USER MOD reduce.3.24.130724 H: found=0, std=0, add=672, rem=0, adj=11 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 : amide:sc= -0.424 K(o=-0.42,f=-3.5!) USER MOD Set 1.2: A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc= -5.71! C(o=-5.7!,f=-16!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= -0.0145 X(o=-0.015,f=-0.058) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= -0.133 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= -0.258 USER MOD Single : A 60 MET CE :methyl 134:sc= -0.636 (180deg=-1.66!) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 81:sc= 1.25 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 X(o=0,f=0) USER MOD Single : A 95 GLN : amide:sc= -0.224 K(o=-0.22,f=-1.3!) USER MOD Single : A 96 THR OG1 : rot 90:sc= 0.0312 USER MOD Single : A 100 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.108) USER MOD Single : A 103 GLN : amide:sc= -0.303 K(o=-0.3,f=-2.4!) USER MOD Single : A 104 LYS NZ :NH3+ 156:sc= 0.181 (180deg=0.0655) USER MOD Single : A 106 SER OG : rot 12:sc= 1.06 USER MOD ----------------------------------------------------------------- ATOM 307 N HIS A 26 2.468 8.579 -4.618 1.00 0.00 N ATOM 308 CA HIS A 26 2.582 8.738 -3.178 1.00 0.00 C ATOM 309 C HIS A 26 3.227 7.489 -2.574 1.00 0.00 C ATOM 310 O HIS A 26 2.865 6.367 -2.924 1.00 0.00 O ATOM 311 CB HIS A 26 1.222 9.062 -2.558 1.00 0.00 C ATOM 312 CG HIS A 26 1.300 9.584 -1.144 1.00 0.00 C ATOM 313 ND1 HIS A 26 1.700 8.799 -0.076 1.00 0.00 N ATOM 314 CD2 HIS A 26 1.026 10.819 -0.633 1.00 0.00 C ATOM 315 CE1 HIS A 26 1.664 9.539 1.023 1.00 0.00 C ATOM 316 NE2 HIS A 26 1.246 10.790 0.676 1.00 0.00 N ATOM 0 HA HIS A 26 3.230 9.585 -2.952 1.00 0.00 H new ATOM 0 HB2 HIS A 26 0.718 9.802 -3.180 1.00 0.00 H new ATOM 0 HB3 HIS A 26 0.606 8.163 -2.569 1.00 0.00 H new ATOM 0 HD2 HIS A 26 0.687 11.675 -1.198 1.00 0.00 H new ATOM 0 HE1 HIS A 26 1.921 9.209 2.019 1.00 0.00 H new ATOM 0 HE2 HIS A 26 1.123 11.574 1.317 1.00 0.00 H new ATOM 324 N PRO A 27 4.196 7.733 -1.651 1.00 0.00 N ATOM 325 CA PRO A 27 4.895 6.641 -0.994 1.00 0.00 C ATOM 326 C PRO A 27 4.008 5.979 0.062 1.00 0.00 C ATOM 327 O PRO A 27 4.091 4.771 0.279 1.00 0.00 O ATOM 328 CB PRO A 27 6.147 7.272 -0.407 1.00 0.00 C ATOM 329 CG PRO A 27 5.875 8.767 -0.355 1.00 0.00 C ATOM 330 CD PRO A 27 4.651 9.048 -1.211 1.00 0.00 C ATOM 0 HA PRO A 27 5.155 5.835 -1.680 1.00 0.00 H new ATOM 0 HB2 PRO A 27 6.353 6.878 0.588 1.00 0.00 H new ATOM 0 HB3 PRO A 27 7.020 7.055 -1.023 1.00 0.00 H new ATOM 0 HG2 PRO A 27 5.704 9.088 0.672 1.00 0.00 H new ATOM 0 HG3 PRO A 27 6.736 9.325 -0.725 1.00 0.00 H new ATOM 0 HD2 PRO A 27 3.879 9.564 -0.640 1.00 0.00 H new ATOM 0 HD3 PRO A 27 4.899 9.685 -2.060 1.00 0.00 H new ATOM 338 N GLY A 28 3.179 6.799 0.691 1.00 0.00 N ATOM 339 CA GLY A 28 2.277 6.308 1.719 1.00 0.00 C ATOM 340 C GLY A 28 1.393 5.181 1.180 1.00 0.00 C ATOM 341 O GLY A 28 0.996 4.288 1.927 1.00 0.00 O ATOM 0 H GLY A 28 3.113 7.800 0.509 1.00 0.00 H new ATOM 0 HA2 GLY A 28 2.853 5.947 2.571 1.00 0.00 H new ATOM 0 HA3 GLY A 28 1.652 7.125 2.080 1.00 0.00 H new ATOM 345 N VAL A 29 1.112 5.259 -0.112 1.00 0.00 N ATOM 346 CA VAL A 29 0.283 4.256 -0.759 1.00 0.00 C ATOM 347 C VAL A 29 1.146 3.049 -1.131 1.00 0.00 C ATOM 348 O VAL A 29 0.869 1.929 -0.705 1.00 0.00 O ATOM 349 CB VAL A 29 -0.437 4.869 -1.962 1.00 0.00 C ATOM 350 CG1 VAL A 29 -1.412 3.869 -2.586 1.00 0.00 C ATOM 351 CG2 VAL A 29 -1.154 6.163 -1.571 1.00 0.00 C ATOM 0 H VAL A 29 1.443 6.001 -0.728 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.492 3.904 -0.078 1.00 0.00 H new ATOM 0 HB VAL A 29 0.315 5.116 -2.712 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -1.910 4.330 -3.439 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -0.865 2.987 -2.919 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -2.156 3.576 -1.846 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -1.658 6.578 -2.444 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.889 5.951 -0.795 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -0.427 6.883 -1.195 1.00 0.00 H new ATOM 361 N LEU A 30 2.175 3.318 -1.921 1.00 0.00 N ATOM 362 CA LEU A 30 3.081 2.268 -2.354 1.00 0.00 C ATOM 363 C LEU A 30 3.413 1.364 -1.166 1.00 0.00 C ATOM 364 O LEU A 30 3.584 0.157 -1.328 1.00 0.00 O ATOM 365 CB LEU A 30 4.313 2.869 -3.033 1.00 0.00 C ATOM 366 CG LEU A 30 4.040 3.794 -4.221 1.00 0.00 C ATOM 367 CD1 LEU A 30 5.070 4.923 -4.285 1.00 0.00 C ATOM 368 CD2 LEU A 30 3.976 3.002 -5.529 1.00 0.00 C ATOM 0 H LEU A 30 2.401 4.248 -2.273 1.00 0.00 H new ATOM 0 HA LEU A 30 2.604 1.641 -3.108 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.879 3.426 -2.287 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.951 2.053 -3.373 1.00 0.00 H new ATOM 0 HG LEU A 30 3.064 4.257 -4.076 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.853 5.566 -5.138 1.00 0.00 H new ATOM 0 HD12 LEU A 30 5.024 5.510 -3.368 1.00 0.00 H new ATOM 0 HD13 LEU A 30 6.068 4.499 -4.395 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.781 3.683 -6.357 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.926 2.493 -5.693 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.175 2.265 -5.469 1.00 0.00 H new ATOM 380 N LYS A 31 3.494 1.983 0.003 1.00 0.00 N ATOM 381 CA LYS A 31 3.803 1.249 1.219 1.00 0.00 C ATOM 382 C LYS A 31 2.874 0.038 1.328 1.00 0.00 C ATOM 383 O LYS A 31 3.288 -1.026 1.785 1.00 0.00 O ATOM 384 CB LYS A 31 3.747 2.178 2.433 1.00 0.00 C ATOM 385 CG LYS A 31 5.124 2.305 3.090 1.00 0.00 C ATOM 386 CD LYS A 31 5.355 3.725 3.609 1.00 0.00 C ATOM 387 CE LYS A 31 6.736 3.855 4.255 1.00 0.00 C ATOM 388 NZ LYS A 31 7.057 5.277 4.510 1.00 0.00 N ATOM 0 H LYS A 31 3.351 2.984 0.134 1.00 0.00 H new ATOM 0 HA LYS A 31 4.823 0.867 1.185 1.00 0.00 H new ATOM 0 HB2 LYS A 31 3.394 3.163 2.126 1.00 0.00 H new ATOM 0 HB3 LYS A 31 3.029 1.793 3.157 1.00 0.00 H new ATOM 0 HG2 LYS A 31 5.205 1.595 3.913 1.00 0.00 H new ATOM 0 HG3 LYS A 31 5.900 2.047 2.369 1.00 0.00 H new ATOM 0 HD2 LYS A 31 5.266 4.435 2.787 1.00 0.00 H new ATOM 0 HD3 LYS A 31 4.584 3.980 4.336 1.00 0.00 H new ATOM 0 HE2 LYS A 31 6.760 3.297 5.191 1.00 0.00 H new ATOM 0 HE3 LYS A 31 7.492 3.417 3.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 7.997 5.347 4.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 7.054 5.800 3.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 6.345 5.684 5.150 1.00 0.00 H new ATOM 402 N VAL A 32 1.636 0.241 0.901 1.00 0.00 N ATOM 403 CA VAL A 32 0.646 -0.821 0.945 1.00 0.00 C ATOM 404 C VAL A 32 0.859 -1.761 -0.243 1.00 0.00 C ATOM 405 O VAL A 32 0.885 -2.980 -0.078 1.00 0.00 O ATOM 406 CB VAL A 32 -0.762 -0.223 0.989 1.00 0.00 C ATOM 407 CG1 VAL A 32 -0.753 1.150 1.665 1.00 0.00 C ATOM 408 CG2 VAL A 32 -1.366 -0.140 -0.414 1.00 0.00 C ATOM 0 H VAL A 32 1.296 1.125 0.523 1.00 0.00 H new ATOM 0 HA VAL A 32 0.762 -1.413 1.853 1.00 0.00 H new ATOM 0 HB VAL A 32 -1.390 -0.886 1.585 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -1.766 1.553 1.683 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -0.383 1.051 2.686 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.104 1.825 1.108 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -2.367 0.288 -0.355 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.738 0.490 -1.044 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -1.424 -1.140 -0.845 1.00 0.00 H new ATOM 418 N GLU A 33 1.007 -1.159 -1.414 1.00 0.00 N ATOM 419 CA GLU A 33 1.217 -1.927 -2.629 1.00 0.00 C ATOM 420 C GLU A 33 2.439 -2.834 -2.479 1.00 0.00 C ATOM 421 O GLU A 33 2.464 -3.941 -3.015 1.00 0.00 O ATOM 422 CB GLU A 33 1.364 -1.005 -3.842 1.00 0.00 C ATOM 423 CG GLU A 33 0.075 -0.219 -4.093 1.00 0.00 C ATOM 424 CD GLU A 33 0.039 0.334 -5.519 1.00 0.00 C ATOM 425 OE1 GLU A 33 0.906 1.184 -5.820 1.00 0.00 O ATOM 426 OE2 GLU A 33 -0.853 -0.104 -6.275 1.00 0.00 O ATOM 0 H GLU A 33 0.986 -0.148 -1.547 1.00 0.00 H new ATOM 0 HA GLU A 33 0.341 -2.555 -2.795 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.190 -0.313 -3.679 1.00 0.00 H new ATOM 0 HB3 GLU A 33 1.612 -1.595 -4.724 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -0.787 -0.865 -3.928 1.00 0.00 H new ATOM 0 HG3 GLU A 33 0.000 0.601 -3.379 1.00 0.00 H new ATOM 433 N ALA A 34 3.423 -2.332 -1.748 1.00 0.00 N ATOM 434 CA ALA A 34 4.646 -3.083 -1.521 1.00 0.00 C ATOM 435 C ALA A 34 4.314 -4.371 -0.763 1.00 0.00 C ATOM 436 O ALA A 34 4.944 -5.404 -0.984 1.00 0.00 O ATOM 437 CB ALA A 34 5.651 -2.208 -0.770 1.00 0.00 C ATOM 0 H ALA A 34 3.398 -1.414 -1.305 1.00 0.00 H new ATOM 0 HA ALA A 34 5.104 -3.366 -2.469 1.00 0.00 H new ATOM 0 HB1 ALA A 34 6.568 -2.772 -0.600 1.00 0.00 H new ATOM 0 HB2 ALA A 34 5.875 -1.321 -1.362 1.00 0.00 H new ATOM 0 HB3 ALA A 34 5.227 -1.907 0.188 1.00 0.00 H new ATOM 443 N ILE A 35 3.327 -4.266 0.114 1.00 0.00 N ATOM 444 CA ILE A 35 2.904 -5.409 0.905 1.00 0.00 C ATOM 445 C ILE A 35 1.963 -6.281 0.071 1.00 0.00 C ATOM 446 O ILE A 35 2.197 -7.479 -0.086 1.00 0.00 O ATOM 447 CB ILE A 35 2.300 -4.948 2.232 1.00 0.00 C ATOM 448 CG1 ILE A 35 3.322 -4.162 3.056 1.00 0.00 C ATOM 449 CG2 ILE A 35 1.723 -6.131 3.012 1.00 0.00 C ATOM 450 CD1 ILE A 35 2.669 -2.955 3.733 1.00 0.00 C ATOM 0 H ILE A 35 2.808 -3.407 0.294 1.00 0.00 H new ATOM 0 HA ILE A 35 3.762 -6.027 1.169 1.00 0.00 H new ATOM 0 HB ILE A 35 1.473 -4.272 2.014 1.00 0.00 H new ATOM 0 HG12 ILE A 35 3.763 -4.812 3.811 1.00 0.00 H new ATOM 0 HG13 ILE A 35 4.134 -3.826 2.411 1.00 0.00 H new ATOM 0 HG21 ILE A 35 1.300 -5.776 3.952 1.00 0.00 H new ATOM 0 HG22 ILE A 35 0.943 -6.611 2.421 1.00 0.00 H new ATOM 0 HG23 ILE A 35 2.515 -6.851 3.220 1.00 0.00 H new ATOM 0 HD11 ILE A 35 3.417 -2.414 4.312 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.250 -2.294 2.974 1.00 0.00 H new ATOM 0 HD13 ILE A 35 1.874 -3.296 4.396 1.00 0.00 H new ATOM 462 N LEU A 36 0.919 -5.647 -0.442 1.00 0.00 N ATOM 463 CA LEU A 36 -0.058 -6.350 -1.256 1.00 0.00 C ATOM 464 C LEU A 36 0.666 -7.330 -2.181 1.00 0.00 C ATOM 465 O LEU A 36 0.305 -8.504 -2.251 1.00 0.00 O ATOM 466 CB LEU A 36 -0.955 -5.355 -1.995 1.00 0.00 C ATOM 467 CG LEU A 36 -2.303 -5.052 -1.340 1.00 0.00 C ATOM 468 CD1 LEU A 36 -3.182 -4.203 -2.261 1.00 0.00 C ATOM 469 CD2 LEU A 36 -3.004 -6.341 -0.907 1.00 0.00 C ATOM 0 H LEU A 36 0.728 -4.654 -0.310 1.00 0.00 H new ATOM 0 HA LEU A 36 -0.725 -6.939 -0.627 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -0.409 -4.418 -2.107 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.139 -5.738 -2.999 1.00 0.00 H new ATOM 0 HG LEU A 36 -2.121 -4.466 -0.439 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -4.135 -4.002 -1.771 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -2.679 -3.260 -2.477 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -3.359 -4.741 -3.192 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -3.960 -6.097 -0.444 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.173 -6.973 -1.778 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -2.378 -6.872 -0.189 1.00 0.00 H new ATOM 481 N GLU A 37 1.674 -6.813 -2.867 1.00 0.00 N ATOM 482 CA GLU A 37 2.451 -7.628 -3.785 1.00 0.00 C ATOM 483 C GLU A 37 2.835 -8.953 -3.123 1.00 0.00 C ATOM 484 O GLU A 37 2.722 -10.013 -3.736 1.00 0.00 O ATOM 485 CB GLU A 37 3.693 -6.877 -4.268 1.00 0.00 C ATOM 486 CG GLU A 37 3.718 -6.783 -5.795 1.00 0.00 C ATOM 487 CD GLU A 37 5.154 -6.818 -6.324 1.00 0.00 C ATOM 488 OE1 GLU A 37 5.908 -7.698 -5.858 1.00 0.00 O ATOM 489 OE2 GLU A 37 5.463 -5.963 -7.182 1.00 0.00 O ATOM 0 H GLU A 37 1.971 -5.839 -2.806 1.00 0.00 H new ATOM 0 HA GLU A 37 1.835 -7.845 -4.658 1.00 0.00 H new ATOM 0 HB2 GLU A 37 3.707 -5.875 -3.838 1.00 0.00 H new ATOM 0 HB3 GLU A 37 4.590 -7.387 -3.917 1.00 0.00 H new ATOM 0 HG2 GLU A 37 3.149 -7.608 -6.223 1.00 0.00 H new ATOM 0 HG3 GLU A 37 3.232 -5.861 -6.114 1.00 0.00 H new ATOM 496 N LYS A 38 3.281 -8.849 -1.879 1.00 0.00 N ATOM 497 CA LYS A 38 3.682 -10.026 -1.128 1.00 0.00 C ATOM 498 C LYS A 38 2.447 -10.879 -0.827 1.00 0.00 C ATOM 499 O LYS A 38 2.448 -12.085 -1.068 1.00 0.00 O ATOM 500 CB LYS A 38 4.469 -9.622 0.120 1.00 0.00 C ATOM 501 CG LYS A 38 5.816 -9.002 -0.258 1.00 0.00 C ATOM 502 CD LYS A 38 6.218 -7.913 0.739 1.00 0.00 C ATOM 503 CE LYS A 38 7.732 -7.903 0.959 1.00 0.00 C ATOM 504 NZ LYS A 38 8.058 -8.329 2.338 1.00 0.00 N ATOM 0 H LYS A 38 3.373 -7.968 -1.373 1.00 0.00 H new ATOM 0 HA LYS A 38 4.360 -10.643 -1.719 1.00 0.00 H new ATOM 0 HB2 LYS A 38 3.888 -8.909 0.706 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.631 -10.496 0.751 1.00 0.00 H new ATOM 0 HG2 LYS A 38 6.582 -9.777 -0.284 1.00 0.00 H new ATOM 0 HG3 LYS A 38 5.757 -8.578 -1.260 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.894 -6.940 0.370 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.710 -8.079 1.689 1.00 0.00 H new ATOM 0 HE2 LYS A 38 8.214 -8.569 0.243 1.00 0.00 H new ATOM 0 HE3 LYS A 38 8.125 -6.902 0.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 9.089 -8.317 2.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 7.614 -7.678 3.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 7.700 -9.292 2.498 1.00 0.00 H new ATOM 518 N VAL A 39 1.425 -10.218 -0.304 1.00 0.00 N ATOM 519 CA VAL A 39 0.187 -10.900 0.033 1.00 0.00 C ATOM 520 C VAL A 39 -0.199 -11.841 -1.111 1.00 0.00 C ATOM 521 O VAL A 39 -0.435 -13.028 -0.890 1.00 0.00 O ATOM 522 CB VAL A 39 -0.903 -9.877 0.359 1.00 0.00 C ATOM 523 CG1 VAL A 39 -2.218 -10.572 0.717 1.00 0.00 C ATOM 524 CG2 VAL A 39 -0.455 -8.938 1.481 1.00 0.00 C ATOM 0 H VAL A 39 1.429 -9.218 -0.105 1.00 0.00 H new ATOM 0 HA VAL A 39 0.318 -11.510 0.927 1.00 0.00 H new ATOM 0 HB VAL A 39 -1.075 -9.275 -0.533 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -2.976 -9.822 0.944 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -2.550 -11.179 -0.125 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -2.067 -11.211 1.587 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -1.248 -8.221 1.693 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -0.241 -9.519 2.378 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.444 -8.404 1.172 1.00 0.00 H new ATOM 534 N GLN A 40 -0.252 -11.275 -2.308 1.00 0.00 N ATOM 535 CA GLN A 40 -0.605 -12.048 -3.486 1.00 0.00 C ATOM 536 C GLN A 40 0.083 -13.414 -3.450 1.00 0.00 C ATOM 537 O GLN A 40 -0.572 -14.447 -3.587 1.00 0.00 O ATOM 538 CB GLN A 40 -0.251 -11.289 -4.766 1.00 0.00 C ATOM 539 CG GLN A 40 -1.168 -10.080 -4.958 1.00 0.00 C ATOM 540 CD GLN A 40 -2.506 -10.497 -5.572 1.00 0.00 C ATOM 541 OE1 GLN A 40 -3.038 -11.561 -5.300 1.00 0.00 O ATOM 542 NE2 GLN A 40 -3.018 -9.603 -6.413 1.00 0.00 N ATOM 0 H GLN A 40 -0.056 -10.290 -2.487 1.00 0.00 H new ATOM 0 HA GLN A 40 -1.683 -12.206 -3.483 1.00 0.00 H new ATOM 0 HB2 GLN A 40 0.787 -10.959 -4.722 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -0.338 -11.956 -5.624 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -1.340 -9.594 -3.998 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -0.681 -9.348 -5.602 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -2.520 -8.732 -6.596 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -3.908 -9.789 -6.875 1.00 0.00 H new ATOM 551 N GLY A 41 1.394 -13.376 -3.266 1.00 0.00 N ATOM 552 CA GLY A 41 2.178 -14.598 -3.211 1.00 0.00 C ATOM 553 C GLY A 41 1.622 -15.559 -2.158 1.00 0.00 C ATOM 554 O GLY A 41 1.592 -16.770 -2.372 1.00 0.00 O ATOM 0 H GLY A 41 1.934 -12.518 -3.153 1.00 0.00 H new ATOM 0 HA2 GLY A 41 2.174 -15.081 -4.188 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.216 -14.359 -2.978 1.00 0.00 H new ATOM 558 N LEU A 42 1.197 -14.983 -1.043 1.00 0.00 N ATOM 559 CA LEU A 42 0.644 -15.773 0.044 1.00 0.00 C ATOM 560 C LEU A 42 -0.753 -16.260 -0.345 1.00 0.00 C ATOM 561 O LEU A 42 -1.141 -17.377 -0.007 1.00 0.00 O ATOM 562 CB LEU A 42 0.676 -14.981 1.352 1.00 0.00 C ATOM 563 CG LEU A 42 1.994 -14.274 1.676 1.00 0.00 C ATOM 564 CD1 LEU A 42 1.817 -13.286 2.831 1.00 0.00 C ATOM 565 CD2 LEU A 42 3.106 -15.288 1.955 1.00 0.00 C ATOM 0 H LEU A 42 1.224 -13.978 -0.869 1.00 0.00 H new ATOM 0 HA LEU A 42 1.254 -16.659 0.219 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.116 -14.233 1.320 1.00 0.00 H new ATOM 0 HB3 LEU A 42 0.440 -15.661 2.171 1.00 0.00 H new ATOM 0 HG LEU A 42 2.296 -13.697 0.802 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.768 -12.797 3.041 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.076 -12.535 2.557 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.480 -13.821 3.719 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.032 -14.759 2.182 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.826 -15.911 2.804 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.254 -15.917 1.077 1.00 0.00 H new ATOM 577 N GLU A 43 -1.470 -15.399 -1.052 1.00 0.00 N ATOM 578 CA GLU A 43 -2.816 -15.728 -1.491 1.00 0.00 C ATOM 579 C GLU A 43 -2.775 -16.845 -2.535 1.00 0.00 C ATOM 580 O GLU A 43 -3.668 -17.690 -2.581 1.00 0.00 O ATOM 581 CB GLU A 43 -3.532 -14.492 -2.038 1.00 0.00 C ATOM 582 CG GLU A 43 -4.664 -14.889 -2.987 1.00 0.00 C ATOM 583 CD GLU A 43 -4.246 -14.704 -4.447 1.00 0.00 C ATOM 584 OE1 GLU A 43 -3.023 -14.765 -4.699 1.00 0.00 O ATOM 585 OE2 GLU A 43 -5.159 -14.505 -5.278 1.00 0.00 O ATOM 0 H GLU A 43 -1.144 -14.474 -1.332 1.00 0.00 H new ATOM 0 HA GLU A 43 -3.382 -16.083 -0.630 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -3.934 -13.905 -1.212 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -2.819 -13.857 -2.563 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -4.941 -15.929 -2.813 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -5.547 -14.285 -2.778 1.00 0.00 H new ATOM 592 N GLN A 44 -1.730 -16.813 -3.349 1.00 0.00 N ATOM 593 CA GLN A 44 -1.561 -17.813 -4.390 1.00 0.00 C ATOM 594 C GLN A 44 -1.312 -19.189 -3.770 1.00 0.00 C ATOM 595 O GLN A 44 -1.680 -20.210 -4.348 1.00 0.00 O ATOM 596 CB GLN A 44 -0.427 -17.427 -5.342 1.00 0.00 C ATOM 597 CG GLN A 44 -0.870 -16.324 -6.305 1.00 0.00 C ATOM 598 CD GLN A 44 -0.684 -16.759 -7.760 1.00 0.00 C ATOM 599 OE1 GLN A 44 -1.162 -17.794 -8.191 1.00 0.00 O ATOM 600 NE2 GLN A 44 0.037 -15.911 -8.489 1.00 0.00 N ATOM 0 H GLN A 44 -0.992 -16.110 -3.309 1.00 0.00 H new ATOM 0 HA GLN A 44 -2.481 -17.861 -4.973 1.00 0.00 H new ATOM 0 HB2 GLN A 44 0.435 -17.088 -4.768 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -0.109 -18.303 -5.908 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -1.917 -16.079 -6.126 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -0.294 -15.418 -6.116 1.00 0.00 H new ATOM 0 HE21 GLN A 44 0.408 -15.061 -8.064 1.00 0.00 H new ATOM 0 HE22 GLN A 44 0.219 -16.111 -9.473 1.00 0.00 H new ATOM 609 N ALA A 45 -0.688 -19.172 -2.601 1.00 0.00 N ATOM 610 CA ALA A 45 -0.386 -20.405 -1.895 1.00 0.00 C ATOM 611 C ALA A 45 -1.684 -21.014 -1.362 1.00 0.00 C ATOM 612 O ALA A 45 -1.792 -22.232 -1.224 1.00 0.00 O ATOM 613 CB ALA A 45 0.626 -20.123 -0.783 1.00 0.00 C ATOM 0 H ALA A 45 -0.383 -18.323 -2.125 1.00 0.00 H new ATOM 0 HA ALA A 45 0.066 -21.132 -2.570 1.00 0.00 H new ATOM 0 HB1 ALA A 45 0.852 -21.049 -0.254 1.00 0.00 H new ATOM 0 HB2 ALA A 45 1.541 -19.720 -1.217 1.00 0.00 H new ATOM 0 HB3 ALA A 45 0.207 -19.399 -0.085 1.00 0.00 H new ATOM 619 N VAL A 46 -2.637 -20.139 -1.076 1.00 0.00 N ATOM 620 CA VAL A 46 -3.923 -20.575 -0.560 1.00 0.00 C ATOM 621 C VAL A 46 -4.721 -21.238 -1.685 1.00 0.00 C ATOM 622 O VAL A 46 -5.066 -22.415 -1.596 1.00 0.00 O ATOM 623 CB VAL A 46 -4.658 -19.395 0.078 1.00 0.00 C ATOM 624 CG1 VAL A 46 -6.173 -19.613 0.051 1.00 0.00 C ATOM 625 CG2 VAL A 46 -4.166 -19.150 1.506 1.00 0.00 C ATOM 0 H VAL A 46 -2.544 -19.130 -1.192 1.00 0.00 H new ATOM 0 HA VAL A 46 -3.787 -21.319 0.225 1.00 0.00 H new ATOM 0 HB VAL A 46 -4.436 -18.505 -0.511 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -6.672 -18.760 0.511 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -6.507 -19.716 -0.981 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -6.420 -20.519 0.604 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -4.705 -18.306 1.937 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -4.344 -20.040 2.110 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -3.099 -18.929 1.490 1.00 0.00 H new ATOM 635 N ASP A 47 -4.989 -20.453 -2.719 1.00 0.00 N ATOM 636 CA ASP A 47 -5.739 -20.950 -3.860 1.00 0.00 C ATOM 637 C ASP A 47 -5.276 -22.370 -4.191 1.00 0.00 C ATOM 638 O ASP A 47 -6.061 -23.186 -4.672 1.00 0.00 O ATOM 639 CB ASP A 47 -5.505 -20.077 -5.095 1.00 0.00 C ATOM 640 CG ASP A 47 -6.603 -20.152 -6.157 1.00 0.00 C ATOM 641 OD1 ASP A 47 -7.786 -20.151 -5.753 1.00 0.00 O ATOM 642 OD2 ASP A 47 -6.235 -20.209 -7.351 1.00 0.00 O ATOM 0 H ASP A 47 -4.700 -19.477 -2.790 1.00 0.00 H new ATOM 0 HA ASP A 47 -6.798 -20.933 -3.601 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -5.401 -19.040 -4.774 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -4.558 -20.366 -5.552 1.00 0.00 H new ATOM 647 N SER A 48 -4.004 -22.622 -3.919 1.00 0.00 N ATOM 648 CA SER A 48 -3.428 -23.930 -4.181 1.00 0.00 C ATOM 649 C SER A 48 -2.862 -24.521 -2.889 1.00 0.00 C ATOM 650 O SER A 48 -1.715 -24.964 -2.855 1.00 0.00 O ATOM 651 CB SER A 48 -2.336 -23.846 -5.249 1.00 0.00 C ATOM 652 OG SER A 48 -2.789 -23.179 -6.425 1.00 0.00 O ATOM 0 H SER A 48 -3.356 -21.943 -3.520 1.00 0.00 H new ATOM 0 HA SER A 48 -4.217 -24.582 -4.556 1.00 0.00 H new ATOM 0 HB2 SER A 48 -1.472 -23.319 -4.844 1.00 0.00 H new ATOM 0 HB3 SER A 48 -2.004 -24.851 -5.508 1.00 0.00 H new ATOM 0 HG SER A 48 -2.063 -23.144 -7.082 1.00 0.00 H new ATOM 658 N PHE A 49 -3.692 -24.509 -1.857 1.00 0.00 N ATOM 659 CA PHE A 49 -3.289 -25.039 -0.565 1.00 0.00 C ATOM 660 C PHE A 49 -4.031 -26.339 -0.249 1.00 0.00 C ATOM 661 O PHE A 49 -5.045 -26.647 -0.875 1.00 0.00 O ATOM 662 CB PHE A 49 -3.656 -23.988 0.484 1.00 0.00 C ATOM 663 CG PHE A 49 -3.744 -24.536 1.910 1.00 0.00 C ATOM 664 CD1 PHE A 49 -4.918 -25.044 2.372 1.00 0.00 C ATOM 665 CD2 PHE A 49 -2.648 -24.514 2.715 1.00 0.00 C ATOM 666 CE1 PHE A 49 -4.999 -25.552 3.696 1.00 0.00 C ATOM 667 CE2 PHE A 49 -2.729 -25.023 4.038 1.00 0.00 C ATOM 668 CZ PHE A 49 -3.903 -25.531 4.501 1.00 0.00 C ATOM 0 H PHE A 49 -4.643 -24.140 -1.889 1.00 0.00 H new ATOM 0 HA PHE A 49 -2.220 -25.254 -0.569 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -2.915 -23.189 0.458 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -4.614 -23.542 0.217 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -5.788 -25.061 1.733 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -1.716 -24.109 2.348 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -5.931 -25.955 4.064 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -1.858 -25.007 4.677 1.00 0.00 H new ATOM 0 HZ PHE A 49 -3.965 -25.918 5.508 1.00 0.00 H new ATOM 678 N GLU A 50 -3.499 -27.066 0.721 1.00 0.00 N ATOM 679 CA GLU A 50 -4.098 -28.326 1.128 1.00 0.00 C ATOM 680 C GLU A 50 -3.874 -28.563 2.623 1.00 0.00 C ATOM 681 O GLU A 50 -2.766 -28.378 3.125 1.00 0.00 O ATOM 682 CB GLU A 50 -3.547 -29.488 0.300 1.00 0.00 C ATOM 683 CG GLU A 50 -4.434 -30.727 0.434 1.00 0.00 C ATOM 684 CD GLU A 50 -4.679 -31.377 -0.929 1.00 0.00 C ATOM 685 OE1 GLU A 50 -5.505 -30.820 -1.683 1.00 0.00 O ATOM 686 OE2 GLU A 50 -4.034 -32.417 -1.185 1.00 0.00 O ATOM 0 H GLU A 50 -2.659 -26.807 1.238 1.00 0.00 H new ATOM 0 HA GLU A 50 -5.171 -28.270 0.946 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -3.483 -29.194 -0.748 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -2.535 -29.724 0.627 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -3.962 -31.446 1.104 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -5.387 -30.449 0.885 1.00 0.00 H new ATOM 693 N GLY A 51 -4.943 -28.968 3.292 1.00 0.00 N ATOM 694 CA GLY A 51 -4.877 -29.232 4.719 1.00 0.00 C ATOM 695 C GLY A 51 -6.107 -28.675 5.438 1.00 0.00 C ATOM 696 O GLY A 51 -7.144 -28.449 4.816 1.00 0.00 O ATOM 0 H GLY A 51 -5.860 -29.120 2.872 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -4.807 -30.306 4.891 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.975 -28.783 5.134 1.00 0.00 H new ATOM 700 N LYS A 52 -5.951 -28.469 6.737 1.00 0.00 N ATOM 701 CA LYS A 52 -7.037 -27.943 7.547 1.00 0.00 C ATOM 702 C LYS A 52 -6.571 -26.664 8.247 1.00 0.00 C ATOM 703 O LYS A 52 -5.703 -25.956 7.741 1.00 0.00 O ATOM 704 CB LYS A 52 -7.559 -29.014 8.506 1.00 0.00 C ATOM 705 CG LYS A 52 -7.378 -30.414 7.915 1.00 0.00 C ATOM 706 CD LYS A 52 -8.260 -30.605 6.680 1.00 0.00 C ATOM 707 CE LYS A 52 -7.569 -31.494 5.644 1.00 0.00 C ATOM 708 NZ LYS A 52 -8.403 -31.618 4.428 1.00 0.00 N ATOM 0 H LYS A 52 -5.089 -28.657 7.249 1.00 0.00 H new ATOM 0 HA LYS A 52 -7.885 -27.672 6.918 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -7.030 -28.945 9.456 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -8.614 -28.837 8.715 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -6.333 -30.567 7.647 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -7.628 -31.164 8.665 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -9.210 -31.053 6.973 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -8.488 -29.635 6.238 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -6.598 -31.073 5.384 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -7.385 -32.481 6.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -7.919 -32.225 3.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -9.320 -32.041 4.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -8.557 -30.676 4.015 1.00 0.00 H new ATOM 722 N LYS A 53 -7.169 -26.409 9.402 1.00 0.00 N ATOM 723 CA LYS A 53 -6.827 -25.229 10.177 1.00 0.00 C ATOM 724 C LYS A 53 -5.886 -25.627 11.316 1.00 0.00 C ATOM 725 O LYS A 53 -5.692 -24.864 12.261 1.00 0.00 O ATOM 726 CB LYS A 53 -8.093 -24.511 10.648 1.00 0.00 C ATOM 727 CG LYS A 53 -8.897 -23.980 9.459 1.00 0.00 C ATOM 728 CD LYS A 53 -9.986 -23.011 9.922 1.00 0.00 C ATOM 729 CE LYS A 53 -11.259 -23.179 9.090 1.00 0.00 C ATOM 730 NZ LYS A 53 -12.140 -24.204 9.694 1.00 0.00 N ATOM 0 H LYS A 53 -7.888 -27.000 9.819 1.00 0.00 H new ATOM 0 HA LYS A 53 -6.292 -24.509 9.558 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -8.709 -25.196 11.231 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -7.823 -23.686 11.307 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -8.229 -23.475 8.760 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -9.351 -24.813 8.921 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -10.209 -23.185 10.974 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -9.625 -21.986 9.838 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -11.788 -22.228 9.027 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -11.000 -23.468 8.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -13.000 -24.306 9.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -11.638 -25.114 9.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -12.402 -23.913 10.657 1.00 0.00 H new ATOM 744 N THR A 54 -5.327 -26.822 11.189 1.00 0.00 N ATOM 745 CA THR A 54 -4.412 -27.331 12.196 1.00 0.00 C ATOM 746 C THR A 54 -3.020 -27.537 11.596 1.00 0.00 C ATOM 747 O THR A 54 -2.013 -27.248 12.241 1.00 0.00 O ATOM 748 CB THR A 54 -5.016 -28.608 12.782 1.00 0.00 C ATOM 749 OG1 THR A 54 -4.923 -29.555 11.721 1.00 0.00 O ATOM 750 CG2 THR A 54 -6.519 -28.481 13.037 1.00 0.00 C ATOM 0 H THR A 54 -5.490 -27.452 10.404 1.00 0.00 H new ATOM 0 HA THR A 54 -4.279 -26.615 13.007 1.00 0.00 H new ATOM 0 HB THR A 54 -4.509 -28.854 13.715 1.00 0.00 H new ATOM 0 HG1 THR A 54 -5.291 -30.414 12.016 1.00 0.00 H new ATOM 0 HG21 THR A 54 -6.898 -29.415 13.453 1.00 0.00 H new ATOM 0 HG22 THR A 54 -6.701 -27.670 13.742 1.00 0.00 H new ATOM 0 HG23 THR A 54 -7.031 -28.268 12.098 1.00 0.00 H new ATOM 758 N ASP A 55 -3.007 -28.034 10.368 1.00 0.00 N ATOM 759 CA ASP A 55 -1.755 -28.283 9.674 1.00 0.00 C ATOM 760 C ASP A 55 -0.851 -27.055 9.807 1.00 0.00 C ATOM 761 O ASP A 55 -1.313 -25.923 9.677 1.00 0.00 O ATOM 762 CB ASP A 55 -1.992 -28.536 8.184 1.00 0.00 C ATOM 763 CG ASP A 55 -2.506 -29.935 7.839 1.00 0.00 C ATOM 764 OD1 ASP A 55 -3.666 -30.220 8.205 1.00 0.00 O ATOM 765 OD2 ASP A 55 -1.725 -30.689 7.218 1.00 0.00 O ATOM 0 H ASP A 55 -3.844 -28.271 9.836 1.00 0.00 H new ATOM 0 HA ASP A 55 -1.291 -29.163 10.120 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -2.708 -27.801 7.816 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -1.058 -28.367 7.649 1.00 0.00 H new ATOM 770 N LYS A 56 0.421 -27.322 10.064 1.00 0.00 N ATOM 771 CA LYS A 56 1.393 -26.253 10.216 1.00 0.00 C ATOM 772 C LYS A 56 1.302 -25.311 9.014 1.00 0.00 C ATOM 773 O LYS A 56 1.487 -24.103 9.152 1.00 0.00 O ATOM 774 CB LYS A 56 2.793 -26.830 10.441 1.00 0.00 C ATOM 775 CG LYS A 56 3.707 -25.805 11.116 1.00 0.00 C ATOM 776 CD LYS A 56 4.384 -24.907 10.078 1.00 0.00 C ATOM 777 CE LYS A 56 5.204 -23.809 10.757 1.00 0.00 C ATOM 778 NZ LYS A 56 6.645 -24.147 10.730 1.00 0.00 N ATOM 0 H LYS A 56 0.801 -28.263 10.171 1.00 0.00 H new ATOM 0 HA LYS A 56 1.171 -25.660 11.103 1.00 0.00 H new ATOM 0 HB2 LYS A 56 2.726 -27.725 11.059 1.00 0.00 H new ATOM 0 HB3 LYS A 56 3.223 -27.133 9.486 1.00 0.00 H new ATOM 0 HG2 LYS A 56 3.126 -25.194 11.807 1.00 0.00 H new ATOM 0 HG3 LYS A 56 4.465 -26.321 11.706 1.00 0.00 H new ATOM 0 HD2 LYS A 56 5.032 -25.507 9.439 1.00 0.00 H new ATOM 0 HD3 LYS A 56 3.629 -24.457 9.433 1.00 0.00 H new ATOM 0 HE2 LYS A 56 5.038 -22.858 10.252 1.00 0.00 H new ATOM 0 HE3 LYS A 56 4.873 -23.684 11.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 7.188 -23.391 11.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 6.801 -25.044 11.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 6.961 -24.243 9.744 1.00 0.00 H new ATOM 792 N LYS A 57 1.017 -25.900 7.862 1.00 0.00 N ATOM 793 CA LYS A 57 0.898 -25.129 6.636 1.00 0.00 C ATOM 794 C LYS A 57 -0.057 -23.957 6.867 1.00 0.00 C ATOM 795 O LYS A 57 0.329 -22.798 6.722 1.00 0.00 O ATOM 796 CB LYS A 57 0.492 -26.033 5.471 1.00 0.00 C ATOM 797 CG LYS A 57 0.787 -25.362 4.128 1.00 0.00 C ATOM 798 CD LYS A 57 1.046 -26.405 3.039 1.00 0.00 C ATOM 799 CE LYS A 57 2.505 -26.368 2.580 1.00 0.00 C ATOM 800 NZ LYS A 57 2.641 -26.968 1.234 1.00 0.00 N ATOM 0 H LYS A 57 0.865 -26.903 7.752 1.00 0.00 H new ATOM 0 HA LYS A 57 1.863 -24.705 6.358 1.00 0.00 H new ATOM 0 HB2 LYS A 57 1.030 -26.979 5.535 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -0.571 -26.266 5.540 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.054 -24.731 3.840 1.00 0.00 H new ATOM 0 HG3 LYS A 57 1.655 -24.710 4.226 1.00 0.00 H new ATOM 0 HD2 LYS A 57 0.805 -27.398 3.417 1.00 0.00 H new ATOM 0 HD3 LYS A 57 0.389 -26.220 2.189 1.00 0.00 H new ATOM 0 HE2 LYS A 57 2.861 -25.338 2.563 1.00 0.00 H new ATOM 0 HE3 LYS A 57 3.130 -26.909 3.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 3.637 -26.935 0.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 2.321 -27.957 1.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 2.060 -26.434 0.556 1.00 0.00 H new ATOM 814 N TYR A 58 -1.287 -24.298 7.222 1.00 0.00 N ATOM 815 CA TYR A 58 -2.301 -23.289 7.474 1.00 0.00 C ATOM 816 C TYR A 58 -1.733 -22.136 8.305 1.00 0.00 C ATOM 817 O TYR A 58 -1.853 -20.973 7.923 1.00 0.00 O ATOM 818 CB TYR A 58 -3.401 -23.986 8.277 1.00 0.00 C ATOM 819 CG TYR A 58 -4.556 -23.067 8.680 1.00 0.00 C ATOM 820 CD1 TYR A 58 -5.341 -22.480 7.709 1.00 0.00 C ATOM 821 CD2 TYR A 58 -4.812 -22.826 10.014 1.00 0.00 C ATOM 822 CE1 TYR A 58 -6.428 -21.615 8.088 1.00 0.00 C ATOM 823 CE2 TYR A 58 -5.899 -21.960 10.394 1.00 0.00 C ATOM 824 CZ TYR A 58 -6.653 -21.398 9.412 1.00 0.00 C ATOM 825 OH TYR A 58 -7.680 -20.581 9.770 1.00 0.00 O ATOM 0 H TYR A 58 -1.604 -25.260 7.341 1.00 0.00 H new ATOM 0 HA TYR A 58 -2.668 -22.873 6.536 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -3.797 -24.813 7.688 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -2.962 -24.417 9.177 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -5.140 -22.669 6.665 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -4.198 -23.286 10.774 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -7.050 -21.149 7.338 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -6.110 -21.762 11.435 1.00 0.00 H new ATOM 0 HH TYR A 58 -7.723 -20.519 10.747 1.00 0.00 H new ATOM 835 N LEU A 59 -1.126 -22.500 9.425 1.00 0.00 N ATOM 836 CA LEU A 59 -0.539 -21.511 10.313 1.00 0.00 C ATOM 837 C LEU A 59 0.647 -20.843 9.613 1.00 0.00 C ATOM 838 O LEU A 59 0.977 -19.695 9.903 1.00 0.00 O ATOM 839 CB LEU A 59 -0.181 -22.144 11.659 1.00 0.00 C ATOM 840 CG LEU A 59 -1.303 -22.917 12.356 1.00 0.00 C ATOM 841 CD1 LEU A 59 -2.640 -22.187 12.215 1.00 0.00 C ATOM 842 CD2 LEU A 59 -1.378 -24.356 11.842 1.00 0.00 C ATOM 0 H LEU A 59 -1.028 -23.466 9.738 1.00 0.00 H new ATOM 0 HA LEU A 59 -1.261 -20.726 10.538 1.00 0.00 H new ATOM 0 HB2 LEU A 59 0.660 -22.821 11.508 1.00 0.00 H new ATOM 0 HB3 LEU A 59 0.161 -21.356 12.329 1.00 0.00 H new ATOM 0 HG LEU A 59 -1.074 -22.967 13.421 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.421 -22.757 12.719 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -2.564 -21.198 12.667 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -2.889 -22.085 11.159 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -2.183 -24.883 12.353 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -1.572 -24.350 10.769 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -0.432 -24.862 12.037 1.00 0.00 H new ATOM 854 N MET A 60 1.254 -21.592 8.704 1.00 0.00 N ATOM 855 CA MET A 60 2.396 -21.087 7.960 1.00 0.00 C ATOM 856 C MET A 60 1.987 -19.931 7.045 1.00 0.00 C ATOM 857 O MET A 60 2.694 -18.930 6.950 1.00 0.00 O ATOM 858 CB MET A 60 2.997 -22.215 7.120 1.00 0.00 C ATOM 859 CG MET A 60 4.517 -22.273 7.287 1.00 0.00 C ATOM 860 SD MET A 60 5.222 -23.387 6.084 1.00 0.00 S ATOM 861 CE MET A 60 4.798 -22.526 4.579 1.00 0.00 C ATOM 0 H MET A 60 0.977 -22.544 8.466 1.00 0.00 H new ATOM 0 HA MET A 60 3.135 -20.718 8.671 1.00 0.00 H new ATOM 0 HB2 MET A 60 2.558 -23.168 7.417 1.00 0.00 H new ATOM 0 HB3 MET A 60 2.748 -22.063 6.070 1.00 0.00 H new ATOM 0 HG2 MET A 60 4.943 -21.277 7.165 1.00 0.00 H new ATOM 0 HG3 MET A 60 4.768 -22.606 8.294 1.00 0.00 H new ATOM 0 HE1 MET A 60 5.667 -22.493 3.921 1.00 0.00 H new ATOM 0 HE2 MET A 60 3.983 -23.049 4.078 1.00 0.00 H new ATOM 0 HE3 MET A 60 4.485 -21.509 4.817 1.00 0.00 H new ATOM 871 N ILE A 61 0.846 -20.109 6.395 1.00 0.00 N ATOM 872 CA ILE A 61 0.334 -19.093 5.491 1.00 0.00 C ATOM 873 C ILE A 61 -0.290 -17.958 6.306 1.00 0.00 C ATOM 874 O ILE A 61 0.125 -16.806 6.190 1.00 0.00 O ATOM 875 CB ILE A 61 -0.623 -19.716 4.472 1.00 0.00 C ATOM 876 CG1 ILE A 61 0.097 -20.753 3.607 1.00 0.00 C ATOM 877 CG2 ILE A 61 -1.303 -18.636 3.627 1.00 0.00 C ATOM 878 CD1 ILE A 61 -0.897 -21.745 3.000 1.00 0.00 C ATOM 0 H ILE A 61 0.262 -20.941 6.476 1.00 0.00 H new ATOM 0 HA ILE A 61 1.146 -18.658 4.908 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.408 -20.240 5.016 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.646 -20.250 2.811 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.830 -21.289 4.210 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.978 -19.105 2.911 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.870 -17.969 4.277 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -0.546 -18.063 3.091 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.360 -22.471 2.390 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -1.427 -22.264 3.799 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.613 -21.208 2.378 1.00 0.00 H new ATOM 890 N GLU A 62 -1.276 -18.324 7.112 1.00 0.00 N ATOM 891 CA GLU A 62 -1.960 -17.351 7.946 1.00 0.00 C ATOM 892 C GLU A 62 -0.969 -16.311 8.472 1.00 0.00 C ATOM 893 O GLU A 62 -1.103 -15.122 8.189 1.00 0.00 O ATOM 894 CB GLU A 62 -2.697 -18.038 9.098 1.00 0.00 C ATOM 895 CG GLU A 62 -3.916 -17.222 9.533 1.00 0.00 C ATOM 896 CD GLU A 62 -3.517 -15.790 9.896 1.00 0.00 C ATOM 897 OE1 GLU A 62 -3.373 -14.984 8.951 1.00 0.00 O ATOM 898 OE2 GLU A 62 -3.364 -15.534 11.110 1.00 0.00 O ATOM 0 H GLU A 62 -1.617 -19.281 7.205 1.00 0.00 H new ATOM 0 HA GLU A 62 -2.704 -16.839 7.336 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -3.013 -19.034 8.789 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -2.020 -18.166 9.943 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -4.652 -17.205 8.730 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -4.390 -17.699 10.390 1.00 0.00 H new ATOM 905 N GLU A 63 0.004 -16.798 9.228 1.00 0.00 N ATOM 906 CA GLU A 63 1.018 -15.925 9.796 1.00 0.00 C ATOM 907 C GLU A 63 1.441 -14.868 8.774 1.00 0.00 C ATOM 908 O GLU A 63 1.224 -13.675 8.984 1.00 0.00 O ATOM 909 CB GLU A 63 2.224 -16.731 10.283 1.00 0.00 C ATOM 910 CG GLU A 63 2.171 -16.936 11.798 1.00 0.00 C ATOM 911 CD GLU A 63 0.894 -17.672 12.207 1.00 0.00 C ATOM 912 OE1 GLU A 63 -0.110 -16.969 12.459 1.00 0.00 O ATOM 913 OE2 GLU A 63 0.949 -18.919 12.260 1.00 0.00 O ATOM 0 H GLU A 63 0.112 -17.785 9.460 1.00 0.00 H new ATOM 0 HA GLU A 63 0.590 -15.416 10.660 1.00 0.00 H new ATOM 0 HB2 GLU A 63 2.245 -17.699 9.782 1.00 0.00 H new ATOM 0 HB3 GLU A 63 3.145 -16.213 10.015 1.00 0.00 H new ATOM 0 HG2 GLU A 63 3.043 -17.505 12.122 1.00 0.00 H new ATOM 0 HG3 GLU A 63 2.215 -15.970 12.301 1.00 0.00 H new ATOM 920 N TYR A 64 2.038 -15.343 7.691 1.00 0.00 N ATOM 921 CA TYR A 64 2.493 -14.453 6.636 1.00 0.00 C ATOM 922 C TYR A 64 1.403 -13.450 6.257 1.00 0.00 C ATOM 923 O TYR A 64 1.667 -12.254 6.141 1.00 0.00 O ATOM 924 CB TYR A 64 2.791 -15.346 5.430 1.00 0.00 C ATOM 925 CG TYR A 64 3.932 -16.339 5.657 1.00 0.00 C ATOM 926 CD1 TYR A 64 5.038 -15.963 6.392 1.00 0.00 C ATOM 927 CD2 TYR A 64 3.856 -17.611 5.127 1.00 0.00 C ATOM 928 CE1 TYR A 64 6.112 -16.898 6.606 1.00 0.00 C ATOM 929 CE2 TYR A 64 4.930 -18.546 5.341 1.00 0.00 C ATOM 930 CZ TYR A 64 6.006 -18.143 6.070 1.00 0.00 C ATOM 931 OH TYR A 64 7.020 -19.026 6.272 1.00 0.00 O ATOM 0 H TYR A 64 2.217 -16.333 7.521 1.00 0.00 H new ATOM 0 HA TYR A 64 3.365 -13.886 6.962 1.00 0.00 H new ATOM 0 HB2 TYR A 64 1.889 -15.899 5.169 1.00 0.00 H new ATOM 0 HB3 TYR A 64 3.037 -14.715 4.576 1.00 0.00 H new ATOM 0 HD1 TYR A 64 5.098 -14.968 6.807 1.00 0.00 H new ATOM 0 HD2 TYR A 64 2.991 -17.905 4.552 1.00 0.00 H new ATOM 0 HE1 TYR A 64 6.983 -16.616 7.180 1.00 0.00 H new ATOM 0 HE2 TYR A 64 4.883 -19.545 4.932 1.00 0.00 H new ATOM 0 HH TYR A 64 6.807 -19.875 5.832 1.00 0.00 H new ATOM 941 N LEU A 65 0.200 -13.973 6.073 1.00 0.00 N ATOM 942 CA LEU A 65 -0.932 -13.138 5.708 1.00 0.00 C ATOM 943 C LEU A 65 -1.072 -12.003 6.725 1.00 0.00 C ATOM 944 O LEU A 65 -0.717 -10.861 6.438 1.00 0.00 O ATOM 945 CB LEU A 65 -2.197 -13.986 5.556 1.00 0.00 C ATOM 946 CG LEU A 65 -2.408 -14.634 4.186 1.00 0.00 C ATOM 947 CD1 LEU A 65 -1.332 -15.685 3.905 1.00 0.00 C ATOM 948 CD2 LEU A 65 -3.820 -15.213 4.066 1.00 0.00 C ATOM 0 H LEU A 65 -0.016 -14.965 6.170 1.00 0.00 H new ATOM 0 HA LEU A 65 -0.766 -12.677 4.735 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -2.175 -14.774 6.309 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -3.060 -13.358 5.776 1.00 0.00 H new ATOM 0 HG LEU A 65 -2.310 -13.861 3.423 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -1.505 -16.130 2.925 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -0.350 -15.213 3.921 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -1.374 -16.462 4.669 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -3.944 -15.668 3.083 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -3.970 -15.969 4.837 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -4.552 -14.415 4.192 1.00 0.00 H new ATOM 960 N THR A 66 -1.588 -12.358 7.893 1.00 0.00 N ATOM 961 CA THR A 66 -1.779 -11.384 8.954 1.00 0.00 C ATOM 962 C THR A 66 -0.524 -10.525 9.121 1.00 0.00 C ATOM 963 O THR A 66 -0.615 -9.305 9.246 1.00 0.00 O ATOM 964 CB THR A 66 -2.172 -12.140 10.225 1.00 0.00 C ATOM 965 OG1 THR A 66 -3.518 -12.542 9.987 1.00 0.00 O ATOM 966 CG2 THR A 66 -2.266 -11.222 11.446 1.00 0.00 C ATOM 0 H THR A 66 -1.880 -13.307 8.128 1.00 0.00 H new ATOM 0 HA THR A 66 -2.582 -10.687 8.712 1.00 0.00 H new ATOM 0 HB THR A 66 -1.444 -12.928 10.419 1.00 0.00 H new ATOM 0 HG1 THR A 66 -3.525 -13.349 9.431 1.00 0.00 H new ATOM 0 HG21 THR A 66 -2.548 -11.808 12.321 1.00 0.00 H new ATOM 0 HG22 THR A 66 -1.299 -10.750 11.621 1.00 0.00 H new ATOM 0 HG23 THR A 66 -3.018 -10.454 11.266 1.00 0.00 H new ATOM 974 N LYS A 67 0.618 -11.196 9.117 1.00 0.00 N ATOM 975 CA LYS A 67 1.890 -10.510 9.266 1.00 0.00 C ATOM 976 C LYS A 67 1.891 -9.251 8.397 1.00 0.00 C ATOM 977 O LYS A 67 2.395 -8.207 8.809 1.00 0.00 O ATOM 978 CB LYS A 67 3.051 -11.462 8.971 1.00 0.00 C ATOM 979 CG LYS A 67 3.497 -12.192 10.239 1.00 0.00 C ATOM 980 CD LYS A 67 4.284 -13.458 9.894 1.00 0.00 C ATOM 981 CE LYS A 67 4.738 -14.184 11.162 1.00 0.00 C ATOM 982 NZ LYS A 67 6.070 -14.797 10.960 1.00 0.00 N ATOM 0 H LYS A 67 0.689 -12.208 9.013 1.00 0.00 H new ATOM 0 HA LYS A 67 2.029 -10.186 10.297 1.00 0.00 H new ATOM 0 HB2 LYS A 67 2.748 -12.188 8.217 1.00 0.00 H new ATOM 0 HB3 LYS A 67 3.889 -10.902 8.556 1.00 0.00 H new ATOM 0 HG2 LYS A 67 4.114 -11.530 10.846 1.00 0.00 H new ATOM 0 HG3 LYS A 67 2.625 -12.453 10.838 1.00 0.00 H new ATOM 0 HD2 LYS A 67 3.665 -14.123 9.292 1.00 0.00 H new ATOM 0 HD3 LYS A 67 5.153 -13.197 9.289 1.00 0.00 H new ATOM 0 HE2 LYS A 67 4.777 -13.483 11.996 1.00 0.00 H new ATOM 0 HE3 LYS A 67 4.013 -14.954 11.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 6.363 -15.286 11.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 6.022 -15.481 10.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 6.762 -14.056 10.730 1.00 0.00 H new ATOM 996 N GLU A 68 1.320 -9.390 7.209 1.00 0.00 N ATOM 997 CA GLU A 68 1.248 -8.277 6.278 1.00 0.00 C ATOM 998 C GLU A 68 0.259 -7.225 6.784 1.00 0.00 C ATOM 999 O GLU A 68 0.509 -6.026 6.667 1.00 0.00 O ATOM 1000 CB GLU A 68 0.868 -8.759 4.877 1.00 0.00 C ATOM 1001 CG GLU A 68 1.980 -9.617 4.271 1.00 0.00 C ATOM 1002 CD GLU A 68 3.304 -8.851 4.234 1.00 0.00 C ATOM 1003 OE1 GLU A 68 3.982 -8.838 5.284 1.00 0.00 O ATOM 1004 OE2 GLU A 68 3.609 -8.296 3.156 1.00 0.00 O ATOM 0 H GLU A 68 0.903 -10.257 6.870 1.00 0.00 H new ATOM 0 HA GLU A 68 2.234 -7.818 6.213 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -0.056 -9.336 4.925 1.00 0.00 H new ATOM 0 HB3 GLU A 68 0.675 -7.901 4.233 1.00 0.00 H new ATOM 0 HG2 GLU A 68 2.100 -10.529 4.855 1.00 0.00 H new ATOM 0 HG3 GLU A 68 1.702 -9.919 3.261 1.00 0.00 H new ATOM 1011 N LEU A 69 -0.844 -7.712 7.334 1.00 0.00 N ATOM 1012 CA LEU A 69 -1.872 -6.828 7.858 1.00 0.00 C ATOM 1013 C LEU A 69 -1.219 -5.758 8.736 1.00 0.00 C ATOM 1014 O LEU A 69 -1.381 -4.564 8.489 1.00 0.00 O ATOM 1015 CB LEU A 69 -2.957 -7.634 8.575 1.00 0.00 C ATOM 1016 CG LEU A 69 -4.343 -7.616 7.928 1.00 0.00 C ATOM 1017 CD1 LEU A 69 -4.614 -8.919 7.174 1.00 0.00 C ATOM 1018 CD2 LEU A 69 -5.428 -7.317 8.965 1.00 0.00 C ATOM 0 H LEU A 69 -1.048 -8.707 7.428 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.379 -6.308 7.045 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.625 -8.670 8.647 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -3.048 -7.257 9.594 1.00 0.00 H new ATOM 0 HG LEU A 69 -4.367 -6.810 7.195 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -5.606 -8.879 6.724 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -3.866 -9.049 6.392 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.564 -9.758 7.868 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -6.404 -7.310 8.479 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.413 -8.085 9.739 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -5.241 -6.343 9.417 1.00 0.00 H new ATOM 1030 N LEU A 70 -0.496 -6.225 9.743 1.00 0.00 N ATOM 1031 CA LEU A 70 0.181 -5.323 10.660 1.00 0.00 C ATOM 1032 C LEU A 70 1.026 -4.330 9.859 1.00 0.00 C ATOM 1033 O LEU A 70 1.168 -3.173 10.252 1.00 0.00 O ATOM 1034 CB LEU A 70 0.980 -6.114 11.697 1.00 0.00 C ATOM 1035 CG LEU A 70 0.166 -7.022 12.622 1.00 0.00 C ATOM 1036 CD1 LEU A 70 0.888 -8.348 12.863 1.00 0.00 C ATOM 1037 CD2 LEU A 70 -0.174 -6.307 13.931 1.00 0.00 C ATOM 0 H LEU A 70 -0.364 -7.216 9.944 1.00 0.00 H new ATOM 0 HA LEU A 70 -0.545 -4.740 11.228 1.00 0.00 H new ATOM 0 HB2 LEU A 70 1.712 -6.727 11.172 1.00 0.00 H new ATOM 0 HB3 LEU A 70 1.538 -5.408 12.312 1.00 0.00 H new ATOM 0 HG LEU A 70 -0.777 -7.255 12.128 1.00 0.00 H new ATOM 0 HD11 LEU A 70 0.288 -8.974 13.523 1.00 0.00 H new ATOM 0 HD12 LEU A 70 1.035 -8.860 11.912 1.00 0.00 H new ATOM 0 HD13 LEU A 70 1.856 -8.156 13.326 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -0.753 -6.974 14.570 1.00 0.00 H new ATOM 0 HD22 LEU A 70 0.747 -6.024 14.441 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -0.759 -5.413 13.716 1.00 0.00 H new ATOM 1049 N ALA A 71 1.564 -4.818 8.751 1.00 0.00 N ATOM 1050 CA ALA A 71 2.391 -3.988 7.892 1.00 0.00 C ATOM 1051 C ALA A 71 1.500 -3.008 7.126 1.00 0.00 C ATOM 1052 O ALA A 71 1.950 -1.934 6.728 1.00 0.00 O ATOM 1053 CB ALA A 71 3.214 -4.878 6.960 1.00 0.00 C ATOM 0 H ALA A 71 1.443 -5.778 8.428 1.00 0.00 H new ATOM 0 HA ALA A 71 3.092 -3.402 8.485 1.00 0.00 H new ATOM 0 HB1 ALA A 71 3.834 -4.255 6.316 1.00 0.00 H new ATOM 0 HB2 ALA A 71 3.851 -5.534 7.553 1.00 0.00 H new ATOM 0 HB3 ALA A 71 2.544 -5.480 6.346 1.00 0.00 H new ATOM 1059 N LEU A 72 0.251 -3.412 6.943 1.00 0.00 N ATOM 1060 CA LEU A 72 -0.707 -2.583 6.232 1.00 0.00 C ATOM 1061 C LEU A 72 -1.219 -1.486 7.167 1.00 0.00 C ATOM 1062 O LEU A 72 -1.529 -0.382 6.724 1.00 0.00 O ATOM 1063 CB LEU A 72 -1.818 -3.445 5.629 1.00 0.00 C ATOM 1064 CG LEU A 72 -1.436 -4.262 4.392 1.00 0.00 C ATOM 1065 CD1 LEU A 72 -2.484 -5.338 4.101 1.00 0.00 C ATOM 1066 CD2 LEU A 72 -1.199 -3.352 3.186 1.00 0.00 C ATOM 0 H LEU A 72 -0.119 -4.303 7.275 1.00 0.00 H new ATOM 0 HA LEU A 72 -0.228 -2.085 5.389 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.176 -4.131 6.397 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -2.653 -2.795 5.367 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.496 -4.775 4.598 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -2.189 -5.904 3.218 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -2.561 -6.012 4.955 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -3.450 -4.866 3.923 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -0.929 -3.958 2.321 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -2.109 -2.793 2.968 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -0.390 -2.656 3.409 1.00 0.00 H new ATOM 1078 N ASP A 73 -1.293 -1.829 8.445 1.00 0.00 N ATOM 1079 CA ASP A 73 -1.763 -0.888 9.447 1.00 0.00 C ATOM 1080 C ASP A 73 -0.595 -0.012 9.905 1.00 0.00 C ATOM 1081 O ASP A 73 -0.775 1.172 10.186 1.00 0.00 O ATOM 1082 CB ASP A 73 -2.315 -1.618 10.673 1.00 0.00 C ATOM 1083 CG ASP A 73 -3.728 -1.204 11.090 1.00 0.00 C ATOM 1084 OD1 ASP A 73 -4.445 -0.672 10.215 1.00 0.00 O ATOM 1085 OD2 ASP A 73 -4.059 -1.429 12.274 1.00 0.00 O ATOM 0 H ASP A 73 -1.035 -2.746 8.809 1.00 0.00 H new ATOM 0 HA ASP A 73 -2.554 -0.286 8.999 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -2.311 -2.689 10.472 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -1.640 -1.449 11.512 1.00 0.00 H new ATOM 1090 N SER A 74 0.577 -0.628 9.966 1.00 0.00 N ATOM 1091 CA SER A 74 1.774 0.080 10.385 1.00 0.00 C ATOM 1092 C SER A 74 1.903 1.394 9.611 1.00 0.00 C ATOM 1093 O SER A 74 2.558 2.328 10.071 1.00 0.00 O ATOM 1094 CB SER A 74 3.023 -0.780 10.181 1.00 0.00 C ATOM 1095 OG SER A 74 4.214 -0.087 10.544 1.00 0.00 O ATOM 0 H SER A 74 0.723 -1.610 9.732 1.00 0.00 H new ATOM 0 HA SER A 74 1.686 0.299 11.449 1.00 0.00 H new ATOM 0 HB2 SER A 74 2.938 -1.690 10.775 1.00 0.00 H new ATOM 0 HB3 SER A 74 3.086 -1.086 9.137 1.00 0.00 H new ATOM 0 HG SER A 74 4.988 -0.670 10.401 1.00 0.00 H new ATOM 1101 N VAL A 75 1.267 1.424 8.449 1.00 0.00 N ATOM 1102 CA VAL A 75 1.302 2.607 7.607 1.00 0.00 C ATOM 1103 C VAL A 75 0.469 3.715 8.256 1.00 0.00 C ATOM 1104 O VAL A 75 -0.630 3.463 8.748 1.00 0.00 O ATOM 1105 CB VAL A 75 0.833 2.258 6.193 1.00 0.00 C ATOM 1106 CG1 VAL A 75 0.711 3.515 5.329 1.00 0.00 C ATOM 1107 CG2 VAL A 75 1.766 1.234 5.543 1.00 0.00 C ATOM 0 H VAL A 75 0.724 0.647 8.071 1.00 0.00 H new ATOM 0 HA VAL A 75 2.322 2.979 7.514 1.00 0.00 H new ATOM 0 HB VAL A 75 -0.157 1.808 6.270 1.00 0.00 H new ATOM 0 HG11 VAL A 75 0.376 3.238 4.329 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -0.012 4.196 5.778 1.00 0.00 H new ATOM 0 HG13 VAL A 75 1.681 4.007 5.263 1.00 0.00 H new ATOM 0 HG21 VAL A 75 1.410 1.003 4.539 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.774 1.645 5.485 1.00 0.00 H new ATOM 0 HG23 VAL A 75 1.780 0.323 6.141 1.00 0.00 H new ATOM 1117 N ASP A 76 1.025 4.917 8.237 1.00 0.00 N ATOM 1118 CA ASP A 76 0.347 6.064 8.817 1.00 0.00 C ATOM 1119 C ASP A 76 0.009 7.065 7.711 1.00 0.00 C ATOM 1120 O ASP A 76 0.881 7.798 7.244 1.00 0.00 O ATOM 1121 CB ASP A 76 1.239 6.772 9.839 1.00 0.00 C ATOM 1122 CG ASP A 76 1.658 5.915 11.036 1.00 0.00 C ATOM 1123 OD1 ASP A 76 0.822 5.088 11.462 1.00 0.00 O ATOM 1124 OD2 ASP A 76 2.804 6.105 11.497 1.00 0.00 O ATOM 0 H ASP A 76 1.937 5.122 7.829 1.00 0.00 H new ATOM 0 HA ASP A 76 -0.556 5.707 9.312 1.00 0.00 H new ATOM 0 HB2 ASP A 76 2.137 7.125 9.332 1.00 0.00 H new ATOM 0 HB3 ASP A 76 0.714 7.653 10.208 1.00 0.00 H new ATOM 1129 N PRO A 77 -1.291 7.065 7.314 1.00 0.00 N ATOM 1130 CA PRO A 77 -1.755 7.965 6.271 1.00 0.00 C ATOM 1131 C PRO A 77 -1.880 9.396 6.797 1.00 0.00 C ATOM 1132 O PRO A 77 -1.859 10.351 6.021 1.00 0.00 O ATOM 1133 CB PRO A 77 -3.082 7.383 5.811 1.00 0.00 C ATOM 1134 CG PRO A 77 -3.536 6.451 6.923 1.00 0.00 C ATOM 1135 CD PRO A 77 -2.351 6.212 7.844 1.00 0.00 C ATOM 0 HA PRO A 77 -1.057 8.038 5.437 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -3.815 8.171 5.638 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -2.967 6.843 4.871 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -4.366 6.892 7.475 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -3.894 5.508 6.509 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -2.591 6.473 8.874 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -2.053 5.163 7.842 1.00 0.00 H new ATOM 1143 N GLU A 78 -2.007 9.500 8.112 1.00 0.00 N ATOM 1144 CA GLU A 78 -2.135 10.799 8.751 1.00 0.00 C ATOM 1145 C GLU A 78 -3.505 11.408 8.446 1.00 0.00 C ATOM 1146 O GLU A 78 -4.292 11.660 9.357 1.00 0.00 O ATOM 1147 CB GLU A 78 -1.009 11.738 8.314 1.00 0.00 C ATOM 1148 CG GLU A 78 -0.004 11.954 9.448 1.00 0.00 C ATOM 1149 CD GLU A 78 0.275 13.443 9.658 1.00 0.00 C ATOM 1150 OE1 GLU A 78 -0.655 14.134 10.127 1.00 0.00 O ATOM 1151 OE2 GLU A 78 1.412 13.858 9.343 1.00 0.00 O ATOM 0 H GLU A 78 -2.024 8.706 8.752 1.00 0.00 H new ATOM 0 HA GLU A 78 -2.052 10.661 9.829 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -0.499 11.321 7.446 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -1.428 12.696 8.007 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -0.391 11.520 10.370 1.00 0.00 H new ATOM 0 HG3 GLU A 78 0.926 11.435 9.218 1.00 0.00 H new ATOM 1158 N GLY A 79 -3.748 11.626 7.162 1.00 0.00 N ATOM 1159 CA GLY A 79 -5.010 12.200 6.727 1.00 0.00 C ATOM 1160 C GLY A 79 -5.102 12.226 5.200 1.00 0.00 C ATOM 1161 O GLY A 79 -5.649 13.165 4.623 1.00 0.00 O ATOM 0 H GLY A 79 -3.093 11.416 6.409 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -5.838 11.620 7.135 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -5.107 13.213 7.118 1.00 0.00 H new ATOM 1165 N ARG A 80 -4.559 11.183 4.588 1.00 0.00 N ATOM 1166 CA ARG A 80 -4.573 11.074 3.139 1.00 0.00 C ATOM 1167 C ARG A 80 -5.657 10.092 2.691 1.00 0.00 C ATOM 1168 O ARG A 80 -5.898 9.083 3.353 1.00 0.00 O ATOM 1169 CB ARG A 80 -3.218 10.604 2.609 1.00 0.00 C ATOM 1170 CG ARG A 80 -2.111 11.595 2.976 1.00 0.00 C ATOM 1171 CD ARG A 80 -1.500 12.223 1.721 1.00 0.00 C ATOM 1172 NE ARG A 80 -0.270 12.966 2.076 1.00 0.00 N ATOM 1173 CZ ARG A 80 0.343 13.836 1.261 1.00 0.00 C ATOM 1174 NH1 ARG A 80 -0.156 14.077 0.041 1.00 0.00 N ATOM 1175 NH2 ARG A 80 1.454 14.465 1.667 1.00 0.00 N ATOM 0 H ARG A 80 -4.107 10.406 5.070 1.00 0.00 H new ATOM 0 HA ARG A 80 -4.785 12.064 2.734 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -2.983 9.622 3.021 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -3.266 10.492 1.526 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -2.516 12.377 3.618 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -1.335 11.084 3.546 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -1.268 11.447 0.992 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -2.219 12.896 1.254 1.00 0.00 H new ATOM 0 HE ARG A 80 0.136 12.806 2.998 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -1.002 13.598 -0.268 1.00 0.00 H new ATOM 0 HH12 ARG A 80 0.310 14.739 -0.579 1.00 0.00 H new ATOM 0 HH21 ARG A 80 1.833 14.282 2.596 1.00 0.00 H new ATOM 0 HH22 ARG A 80 1.921 15.127 1.047 1.00 0.00 H new ATOM 1189 N ALA A 81 -6.282 10.420 1.570 1.00 0.00 N ATOM 1190 CA ALA A 81 -7.335 9.579 1.026 1.00 0.00 C ATOM 1191 C ALA A 81 -6.708 8.465 0.186 1.00 0.00 C ATOM 1192 O ALA A 81 -6.922 7.284 0.456 1.00 0.00 O ATOM 1193 CB ALA A 81 -8.310 10.439 0.219 1.00 0.00 C ATOM 0 H ALA A 81 -6.079 11.257 1.023 1.00 0.00 H new ATOM 0 HA ALA A 81 -7.903 9.108 1.828 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -9.100 9.808 -0.189 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -8.750 11.197 0.868 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -7.776 10.926 -0.597 1.00 0.00 H new ATOM 1199 N ASP A 82 -5.946 8.879 -0.816 1.00 0.00 N ATOM 1200 CA ASP A 82 -5.287 7.931 -1.697 1.00 0.00 C ATOM 1201 C ASP A 82 -4.648 6.822 -0.859 1.00 0.00 C ATOM 1202 O ASP A 82 -4.578 5.673 -1.293 1.00 0.00 O ATOM 1203 CB ASP A 82 -4.181 8.609 -2.508 1.00 0.00 C ATOM 1204 CG ASP A 82 -4.488 8.792 -3.995 1.00 0.00 C ATOM 1205 OD1 ASP A 82 -5.684 8.973 -4.309 1.00 0.00 O ATOM 1206 OD2 ASP A 82 -3.520 8.748 -4.785 1.00 0.00 O ATOM 0 H ASP A 82 -5.771 9.859 -1.037 1.00 0.00 H new ATOM 0 HA ASP A 82 -6.036 7.526 -2.378 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -3.979 9.587 -2.071 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -3.268 8.022 -2.411 1.00 0.00 H new ATOM 1211 N VAL A 83 -4.196 7.205 0.326 1.00 0.00 N ATOM 1212 CA VAL A 83 -3.565 6.258 1.229 1.00 0.00 C ATOM 1213 C VAL A 83 -4.644 5.529 2.032 1.00 0.00 C ATOM 1214 O VAL A 83 -4.719 4.301 2.006 1.00 0.00 O ATOM 1215 CB VAL A 83 -2.545 6.978 2.113 1.00 0.00 C ATOM 1216 CG1 VAL A 83 -1.707 5.977 2.910 1.00 0.00 C ATOM 1217 CG2 VAL A 83 -1.653 7.901 1.282 1.00 0.00 C ATOM 0 H VAL A 83 -4.254 8.159 0.682 1.00 0.00 H new ATOM 0 HA VAL A 83 -3.013 5.504 0.668 1.00 0.00 H new ATOM 0 HB VAL A 83 -3.095 7.595 2.823 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -0.990 6.515 3.530 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -2.361 5.380 3.546 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -1.172 5.321 2.223 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -0.937 8.400 1.935 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -1.116 7.314 0.537 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -2.269 8.648 0.781 1.00 0.00 H new ATOM 1227 N ARG A 84 -5.452 6.315 2.727 1.00 0.00 N ATOM 1228 CA ARG A 84 -6.523 5.760 3.537 1.00 0.00 C ATOM 1229 C ARG A 84 -7.199 4.601 2.800 1.00 0.00 C ATOM 1230 O ARG A 84 -7.508 3.574 3.403 1.00 0.00 O ATOM 1231 CB ARG A 84 -7.571 6.824 3.869 1.00 0.00 C ATOM 1232 CG ARG A 84 -7.310 7.440 5.245 1.00 0.00 C ATOM 1233 CD ARG A 84 -8.380 8.476 5.594 1.00 0.00 C ATOM 1234 NE ARG A 84 -7.929 9.305 6.734 1.00 0.00 N ATOM 1235 CZ ARG A 84 -7.952 8.901 8.012 1.00 0.00 C ATOM 1236 NH1 ARG A 84 -8.404 7.678 8.320 1.00 0.00 N ATOM 1237 NH2 ARG A 84 -7.524 9.721 8.981 1.00 0.00 N ATOM 0 H ARG A 84 -5.387 7.333 2.746 1.00 0.00 H new ATOM 0 HA ARG A 84 -6.083 5.398 4.466 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -7.556 7.605 3.108 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -8.566 6.379 3.849 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -7.297 6.656 6.002 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -6.326 7.910 5.256 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -8.580 9.109 4.730 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -9.315 7.975 5.845 1.00 0.00 H new ATOM 0 HE ARG A 84 -7.579 10.242 6.535 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -8.731 7.054 7.582 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -8.421 7.371 9.292 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -7.181 10.652 8.746 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -7.541 9.414 9.954 1.00 0.00 H new ATOM 1251 N GLN A 85 -7.408 4.805 1.508 1.00 0.00 N ATOM 1252 CA GLN A 85 -8.041 3.790 0.683 1.00 0.00 C ATOM 1253 C GLN A 85 -7.108 2.589 0.510 1.00 0.00 C ATOM 1254 O GLN A 85 -7.443 1.476 0.911 1.00 0.00 O ATOM 1255 CB GLN A 85 -8.453 4.365 -0.674 1.00 0.00 C ATOM 1256 CG GLN A 85 -8.798 3.248 -1.660 1.00 0.00 C ATOM 1257 CD GLN A 85 -10.195 3.450 -2.252 1.00 0.00 C ATOM 1258 OE1 GLN A 85 -11.164 2.829 -1.848 1.00 0.00 O ATOM 1259 NE2 GLN A 85 -10.243 4.352 -3.228 1.00 0.00 N ATOM 0 H GLN A 85 -7.150 5.658 1.012 1.00 0.00 H new ATOM 0 HA GLN A 85 -8.946 3.452 1.187 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -9.313 5.023 -0.548 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -7.643 4.973 -1.077 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -8.060 3.225 -2.461 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -8.750 2.284 -1.154 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -9.393 4.836 -3.517 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -11.130 4.560 -3.687 1.00 0.00 H new ATOM 1268 N ALA A 86 -5.957 2.856 -0.089 1.00 0.00 N ATOM 1269 CA ALA A 86 -4.974 1.812 -0.321 1.00 0.00 C ATOM 1270 C ALA A 86 -4.885 0.918 0.918 1.00 0.00 C ATOM 1271 O ALA A 86 -5.070 -0.294 0.828 1.00 0.00 O ATOM 1272 CB ALA A 86 -3.629 2.447 -0.680 1.00 0.00 C ATOM 0 H ALA A 86 -5.683 3.781 -0.421 1.00 0.00 H new ATOM 0 HA ALA A 86 -5.272 1.184 -1.161 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -2.892 1.663 -0.854 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -3.740 3.048 -1.583 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -3.296 3.083 0.141 1.00 0.00 H new ATOM 1278 N ARG A 87 -4.600 1.552 2.046 1.00 0.00 N ATOM 1279 CA ARG A 87 -4.484 0.829 3.301 1.00 0.00 C ATOM 1280 C ARG A 87 -5.668 -0.124 3.477 1.00 0.00 C ATOM 1281 O ARG A 87 -5.480 -1.324 3.673 1.00 0.00 O ATOM 1282 CB ARG A 87 -4.433 1.793 4.489 1.00 0.00 C ATOM 1283 CG ARG A 87 -3.324 1.400 5.467 1.00 0.00 C ATOM 1284 CD ARG A 87 -2.712 2.636 6.128 1.00 0.00 C ATOM 1285 NE ARG A 87 -2.559 2.410 7.582 1.00 0.00 N ATOM 1286 CZ ARG A 87 -3.570 2.460 8.460 1.00 0.00 C ATOM 1287 NH1 ARG A 87 -4.813 2.730 8.037 1.00 0.00 N ATOM 1288 NH2 ARG A 87 -3.339 2.241 9.762 1.00 0.00 N ATOM 0 H ARG A 87 -4.446 2.558 2.117 1.00 0.00 H new ATOM 0 HA ARG A 87 -3.556 0.258 3.270 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -4.264 2.808 4.131 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -5.394 1.792 5.004 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -3.727 0.736 6.232 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -2.549 0.844 4.939 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -1.742 2.854 5.682 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -3.347 3.504 5.952 1.00 0.00 H new ATOM 0 HE ARG A 87 -1.626 2.203 7.938 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -4.990 2.897 7.046 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -5.582 2.768 8.706 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -2.393 2.036 10.085 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -4.109 2.279 10.430 1.00 0.00 H new ATOM 1302 N ARG A 88 -6.861 0.446 3.400 1.00 0.00 N ATOM 1303 CA ARG A 88 -8.076 -0.338 3.548 1.00 0.00 C ATOM 1304 C ARG A 88 -8.071 -1.514 2.569 1.00 0.00 C ATOM 1305 O ARG A 88 -8.099 -2.671 2.984 1.00 0.00 O ATOM 1306 CB ARG A 88 -9.318 0.519 3.299 1.00 0.00 C ATOM 1307 CG ARG A 88 -10.533 -0.355 2.981 1.00 0.00 C ATOM 1308 CD ARG A 88 -11.832 0.441 3.115 1.00 0.00 C ATOM 1309 NE ARG A 88 -12.891 -0.412 3.701 1.00 0.00 N ATOM 1310 CZ ARG A 88 -13.526 -1.385 3.033 1.00 0.00 C ATOM 1311 NH1 ARG A 88 -13.214 -1.634 1.754 1.00 0.00 N ATOM 1312 NH2 ARG A 88 -14.473 -2.109 3.645 1.00 0.00 N ATOM 0 H ARG A 88 -7.013 1.441 3.237 1.00 0.00 H new ATOM 0 HA ARG A 88 -8.107 -0.713 4.571 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -9.525 1.130 4.178 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -9.132 1.204 2.472 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -10.447 -0.749 1.968 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -10.556 -1.211 3.655 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -11.669 1.316 3.744 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -12.147 0.806 2.137 1.00 0.00 H new ATOM 0 HE ARG A 88 -13.153 -0.249 4.673 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -12.493 -1.083 1.288 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -13.698 -2.375 1.246 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -14.710 -1.919 4.619 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -14.957 -2.850 3.137 1.00 0.00 H new ATOM 1326 N ASP A 89 -8.036 -1.176 1.288 1.00 0.00 N ATOM 1327 CA ASP A 89 -8.027 -2.190 0.247 1.00 0.00 C ATOM 1328 C ASP A 89 -6.962 -3.239 0.572 1.00 0.00 C ATOM 1329 O ASP A 89 -7.261 -4.430 0.648 1.00 0.00 O ATOM 1330 CB ASP A 89 -7.689 -1.578 -1.114 1.00 0.00 C ATOM 1331 CG ASP A 89 -8.723 -1.834 -2.212 1.00 0.00 C ATOM 1332 OD1 ASP A 89 -9.925 -1.853 -1.868 1.00 0.00 O ATOM 1333 OD2 ASP A 89 -8.289 -2.005 -3.372 1.00 0.00 O ATOM 0 H ASP A 89 -8.014 -0.215 0.948 1.00 0.00 H new ATOM 0 HA ASP A 89 -9.019 -2.639 0.204 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -7.570 -0.501 -0.992 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -6.727 -1.970 -1.443 1.00 0.00 H new ATOM 1338 N GLY A 90 -5.741 -2.759 0.754 1.00 0.00 N ATOM 1339 CA GLY A 90 -4.629 -3.641 1.068 1.00 0.00 C ATOM 1340 C GLY A 90 -5.009 -4.629 2.173 1.00 0.00 C ATOM 1341 O GLY A 90 -4.624 -5.796 2.127 1.00 0.00 O ATOM 0 H GLY A 90 -5.497 -1.771 0.690 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -4.330 -4.187 0.174 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -3.769 -3.050 1.383 1.00 0.00 H new ATOM 1345 N VAL A 91 -5.760 -4.125 3.141 1.00 0.00 N ATOM 1346 CA VAL A 91 -6.196 -4.948 4.256 1.00 0.00 C ATOM 1347 C VAL A 91 -7.427 -5.755 3.838 1.00 0.00 C ATOM 1348 O VAL A 91 -7.617 -6.883 4.289 1.00 0.00 O ATOM 1349 CB VAL A 91 -6.444 -4.074 5.487 1.00 0.00 C ATOM 1350 CG1 VAL A 91 -7.216 -4.844 6.560 1.00 0.00 C ATOM 1351 CG2 VAL A 91 -5.129 -3.526 6.045 1.00 0.00 C ATOM 0 H VAL A 91 -6.078 -3.156 3.176 1.00 0.00 H new ATOM 0 HA VAL A 91 -5.418 -5.660 4.531 1.00 0.00 H new ATOM 0 HB VAL A 91 -7.056 -3.226 5.178 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -7.379 -4.200 7.424 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -8.178 -5.162 6.158 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -6.642 -5.720 6.863 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -5.334 -2.908 6.919 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -4.481 -4.355 6.330 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -4.633 -2.924 5.283 1.00 0.00 H new ATOM 1361 N ARG A 92 -8.232 -5.144 2.981 1.00 0.00 N ATOM 1362 CA ARG A 92 -9.440 -5.791 2.497 1.00 0.00 C ATOM 1363 C ARG A 92 -9.083 -7.012 1.647 1.00 0.00 C ATOM 1364 O ARG A 92 -9.812 -8.003 1.640 1.00 0.00 O ATOM 1365 CB ARG A 92 -10.285 -4.827 1.662 1.00 0.00 C ATOM 1366 CG ARG A 92 -11.496 -5.540 1.059 1.00 0.00 C ATOM 1367 CD ARG A 92 -12.737 -5.348 1.933 1.00 0.00 C ATOM 1368 NE ARG A 92 -13.936 -5.854 1.228 1.00 0.00 N ATOM 1369 CZ ARG A 92 -14.473 -5.272 0.147 1.00 0.00 C ATOM 1370 NH1 ARG A 92 -13.921 -4.162 -0.360 1.00 0.00 N ATOM 1371 NH2 ARG A 92 -15.562 -5.801 -0.428 1.00 0.00 N ATOM 0 H ARG A 92 -8.071 -4.208 2.609 1.00 0.00 H new ATOM 0 HA ARG A 92 -10.019 -6.104 3.366 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -10.620 -3.998 2.285 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -9.676 -4.401 0.865 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -11.689 -5.154 0.058 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -11.281 -6.604 0.955 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -12.611 -5.876 2.878 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -12.864 -4.292 2.172 1.00 0.00 H new ATOM 0 HE ARG A 92 -14.381 -6.698 1.587 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -13.092 -3.760 0.077 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -14.330 -3.719 -1.183 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -15.982 -6.647 -0.043 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -15.971 -5.358 -1.251 1.00 0.00 H new ATOM 1385 N LYS A 93 -7.962 -6.901 0.950 1.00 0.00 N ATOM 1386 CA LYS A 93 -7.500 -7.984 0.098 1.00 0.00 C ATOM 1387 C LYS A 93 -7.113 -9.182 0.968 1.00 0.00 C ATOM 1388 O LYS A 93 -7.577 -10.297 0.737 1.00 0.00 O ATOM 1389 CB LYS A 93 -6.375 -7.501 -0.820 1.00 0.00 C ATOM 1390 CG LYS A 93 -5.602 -8.684 -1.409 1.00 0.00 C ATOM 1391 CD LYS A 93 -6.426 -9.395 -2.485 1.00 0.00 C ATOM 1392 CE LYS A 93 -5.522 -10.188 -3.431 1.00 0.00 C ATOM 1393 NZ LYS A 93 -6.325 -10.832 -4.495 1.00 0.00 N ATOM 0 H LYS A 93 -7.360 -6.078 0.958 1.00 0.00 H new ATOM 0 HA LYS A 93 -8.300 -8.316 -0.564 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -6.792 -6.897 -1.626 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -5.694 -6.859 -0.260 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -4.663 -8.333 -1.837 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -5.347 -9.388 -0.616 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -7.144 -10.066 -2.014 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -6.999 -8.662 -3.053 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -4.781 -9.525 -3.877 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -4.975 -10.946 -2.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -5.697 -11.366 -5.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -7.015 -11.480 -4.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -6.828 -10.103 -5.040 1.00 0.00 H new ATOM 1407 N VAL A 94 -6.267 -8.910 1.950 1.00 0.00 N ATOM 1408 CA VAL A 94 -5.812 -9.951 2.856 1.00 0.00 C ATOM 1409 C VAL A 94 -7.020 -10.573 3.559 1.00 0.00 C ATOM 1410 O VAL A 94 -7.227 -11.784 3.491 1.00 0.00 O ATOM 1411 CB VAL A 94 -4.780 -9.383 3.832 1.00 0.00 C ATOM 1412 CG1 VAL A 94 -4.080 -10.503 4.604 1.00 0.00 C ATOM 1413 CG2 VAL A 94 -3.764 -8.501 3.103 1.00 0.00 C ATOM 0 H VAL A 94 -5.884 -7.983 2.138 1.00 0.00 H new ATOM 0 HA VAL A 94 -5.312 -10.746 2.303 1.00 0.00 H new ATOM 0 HB VAL A 94 -5.309 -8.760 4.553 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -3.352 -10.072 5.291 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -4.818 -11.072 5.169 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -3.571 -11.165 3.903 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -3.042 -8.110 3.819 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -3.244 -9.092 2.349 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -4.282 -7.672 2.620 1.00 0.00 H new ATOM 1423 N GLN A 95 -7.786 -9.717 4.218 1.00 0.00 N ATOM 1424 CA GLN A 95 -8.969 -10.167 4.933 1.00 0.00 C ATOM 1425 C GLN A 95 -9.685 -11.260 4.138 1.00 0.00 C ATOM 1426 O GLN A 95 -9.895 -12.363 4.642 1.00 0.00 O ATOM 1427 CB GLN A 95 -9.910 -8.997 5.227 1.00 0.00 C ATOM 1428 CG GLN A 95 -9.331 -8.088 6.314 1.00 0.00 C ATOM 1429 CD GLN A 95 -10.316 -7.923 7.473 1.00 0.00 C ATOM 1430 OE1 GLN A 95 -11.520 -8.054 7.322 1.00 0.00 O ATOM 1431 NE2 GLN A 95 -9.740 -7.628 8.634 1.00 0.00 N ATOM 0 H GLN A 95 -7.611 -8.714 4.272 1.00 0.00 H new ATOM 0 HA GLN A 95 -8.655 -10.586 5.889 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -10.076 -8.421 4.316 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -10.881 -9.377 5.545 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -8.396 -8.508 6.684 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -9.096 -7.112 5.890 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -8.726 -7.533 8.691 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -10.312 -7.497 9.468 1.00 0.00 H new ATOM 1440 N THR A 96 -10.042 -10.917 2.909 1.00 0.00 N ATOM 1441 CA THR A 96 -10.730 -11.855 2.039 1.00 0.00 C ATOM 1442 C THR A 96 -9.963 -13.177 1.968 1.00 0.00 C ATOM 1443 O THR A 96 -10.545 -14.247 2.143 1.00 0.00 O ATOM 1444 CB THR A 96 -10.918 -11.187 0.676 1.00 0.00 C ATOM 1445 OG1 THR A 96 -11.971 -10.251 0.890 1.00 0.00 O ATOM 1446 CG2 THR A 96 -11.481 -12.147 -0.374 1.00 0.00 C ATOM 0 H THR A 96 -9.867 -10.001 2.495 1.00 0.00 H new ATOM 0 HA THR A 96 -11.715 -12.108 2.431 1.00 0.00 H new ATOM 0 HB THR A 96 -9.963 -10.791 0.331 1.00 0.00 H new ATOM 0 HG1 THR A 96 -11.593 -9.392 1.173 1.00 0.00 H new ATOM 0 HG21 THR A 96 -11.595 -11.622 -1.323 1.00 0.00 H new ATOM 0 HG22 THR A 96 -10.798 -12.986 -0.503 1.00 0.00 H new ATOM 0 HG23 THR A 96 -12.452 -12.517 -0.045 1.00 0.00 H new ATOM 1454 N ILE A 97 -8.669 -13.060 1.710 1.00 0.00 N ATOM 1455 CA ILE A 97 -7.816 -14.233 1.612 1.00 0.00 C ATOM 1456 C ILE A 97 -7.902 -15.030 2.916 1.00 0.00 C ATOM 1457 O ILE A 97 -8.006 -16.255 2.892 1.00 0.00 O ATOM 1458 CB ILE A 97 -6.391 -13.828 1.232 1.00 0.00 C ATOM 1459 CG1 ILE A 97 -6.380 -13.007 -0.060 1.00 0.00 C ATOM 1460 CG2 ILE A 97 -5.479 -15.053 1.139 1.00 0.00 C ATOM 1461 CD1 ILE A 97 -5.132 -12.126 -0.139 1.00 0.00 C ATOM 0 H ILE A 97 -8.190 -12.171 1.566 1.00 0.00 H new ATOM 0 HA ILE A 97 -8.160 -14.890 0.813 1.00 0.00 H new ATOM 0 HB ILE A 97 -5.995 -13.191 2.023 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -6.413 -13.676 -0.920 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -7.273 -12.384 -0.107 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -4.472 -14.737 0.867 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -5.452 -15.561 2.103 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -5.862 -15.735 0.380 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -5.149 -11.553 -1.066 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -5.115 -11.442 0.710 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -4.241 -12.754 -0.117 1.00 0.00 H new ATOM 1473 N LEU A 98 -7.854 -14.301 4.022 1.00 0.00 N ATOM 1474 CA LEU A 98 -7.925 -14.925 5.332 1.00 0.00 C ATOM 1475 C LEU A 98 -9.198 -15.769 5.422 1.00 0.00 C ATOM 1476 O LEU A 98 -9.227 -16.783 6.118 1.00 0.00 O ATOM 1477 CB LEU A 98 -7.807 -13.871 6.434 1.00 0.00 C ATOM 1478 CG LEU A 98 -6.405 -13.655 7.008 1.00 0.00 C ATOM 1479 CD1 LEU A 98 -5.796 -14.977 7.479 1.00 0.00 C ATOM 1480 CD2 LEU A 98 -5.505 -12.935 6.002 1.00 0.00 C ATOM 0 H LEU A 98 -7.767 -13.285 4.037 1.00 0.00 H new ATOM 0 HA LEU A 98 -7.083 -15.601 5.478 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -8.167 -12.921 6.040 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -8.473 -14.151 7.250 1.00 0.00 H new ATOM 0 HG LEU A 98 -6.490 -13.010 7.883 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -4.800 -14.795 7.882 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -6.427 -15.413 8.253 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -5.726 -15.666 6.637 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -4.515 -12.794 6.435 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -5.422 -13.533 5.095 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -5.936 -11.964 5.758 1.00 0.00 H new ATOM 1492 N GLU A 99 -10.220 -15.319 4.708 1.00 0.00 N ATOM 1493 CA GLU A 99 -11.493 -16.020 4.699 1.00 0.00 C ATOM 1494 C GLU A 99 -11.463 -17.162 3.681 1.00 0.00 C ATOM 1495 O GLU A 99 -12.169 -18.156 3.837 1.00 0.00 O ATOM 1496 CB GLU A 99 -12.647 -15.058 4.410 1.00 0.00 C ATOM 1497 CG GLU A 99 -13.653 -15.046 5.563 1.00 0.00 C ATOM 1498 CD GLU A 99 -14.839 -14.134 5.246 1.00 0.00 C ATOM 1499 OE1 GLU A 99 -14.576 -12.990 4.814 1.00 0.00 O ATOM 1500 OE2 GLU A 99 -15.982 -14.600 5.442 1.00 0.00 O ATOM 0 H GLU A 99 -10.192 -14.478 4.132 1.00 0.00 H new ATOM 0 HA GLU A 99 -11.658 -16.446 5.689 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -12.256 -14.053 4.253 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -13.149 -15.353 3.488 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -14.009 -16.059 5.751 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -13.162 -14.706 6.475 1.00 0.00 H new ATOM 1507 N LYS A 100 -10.637 -16.980 2.661 1.00 0.00 N ATOM 1508 CA LYS A 100 -10.506 -17.983 1.617 1.00 0.00 C ATOM 1509 C LYS A 100 -9.716 -19.176 2.159 1.00 0.00 C ATOM 1510 O LYS A 100 -10.096 -20.326 1.942 1.00 0.00 O ATOM 1511 CB LYS A 100 -9.899 -17.366 0.355 1.00 0.00 C ATOM 1512 CG LYS A 100 -8.428 -17.761 0.205 1.00 0.00 C ATOM 1513 CD LYS A 100 -7.769 -16.994 -0.944 1.00 0.00 C ATOM 1514 CE LYS A 100 -8.341 -17.431 -2.294 1.00 0.00 C ATOM 1515 NZ LYS A 100 -7.769 -16.616 -3.388 1.00 0.00 N ATOM 0 H LYS A 100 -10.052 -16.154 2.535 1.00 0.00 H new ATOM 0 HA LYS A 100 -11.487 -18.357 1.322 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -10.459 -17.695 -0.520 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -9.985 -16.280 0.399 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -7.897 -17.558 1.135 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -8.352 -18.833 0.022 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -7.925 -15.924 -0.808 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -6.692 -17.164 -0.929 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -8.121 -18.485 -2.465 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -9.426 -17.329 -2.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -8.287 -16.806 -4.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -7.851 -15.607 -3.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -6.766 -16.861 -3.516 1.00 0.00 H new ATOM 1529 N LEU A 101 -8.633 -18.862 2.853 1.00 0.00 N ATOM 1530 CA LEU A 101 -7.787 -19.894 3.428 1.00 0.00 C ATOM 1531 C LEU A 101 -8.658 -20.902 4.180 1.00 0.00 C ATOM 1532 O LEU A 101 -8.645 -22.093 3.870 1.00 0.00 O ATOM 1533 CB LEU A 101 -6.688 -19.269 4.289 1.00 0.00 C ATOM 1534 CG LEU A 101 -5.666 -20.241 4.883 1.00 0.00 C ATOM 1535 CD1 LEU A 101 -4.951 -21.025 3.781 1.00 0.00 C ATOM 1536 CD2 LEU A 101 -4.682 -19.510 5.798 1.00 0.00 C ATOM 0 H LEU A 101 -8.321 -17.907 3.031 1.00 0.00 H new ATOM 0 HA LEU A 101 -7.270 -20.443 2.641 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -6.154 -18.536 3.685 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -7.160 -18.725 5.107 1.00 0.00 H new ATOM 0 HG LEU A 101 -6.200 -20.965 5.498 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -4.230 -21.708 4.230 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -5.682 -21.594 3.207 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -4.431 -20.332 3.120 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -3.967 -20.224 6.207 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -4.150 -18.750 5.226 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -5.227 -19.035 6.614 1.00 0.00 H new ATOM 1548 N GLU A 102 -9.396 -20.388 5.153 1.00 0.00 N ATOM 1549 CA GLU A 102 -10.272 -21.228 5.951 1.00 0.00 C ATOM 1550 C GLU A 102 -10.904 -22.315 5.080 1.00 0.00 C ATOM 1551 O GLU A 102 -10.624 -23.500 5.259 1.00 0.00 O ATOM 1552 CB GLU A 102 -11.346 -20.392 6.650 1.00 0.00 C ATOM 1553 CG GLU A 102 -10.724 -19.456 7.688 1.00 0.00 C ATOM 1554 CD GLU A 102 -11.613 -19.343 8.928 1.00 0.00 C ATOM 1555 OE1 GLU A 102 -12.620 -18.607 8.839 1.00 0.00 O ATOM 1556 OE2 GLU A 102 -11.266 -19.994 9.936 1.00 0.00 O ATOM 0 H GLU A 102 -9.405 -19.400 5.407 1.00 0.00 H new ATOM 0 HA GLU A 102 -9.674 -21.711 6.724 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -11.895 -19.808 5.911 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -12.066 -21.051 7.135 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -9.740 -19.827 7.974 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -10.577 -18.469 7.251 1.00 0.00 H new ATOM 1563 N GLN A 103 -11.745 -21.874 4.156 1.00 0.00 N ATOM 1564 CA GLN A 103 -12.419 -22.795 3.256 1.00 0.00 C ATOM 1565 C GLN A 103 -11.427 -23.823 2.708 1.00 0.00 C ATOM 1566 O GLN A 103 -11.726 -25.015 2.660 1.00 0.00 O ATOM 1567 CB GLN A 103 -13.112 -22.042 2.119 1.00 0.00 C ATOM 1568 CG GLN A 103 -14.402 -21.380 2.607 1.00 0.00 C ATOM 1569 CD GLN A 103 -15.626 -22.210 2.215 1.00 0.00 C ATOM 1570 OE1 GLN A 103 -15.586 -23.039 1.321 1.00 0.00 O ATOM 1571 NE2 GLN A 103 -16.714 -21.943 2.933 1.00 0.00 N ATOM 0 H GLN A 103 -11.975 -20.891 4.011 1.00 0.00 H new ATOM 0 HA GLN A 103 -13.188 -23.325 3.819 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -12.440 -21.284 1.717 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -13.338 -22.732 1.306 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -14.368 -21.264 3.690 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -14.485 -20.380 2.182 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -16.679 -21.236 3.668 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -17.583 -22.445 2.749 1.00 0.00 H new ATOM 1580 N LYS A 104 -10.266 -23.324 2.309 1.00 0.00 N ATOM 1581 CA LYS A 104 -9.229 -24.184 1.766 1.00 0.00 C ATOM 1582 C LYS A 104 -8.753 -25.150 2.853 1.00 0.00 C ATOM 1583 O LYS A 104 -8.412 -26.296 2.564 1.00 0.00 O ATOM 1584 CB LYS A 104 -8.105 -23.346 1.152 1.00 0.00 C ATOM 1585 CG LYS A 104 -8.670 -22.238 0.263 1.00 0.00 C ATOM 1586 CD LYS A 104 -8.351 -22.500 -1.210 1.00 0.00 C ATOM 1587 CE LYS A 104 -8.891 -23.861 -1.654 1.00 0.00 C ATOM 1588 NZ LYS A 104 -8.635 -24.076 -3.096 1.00 0.00 N ATOM 0 H LYS A 104 -10.021 -22.335 2.351 1.00 0.00 H new ATOM 0 HA LYS A 104 -9.624 -24.790 0.951 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -7.499 -22.907 1.945 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -7.447 -23.987 0.566 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -9.750 -22.173 0.399 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -8.252 -21.277 0.564 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -8.787 -21.713 -1.826 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -7.273 -22.465 -1.364 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -8.419 -24.653 -1.073 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -9.962 -23.916 -1.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -8.620 -25.096 -3.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -9.388 -23.624 -3.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -7.717 -23.659 -3.352 1.00 0.00 H new ATOM 1602 N ALA A 105 -8.744 -24.651 4.080 1.00 0.00 N ATOM 1603 CA ALA A 105 -8.315 -25.455 5.212 1.00 0.00 C ATOM 1604 C ALA A 105 -9.546 -25.985 5.951 1.00 0.00 C ATOM 1605 O ALA A 105 -9.501 -26.204 7.161 1.00 0.00 O ATOM 1606 CB ALA A 105 -7.406 -24.621 6.116 1.00 0.00 C ATOM 0 H ALA A 105 -9.027 -23.700 4.315 1.00 0.00 H new ATOM 0 HA ALA A 105 -7.737 -26.315 4.875 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -7.084 -25.224 6.965 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -6.533 -24.294 5.552 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -7.952 -23.749 6.477 1.00 0.00 H new ATOM 1612 N SER A 106 -10.615 -26.175 5.193 1.00 0.00 N ATOM 1613 CA SER A 106 -11.856 -26.674 5.761 1.00 0.00 C ATOM 1614 C SER A 106 -12.437 -27.771 4.866 1.00 0.00 C ATOM 1615 O SER A 106 -13.566 -28.214 5.075 1.00 0.00 O ATOM 1616 CB SER A 106 -12.872 -25.545 5.945 1.00 0.00 C ATOM 1617 OG SER A 106 -14.212 -26.029 5.953 1.00 0.00 O ATOM 0 H SER A 106 -10.648 -25.992 4.190 1.00 0.00 H new ATOM 0 HA SER A 106 -11.638 -27.093 6.744 1.00 0.00 H new ATOM 0 HB2 SER A 106 -12.669 -25.024 6.881 1.00 0.00 H new ATOM 0 HB3 SER A 106 -12.754 -24.817 5.142 1.00 0.00 H new ATOM 0 HG SER A 106 -14.207 -27.006 6.032 1.00 0.00 H new