOM 521 O ARG A 37 -9.102 7.469 3.715 1.00 0.00 O ATOM 522 CB ARG A 37 -9.118 6.429 6.981 1.00 0.00 C ATOM 523 CG ARG A 37 -8.627 7.387 8.069 1.00 0.00 C ATOM 524 CD ARG A 37 -7.134 7.192 8.337 1.00 0.00 C ATOM 525 NE ARG A 37 -6.635 8.267 9.224 1.00 0.00 N ATOM 526 CZ ARG A 37 -6.911 8.350 10.533 1.00 0.00 C ATOM 527 NH1 ARG A 37 -7.684 7.423 11.114 1.00 0.00 N ATOM 528 NH2 ARG A 37 -6.414 9.361 11.259 1.00 0.00 N ATOM 0 H ARG A 37 -11.604 6.463 7.026 1.00 0.00 H new ATOM 0 HA ARG A 37 -9.765 8.238 6.024 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -9.710 5.633 7.432 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -8.264 5.955 6.496 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -8.814 8.417 7.764 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -9.190 7.220 8.987 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -6.963 6.219 8.799 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -6.583 7.200 7.397 1.00 0.00 H new ATOM 0 HE ARG A 37 -6.044 8.990 8.813 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -8.062 6.654 10.560 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -7.894 7.486 12.110 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -5.826 10.067 10.815 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -6.624 9.425 12.255 1.00 0.00 H new ATOM 542 N ARG A 38 -9.764 5.393 4.319 1.00 0.00 N ATOM 543 CA ARG A 38 -9.436 4.795 3.036 1.00 0.00 C ATOM 544 C ARG A 38 -9.872 5.715 1.894 1.00 0.00 C ATOM 545 O ARG A 38 -9.045 6.163 1.103 1.00 0.00 O ATOM 546 CB ARG A 38 -10.116 3.434 2.873 1.00 0.00 C ATOM 547 CG ARG A 38 -9.894 2.875 1.467 1.00 0.00 C ATOM 548 CD ARG A 38 -10.530 1.491 1.320 1.00 0.00 C ATOM 549 NE ARG A 38 -10.930 1.264 -0.087 1.00 0.00 N ATOM 550 CZ ARG A 38 -12.100 1.658 -0.608 1.00 0.00 C ATOM 551 NH1 ARG A 38 -12.992 2.300 0.158 1.00 0.00 N ATOM 552 NH2 ARG A 38 -12.378 1.409 -1.895 1.00 0.00 N ATOM 0 H ARG A 38 -10.148 4.744 5.006 1.00 0.00 H new ATOM 0 HA ARG A 38 -8.356 4.655 3.002 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -9.722 2.736 3.612 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -11.185 3.532 3.065 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -10.321 3.555 0.730 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -8.825 2.812 1.262 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -9.824 0.722 1.635 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -11.400 1.411 1.972 1.00 0.00 H new ATOM 0 HE ARG A 38 -10.274 0.777 -0.698 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -12.781 2.489 1.138 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -13.883 2.600 -0.239 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -11.699 0.920 -2.478 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -13.269 1.709 -2.292 1.00 0.00 H new ATOM 566 N ALA A 39 -11.172 5.969 1.845 1.00 0.00 N ATOM 567 CA ALA A 39 -11.728 6.828 0.813 1.00 0.00 C ATOM 568 C ALA A 39 -11.025 8.186 0.853 1.00 0.00 C ATOM 569 O ALA A 39 -10.633 8.717 -0.186 1.00 0.00 O ATOM 570 CB ALA A 39 -13.241 6.948 1.009 1.00 0.00 C ATOM 0 H ALA A 39 -11.856 5.595 2.503 1.00 0.00 H new ATOM 0 HA ALA A 39 -11.561 6.399 -0.175 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -13.658 7.592 0.235 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -13.696 5.960 0.943 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -13.448 7.378 1.989 1.00 0.00 H new ATOM 576 N LEU A 40 -10.887 8.710 2.062 1.00 0.00 N ATOM 577 CA LEU A 40 -10.238 9.997 2.250 1.00 0.00 C ATOM 578 C LEU A 40 -8.852 9.963 1.605 1.00 0.00 C ATOM 579 O LEU A 40 -8.633 10.580 0.563 1.00 0.00 O ATOM 580 CB LEU A 40 -10.218 10.374 3.732 1.00 0.00 C ATOM 581 CG LEU A 40 -9.683 11.770 4.062 1.00 0.00 C ATOM 582 CD1 LEU A 40 -9.763 12.690 2.842 1.00 0.00 C ATOM 583 CD2 LEU A 40 -10.404 12.361 5.275 1.00 0.00 C ATOM 0 H LEU A 40 -11.213 8.267 2.921 1.00 0.00 H new ATOM 0 HA LEU A 40 -10.802 10.785 1.752 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -11.233 10.294 4.121 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.614 9.640 4.265 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.630 11.679 4.327 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -9.377 13.675 3.103 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -9.168 12.271 2.030 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -10.801 12.780 2.522 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -10.005 13.353 5.488 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -11.470 12.437 5.063 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -10.251 11.715 6.140 1.00 0.00 H new ATOM 595 N LEU A 41 -7.951 9.237 2.250 1.00 0.00 N ATOM 596 CA LEU A 41 -6.592 9.114 1.752 1.00 0.00 C ATOM 597 C LEU A 41 -6.627 8.863 0.243 1.00 0.00 C ATOM 598 O LEU A 41 -5.859 9.462 -0.508 1.00 0.00 O ATOM 599 CB LEU A 41 -5.828 8.046 2.536 1.00 0.00 C ATOM 600 CG LEU A 41 -5.441 8.414 3.970 1.00 0.00 C ATOM 601 CD1 LEU A 41 -4.999 7.177 4.754 1.00 0.00 C ATOM 602 CD2 LEU A 41 -4.377 9.513 3.986 1.00 0.00 C ATOM 0 H LEU A 41 -8.136 8.728 3.114 1.00 0.00 H new ATOM 0 HA LEU A 41 -6.044 10.043 1.908 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -6.435 7.141 2.566 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.919 7.802 1.987 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.324 8.813 4.470 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.730 7.467 5.770 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -5.816 6.456 4.787 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -4.136 6.725 4.265 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.120 9.756 5.017 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.487 9.165 3.462 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -4.765 10.403 3.490 1.00 0.00 H new ATOM 614 N MET A 42 -7.525 7.974 -0.156 1.00 0.00 N ATOM 615 CA MET A 42 -7.670 7.636 -1.561 1.00 0.00 C ATOM 616 C MET A 42 -8.000 8.877 -2.393 1.00 0.00 C ATOM 617 O MET A 42 -7.438 9.075 -3.469 1.00 0.00 O ATOM 618 CB MET A 42 -8.784 6.600 -1.725 1.00 0.00 C ATOM 619 CG MET A 42 -8.242 5.180 -1.556 1.00 0.00 C ATOM 620 SD MET A 42 -9.210 4.037 -2.527 1.00 0.00 S ATOM 621 CE MET A 42 -10.855 4.593 -2.111 1.00 0.00 C ATOM 0 H MET A 42 -8.159 7.478 0.470 1.00 0.00 H new ATOM 0 HA MET A 42 -6.725 7.225 -1.916 1.00 0.00 H new ATOM 0 HB2 MET A 42 -9.567 6.784 -0.990 1.00 0.00 H new ATOM 0 HB3 MET A 42 -9.240 6.704 -2.710 1.00 0.00 H new ATOM 0 HG2 MET A 42 -7.198 5.141 -1.867 1.00 0.00 H new ATOM 0 HG3 MET A 42 -8.272 4.893 -0.505 1.00 0.00 H new ATOM 0 HE1 MET A 42 -11.584 3.853 -2.442 1.00 0.00 H new ATOM 0 HE2 MET A 42 -10.933 4.722 -1.031 1.00 0.00 H new ATOM 0 HE3 MET A 42 -11.053 5.544 -2.605 1.00 0.00 H new ATOM 631 N GLU A 43 -8.911 9.680 -1.863 1.00 0.00 N ATOM 632 CA GLU A 43 -9.322 10.897 -2.543 1.00 0.00 C ATOM 633 C GLU A 43 -8.178 11.912 -2.552 1.00 0.00 C ATOM 634 O GLU A 43 -7.981 12.621 -3.538 1.00 0.00 O ATOM 635 CB GLU A 43 -10.576 11.489 -1.896 1.00 0.00 C ATOM 636 CG GLU A 43 -10.584 13.014 -2.011 1.00 0.00 C ATOM 637 CD GLU A 43 -11.964 13.583 -1.671 1.00 0.00 C ATOM 638 OE1 GLU A 43 -12.777 13.699 -2.613 1.00 0.00 O ATOM 639 OE2 GLU A 43 -12.173 13.887 -0.477 1.00 0.00 O ATOM 0 H GLU A 43 -9.376 9.512 -0.971 1.00 0.00 H new ATOM 0 HA GLU A 43 -9.569 10.648 -3.575 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -11.465 11.080 -2.376 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -10.619 11.200 -0.846 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -9.837 13.437 -1.339 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -10.305 13.307 -3.023 1.00 0.00 H new ATOM 646 N LEU A 44 -7.455 11.951 -1.443 1.00 0.00 N ATOM 647 CA LEU A 44 -6.336 12.868 -1.311 1.00 0.00 C ATOM 648 C LEU A 44 -5.333 12.608 -2.437 1.00 0.00 C ATOM 649 O LEU A 44 -4.862 13.543 -3.083 1.00 0.00 O ATOM 650 CB LEU A 44 -5.727 12.773 0.089 1.00 0.00 C ATOM 651 CG LEU A 44 -6.654 13.136 1.250 1.00 0.00 C ATOM 652 CD1 LEU A 44 -5.885 13.846 2.366 1.00 0.00 C ATOM 653 CD2 LEU A 44 -7.847 13.960 0.762 1.00 0.00 C ATOM 0 H LEU A 44 -7.622 11.362 -0.627 1.00 0.00 H new ATOM 0 HA LEU A 44 -6.674 13.899 -1.417 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -5.370 11.754 0.240 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -4.855 13.425 0.129 1.00 0.00 H new ATOM 0 HG LEU A 44 -7.051 12.212 1.671 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -6.568 14.093 3.179 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -5.098 13.191 2.740 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -5.440 14.761 1.976 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -8.490 14.205 1.607 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -7.489 14.880 0.300 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -8.413 13.383 0.031 1.00 0.00 H new ATOM 665 N ALA A 45 -5.035 11.333 -2.638 1.00 0.00 N ATOM 666 CA ALA A 45 -4.097 10.938 -3.675 1.00 0.00 C ATOM 667 C ALA A 45 -4.605 11.430 -5.031 1.00 0.00 C ATOM 668 O ALA A 45 -3.856 12.035 -5.796 1.00 0.00 O ATOM 669 CB ALA A 45 -3.907 9.420 -3.640 1.00 0.00 C ATOM 0 H ALA A 45 -5.427 10.560 -2.100 1.00 0.00 H new ATOM 0 HA ALA A 45 -3.122 11.393 -3.503 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -3.203 9.123 -4.418 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -3.517 9.124 -2.666 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -4.865 8.929 -3.811 1.00 0.00 H new ATOM 675 N ARG A 46 -5.875 11.154 -5.288 1.00 0.00 N ATOM 676 CA ARG A 46 -6.492 11.561 -6.538 1.00 0.00 C ATOM 677 C ARG A 46 -6.217 13.042 -6.808 1.00 0.00 C ATOM 678 O ARG A 46 -5.818 13.412 -7.912 1.00 0.00 O ATOM 679 CB ARG A 46 -8.004 11.328 -6.509 1.00 0.00 C ATOM 680 CG ARG A 46 -8.344 9.884 -6.883 1.00 0.00 C ATOM 681 CD ARG A 46 -9.852 9.705 -7.066 1.00 0.00 C ATOM 682 NE ARG A 46 -10.356 8.674 -6.132 1.00 0.00 N ATOM 683 CZ ARG A 46 -11.551 8.078 -6.245 1.00 0.00 C ATOM 684 NH1 ARG A 46 -12.371 8.406 -7.252 1.00 0.00 N ATOM 685 NH2 ARG A 46 -11.925 7.153 -5.350 1.00 0.00 N ATOM 0 H ARG A 46 -6.494 10.653 -4.651 1.00 0.00 H new ATOM 0 HA ARG A 46 -6.058 10.955 -7.334 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -8.391 11.550 -5.514 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -8.494 12.012 -7.202 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -7.828 9.612 -7.804 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -7.986 9.209 -6.105 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -10.363 10.651 -6.887 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -10.070 9.414 -8.094 1.00 0.00 H new ATOM 0 HE ARG A 46 -9.757 8.400 -5.354 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -12.086 9.110 -7.933 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -13.280 7.952 -7.338 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -11.300 6.903 -4.583 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -12.834 6.699 -5.435 1.00 0.00 H new ATOM 699 N ARG A 47 -6.440 13.849 -5.782 1.00 0.00 N ATOM 700 CA ARG A 47 -6.221 15.281 -5.895 1.00 0.00 C ATOM 701 C ARG A 47 -4.792 15.564 -6.363 1.00 0.00 C ATOM 702 O ARG A 47 -4.509 16.640 -6.888 1.00 0.00 O ATOM 703 CB ARG A 47 -6.459 15.982 -4.555 1.00 0.00 C ATOM 704 CG ARG A 47 -7.913 15.824 -4.105 1.00 0.00 C ATOM 705 CD ARG A 47 -8.072 16.187 -2.627 1.00 0.00 C ATOM 706 NE ARG A 47 -9.226 17.096 -2.450 1.00 0.00 N ATOM 707 CZ ARG A 47 -9.515 17.729 -1.305 1.00 0.00 C ATOM 708 NH1 ARG A 47 -8.736 17.555 -0.229 1.00 0.00 N ATOM 709 NH2 ARG A 47 -10.583 18.536 -1.237 1.00 0.00 N ATOM 0 H ARG A 47 -6.770 13.539 -4.868 1.00 0.00 H new ATOM 0 HA ARG A 47 -6.930 15.668 -6.626 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -5.793 15.565 -3.799 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -6.215 17.041 -4.646 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -8.556 16.462 -4.711 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -8.238 14.796 -4.268 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -8.217 15.283 -2.036 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -7.163 16.665 -2.262 1.00 0.00 H new ATOM 0 HE ARG A 47 -9.840 17.250 -3.250 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -7.923 16.941 -0.282 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -8.956 18.037 0.643 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -11.175 18.668 -2.057 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -10.803 19.018 -0.366 1.00 0.00 H new ATOM 723 N LYS A 48 -3.930 14.580 -6.156 1.00 0.00 N ATOM 724 CA LYS A 48 -2.537 14.710 -6.551 1.00 0.00 C ATOM 725 C LYS A 48 -2.383 14.278 -8.011 1.00 0.00 C ATOM 726 O LYS A 48 -1.437 14.682 -8.685 1.00 0.00 O ATOM 727 CB LYS A 48 -1.633 13.943 -5.585 1.00 0.00 C ATOM 728 CG LYS A 48 -1.878 14.382 -4.139 1.00 0.00 C ATOM 729 CD LYS A 48 -1.361 15.802 -3.902 1.00 0.00 C ATOM 730 CE LYS A 48 -1.283 16.115 -2.407 1.00 0.00 C ATOM 731 NZ LYS A 48 -0.806 17.499 -2.191 1.00 0.00 N ATOM 0 H LYS A 48 -4.169 13.689 -5.720 1.00 0.00 H new ATOM 0 HA LYS A 48 -2.219 15.751 -6.491 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -1.818 12.873 -5.680 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -0.589 14.111 -5.848 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -2.944 14.338 -3.917 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -1.382 13.692 -3.457 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -0.375 15.914 -4.352 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -2.019 16.519 -4.393 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -2.265 15.987 -1.951 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -0.610 15.412 -1.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -0.759 17.695 -1.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 0.140 17.609 -2.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -1.463 18.167 -2.642 1.00 0.00 H new ATOM 745 N GLY A 49 -3.328 13.463 -8.456 1.00 0.00 N ATOM 746 CA GLY A 49 -3.309 12.972 -9.824 1.00 0.00 C ATOM 747 C GLY A 49 -3.174 11.448 -9.858 1.00 0.00 C ATOM 748 O GLY A 49 -3.060 10.855 -10.929 1.00 0.00 O ATOM 0 H GLY A 49 -4.112 13.130 -7.894 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -4.225 13.271 -10.334 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -2.479 13.426 -10.366 1.00 0.00 H new ATOM 752 N PHE A 50 -3.192 10.858 -8.672 1.00 0.00 N ATOM 753 CA PHE A 50 -3.073 9.415 -8.552 1.00 0.00 C ATOM 754 C PHE A 50 -4.392 8.725 -8.906 1.00 0.00 C ATOM 755 O PHE A 50 -5.450 9.108 -8.410 1.00 0.00 O ATOM 756 CB PHE A 50 -2.729 9.114 -7.092 1.00 0.00 C ATOM 757 CG PHE A 50 -1.233 9.181 -6.778 1.00 0.00 C ATOM 758 CD1 PHE A 50 -0.350 8.463 -7.522 1.00 0.00 C ATOM 759 CD2 PHE A 50 -0.787 9.957 -5.754 1.00 0.00 C ATOM 760 CE1 PHE A 50 1.039 8.525 -7.231 1.00 0.00 C ATOM 761 CE2 PHE A 50 0.601 10.019 -5.463 1.00 0.00 C ATOM 762 CZ PHE A 50 1.485 9.302 -6.207 1.00 0.00 C ATOM 0 H PHE A 50 -3.287 11.353 -7.785 1.00 0.00 H new ATOM 0 HA PHE A 50 -2.307 9.047 -9.234 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -3.256 9.822 -6.452 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -3.098 8.120 -6.840 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -0.705 7.846 -8.334 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -1.489 10.526 -5.162 1.00 0.00 H new ATOM 0 HE1 PHE A 50 1.741 7.956 -7.822 1.00 0.00 H new ATOM 0 HE2 PHE A 50 0.955 10.636 -4.650 1.00 0.00 H new ATOM 0 HZ PHE A 50 2.541 9.349 -5.985 1.00 0.00 H new ATOM 772 N ARG A 51 -4.285 7.718 -9.761 1.00 0.00 N ATOM 773 CA ARG A 51 -5.456 6.971 -10.187 1.00 0.00 C ATOM 774 C ARG A 51 -5.867 5.967 -9.108 1.00 0.00 C ATOM 775 O ARG A 51 -5.550 4.782 -9.205 1.00 0.00 O ATOM 776 CB ARG A 51 -5.186 6.222 -11.494 1.00 0.00 C ATOM 777 CG ARG A 51 -6.477 5.632 -12.065 1.00 0.00 C ATOM 778 CD ARG A 51 -6.196 4.815 -13.327 1.00 0.00 C ATOM 779 NE ARG A 51 -7.087 5.254 -14.424 1.00 0.00 N ATOM 780 CZ ARG A 51 -8.425 5.216 -14.365 1.00 0.00 C ATOM 781 NH1 ARG A 51 -9.035 4.759 -13.263 1.00 0.00 N ATOM 782 NH2 ARG A 51 -9.154 5.635 -15.408 1.00 0.00 N ATOM 0 H ARG A 51 -3.406 7.402 -10.170 1.00 0.00 H new ATOM 0 HA ARG A 51 -6.263 7.685 -10.350 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -4.740 6.901 -12.221 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -4.464 5.424 -11.318 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -6.954 4.999 -11.317 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -7.177 6.435 -12.296 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -5.154 4.936 -13.624 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -6.349 3.755 -13.125 1.00 0.00 H new ATOM 0 HE ARG A 51 -6.656 5.607 -15.278 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -8.481 4.440 -12.468 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -10.054 4.730 -13.219 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -8.690 5.983 -16.247 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -10.173 5.606 -15.363 1.00 0.00 H new ATOM 796 N VAL A 52 -6.565 6.478 -8.105 1.00 0.00 N ATOM 797 CA VAL A 52 -7.023 5.641 -7.009 1.00 0.00 C ATOM 798 C VAL A 52 -8.275 4.877 -7.444 1.00 0.00 C ATOM 799 O VAL A 52 -8.994 5.316 -8.340 1.00 0.00 O ATOM 800 CB VAL A 52 -7.247 6.493 -5.758 1.00 0.00 C ATOM 801 CG1 VAL A 52 -7.721 5.632 -4.586 1.00 0.00 C ATOM 802 CG2 VAL A 52 -5.982 7.271 -5.390 1.00 0.00 C ATOM 0 H VAL A 52 -6.825 7.461 -8.028 1.00 0.00 H new ATOM 0 HA VAL A 52 -6.265 4.902 -6.751 1.00 0.00 H new ATOM 0 HB VAL A 52 -8.031 7.216 -5.982 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -7.873 6.262 -3.710 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -8.660 5.144 -4.849 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -6.969 4.875 -4.363 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -6.169 7.868 -4.497 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.169 6.572 -5.195 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -5.706 7.928 -6.215 1.00 0.00 H new ATOM 812 N GLU A 53 -8.497 3.746 -6.790 1.00 0.00 N ATOM 813 CA GLU A 53 -9.649 2.917 -7.098 1.00 0.00 C ATOM 814 C GLU A 53 -10.383 2.530 -5.813 1.00 0.00 C ATOM 815 O GLU A 53 -9.777 2.455 -4.746 1.00 0.00 O ATOM 816 CB GLU A 53 -9.235 1.674 -7.889 1.00 0.00 C ATOM 817 CG GLU A 53 -8.470 2.061 -9.156 1.00 0.00 C ATOM 818 CD GLU A 53 -9.432 2.471 -10.273 1.00 0.00 C ATOM 819 OE1 GLU A 53 -10.290 1.631 -10.620 1.00 0.00 O ATOM 820 OE2 GLU A 53 -9.287 3.615 -10.755 1.00 0.00 O ATOM 0 H GLU A 53 -7.898 3.385 -6.048 1.00 0.00 H new ATOM 0 HA GLU A 53 -10.331 3.494 -7.723 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -8.612 1.032 -7.266 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -10.120 1.097 -8.156 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -7.789 2.884 -8.937 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -7.859 1.221 -9.487 1.00 0.00 H new ATOM 827 N ASN A 54 -11.679 2.294 -5.958 1.00 0.00 N ATOM 828 CA ASN A 54 -12.502 1.916 -4.821 1.00 0.00 C ATOM 829 C ASN A 54 -12.530 0.391 -4.702 1.00 0.00 C ATOM 830 O ASN A 54 -13.073 -0.150 -3.740 1.00 0.00 O ATOM 831 CB ASN A 54 -13.942 2.402 -4.999 1.00 0.00 C ATOM 832 CG ASN A 54 -14.186 3.693 -4.215 1.00 0.00 C ATOM 833 OD1 ASN A 54 -13.901 4.789 -4.669 1.00 0.00 O ATOM 834 ND2 ASN A 54 -14.726 3.503 -3.015 1.00 0.00 N ATOM 0 H ASN A 54 -12.179 2.357 -6.845 1.00 0.00 H new ATOM 0 HA ASN A 54 -12.074 2.372 -3.928 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -14.144 2.571 -6.057 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -14.634 1.631 -4.661 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -14.926 4.302 -2.414 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -14.940 2.558 -2.696 1.00 0.00 H new ATOM 841 N GLU A 55 -11.936 -0.260 -5.692 1.00 0.00 N ATOM 842 CA GLU A 55 -11.886 -1.712 -5.710 1.00 0.00 C ATOM 843 C GLU A 55 -10.676 -2.191 -6.515 1.00 0.00 C ATOM 844 O GLU A 55 -10.266 -1.538 -7.473 1.00 0.00 O ATOM 845 CB GLU A 55 -13.184 -2.299 -6.268 1.00 0.00 C ATOM 846 CG GLU A 55 -14.365 -1.995 -5.344 1.00 0.00 C ATOM 847 CD GLU A 55 -15.510 -2.983 -5.575 1.00 0.00 C ATOM 848 OE1 GLU A 55 -16.316 -2.714 -6.491 1.00 0.00 O ATOM 849 OE2 GLU A 55 -15.553 -3.986 -4.830 1.00 0.00 O ATOM 0 H GLU A 55 -11.485 0.192 -6.488 1.00 0.00 H new ATOM 0 HA GLU A 55 -11.779 -2.065 -4.684 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -13.377 -1.887 -7.259 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -13.078 -3.377 -6.386 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -14.041 -2.045 -4.305 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -14.716 -0.978 -5.519 1.00 0.00 H new ATOM 856 N LEU A 56 -10.140 -3.328 -6.096 1.00 0.00 N ATOM 857 CA LEU A 56 -8.985 -3.902 -6.767 1.00 0.00 C ATOM 858 C LEU A 56 -9.311 -4.108 -8.247 1.00 0.00 C ATOM 859 O LEU A 56 -10.393 -4.585 -8.588 1.00 0.00 O ATOM 860 CB LEU A 56 -8.531 -5.177 -6.053 1.00 0.00 C ATOM 861 CG LEU A 56 -7.020 -5.353 -5.892 1.00 0.00 C ATOM 862 CD1 LEU A 56 -6.681 -6.762 -5.401 1.00 0.00 C ATOM 863 CD2 LEU A 56 -6.286 -5.006 -7.189 1.00 0.00 C ATOM 0 H LEU A 56 -10.483 -3.867 -5.301 1.00 0.00 H new ATOM 0 HA LEU A 56 -8.137 -3.219 -6.720 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -8.987 -5.197 -5.063 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -8.920 -6.035 -6.601 1.00 0.00 H new ATOM 0 HG LEU A 56 -6.674 -4.655 -5.130 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -5.601 -6.860 -5.295 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -7.158 -6.936 -4.436 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -7.043 -7.495 -6.122 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -5.214 -5.140 -7.047 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -6.631 -5.662 -7.989 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -6.490 -3.969 -7.456 1.00 0.00 H new ATOM 875 N SER A 57 -8.356 -3.739 -9.088 1.00 0.00 N ATOM 876 CA SER A 57 -8.528 -3.877 -10.524 1.00 0.00 C ATOM 877 C SER A 57 -7.180 -4.170 -11.186 1.00 0.00 C ATOM 878 O SER A 57 -6.129 -3.899 -10.609 1.00 0.00 O ATOM 879 CB SER A 57 -9.154 -2.619 -11.128 1.00 0.00 C ATOM 880 OG SER A 57 -8.624 -1.429 -10.549 1.00 0.00 O ATOM 0 H SER A 57 -7.460 -3.344 -8.802 1.00 0.00 H new ATOM 0 HA SER A 57 -9.206 -4.711 -10.709 1.00 0.00 H new ATOM 0 HB2 SER A 57 -8.979 -2.608 -12.204 1.00 0.00 H new ATOM 0 HB3 SER A 57 -10.234 -2.644 -10.980 1.00 0.00 H new ATOM 0 HG SER A 57 -9.047 -0.648 -10.962 1.00 0.00 H new ATOM 886 N ASP A 58 -7.256 -4.721 -12.389 1.00 0.00 N ATOM 887 CA ASP A 58 -6.055 -5.054 -13.136 1.00 0.00 C ATOM 888 C ASP A 58 -5.239 -3.782 -13.375 1.00 0.00 C ATOM 889 O ASP A 58 -4.064 -3.851 -13.734 1.00 0.00 O ATOM 890 CB ASP A 58 -6.403 -5.655 -14.499 1.00 0.00 C ATOM 891 CG ASP A 58 -6.555 -4.641 -15.634 1.00 0.00 C ATOM 892 OD1 ASP A 58 -7.232 -3.618 -15.393 1.00 0.00 O ATOM 893 OD2 ASP A 58 -5.991 -4.911 -16.716 1.00 0.00 O ATOM 0 H ASP A 58 -8.130 -4.945 -12.864 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.488 -5.781 -12.555 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.627 -6.370 -14.773 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -7.334 -6.215 -14.405 1.00 0.00 H new ATOM 898 N SER A 59 -5.894 -2.649 -13.167 1.00 0.00 N ATOM 899 CA SER A 59 -5.244 -1.363 -13.356 1.00 0.00 C ATOM 900 C SER A 59 -4.455 -0.987 -12.100 1.00 0.00 C ATOM 901 O SER A 59 -3.646 -0.060 -12.126 1.00 0.00 O ATOM 902 CB SER A 59 -6.266 -0.273 -13.687 1.00 0.00 C ATOM 903 OG SER A 59 -6.677 -0.324 -15.050 1.00 0.00 O ATOM 0 H SER A 59 -6.868 -2.595 -12.869 1.00 0.00 H new ATOM 0 HA SER A 59 -4.557 -1.447 -14.198 1.00 0.00 H new ATOM 0 HB2 SER A 59 -7.137 -0.384 -13.041 1.00 0.00 H new ATOM 0 HB3 SER A 59 -5.835 0.705 -13.475 1.00 0.00 H new ATOM 0 HG SER A 59 -6.861 -1.253 -15.302 1.00 0.00 H new ATOM 909 N VAL A 60 -4.717 -1.725 -11.032 1.00 0.00 N ATOM 910 CA VAL A 60 -4.041 -1.480 -9.769 1.00 0.00 C ATOM 911 C VAL A 60 -2.596 -1.974 -9.865 1.00 0.00 C ATOM 912 O VAL A 60 -2.354 -3.168 -10.033 1.00 0.00 O ATOM 913 CB VAL A 60 -4.820 -2.130 -8.624 1.00 0.00 C ATOM 914 CG1 VAL A 60 -4.015 -2.095 -7.323 1.00 0.00 C ATOM 915 CG2 VAL A 60 -6.185 -1.464 -8.441 1.00 0.00 C ATOM 0 H VAL A 60 -5.388 -2.493 -11.015 1.00 0.00 H new ATOM 0 HA VAL A 60 -4.006 -0.412 -9.555 1.00 0.00 H new ATOM 0 HB VAL A 60 -4.989 -3.175 -8.886 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.592 -2.563 -6.526 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.079 -2.636 -7.460 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.800 -1.060 -7.056 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -6.718 -1.945 -7.621 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -6.047 -0.407 -8.213 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.765 -1.564 -9.359 1.00 0.00 H new ATOM 925 N THR A 61 -1.673 -1.030 -9.754 1.00 0.00 N ATOM 926 CA THR A 61 -0.259 -1.354 -9.826 1.00 0.00 C ATOM 927 C THR A 61 0.391 -1.218 -8.448 1.00 0.00 C ATOM 928 O THR A 61 1.462 -1.771 -8.205 1.00 0.00 O ATOM 929 CB THR A 61 0.378 -0.456 -10.889 1.00 0.00 C ATOM 930 OG1 THR A 61 0.243 0.860 -10.359 1.00 0.00 O ATOM 931 CG2 THR A 61 -0.431 -0.420 -12.187 1.00 0.00 C ATOM 0 H THR A 61 -1.877 -0.040 -9.615 1.00 0.00 H new ATOM 0 HA THR A 61 -0.106 -2.392 -10.121 1.00 0.00 H new ATOM 0 HB THR A 61 1.388 -0.806 -11.101 1.00 0.00 H new ATOM 0 HG1 THR A 61 0.429 0.846 -9.397 1.00 0.00 H new ATOM 0 HG21 THR A 61 0.065 0.231 -12.907 1.00 0.00 H new ATOM 0 HG22 THR A 61 -0.504 -1.427 -12.598 1.00 0.00 H new ATOM 0 HG23 THR A 61 -1.431 -0.039 -11.982 1.00 0.00 H new ATOM 939 N HIS A 62 -0.286 -0.479 -7.581 1.00 0.00 N ATOM 940 CA HIS A 62 0.212 -0.263 -6.233 1.00 0.00 C ATOM 941 C HIS A 62 -0.945 -0.363 -5.237 1.00 0.00 C ATOM 942 O HIS A 62 -1.955 0.324 -5.382 1.00 0.00 O ATOM 943 CB HIS A 62 0.964 1.066 -6.137 1.00 0.00 C ATOM 944 CG HIS A 62 1.826 1.372 -7.339 1.00 0.00 C ATOM 945 ND1 HIS A 62 1.349 2.035 -8.455 1.00 0.00 N ATOM 946 CD2 HIS A 62 3.139 1.098 -7.586 1.00 0.00 C ATOM 947 CE1 HIS A 62 2.338 2.150 -9.329 1.00 0.00 C ATOM 948 NE2 HIS A 62 3.447 1.568 -8.788 1.00 0.00 N ATOM 0 H HIS A 62 -1.175 -0.022 -7.786 1.00 0.00 H new ATOM 0 HA HIS A 62 0.933 -1.040 -5.979 1.00 0.00 H new ATOM 0 HB2 HIS A 62 0.242 1.872 -6.006 1.00 0.00 H new ATOM 0 HB3 HIS A 62 1.592 1.053 -5.246 1.00 0.00 H new ATOM 0 HD2 HIS A 62 3.814 0.585 -6.917 1.00 0.00 H new ATOM 0 HE1 HIS A 62 2.277 2.621 -10.299 1.00 0.00 H new ATOM 0 HE2 HIS A 62 4.362 1.505 -9.234 1.00 0.00 H new ATOM 956 N ILE A 63 -0.759 -1.223 -4.247 1.00 0.00 N ATOM 957 CA ILE A 63 -1.774 -1.422 -3.227 1.00 0.00 C ATOM 958 C ILE A 63 -1.244 -0.922 -1.881 1.00 0.00 C ATOM 959 O ILE A 63 -0.137 -1.274 -1.477 1.00 0.00 O ATOM 960 CB ILE A 63 -2.232 -2.881 -3.203 1.00 0.00 C ATOM 961 CG1 ILE A 63 -3.159 -3.184 -4.382 1.00 0.00 C ATOM 962 CG2 ILE A 63 -2.878 -3.232 -1.861 1.00 0.00 C ATOM 963 CD1 ILE A 63 -3.473 -4.680 -4.462 1.00 0.00 C ATOM 0 H ILE A 63 0.080 -1.790 -4.129 1.00 0.00 H new ATOM 0 HA ILE A 63 -2.664 -0.837 -3.457 1.00 0.00 H new ATOM 0 HB ILE A 63 -1.353 -3.516 -3.313 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -4.085 -2.619 -4.275 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -2.691 -2.857 -5.311 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -3.194 -4.275 -1.871 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -2.156 -3.080 -1.059 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -3.744 -2.592 -1.696 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -4.134 -4.868 -5.308 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -2.547 -5.240 -4.593 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -3.963 -4.999 -3.542 1.00 0.00 H new ATOM 975 N VAL A 64 -2.059 -0.109 -1.225 1.00 0.00 N ATOM 976 CA VAL A 64 -1.686 0.443 0.066 1.00 0.00 C ATOM 977 C VAL A 64 -2.428 -0.312 1.172 1.00 0.00 C ATOM 978 O VAL A 64 -3.596 -0.662 1.013 1.00 0.00 O ATOM 979 CB VAL A 64 -1.953 1.949 0.088 1.00 0.00 C ATOM 980 CG1 VAL A 64 -1.714 2.528 1.484 1.00 0.00 C ATOM 981 CG2 VAL A 64 -1.102 2.672 -0.958 1.00 0.00 C ATOM 0 H VAL A 64 -2.976 0.181 -1.564 1.00 0.00 H new ATOM 0 HA VAL A 64 -0.618 0.313 0.243 1.00 0.00 H new ATOM 0 HB VAL A 64 -3.001 2.107 -0.165 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -1.911 3.600 1.472 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -2.381 2.045 2.198 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -0.679 2.352 1.778 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -1.311 3.741 -0.921 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -0.046 2.501 -0.749 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -1.342 2.289 -1.950 1.00 0.00 H new ATOM 991 N ALA A 65 -1.718 -0.540 2.267 1.00 0.00 N ATOM 992 CA ALA A 65 -2.294 -1.246 3.398 1.00 0.00 C ATOM 993 C ALA A 65 -1.665 -0.726 4.693 1.00 0.00 C ATOM 994 O ALA A 65 -0.450 -0.797 4.869 1.00 0.00 O ATOM 995 CB ALA A 65 -2.092 -2.752 3.217 1.00 0.00 C ATOM 0 H ALA A 65 -0.749 -0.248 2.395 1.00 0.00 H new ATOM 0 HA ALA A 65 -3.367 -1.065 3.456 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -2.524 -3.282 4.066 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -2.582 -3.077 2.299 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -1.026 -2.972 3.157 1.00 0.00 H new ATOM 1001 N GLU A 66 -2.521 -0.215 5.565 1.00 0.00 N ATOM 1002 CA GLU A 66 -2.065 0.317 6.838 1.00 0.00 C ATOM 1003 C GLU A 66 -2.072 -0.780 7.904 1.00 0.00 C ATOM 1004 O GLU A 66 -3.089 -1.440 8.115 1.00 0.00 O ATOM 1005 CB GLU A 66 -2.920 1.510 7.272 1.00 0.00 C ATOM 1006 CG GLU A 66 -3.234 1.444 8.767 1.00 0.00 C ATOM 1007 CD GLU A 66 -4.090 2.636 9.201 1.00 0.00 C ATOM 1008 OE1 GLU A 66 -5.200 2.770 8.644 1.00 0.00 O ATOM 1009 OE2 GLU A 66 -3.613 3.386 10.080 1.00 0.00 O ATOM 0 H GLU A 66 -3.528 -0.158 5.415 1.00 0.00 H new ATOM 0 HA GLU A 66 -1.042 0.672 6.716 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -2.395 2.439 7.048 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -3.849 1.523 6.702 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -3.758 0.515 8.991 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -2.305 1.432 9.337 1.00 0.00 H new ATOM 1016 N ASN A 67 -0.926 -0.940 8.550 1.00 0.00 N ATOM 1017 CA ASN A 67 -0.788 -1.945 9.590 1.00 0.00 C ATOM 1018 C ASN A 67 -1.048 -3.330 8.993 1.00 0.00 C ATOM 1019 O ASN A 67 -1.788 -4.128 9.566 1.00 0.00 O ATOM 1020 CB ASN A 67 -1.800 -1.718 10.714 1.00 0.00 C ATOM 1021 CG ASN A 67 -1.322 -0.622 11.669 1.00 0.00 C ATOM 1022 OD1 ASN A 67 -0.230 -0.669 12.211 1.00 0.00 O ATOM 1023 ND2 ASN A 67 -2.197 0.363 11.844 1.00 0.00 N ATOM 0 H ASN A 67 -0.085 -0.391 8.373 1.00 0.00 H new ATOM 0 HA ASN A 67 0.222 -1.874 9.994 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -2.764 -1.440 10.289 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -1.950 -2.646 11.266 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -1.971 1.142 12.463 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -3.094 0.340 11.359 1.00 0.00 H new ATOM 1030 N ASN A 68 -0.425 -3.572 7.849 1.00 0.00 N ATOM 1031 CA ASN A 68 -0.580 -4.846 7.168 1.00 0.00 C ATOM 1032 C ASN A 68 0.742 -5.225 6.497 1.00 0.00 C ATOM 1033 O ASN A 68 1.388 -4.386 5.873 1.00 0.00 O ATOM 1034 CB ASN A 68 -1.654 -4.763 6.081 1.00 0.00 C ATOM 1035 CG ASN A 68 -3.055 -4.885 6.684 1.00 0.00 C ATOM 1036 OD1 ASN A 68 -3.506 -5.954 7.061 1.00 0.00 O ATOM 1037 ND2 ASN A 68 -3.716 -3.733 6.754 1.00 0.00 N ATOM 0 H ASN A 68 0.188 -2.908 7.377 1.00 0.00 H new ATOM 0 HA ASN A 68 -0.873 -5.590 7.909 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -1.565 -3.816 5.548 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -1.499 -5.556 5.350 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -4.659 -3.709 7.141 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -3.280 -2.874 6.420 1.00 0.00 H new ATOM 1044 N SER A 69 1.104 -6.491 6.650 1.00 0.00 N ATOM 1045 CA SER A 69 2.337 -6.991 6.067 1.00 0.00 C ATOM 1046 C SER A 69 2.072 -7.521 4.656 1.00 0.00 C ATOM 1047 O SER A 69 0.969 -7.975 4.357 1.00 0.00 O ATOM 1048 CB SER A 69 2.953 -8.088 6.939 1.00 0.00 C ATOM 1049 OG SER A 69 3.005 -7.712 8.312 1.00 0.00 O ATOM 0 H SER A 69 0.565 -7.184 7.169 1.00 0.00 H new ATOM 0 HA SER A 69 3.048 -6.166 6.011 1.00 0.00 H new ATOM 0 HB2 SER A 69 2.370 -9.003 6.836 1.00 0.00 H new ATOM 0 HB3 SER A 69 3.960 -8.310 6.585 1.00 0.00 H new ATOM 0 HG SER A 69 3.403 -8.439 8.835 1.00 0.00 H new ATOM 1055 N GLY A 70 3.103 -7.445 3.827 1.00 0.00 N ATOM 1056 CA GLY A 70 2.995 -7.911 2.455 1.00 0.00 C ATOM 1057 C GLY A 70 2.222 -9.229 2.383 1.00 0.00 C ATOM 1058 O GLY A 70 1.474 -9.464 1.435 1.00 0.00 O ATOM 0 H GLY A 70 4.017 -7.068 4.079 1.00 0.00 H new ATOM 0 HA2 GLY A 70 2.492 -7.157 1.850 1.00 0.00 H new ATOM 0 HA3 GLY A 70 3.991 -8.046 2.034 1.00 0.00 H new ATOM 1062 N SER A 71 2.429 -10.056 3.397 1.00 0.00 N ATOM 1063 CA SER A 71 1.761 -11.345 3.461 1.00 0.00 C ATOM 1064 C SER A 71 0.255 -11.145 3.636 1.00 0.00 C ATOM 1065 O SER A 71 -0.544 -11.790 2.958 1.00 0.00 O ATOM 1066 CB SER A 71 2.320 -12.199 4.600 1.00 0.00 C ATOM 1067 OG SER A 71 2.080 -11.611 5.876 1.00 0.00 O ATOM 0 H SER A 71 3.050 -9.858 4.181 1.00 0.00 H new ATOM 0 HA SER A 71 1.944 -11.873 2.525 1.00 0.00 H new ATOM 0 HB2 SER A 71 1.867 -13.190 4.566 1.00 0.00 H new ATOM 0 HB3 SER A 71 3.392 -12.334 4.459 1.00 0.00 H new ATOM 0 HG SER A 71 2.450 -12.187 6.577 1.00 0.00 H new ATOM 1073 N ASP A 72 -0.089 -10.249 4.550 1.00 0.00 N ATOM 1074 CA ASP A 72 -1.485 -9.956 4.823 1.00 0.00 C ATOM 1075 C ASP A 72 -2.175 -9.525 3.527 1.00 0.00 C ATOM 1076 O ASP A 72 -3.237 -10.040 3.183 1.00 0.00 O ATOM 1077 CB ASP A 72 -1.622 -8.816 5.834 1.00 0.00 C ATOM 1078 CG ASP A 72 -2.103 -9.237 7.223 1.00 0.00 C ATOM 1079 OD1 ASP A 72 -1.304 -9.893 7.926 1.00 0.00 O ATOM 1080 OD2 ASP A 72 -3.260 -8.895 7.551 1.00 0.00 O ATOM 0 H ASP A 72 0.576 -9.716 5.111 1.00 0.00 H new ATOM 0 HA ASP A 72 -1.944 -10.856 5.231 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -0.655 -8.322 5.935 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -2.317 -8.078 5.434 1.00 0.00 H new ATOM 1085 N VAL A 73 -1.542 -8.583 2.843 1.00 0.00 N ATOM 1086 CA VAL A 73 -2.080 -8.076 1.593 1.00 0.00 C ATOM 1087 C VAL A 73 -2.085 -9.198 0.552 1.00 0.00 C ATOM 1088 O VAL A 73 -3.080 -9.400 -0.143 1.00 0.00 O ATOM 1089 CB VAL A 73 -1.289 -6.846 1.142 1.00 0.00 C ATOM 1090 CG1 VAL A 73 -1.936 -6.196 -0.083 1.00 0.00 C ATOM 1091 CG2 VAL A 73 -1.143 -5.839 2.284 1.00 0.00 C ATOM 0 H VAL A 73 -0.661 -8.158 3.132 1.00 0.00 H new ATOM 0 HA VAL A 73 -3.112 -7.751 1.726 1.00 0.00 H new ATOM 0 HB VAL A 73 -0.290 -7.177 0.857 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -1.354 -5.324 -0.383 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -1.964 -6.913 -0.903 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -2.952 -5.887 0.163 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -0.577 -4.975 1.937 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -2.131 -5.517 2.614 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -0.617 -6.307 3.116 1.00 0.00 H new ATOM 1101 N LEU A 74 -0.963 -9.898 0.479 1.00 0.00 N ATOM 1102 CA LEU A 74 -0.826 -10.994 -0.465 1.00 0.00 C ATOM 1103 C LEU A 74 -1.953 -12.003 -0.235 1.00 0.00 C ATOM 1104 O LEU A 74 -2.767 -12.243 -1.126 1.00 0.00 O ATOM 1105 CB LEU A 74 0.574 -11.605 -0.377 1.00 0.00 C ATOM 1106 CG LEU A 74 1.614 -11.043 -1.348 1.00 0.00 C ATOM 1107 CD1 LEU A 74 3.020 -11.522 -0.984 1.00 0.00 C ATOM 1108 CD2 LEU A 74 1.251 -11.379 -2.795 1.00 0.00 C ATOM 0 H LEU A 74 -0.141 -9.728 1.058 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.926 -10.631 -1.488 1.00 0.00 H new ATOM 0 HB2 LEU A 74 0.944 -11.470 0.639 1.00 0.00 H new ATOM 0 HB3 LEU A 74 0.491 -12.679 -0.546 1.00 0.00 H new ATOM 0 HG LEU A 74 1.611 -9.957 -1.259 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.740 -11.108 -1.690 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.268 -11.189 0.024 1.00 0.00 H new ATOM 0 HD13 LEU A 74 3.056 -12.611 -1.026 1.00 0.00 H new ATOM 0 HD21 LEU A 74 2.007 -10.968 -3.465 1.00 0.00 H new ATOM 0 HD22 LEU A 74 1.208 -12.461 -2.917 1.00 0.00 H new ATOM 0 HD23 LEU A 74 0.279 -10.948 -3.036 1.00 0.00 H new ATOM 1120 N GLU A 75 -1.963 -12.568 0.963 1.00 0.00 N ATOM 1121 CA GLU A 75 -2.977 -13.545 1.321 1.00 0.00 C ATOM 1122 C GLU A 75 -4.354 -13.084 0.839 1.00 0.00 C ATOM 1123 O GLU A 75 -5.140 -13.885 0.336 1.00 0.00 O ATOM 1124 CB GLU A 75 -2.982 -13.803 2.829 1.00 0.00 C ATOM 1125 CG GLU A 75 -1.642 -14.379 3.292 1.00 0.00 C ATOM 1126 CD GLU A 75 -1.841 -15.703 4.032 1.00 0.00 C ATOM 1127 OE1 GLU A 75 -2.186 -15.637 5.232 1.00 0.00 O ATOM 1128 OE2 GLU A 75 -1.645 -16.752 3.382 1.00 0.00 O ATOM 0 H GLU A 75 -1.285 -12.368 1.698 1.00 0.00 H new ATOM 0 HA GLU A 75 -2.737 -14.486 0.825 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -3.185 -12.873 3.360 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -3.786 -14.495 3.080 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -0.992 -14.534 2.431 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -1.141 -13.665 3.946 1.00 0.00 H new ATOM 1135 N TRP A 76 -4.603 -11.794 1.009 1.00 0.00 N ATOM 1136 CA TRP A 76 -5.871 -11.216 0.598 1.00 0.00 C ATOM 1137 C TRP A 76 -5.895 -11.169 -0.931 1.00 0.00 C ATOM 1138 O TRP A 76 -6.883 -11.559 -1.552 1.00 0.00 O ATOM 1139 CB TRP A 76 -6.083 -9.844 1.241 1.00 0.00 C ATOM 1140 CG TRP A 76 -7.138 -8.985 0.542 1.00 0.00 C ATOM 1141 CD1 TRP A 76 -8.456 -8.939 0.781 1.00 0.00 C ATOM 1142 CD2 TRP A 76 -6.909 -8.044 -0.528 1.00 0.00 C ATOM 1143 NE1 TRP A 76 -9.090 -8.041 -0.053 1.00 0.00 N ATOM 1144 CE2 TRP A 76 -8.120 -7.479 -0.874 1.00 0.00 C ATOM 1145 CE3 TRP A 76 -5.718 -7.682 -1.182 1.00 0.00 C ATOM 1146 CZ2 TRP A 76 -8.257 -6.519 -1.884 1.00 0.00 C ATOM 1147 CZ3 TRP A 76 -5.873 -6.722 -2.189 1.00 0.00 C ATOM 1148 CH2 TRP A 76 -7.084 -6.143 -2.550 1.00 0.00 C ATOM 0 H TRP A 76 -3.948 -11.133 1.426 1.00 0.00 H new ATOM 0 HA TRP A 76 -6.704 -11.830 0.941 1.00 0.00 H new ATOM 0 HB2 TRP A 76 -6.374 -9.983 2.282 1.00 0.00 H new ATOM 0 HB3 TRP A 76 -5.135 -9.306 1.245 1.00 0.00 H new ATOM 0 HD1 TRP A 76 -8.959 -9.530 1.532 1.00 0.00 H new ATOM 0 HE1 TRP A 76 -10.088 -7.829 -0.065 1.00 0.00 H new ATOM 0 HE3 TRP A 76 -4.760 -8.111 -0.928 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 -9.216 -6.091 -2.136 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 -4.988 -6.409 -2.724 1.00 0.00 H new ATOM 0 HH2 TRP A 76 -7.120 -5.407 -3.340 1.00 0.00 H new ATOM 1159 N LEU A 77 -4.796 -10.688 -1.494 1.00 0.00 N ATOM 1160 CA LEU A 77 -4.679 -10.585 -2.939 1.00 0.00 C ATOM 1161 C LEU A 77 -5.115 -11.906 -3.577 1.00 0.00 C ATOM 1162 O LEU A 77 -6.049 -11.934 -4.377 1.00 0.00 O ATOM 1163 CB LEU A 77 -3.266 -10.150 -3.332 1.00 0.00 C ATOM 1164 CG LEU A 77 -3.172 -9.099 -4.441 1.00 0.00 C ATOM 1165 CD1 LEU A 77 -4.411 -9.136 -5.338 1.00 0.00 C ATOM 1166 CD2 LEU A 77 -2.929 -7.706 -3.856 1.00 0.00 C ATOM 0 H LEU A 77 -3.979 -10.365 -0.976 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.344 -9.811 -3.321 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.768 -9.759 -2.445 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.710 -11.033 -3.647 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.314 -9.339 -5.068 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -4.319 -8.380 -6.117 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -4.499 -10.121 -5.797 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -5.299 -8.934 -4.740 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -2.866 -6.978 -4.665 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.752 -7.441 -3.192 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.995 -7.705 -3.294 1.00 0.00 H new ATOM 1178 N GLN A 78 -4.418 -12.967 -3.199 1.00 0.00 N ATOM 1179 CA GLN A 78 -4.722 -14.288 -3.724 1.00 0.00 C ATOM 1180 C GLN A 78 -6.180 -14.651 -3.437 1.00 0.00 C ATOM 1181 O GLN A 78 -6.798 -15.397 -4.194 1.00 0.00 O ATOM 1182 CB GLN A 78 -3.771 -15.339 -3.149 1.00 0.00 C ATOM 1183 CG GLN A 78 -2.345 -15.130 -3.665 1.00 0.00 C ATOM 1184 CD GLN A 78 -1.667 -16.470 -3.959 1.00 0.00 C ATOM 1185 OE1 GLN A 78 -2.257 -17.532 -3.845 1.00 0.00 O ATOM 1186 NE2 GLN A 78 -0.399 -16.361 -4.344 1.00 0.00 N ATOM 0 H GLN A 78 -3.644 -12.939 -2.536 1.00 0.00 H new ATOM 0 HA GLN A 78 -4.579 -14.270 -4.804 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -3.779 -15.285 -2.060 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -4.118 -16.336 -3.421 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -2.367 -14.523 -4.570 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -1.764 -14.579 -2.926 1.00 0.00 H new ATOM 0 HE21 GLN A 78 0.034 -15.440 -4.419 1.00 0.00 H new ATOM 0 HE22 GLN A 78 0.141 -17.198 -4.565 1.00 0.00 H new ATOM 1195 N ALA A 79 -6.686 -14.107 -2.340 1.00 0.00 N ATOM 1196 CA ALA A 79 -8.060 -14.365 -1.942 1.00 0.00 C ATOM 1197 C ALA A 79 -9.008 -13.636 -2.897 1.00 0.00 C ATOM 1198 O ALA A 79 -10.073 -14.151 -3.233 1.00 0.00 O ATOM 1199 CB ALA A 79 -8.259 -13.939 -0.486 1.00 0.00 C ATOM 0 H ALA A 79 -6.170 -13.489 -1.714 1.00 0.00 H new ATOM 0 HA ALA A 79 -8.284 -15.430 -2.003 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -9.289 -14.133 -0.188 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -7.583 -14.506 0.155 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -8.046 -12.875 -0.386 1.00 0.00 H new ATOM 1205 N GLN A 80 -8.586 -12.449 -3.308 1.00 0.00 N ATOM 1206 CA GLN A 80 -9.384 -11.645 -4.218 1.00 0.00 C ATOM 1207 C GLN A 80 -9.433 -12.299 -5.600 1.00 0.00 C ATOM 1208 O GLN A 80 -8.477 -12.950 -6.017 1.00 0.00 O ATOM 1209 CB GLN A 80 -8.842 -10.217 -4.305 1.00 0.00 C ATOM 1210 CG GLN A 80 -8.793 -9.563 -2.923 1.00 0.00 C ATOM 1211 CD GLN A 80 -9.998 -9.979 -2.077 1.00 0.00 C ATOM 1212 OE1 GLN A 80 -11.086 -9.438 -2.191 1.00 0.00 O ATOM 1213 NE2 GLN A 80 -9.745 -10.967 -1.224 1.00 0.00 N ATOM 0 H GLN A 80 -7.702 -12.025 -3.027 1.00 0.00 H new ATOM 0 HA GLN A 80 -10.400 -11.590 -3.828 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -7.843 -10.230 -4.741 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -9.472 -9.625 -4.969 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -7.872 -9.847 -2.415 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -8.776 -8.478 -3.030 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -8.812 -11.376 -1.179 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -10.484 -11.316 -0.614 1.00 0.00 H new ATOM 1222 N LYS A 81 -10.558 -12.102 -6.273 1.00 0.00 N ATOM 1223 CA LYS A 81 -10.744 -12.664 -7.599 1.00 0.00 C ATOM 1224 C LYS A 81 -10.268 -11.656 -8.647 1.00 0.00 C ATOM 1225 O LYS A 81 -9.948 -12.031 -9.774 1.00 0.00 O ATOM 1226 CB LYS A 81 -12.194 -13.113 -7.792 1.00 0.00 C ATOM 1227 CG LYS A 81 -12.760 -12.587 -9.113 1.00 0.00 C ATOM 1228 CD LYS A 81 -13.177 -11.121 -8.986 1.00 0.00 C ATOM 1229 CE LYS A 81 -13.147 -10.422 -10.347 1.00 0.00 C ATOM 1230 NZ LYS A 81 -14.513 -10.024 -10.754 1.00 0.00 N ATOM 0 H LYS A 81 -11.349 -11.561 -5.924 1.00 0.00 H new ATOM 0 HA LYS A 81 -10.138 -13.561 -7.721 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -12.246 -14.202 -7.778 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -12.803 -12.754 -6.963 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -12.012 -12.689 -9.899 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -13.619 -13.189 -9.410 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -14.180 -11.060 -8.564 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -12.509 -10.608 -8.295 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -12.505 -9.543 -10.297 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -12.717 -11.088 -11.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -14.476 -9.551 -11.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -15.115 -10.869 -10.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -14.909 -9.372 -10.048 1.00 0.00 H new ATOM 1244 N VAL A 82 -10.236 -10.396 -8.238 1.00 0.00 N ATOM 1245 CA VAL A 82 -9.805 -9.331 -9.128 1.00 0.00 C ATOM 1246 C VAL A 82 -8.564 -9.788 -9.898 1.00 0.00 C ATOM 1247 O VAL A 82 -7.482 -9.905 -9.326 1.00 0.00 O ATOM 1248 CB VAL A 82 -9.574 -8.045 -8.331 1.00 0.00 C ATOM 1249 CG1 VAL A 82 -8.693 -8.308 -7.109 1.00 0.00 C ATOM 1250 CG2 VAL A 82 -8.973 -6.952 -9.217 1.00 0.00 C ATOM 0 H VAL A 82 -10.501 -10.089 -7.302 1.00 0.00 H new ATOM 0 HA VAL A 82 -10.580 -9.108 -9.862 1.00 0.00 H new ATOM 0 HB VAL A 82 -10.542 -7.692 -7.975 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -8.545 -7.378 -6.560 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -9.178 -9.038 -6.461 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -7.727 -8.696 -7.433 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -8.819 -6.049 -8.627 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -8.018 -7.292 -9.617 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -9.654 -6.735 -10.040 1.00 0.00 H new ATOM 1260 N GLN A 83 -8.763 -10.033 -11.185 1.00 0.00 N ATOM 1261 CA GLN A 83 -7.674 -10.474 -12.040 1.00 0.00 C ATOM 1262 C GLN A 83 -6.703 -9.320 -12.300 1.00 0.00 C ATOM 1263 O GLN A 83 -7.089 -8.292 -12.853 1.00 0.00 O ATOM 1264 CB GLN A 83 -8.207 -11.048 -13.354 1.00 0.00 C ATOM 1265 CG GLN A 83 -8.917 -9.971 -14.176 1.00 0.00 C ATOM 1266 CD GLN A 83 -9.887 -10.598 -15.180 1.00 0.00 C ATOM 1267 OE1 GLN A 83 -9.496 -11.193 -16.171 1.00 0.00 O ATOM 1268 NE2 GLN A 83 -11.169 -10.431 -14.870 1.00 0.00 N ATOM 0 H GLN A 83 -9.662 -9.934 -11.656 1.00 0.00 H new ATOM 0 HA GLN A 83 -7.134 -11.269 -11.527 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -7.384 -11.468 -13.932 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -8.898 -11.865 -13.144 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -9.460 -9.300 -13.511 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -8.180 -9.367 -14.705 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -11.427 -9.922 -14.025 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -11.894 -10.812 -15.478 1.00 0.00 H new ATOM 1277 N VAL A 84 -5.461 -9.530 -11.887 1.00 0.00 N ATOM 1278 CA VAL A 84 -4.432 -8.521 -12.069 1.00 0.00 C ATOM 1279 C VAL A 84 -3.376 -9.045 -13.044 1.00 0.00 C ATOM 1280 O VAL A 84 -2.699 -10.031 -12.760 1.00 0.00 O ATOM 1281 CB VAL A 84 -3.847 -8.121 -10.713 1.00 0.00 C ATOM 1282 CG1 VAL A 84 -4.487 -6.829 -10.200 1.00 0.00 C ATOM 1283 CG2 VAL A 84 -4.002 -9.252 -9.694 1.00 0.00 C ATOM 0 H VAL A 84 -5.145 -10.384 -11.427 1.00 0.00 H new ATOM 0 HA VAL A 84 -4.857 -7.617 -12.505 1.00 0.00 H new ATOM 0 HB VAL A 84 -2.781 -7.936 -10.849 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -4.054 -6.567 -9.235 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -4.302 -6.024 -10.911 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -5.561 -6.975 -10.088 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -3.578 -8.942 -8.739 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -5.059 -9.482 -9.564 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -3.479 -10.139 -10.052 1.00 0.00 H new ATOM 1293 N SER A 85 -3.269 -8.361 -14.174 1.00 0.00 N ATOM 1294 CA SER A 85 -2.307 -8.745 -15.193 1.00 0.00 C ATOM 1295 C SER A 85 -0.944 -9.011 -14.552 1.00 0.00 C ATOM 1296 O SER A 85 -0.207 -9.892 -14.993 1.00 0.00 O ATOM 1297 CB SER A 85 -2.185 -7.666 -16.270 1.00 0.00 C ATOM 1298 OG SER A 85 -1.009 -7.828 -17.058 1.00 0.00 O ATOM 0 H SER A 85 -3.833 -7.543 -14.406 1.00 0.00 H new ATOM 0 HA SER A 85 -2.661 -9.658 -15.671 1.00 0.00 H new ATOM 0 HB2 SER A 85 -3.062 -7.699 -16.917 1.00 0.00 H new ATOM 0 HB3 SER A 85 -2.173 -6.683 -15.799 1.00 0.00 H new ATOM 0 HG SER A 85 -0.969 -7.121 -17.735 1.00 0.00 H new ATOM 1304 N SER A 86 -0.649 -8.234 -13.520 1.00 0.00 N ATOM 1305 CA SER A 86 0.613 -8.375 -12.814 1.00 0.00 C ATOM 1306 C SER A 86 0.462 -7.888 -11.371 1.00 0.00 C ATOM 1307 O SER A 86 0.030 -6.761 -11.134 1.00 0.00 O ATOM 1308 CB SER A 86 1.729 -7.602 -13.520 1.00 0.00 C ATOM 1309 OG SER A 86 1.694 -7.786 -14.933 1.00 0.00 O ATOM 0 H SER A 86 -1.262 -7.505 -13.156 1.00 0.00 H new ATOM 0 HA SER A 86 0.886 -9.430 -12.809 1.00 0.00 H new ATOM 0 HB2 SER A 86 1.636 -6.541 -13.290 1.00 0.00 H new ATOM 0 HB3 SER A 86 2.695 -7.928 -13.136 1.00 0.00 H new ATOM 0 HG SER A 86 2.421 -7.276 -15.347 1.00 0.00 H new ATOM 1315 N GLN A 87 0.827 -8.762 -10.444 1.00 0.00 N ATOM 1316 CA GLN A 87 0.738 -8.436 -9.031 1.00 0.00 C ATOM 1317 C GLN A 87 1.131 -6.976 -8.798 1.00 0.00 C ATOM 1318 O GLN A 87 2.166 -6.522 -9.284 1.00 0.00 O ATOM 1319 CB GLN A 87 1.606 -9.378 -8.195 1.00 0.00 C ATOM 1320 CG GLN A 87 0.857 -9.851 -6.948 1.00 0.00 C ATOM 1321 CD GLN A 87 1.573 -11.035 -6.294 1.00 0.00 C ATOM 1322 OE1 GLN A 87 2.653 -10.910 -5.740 1.00 0.00 O ATOM 1323 NE2 GLN A 87 0.915 -12.186 -6.390 1.00 0.00 N ATOM 0 H GLN A 87 1.185 -9.696 -10.644 1.00 0.00 H new ATOM 0 HA GLN A 87 -0.296 -8.569 -8.712 1.00 0.00 H new ATOM 0 HB2 GLN A 87 1.898 -10.239 -8.796 1.00 0.00 H new ATOM 0 HB3 GLN A 87 2.523 -8.868 -7.901 1.00 0.00 H new ATOM 0 HG2 GLN A 87 0.777 -9.031 -6.235 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -0.159 -10.140 -7.217 1.00 0.00 H new ATOM 0 HE21 GLN A 87 0.014 -12.220 -6.868 1.00 0.00 H new ATOM 0 HE22 GLN A 87 1.311 -13.035 -5.986 1.00 0.00 H new ATOM 1332 N PRO A 88 0.262 -6.261 -8.034 1.00 0.00 N ATOM 1333 CA PRO A 88 0.508 -4.862 -7.730 1.00 0.00 C ATOM 1334 C PRO A 88 1.608 -4.715 -6.677 1.00 0.00 C ATOM 1335 O PRO A 88 2.068 -5.706 -6.112 1.00 0.00 O ATOM 1336 CB PRO A 88 -0.834 -4.318 -7.268 1.00 0.00 C ATOM 1337 CG PRO A 88 -1.667 -5.531 -6.886 1.00 0.00 C ATOM 1338 CD PRO A 88 -0.974 -6.765 -7.442 1.00 0.00 C ATOM 0 HA PRO A 88 0.874 -4.302 -8.591 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -0.711 -3.646 -6.419 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -1.317 -3.746 -8.060 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -1.763 -5.602 -5.803 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -2.675 -5.444 -7.290 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -0.769 -7.492 -6.656 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -1.594 -7.266 -8.186 1.00 0.00 H new ATOM 1346 N GLU A 89 1.998 -3.470 -6.445 1.00 0.00 N ATOM 1347 CA GLU A 89 3.035 -3.180 -5.469 1.00 0.00 C ATOM 1348 C GLU A 89 2.420 -2.985 -4.082 1.00 0.00 C ATOM 1349 O GLU A 89 1.589 -2.098 -3.887 1.00 0.00 O ATOM 1350 CB GLU A 89 3.851 -1.955 -5.885 1.00 0.00 C ATOM 1351 CG GLU A 89 5.002 -2.351 -6.811 1.00 0.00 C ATOM 1352 CD GLU A 89 4.881 -1.651 -8.167 1.00 0.00 C ATOM 1353 OE1 GLU A 89 3.916 -1.980 -8.890 1.00 0.00 O ATOM 1354 OE2 GLU A 89 5.755 -0.804 -8.448 1.00 0.00 O ATOM 0 H GLU A 89 1.615 -2.651 -6.916 1.00 0.00 H new ATOM 0 HA GLU A 89 3.715 -4.031 -5.426 1.00 0.00 H new ATOM 0 HB2 GLU A 89 3.204 -1.237 -6.390 1.00 0.00 H new ATOM 0 HB3 GLU A 89 4.247 -1.459 -4.999 1.00 0.00 H new ATOM 0 HG2 GLU A 89 5.953 -2.090 -6.347 1.00 0.00 H new ATOM 0 HG3 GLU A 89 5.003 -3.432 -6.954 1.00 0.00 H new ATOM 1361 N LEU A 90 2.851 -3.827 -3.155 1.00 0.00 N ATOM 1362 CA LEU A 90 2.352 -3.758 -1.791 1.00 0.00 C ATOM 1363 C LEU A 90 3.211 -2.778 -0.988 1.00 0.00 C ATOM 1364 O LEU A 90 4.389 -3.035 -0.745 1.00 0.00 O ATOM 1365 CB LEU A 90 2.278 -5.157 -1.177 1.00 0.00 C ATOM 1366 CG LEU A 90 1.101 -6.026 -1.627 1.00 0.00 C ATOM 1367 CD1 LEU A 90 0.648 -5.645 -3.038 1.00 0.00 C ATOM 1368 CD2 LEU A 90 1.444 -7.513 -1.517 1.00 0.00 C ATOM 0 H LEU A 90 3.540 -4.561 -3.321 1.00 0.00 H new ATOM 0 HA LEU A 90 1.332 -3.374 -1.777 1.00 0.00 H new ATOM 0 HB2 LEU A 90 3.203 -5.684 -1.410 1.00 0.00 H new ATOM 0 HB3 LEU A 90 2.235 -5.054 -0.093 1.00 0.00 H new ATOM 0 HG LEU A 90 0.262 -5.839 -0.957 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -0.189 -6.277 -3.334 1.00 0.00 H new ATOM 0 HD12 LEU A 90 0.337 -4.601 -3.051 1.00 0.00 H new ATOM 0 HD13 LEU A 90 1.474 -5.786 -3.736 1.00 0.00 H new ATOM 0 HD21 LEU A 90 0.591 -8.108 -1.843 1.00 0.00 H new ATOM 0 HD22 LEU A 90 2.304 -7.736 -2.148 1.00 0.00 H new ATOM 0 HD23 LEU A 90 1.682 -7.756 -0.481 1.00 0.00 H new ATOM 1380 N LEU A 91 2.587 -1.676 -0.599 1.00 0.00 N ATOM 1381 CA LEU A 91 3.279 -0.657 0.171 1.00 0.00 C ATOM 1382 C LEU A 91 2.434 -0.285 1.391 1.00 0.00 C ATOM 1383 O LEU A 91 1.256 -0.630 1.463 1.00 0.00 O ATOM 1384 CB LEU A 91 3.636 0.536 -0.717 1.00 0.00 C ATOM 1385 CG LEU A 91 4.038 0.205 -2.156 1.00 0.00 C ATOM 1386 CD1 LEU A 91 3.537 1.277 -3.126 1.00 0.00 C ATOM 1387 CD2 LEU A 91 5.549 -0.008 -2.268 1.00 0.00 C ATOM 0 H LEU A 91 1.610 -1.467 -0.803 1.00 0.00 H new ATOM 0 HA LEU A 91 4.228 -1.041 0.545 1.00 0.00 H new ATOM 0 HB2 LEU A 91 2.781 1.211 -0.746 1.00 0.00 H new ATOM 0 HB3 LEU A 91 4.456 1.080 -0.248 1.00 0.00 H new ATOM 0 HG LEU A 91 3.559 -0.733 -2.437 1.00 0.00 H new ATOM 0 HD11 LEU A 91 3.836 1.017 -4.141 1.00 0.00 H new ATOM 0 HD12 LEU A 91 2.450 1.337 -3.072 1.00 0.00 H new ATOM 0 HD13 LEU A 91 3.967 2.241 -2.856 1.00 0.00 H new ATOM 0 HD21 LEU A 91 5.808 -0.242 -3.301 1.00 0.00 H new ATOM 0 HD22 LEU A 91 6.068 0.900 -1.960 1.00 0.00 H new ATOM 0 HD23 LEU A 91 5.849 -0.834 -1.623 1.00 0.00 H new ATOM 1399 N ASP A 92 3.069 0.415 2.320 1.00 0.00 N ATOM 1400 CA ASP A 92 2.391 0.838 3.533 1.00 0.00 C ATOM 1401 C ASP A 92 1.796 2.231 3.320 1.00 0.00 C ATOM 1402 O ASP A 92 2.285 2.999 2.493 1.00 0.00 O ATOM 1403 CB ASP A 92 3.364 0.914 4.711 1.00 0.00 C ATOM 1404 CG ASP A 92 2.809 0.405 6.043 1.00 0.00 C ATOM 1405 OD1 ASP A 92 1.595 0.604 6.265 1.00 0.00 O ATOM 1406 OD2 ASP A 92 3.612 -0.171 6.809 1.00 0.00 O ATOM 0 H ASP A 92 4.046 0.700 2.257 1.00 0.00 H new ATOM 0 HA ASP A 92 1.613 0.108 3.756 1.00 0.00 H new ATOM 0 HB2 ASP A 92 4.256 0.339 4.463 1.00 0.00 H new ATOM 0 HB3 ASP A 92 3.677 1.950 4.838 1.00 0.00 H new ATOM 1411 N VAL A 93 0.750 2.516 4.082 1.00 0.00 N ATOM 1412 CA VAL A 93 0.083 3.804 3.987 1.00 0.00 C ATOM 1413 C VAL A 93 1.132 4.918 3.997 1.00 0.00 C ATOM 1414 O VAL A 93 0.977 5.927 3.311 1.00 0.00 O ATOM 1415 CB VAL A 93 -0.948 3.943 5.109 1.00 0.00 C ATOM 1416 CG1 VAL A 93 -2.211 3.140 4.795 1.00 0.00 C ATOM 1417 CG2 VAL A 93 -0.353 3.526 6.455 1.00 0.00 C ATOM 0 H VAL A 93 0.348 1.877 4.768 1.00 0.00 H new ATOM 0 HA VAL A 93 -0.466 3.882 3.048 1.00 0.00 H new ATOM 0 HB VAL A 93 -1.228 4.994 5.178 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -2.927 3.256 5.608 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -2.653 3.504 3.868 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -1.954 2.086 4.685 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -1.107 3.634 7.235 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -0.031 2.486 6.404 1.00 0.00 H new ATOM 0 HG23 VAL A 93 0.503 4.160 6.687 1.00 0.00 H new ATOM 1427 N SER A 94 2.176 4.697 4.783 1.00 0.00 N ATOM 1428 CA SER A 94 3.250 5.670 4.891 1.00 0.00 C ATOM 1429 C SER A 94 3.674 6.138 3.497 1.00 0.00 C ATOM 1430 O SER A 94 4.155 7.259 3.335 1.00 0.00 O ATOM 1431 CB SER A 94 4.448 5.087 5.642 1.00 0.00 C ATOM 1432 OG SER A 94 4.046 4.329 6.781 1.00 0.00 O ATOM 0 H SER A 94 2.301 3.859 5.351 1.00 0.00 H new ATOM 0 HA SER A 94 2.881 6.525 5.458 1.00 0.00 H new ATOM 0 HB2 SER A 94 5.024 4.452 4.969 1.00 0.00 H new ATOM 0 HB3 SER A 94 5.106 5.896 5.959 1.00 0.00 H new ATOM 0 HG SER A 94 4.839 3.972 7.233 1.00 0.00 H new ATOM 1438 N TRP A 95 3.481 5.256 2.527 1.00 0.00 N ATOM 1439 CA TRP A 95 3.838 5.565 1.153 1.00 0.00 C ATOM 1440 C TRP A 95 2.752 6.476 0.576 1.00 0.00 C ATOM 1441 O TRP A 95 3.055 7.516 -0.007 1.00 0.00 O ATOM 1442 CB TRP A 95 4.040 4.286 0.338 1.00 0.00 C ATOM 1443 CG TRP A 95 4.523 4.530 -1.093 1.00 0.00 C ATOM 1444 CD1 TRP A 95 5.755 4.863 -1.502 1.00 0.00 C ATOM 1445 CD2 TRP A 95 3.729 4.445 -2.295 1.00 0.00 C ATOM 1446 NE1 TRP A 95 5.812 4.999 -2.874 1.00 0.00 N ATOM 1447 CE2 TRP A 95 4.541 4.736 -3.371 1.00 0.00 C ATOM 1448 CE3 TRP A 95 2.369 4.132 -2.466 1.00 0.00 C ATOM 1449 CZ2 TRP A 95 4.085 4.744 -4.695 1.00 0.00 C ATOM 1450 CZ3 TRP A 95 1.929 4.144 -3.795 1.00 0.00 C ATOM 1451 CH2 TRP A 95 2.734 4.435 -4.890 1.00 0.00 C ATOM 0 H TRP A 95 3.082 4.328 2.666 1.00 0.00 H new ATOM 0 HA TRP A 95 4.792 6.090 1.111 1.00 0.00 H new ATOM 0 HB2 TRP A 95 4.762 3.651 0.851 1.00 0.00 H new ATOM 0 HB3 TRP A 95 3.099 3.736 0.304 1.00 0.00 H new ATOM 0 HD1 TRP A 95 6.597 5.007 -0.841 1.00 0.00 H new ATOM 0 HE1 TRP A 95 6.635 5.247 -3.423 1.00 0.00 H new ATOM 0 HE3 TRP A 95 1.716 3.901 -1.638 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 4.741 4.976 -5.521 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 0.891 3.911 -3.983 1.00 0.00 H new ATOM 0 HH2 TRP A 95 2.319 4.423 -5.887 1.00 0.00 H new ATOM 1462 N LEU A 96 1.510 6.052 0.759 1.00 0.00 N ATOM 1463 CA LEU A 96 0.378 6.817 0.263 1.00 0.00 C ATOM 1464 C LEU A 96 0.399 8.213 0.889 1.00 0.00 C ATOM 1465 O LEU A 96 0.063 9.197 0.231 1.00 0.00 O ATOM 1466 CB LEU A 96 -0.928 6.055 0.501 1.00 0.00 C ATOM 1467 CG LEU A 96 -2.087 6.405 -0.434 1.00 0.00 C ATOM 1468 CD1 LEU A 96 -3.085 7.337 0.255 1.00 0.00 C ATOM 1469 CD2 LEU A 96 -1.573 6.988 -1.751 1.00 0.00 C ATOM 0 H LEU A 96 1.263 5.189 1.244 1.00 0.00 H new ATOM 0 HA LEU A 96 0.450 6.950 -0.816 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -0.725 4.988 0.412 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -1.248 6.234 1.527 1.00 0.00 H new ATOM 0 HG LEU A 96 -2.620 5.485 -0.676 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -3.899 7.570 -0.432 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -3.487 6.848 1.142 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -2.581 8.258 0.546 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -2.418 7.228 -2.397 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -1.002 7.894 -1.549 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -0.933 6.258 -2.247 1.00 0.00 H new ATOM 1481 N ILE A 97 0.795 8.255 2.152 1.00 0.00 N ATOM 1482 CA ILE A 97 0.864 9.514 2.873 1.00 0.00 C ATOM 1483 C ILE A 97 1.916 10.414 2.221 1.00 0.00 C ATOM 1484 O ILE A 97 1.645 11.577 1.924 1.00 0.00 O ATOM 1485 CB ILE A 97 1.106 9.266 4.364 1.00 0.00 C ATOM 1486 CG1 ILE A 97 -0.092 8.561 5.004 1.00 0.00 C ATOM 1487 CG2 ILE A 97 1.459 10.567 5.086 1.00 0.00 C ATOM 1488 CD1 ILE A 97 0.242 8.091 6.421 1.00 0.00 C ATOM 0 H ILE A 97 1.072 7.437 2.695 1.00 0.00 H new ATOM 0 HA ILE A 97 -0.089 10.040 2.811 1.00 0.00 H new ATOM 0 HB ILE A 97 1.963 8.600 4.465 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -0.945 9.239 5.033 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -0.385 7.707 4.393 1.00 0.00 H new ATOM 0 HG21 ILE A 97 1.626 10.362 6.144 1.00 0.00 H new ATOM 0 HG22 ILE A 97 2.364 10.990 4.651 1.00 0.00 H new ATOM 0 HG23 ILE A 97 0.639 11.277 4.979 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -0.626 7.593 6.853 1.00 0.00 H new ATOM 0 HD12 ILE A 97 1.079 7.394 6.385 1.00 0.00 H new ATOM 0 HD13 ILE A 97 0.511 8.950 7.035 1.00 0.00 H new ATOM 1500 N GLU A 98 3.094 9.842 2.018 1.00 0.00 N ATOM 1501 CA GLU A 98 4.187 10.578 1.407 1.00 0.00 C ATOM 1502 C GLU A 98 3.857 10.905 -0.051 1.00 0.00 C ATOM 1503 O GLU A 98 4.055 12.034 -0.498 1.00 0.00 O ATOM 1504 CB GLU A 98 5.499 9.798 1.511 1.00 0.00 C ATOM 1505 CG GLU A 98 5.967 9.702 2.964 1.00 0.00 C ATOM 1506 CD GLU A 98 7.432 10.121 3.097 1.00 0.00 C ATOM 1507 OE1 GLU A 98 7.770 11.188 2.540 1.00 0.00 O ATOM 1508 OE2 GLU A 98 8.181 9.366 3.754 1.00 0.00 O ATOM 0 H GLU A 98 3.315 8.878 2.266 1.00 0.00 H new ATOM 0 HA GLU A 98 4.316 11.515 1.949 1.00 0.00 H new ATOM 0 HB2 GLU A 98 5.364 8.797 1.102 1.00 0.00 H new ATOM 0 HB3 GLU A 98 6.266 10.287 0.910 1.00 0.00 H new ATOM 0 HG2 GLU A 98 5.345 10.338 3.593 1.00 0.00 H new ATOM 0 HG3 GLU A 98 5.843 8.680 3.323 1.00 0.00 H new ATOM 1515 N CYS A 99 3.360 9.897 -0.752 1.00 0.00 N ATOM 1516 CA CYS A 99 3.001 10.064 -2.150 1.00 0.00 C ATOM 1517 C CYS A 99 2.156 11.332 -2.282 1.00 0.00 C ATOM 1518 O CYS A 99 2.154 11.975 -3.330 1.00 0.00 O ATOM 1519 CB CYS A 99 2.273 8.834 -2.697 1.00 0.00 C ATOM 1520 SG CYS A 99 3.487 7.602 -3.295 1.00 0.00 S ATOM 0 H CYS A 99 3.197 8.962 -0.378 1.00 0.00 H new ATOM 0 HA CYS A 99 3.905 10.168 -2.750 1.00 0.00 H new ATOM 0 HB2 CYS A 99 1.650 8.394 -1.918 1.00 0.00 H new ATOM 0 HB3 CYS A 99 1.609 9.126 -3.510 1.00 0.00 H new ATOM 0 HG CYS A 99 3.088 6.408 -2.972 1.00 0.00 H new ATOM 1526 N ILE A 100 1.459 11.655 -1.202 1.00 0.00 N ATOM 1527 CA ILE A 100 0.612 12.835 -1.184 1.00 0.00 C ATOM 1528 C ILE A 100 1.474 14.073 -0.925 1.00 0.00 C ATOM 1529 O ILE A 100 1.583 14.948 -1.782 1.00 0.00 O ATOM 1530 CB ILE A 100 -0.530 12.660 -0.180 1.00 0.00 C ATOM 1531 CG1 ILE A 100 -1.534 11.614 -0.668 1.00 0.00 C ATOM 1532 CG2 ILE A 100 -1.201 14.001 0.126 1.00 0.00 C ATOM 1533 CD1 ILE A 100 -2.441 11.151 0.473 1.00 0.00 C ATOM 0 H ILE A 100 1.464 11.120 -0.334 1.00 0.00 H new ATOM 0 HA ILE A 100 0.135 12.976 -2.154 1.00 0.00 H new ATOM 0 HB ILE A 100 -0.109 12.290 0.755 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -2.140 12.033 -1.472 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -1.001 10.759 -1.083 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -2.009 13.849 0.842 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -0.467 14.687 0.548 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -1.606 14.423 -0.794 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -3.145 10.408 0.099 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -1.834 10.710 1.264 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -2.991 12.004 0.870 1.00 0.00 H new ATOM 1545 N GLY A 101 2.064 14.106 0.261 1.00 0.00 N ATOM 1546 CA GLY A 101 2.913 15.221 0.643 1.00 0.00 C ATOM 1547 C GLY A 101 4.021 15.446 -0.389 1.00 0.00 C ATOM 1548 O GLY A 101 4.629 16.514 -0.428 1.00 0.00 O ATOM 0 H GLY A 101 1.971 13.378 0.970 1.00 0.00 H new ATOM 0 HA2 GLY A 101 2.311 16.125 0.739 1.00 0.00 H new ATOM 0 HA3 GLY A 101 3.355 15.028 1.620 1.00 0.00 H new ATOM 1552 N ALA A 102 4.249 14.422 -1.198 1.00 0.00 N ATOM 1553 CA ALA A 102 5.272 14.494 -2.227 1.00 0.00 C ATOM 1554 C ALA A 102 4.618 14.835 -3.567 1.00 0.00 C ATOM 1555 O ALA A 102 5.293 15.272 -4.498 1.00 0.00 O ATOM 1556 CB ALA A 102 6.043 13.173 -2.273 1.00 0.00 C ATOM 0 H ALA A 102 3.742 13.537 -1.162 1.00 0.00 H new ATOM 0 HA ALA A 102 5.990 15.283 -2.001 1.00 0.00 H new ATOM 0 HB1 ALA A 102 6.811 13.226 -3.045 1.00 0.00 H new ATOM 0 HB2 ALA A 102 6.513 12.992 -1.306 1.00 0.00 H new ATOM 0 HB3 ALA A 102 5.356 12.358 -2.501 1.00 0.00 H new ATOM 1562 N GLY A 103 3.312 14.621 -3.623 1.00 0.00 N ATOM 1563 CA GLY A 103 2.559 14.900 -4.835 1.00 0.00 C ATOM 1564 C GLY A 103 3.058 14.043 -5.999 1.00 0.00 C ATOM 1565 O GLY A 103 2.830 14.375 -7.162 1.00 0.00 O ATOM 0 H GLY A 103 2.756 14.258 -2.849 1.00 0.00 H new ATOM 0 HA2 GLY A 103 1.500 14.705 -4.663 1.00 0.00 H new ATOM 0 HA3 GLY A 103 2.651 15.956 -5.090 1.00 0.00 H new ATOM 1569 N LYS A 104 3.728 12.956 -5.648 1.00 0.00 N ATOM 1570 CA LYS A 104 4.261 12.048 -6.649 1.00 0.00 C ATOM 1571 C LYS A 104 4.516 10.682 -6.009 1.00 0.00 C ATOM 1572 O LYS A 104 4.467 10.546 -4.788 1.00 0.00 O ATOM 1573 CB LYS A 104 5.496 12.654 -7.319 1.00 0.00 C ATOM 1574 CG LYS A 104 6.774 12.243 -6.586 1.00 0.00 C ATOM 1575 CD LYS A 104 8.015 12.763 -7.315 1.00 0.00 C ATOM 1576 CE LYS A 104 9.049 13.298 -6.323 1.00 0.00 C ATOM 1577 NZ LYS A 104 10.330 12.570 -6.465 1.00 0.00 N ATOM 0 H LYS A 104 3.914 12.683 -4.683 1.00 0.00 H new ATOM 0 HA LYS A 104 3.536 11.895 -7.449 1.00 0.00 H new ATOM 0 HB2 LYS A 104 5.547 12.328 -8.358 1.00 0.00 H new ATOM 0 HB3 LYS A 104 5.412 13.741 -7.330 1.00 0.00 H new ATOM 0 HG2 LYS A 104 6.755 12.633 -5.568 1.00 0.00 H new ATOM 0 HG3 LYS A 104 6.821 11.157 -6.510 1.00 0.00 H new ATOM 0 HD2 LYS A 104 8.455 11.961 -7.908 1.00 0.00 H new ATOM 0 HD3 LYS A 104 7.729 13.553 -8.009 1.00 0.00 H new ATOM 0 HE2 LYS A 104 9.208 14.363 -6.494 1.00 0.00 H new ATOM 0 HE3 LYS A 104 8.674 13.191 -5.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 11.020 12.946 -5.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 10.177 11.558 -6.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 10.694 12.694 -7.431 1.00 0.00 H new ATOM 1591 N PRO A 105 4.791 9.679 -6.886 1.00 0.00 N ATOM 1592 CA PRO A 105 5.055 8.328 -6.419 1.00 0.00 C ATOM 1593 C PRO A 105 6.453 8.223 -5.806 1.00 0.00 C ATOM 1594 O PRO A 105 7.397 7.804 -6.473 1.00 0.00 O ATOM 1595 CB PRO A 105 4.875 7.447 -7.644 1.00 0.00 C ATOM 1596 CG PRO A 105 4.975 8.375 -8.844 1.00 0.00 C ATOM 1597 CD PRO A 105 4.858 9.803 -8.339 1.00 0.00 C ATOM 0 HA PRO A 105 4.381 8.019 -5.620 1.00 0.00 H new ATOM 0 HB2 PRO A 105 5.641 6.673 -7.684 1.00 0.00 H new ATOM 0 HB3 PRO A 105 3.910 6.940 -7.622 1.00 0.00 H new ATOM 0 HG2 PRO A 105 5.923 8.229 -9.361 1.00 0.00 H new ATOM 0 HG3 PRO A 105 4.184 8.158 -9.562 1.00 0.00 H new ATOM 0 HD2 PRO A 105 5.715 10.403 -8.646 1.00 0.00 H new ATOM 0 HD3 PRO A 105 3.968 10.292 -8.736 1.00 0.00 H new ATOM 1605 N VAL A 106 6.541 8.611 -4.542 1.00 0.00 N ATOM 1606 CA VAL A 106 7.807 8.565 -3.832 1.00 0.00 C ATOM 1607 C VAL A 106 8.545 7.275 -4.195 1.00 0.00 C ATOM 1608 O VAL A 106 7.932 6.316 -4.661 1.00 0.00 O ATOM 1609 CB VAL A 106 7.570 8.715 -2.328 1.00 0.00 C ATOM 1610 CG1 VAL A 106 7.236 10.164 -1.967 1.00 0.00 C ATOM 1611 CG2 VAL A 106 6.471 7.764 -1.849 1.00 0.00 C ATOM 0 H VAL A 106 5.756 8.959 -3.992 1.00 0.00 H new ATOM 0 HA VAL A 106 8.443 9.398 -4.132 1.00 0.00 H new ATOM 0 HB VAL A 106 8.493 8.446 -1.815 1.00 0.00 H new ATOM 0 HG11 VAL A 106 7.072 10.243 -0.892 1.00 0.00 H new ATOM 0 HG12 VAL A 106 8.064 10.811 -2.256 1.00 0.00 H new ATOM 0 HG13 VAL A 106 6.333 10.472 -2.495 1.00 0.00 H new ATOM 0 HG21 VAL A 106 6.322 7.891 -0.777 1.00 0.00 H new ATOM 0 HG22 VAL A 106 5.542 7.988 -2.373 1.00 0.00 H new ATOM 0 HG23 VAL A 106 6.765 6.735 -2.055 1.00 0.00 H new ATOM 1621 N GLU A 107 9.850 7.293 -3.968 1.00 0.00 N ATOM 1622 CA GLU A 107 10.677 6.136 -4.266 1.00 0.00 C ATOM 1623 C GLU A 107 10.449 5.038 -3.225 1.00 0.00 C ATOM 1624 O GLU A 107 10.075 5.324 -2.089 1.00 0.00 O ATOM 1625 CB GLU A 107 12.156 6.524 -4.339 1.00 0.00 C ATOM 1626 CG GLU A 107 12.795 6.514 -2.949 1.00 0.00 C ATOM 1627 CD GLU A 107 13.914 7.552 -2.852 1.00 0.00 C ATOM 1628 OE1 GLU A 107 13.580 8.755 -2.924 1.00 0.00 O ATOM 1629 OE2 GLU A 107 15.078 7.120 -2.709 1.00 0.00 O ATOM 0 H GLU A 107 10.355 8.090 -3.581 1.00 0.00 H new ATOM 0 HA GLU A 107 10.388 5.749 -5.243 1.00 0.00 H new ATOM 0 HB2 GLU A 107 12.686 5.830 -4.992 1.00 0.00 H new ATOM 0 HB3 GLU A 107 12.254 7.515 -4.781 1.00 0.00 H new ATOM 0 HG2 GLU A 107 12.036 6.721 -2.195 1.00 0.00 H new ATOM 0 HG3 GLU A 107 13.194 5.523 -2.736 1.00 0.00 H new ATOM 1636 N MET A 108 10.684 3.806 -3.651 1.00 0.00 N ATOM 1637 CA MET A 108 10.509 2.664 -2.770 1.00 0.00 C ATOM 1638 C MET A 108 11.838 2.254 -2.131 1.00 0.00 C ATOM 1639 O MET A 108 12.658 1.593 -2.766 1.00 0.00 O ATOM 1640 CB MET A 108 9.941 1.487 -3.566 1.00 0.00 C ATOM 1641 CG MET A 108 8.418 1.584 -3.675 1.00 0.00 C ATOM 1642 SD MET A 108 7.855 0.723 -5.134 1.00 0.00 S ATOM 1643 CE MET A 108 7.032 2.059 -5.985 1.00 0.00 C ATOM 0 H MET A 108 10.994 3.573 -4.594 1.00 0.00 H new ATOM 0 HA MET A 108 9.817 2.945 -1.976 1.00 0.00 H new ATOM 0 HB2 MET A 108 10.380 1.472 -4.563 1.00 0.00 H new ATOM 0 HB3 MET A 108 10.216 0.550 -3.082 1.00 0.00 H new ATOM 0 HG2 MET A 108 7.953 1.155 -2.787 1.00 0.00 H new ATOM 0 HG3 MET A 108 8.114 2.630 -3.720 1.00 0.00 H new ATOM 0 HE1 MET A 108 6.619 1.692 -6.925 1.00 0.00 H new ATOM 0 HE2 MET A 108 6.226 2.446 -5.361 1.00 0.00 H new ATOM 0 HE3 MET A 108 7.747 2.856 -6.190 1.00 0.00 H new ATOM 1653 N THR A 109 12.010 2.665 -0.884 1.00 0.00 N ATOM 1654 CA THR A 109 13.225 2.350 -0.153 1.00 0.00 C ATOM 1655 C THR A 109 12.983 1.182 0.806 1.00 0.00 C ATOM 1656 O THR A 109 13.609 1.100 1.861 1.00 0.00 O ATOM 1657 CB THR A 109 13.699 3.624 0.550 1.00 0.00 C ATOM 1658 OG1 THR A 109 12.702 3.866 1.539 1.00 0.00 O ATOM 1659 CG2 THR A 109 13.629 4.853 -0.358 1.00 0.00 C ATOM 0 H THR A 109 11.328 3.214 -0.361 1.00 0.00 H new ATOM 0 HA THR A 109 14.016 2.019 -0.826 1.00 0.00 H new ATOM 0 HB THR A 109 14.723 3.487 0.898 1.00 0.00 H new ATOM 0 HG1 THR A 109 12.473 4.819 1.546 1.00 0.00 H new ATOM 0 HG21 THR A 109 13.976 5.730 0.189 1.00 0.00 H new ATOM 0 HG22 THR A 109 14.262 4.696 -1.232 1.00 0.00 H new ATOM 0 HG23 THR A 109 12.599 5.010 -0.679 1.00 0.00 H new ATOM 1667 N GLY A 110 12.073 0.307 0.403 1.00 0.00 N ATOM 1668 CA GLY A 110 11.741 -0.853 1.213 1.00 0.00 C ATOM 1669 C GLY A 110 10.762 -0.481 2.329 1.00 0.00 C ATOM 1670 O GLY A 110 9.692 -1.076 2.445 1.00 0.00 O ATOM 0 H GLY A 110 11.556 0.378 -0.473 1.00 0.00 H new ATOM 0 HA2 GLY A 110 11.303 -1.627 0.583 1.00 0.00 H new ATOM 0 HA3 GLY A 110 12.650 -1.271 1.646 1.00 0.00 H new ATOM 1674 N LYS A 111 11.164 0.503 3.120 1.00 0.00 N ATOM 1675 CA LYS A 111 10.336 0.962 4.222 1.00 0.00 C ATOM 1676 C LYS A 111 8.885 1.078 3.751 1.00 0.00 C ATOM 1677 O LYS A 111 7.964 0.674 4.459 1.00 0.00 O ATOM 1678 CB LYS A 111 10.897 2.258 4.811 1.00 0.00 C ATOM 1679 CG LYS A 111 11.472 3.155 3.712 1.00 0.00 C ATOM 1680 CD LYS A 111 11.493 4.619 4.155 1.00 0.00 C ATOM 1681 CE LYS A 111 12.926 5.151 4.226 1.00 0.00 C ATOM 1682 NZ LYS A 111 13.594 4.674 5.458 1.00 0.00 N ATOM 0 H LYS A 111 12.052 0.995 3.020 1.00 0.00 H new ATOM 0 HA LYS A 111 10.350 0.237 5.036 1.00 0.00 H new ATOM 0 HB2 LYS A 111 10.110 2.790 5.345 1.00 0.00 H new ATOM 0 HB3 LYS A 111 11.674 2.025 5.539 1.00 0.00 H new ATOM 0 HG2 LYS A 111 12.483 2.831 3.465 1.00 0.00 H new ATOM 0 HG3 LYS A 111 10.875 3.054 2.806 1.00 0.00 H new ATOM 0 HD2 LYS A 111 10.912 5.222 3.457 1.00 0.00 H new ATOM 0 HD3 LYS A 111 11.017 4.714 5.131 1.00 0.00 H new ATOM 0 HE2 LYS A 111 13.486 4.822 3.351 1.00 0.00 H new ATOM 0 HE3 LYS A 111 12.917 6.241 4.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 14.566 5.044 5.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 13.067 5.009 6.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 13.619 3.634 5.459 1.00 0.00 H new ATOM 1696 N HIS A 112 8.727 1.633 2.558 1.00 0.00 N ATOM 1697 CA HIS A 112 7.404 1.807 1.983 1.00 0.00 C ATOM 1698 C HIS A 112 6.758 0.439 1.756 1.00 0.00 C ATOM 1699 O HIS A 112 5.566 0.263 2.000 1.00 0.00 O ATOM 1700 CB HIS A 112 7.472 2.650 0.708 1.00 0.00 C ATOM 1701 CG HIS A 112 8.036 4.035 0.917 1.00 0.00 C ATOM 1702 ND1 HIS A 112 8.744 4.712 -0.061 1.00 0.00 N ATOM 1703 CD2 HIS A 112 7.987 4.864 1.999 1.00 0.00 C ATOM 1704 CE1 HIS A 112 9.102 5.892 0.423 1.00 0.00 C ATOM 1705 NE2 HIS A 112 8.632 5.984 1.700 1.00 0.00 N ATOM 0 H HIS A 112 9.493 1.968 1.974 1.00 0.00 H new ATOM 0 HA HIS A 112 6.771 2.357 2.679 1.00 0.00 H new ATOM 0 HB2 HIS A 112 8.082 2.128 -0.029 1.00 0.00 H new ATOM 0 HB3 HIS A 112 6.470 2.736 0.288 1.00 0.00 H new ATOM 0 HD1 HIS A 112 8.954 4.362 -0.996 1.00 0.00 H new ATOM 0 HD2 HIS A 112 7.505 4.645 2.940 1.00 0.00 H new ATOM 0 HE1 HIS A 112 9.667 6.648 -0.102 1.00 0.00 H new ATOM 1713 N GLN A 113 7.575 -0.495 1.291 1.00 0.00 N ATOM 1714 CA GLN A 113 7.099 -1.842 1.028 1.00 0.00 C ATOM 1715 C GLN A 113 6.964 -2.623 2.337 1.00 0.00 C ATOM 1716 O GLN A 113 7.881 -2.630 3.156 1.00 0.00 O ATOM 1717 CB GLN A 113 8.023 -2.569 0.049 1.00 0.00 C ATOM 1718 CG GLN A 113 8.379 -1.671 -1.138 1.00 0.00 C ATOM 1719 CD GLN A 113 7.861 -2.265 -2.450 1.00 0.00 C ATOM 1720 OE1 GLN A 113 7.102 -3.220 -2.472 1.00 0.00 O ATOM 1721 NE2 GLN A 113 8.314 -1.650 -3.538 1.00 0.00 N ATOM 0 H GLN A 113 8.564 -0.345 1.090 1.00 0.00 H new ATOM 0 HA GLN A 113 6.115 -1.774 0.565 1.00 0.00 H new ATOM 0 HB2 GLN A 113 8.934 -2.877 0.563 1.00 0.00 H new ATOM 0 HB3 GLN A 113 7.537 -3.476 -0.310 1.00 0.00 H new ATOM 0 HG2 GLN A 113 7.951 -0.680 -0.990 1.00 0.00 H new ATOM 0 HG3 GLN A 113 9.460 -1.547 -1.193 1.00 0.00 H new ATOM 0 HE21 GLN A 113 8.948 -0.856 -3.448 1.00 0.00 H new ATOM 0 HE22 GLN A 113 8.028 -1.972 -4.462 1.00 0.00 H new ATOM 1730 N LEU A 114 5.813 -3.260 2.493 1.00 0.00 N ATOM 1731 CA LEU A 114 5.547 -4.042 3.688 1.00 0.00 C ATOM 1732 C LEU A 114 6.686 -5.040 3.904 1.00 0.00 C ATOM 1733 O LEU A 114 7.434 -4.932 4.875 1.00 0.00 O ATOM 1734 CB LEU A 114 4.165 -4.695 3.604 1.00 0.00 C ATOM 1735 CG LEU A 114 2.999 -3.758 3.284 1.00 0.00 C ATOM 1736 CD1 LEU A 114 3.210 -2.383 3.920 1.00 0.00 C ATOM 1737 CD2 LEU A 114 2.771 -3.662 1.774 1.00 0.00 C ATOM 0 H LEU A 114 5.054 -3.251 1.812 1.00 0.00 H new ATOM 0 HA LEU A 114 5.517 -3.397 4.566 1.00 0.00 H new ATOM 0 HB2 LEU A 114 4.199 -5.474 2.842 1.00 0.00 H new ATOM 0 HB3 LEU A 114 3.959 -5.187 4.554 1.00 0.00 H new ATOM 0 HG LEU A 114 2.093 -4.179 3.720 1.00 0.00 H new ATOM 0 HD11 LEU A 114 2.367 -1.736 3.677 1.00 0.00 H new ATOM 0 HD12 LEU A 114 3.285 -2.490 5.002 1.00 0.00 H new ATOM 0 HD13 LEU A 114 4.129 -1.941 3.535 1.00 0.00 H new ATOM 0 HD21 LEU A 114 1.937 -2.990 1.574 1.00 0.00 H new ATOM 0 HD22 LEU A 114 3.671 -3.277 1.294 1.00 0.00 H new ATOM 0 HD23 LEU A 114 2.543 -4.651 1.377 1.00 0.00 H new