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 53 LYS NZ :NH3+ 143:sc= 0.602 (180deg=0) USER MOD Set 1.2: A 106 SER OG : rot 106:sc= 0.639 USER MOD Set 2.1: A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 60 MET CE :methyl 168:sc= -0.41 (180deg=-0.904) USER MOD Single : A 26 HIS : no HD1:sc= -3.35! C(o=-3.4!,f=-12!) 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 40 GLN : amide:sc= -0.0182 X(o=-0.018,f=-0.021) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) 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 54 THR OG1 : rot 180:sc= -1.39 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.016 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot -33:sc= 0.436 USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 GLN : amide:sc= -0.0264 X(o=-0.026,f=-0.16) USER MOD Single : A 96 THR OG1 : rot 80:sc= 0.00322 USER MOD Single : A 100 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0381) USER MOD Single : A 103 GLN : amide:sc= -0.377 K(o=-0.38,f=-3.2!) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 307 N HIS A 26 2.749 8.483 -4.714 1.00 0.00 N ATOM 308 CA HIS A 26 2.745 8.715 -3.280 1.00 0.00 C ATOM 309 C HIS A 26 3.397 7.529 -2.566 1.00 0.00 C ATOM 310 O HIS A 26 3.134 6.376 -2.904 1.00 0.00 O ATOM 311 CB HIS A 26 1.328 9.001 -2.780 1.00 0.00 C ATOM 312 CG HIS A 26 1.274 9.592 -1.391 1.00 0.00 C ATOM 313 ND1 HIS A 26 1.644 8.884 -0.260 1.00 0.00 N ATOM 314 CD2 HIS A 26 0.892 10.829 -0.963 1.00 0.00 C ATOM 315 CE1 HIS A 26 1.486 9.670 0.795 1.00 0.00 C ATOM 316 NE2 HIS A 26 1.019 10.874 0.357 1.00 0.00 N ATOM 0 HA HIS A 26 3.335 9.602 -3.050 1.00 0.00 H new ATOM 0 HB2 HIS A 26 0.840 9.685 -3.474 1.00 0.00 H new ATOM 0 HB3 HIS A 26 0.756 8.073 -2.792 1.00 0.00 H new ATOM 0 HD2 HIS A 26 0.545 11.635 -1.592 1.00 0.00 H new ATOM 0 HE1 HIS A 26 1.691 9.404 1.821 1.00 0.00 H new ATOM 0 HE2 HIS A 26 0.803 11.677 0.947 1.00 0.00 H new ATOM 324 N PRO A 27 4.258 7.862 -1.567 1.00 0.00 N ATOM 325 CA PRO A 27 4.950 6.838 -0.803 1.00 0.00 C ATOM 326 C PRO A 27 4.003 6.162 0.191 1.00 0.00 C ATOM 327 O PRO A 27 4.071 4.950 0.393 1.00 0.00 O ATOM 328 CB PRO A 27 6.102 7.563 -0.127 1.00 0.00 C ATOM 329 CG PRO A 27 5.743 9.039 -0.162 1.00 0.00 C ATOM 330 CD PRO A 27 4.594 9.217 -1.140 1.00 0.00 C ATOM 0 HA PRO A 27 5.320 6.025 -1.428 1.00 0.00 H new ATOM 0 HB2 PRO A 27 6.233 7.217 0.898 1.00 0.00 H new ATOM 0 HB3 PRO A 27 7.041 7.377 -0.649 1.00 0.00 H new ATOM 0 HG2 PRO A 27 5.456 9.386 0.831 1.00 0.00 H new ATOM 0 HG3 PRO A 27 6.603 9.634 -0.471 1.00 0.00 H new ATOM 0 HD2 PRO A 27 3.743 9.705 -0.666 1.00 0.00 H new ATOM 0 HD3 PRO A 27 4.887 9.838 -1.987 1.00 0.00 H new ATOM 338 N GLY A 28 3.142 6.974 0.785 1.00 0.00 N ATOM 339 CA GLY A 28 2.183 6.470 1.753 1.00 0.00 C ATOM 340 C GLY A 28 1.350 5.333 1.158 1.00 0.00 C ATOM 341 O GLY A 28 0.868 4.465 1.885 1.00 0.00 O ATOM 0 H GLY A 28 3.088 7.978 0.615 1.00 0.00 H new ATOM 0 HA2 GLY A 28 2.708 6.115 2.640 1.00 0.00 H new ATOM 0 HA3 GLY A 28 1.526 7.278 2.074 1.00 0.00 H new ATOM 345 N VAL A 29 1.206 5.373 -0.158 1.00 0.00 N ATOM 346 CA VAL A 29 0.440 4.357 -0.859 1.00 0.00 C ATOM 347 C VAL A 29 1.346 3.163 -1.167 1.00 0.00 C ATOM 348 O VAL A 29 1.072 2.044 -0.736 1.00 0.00 O ATOM 349 CB VAL A 29 -0.204 4.957 -2.111 1.00 0.00 C ATOM 350 CG1 VAL A 29 -0.979 3.894 -2.891 1.00 0.00 C ATOM 351 CG2 VAL A 29 -1.105 6.139 -1.750 1.00 0.00 C ATOM 0 H VAL A 29 1.607 6.094 -0.758 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.375 3.994 -0.233 1.00 0.00 H new ATOM 0 HB VAL A 29 0.594 5.328 -2.754 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -1.427 4.346 -3.776 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -0.299 3.098 -3.195 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -1.764 3.479 -2.259 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -1.550 6.547 -2.657 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.894 5.803 -1.078 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -0.513 6.910 -1.257 1.00 0.00 H new ATOM 361 N LEU A 30 2.408 3.442 -1.909 1.00 0.00 N ATOM 362 CA LEU A 30 3.356 2.405 -2.279 1.00 0.00 C ATOM 363 C LEU A 30 3.629 1.514 -1.066 1.00 0.00 C ATOM 364 O LEU A 30 3.856 0.314 -1.212 1.00 0.00 O ATOM 365 CB LEU A 30 4.618 3.024 -2.884 1.00 0.00 C ATOM 366 CG LEU A 30 4.401 3.955 -4.080 1.00 0.00 C ATOM 367 CD1 LEU A 30 5.411 5.104 -4.069 1.00 0.00 C ATOM 368 CD2 LEU A 30 4.435 3.174 -5.395 1.00 0.00 C ATOM 0 H LEU A 30 2.633 4.372 -2.264 1.00 0.00 H new ATOM 0 HA LEU A 30 2.938 1.766 -3.057 1.00 0.00 H new ATOM 0 HB2 LEU A 30 5.135 3.582 -2.103 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.283 2.217 -3.193 1.00 0.00 H new ATOM 0 HG LEU A 30 3.409 4.398 -3.994 1.00 0.00 H new ATOM 0 HD11 LEU A 30 5.236 5.751 -4.929 1.00 0.00 H new ATOM 0 HD12 LEU A 30 5.296 5.681 -3.151 1.00 0.00 H new ATOM 0 HD13 LEU A 30 6.422 4.700 -4.119 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.278 3.858 -6.229 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.404 2.686 -5.503 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.647 2.421 -5.391 1.00 0.00 H new ATOM 380 N LYS A 31 3.599 2.135 0.104 1.00 0.00 N ATOM 381 CA LYS A 31 3.840 1.412 1.341 1.00 0.00 C ATOM 382 C LYS A 31 2.941 0.175 1.388 1.00 0.00 C ATOM 383 O LYS A 31 3.353 -0.877 1.874 1.00 0.00 O ATOM 384 CB LYS A 31 3.672 2.341 2.545 1.00 0.00 C ATOM 385 CG LYS A 31 4.918 2.319 3.433 1.00 0.00 C ATOM 386 CD LYS A 31 5.188 3.700 4.034 1.00 0.00 C ATOM 387 CE LYS A 31 6.497 3.706 4.826 1.00 0.00 C ATOM 388 NZ LYS A 31 6.869 5.089 5.200 1.00 0.00 N ATOM 0 H LYS A 31 3.411 3.131 0.221 1.00 0.00 H new ATOM 0 HA LYS A 31 4.870 1.058 1.381 1.00 0.00 H new ATOM 0 HB2 LYS A 31 3.484 3.358 2.201 1.00 0.00 H new ATOM 0 HB3 LYS A 31 2.802 2.036 3.126 1.00 0.00 H new ATOM 0 HG2 LYS A 31 4.786 1.590 4.233 1.00 0.00 H new ATOM 0 HG3 LYS A 31 5.780 1.998 2.848 1.00 0.00 H new ATOM 0 HD2 LYS A 31 5.236 4.444 3.239 1.00 0.00 H new ATOM 0 HD3 LYS A 31 4.363 3.984 4.686 1.00 0.00 H new ATOM 0 HE2 LYS A 31 6.389 3.097 5.723 1.00 0.00 H new ATOM 0 HE3 LYS A 31 7.292 3.258 4.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 7.760 5.076 5.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 6.992 5.660 4.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 6.117 5.504 5.787 1.00 0.00 H new ATOM 402 N VAL A 32 1.731 0.343 0.877 1.00 0.00 N ATOM 403 CA VAL A 32 0.770 -0.747 0.854 1.00 0.00 C ATOM 404 C VAL A 32 1.010 -1.607 -0.388 1.00 0.00 C ATOM 405 O VAL A 32 1.076 -2.832 -0.297 1.00 0.00 O ATOM 406 CB VAL A 32 -0.654 -0.192 0.931 1.00 0.00 C ATOM 407 CG1 VAL A 32 -0.697 1.093 1.761 1.00 0.00 C ATOM 408 CG2 VAL A 32 -1.228 0.040 -0.468 1.00 0.00 C ATOM 0 H VAL A 32 1.393 1.218 0.475 1.00 0.00 H new ATOM 0 HA VAL A 32 0.901 -1.390 1.725 1.00 0.00 H new ATOM 0 HB VAL A 32 -1.277 -0.935 1.430 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -1.720 1.467 1.800 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -0.348 0.885 2.772 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.054 1.844 1.303 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -2.241 0.435 -0.385 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.603 0.754 -1.004 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -1.250 -0.903 -1.013 1.00 0.00 H new ATOM 418 N GLU A 33 1.134 -0.931 -1.521 1.00 0.00 N ATOM 419 CA GLU A 33 1.365 -1.618 -2.781 1.00 0.00 C ATOM 420 C GLU A 33 2.566 -2.559 -2.660 1.00 0.00 C ATOM 421 O GLU A 33 2.598 -3.614 -3.291 1.00 0.00 O ATOM 422 CB GLU A 33 1.564 -0.619 -3.922 1.00 0.00 C ATOM 423 CG GLU A 33 0.356 0.311 -4.054 1.00 0.00 C ATOM 424 CD GLU A 33 0.417 1.107 -5.359 1.00 0.00 C ATOM 425 OE1 GLU A 33 1.378 1.894 -5.500 1.00 0.00 O ATOM 426 OE2 GLU A 33 -0.499 0.910 -6.187 1.00 0.00 O ATOM 0 H GLU A 33 1.079 0.085 -1.593 1.00 0.00 H new ATOM 0 HA GLU A 33 0.483 -2.214 -3.014 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.463 -0.030 -3.741 1.00 0.00 H new ATOM 0 HB3 GLU A 33 1.718 -1.156 -4.858 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -0.563 -0.274 -4.023 1.00 0.00 H new ATOM 0 HG3 GLU A 33 0.326 0.996 -3.207 1.00 0.00 H new ATOM 433 N ALA A 34 3.523 -2.143 -1.844 1.00 0.00 N ATOM 434 CA ALA A 34 4.722 -2.935 -1.632 1.00 0.00 C ATOM 435 C ALA A 34 4.351 -4.233 -0.913 1.00 0.00 C ATOM 436 O ALA A 34 4.897 -5.293 -1.215 1.00 0.00 O ATOM 437 CB ALA A 34 5.748 -2.110 -0.852 1.00 0.00 C ATOM 0 H ALA A 34 3.492 -1.267 -1.322 1.00 0.00 H new ATOM 0 HA ALA A 34 5.177 -3.205 -2.585 1.00 0.00 H new ATOM 0 HB1 ALA A 34 6.648 -2.704 -0.693 1.00 0.00 H new ATOM 0 HB2 ALA A 34 6.001 -1.214 -1.419 1.00 0.00 H new ATOM 0 HB3 ALA A 34 5.327 -1.823 0.112 1.00 0.00 H new ATOM 443 N ILE A 35 3.423 -4.108 0.025 1.00 0.00 N ATOM 444 CA ILE A 35 2.972 -5.259 0.789 1.00 0.00 C ATOM 445 C ILE A 35 2.031 -6.102 -0.074 1.00 0.00 C ATOM 446 O ILE A 35 2.299 -7.275 -0.327 1.00 0.00 O ATOM 447 CB ILE A 35 2.354 -4.811 2.116 1.00 0.00 C ATOM 448 CG1 ILE A 35 3.378 -4.062 2.972 1.00 0.00 C ATOM 449 CG2 ILE A 35 1.741 -5.998 2.863 1.00 0.00 C ATOM 450 CD1 ILE A 35 2.720 -2.903 3.723 1.00 0.00 C ATOM 0 H ILE A 35 2.971 -3.228 0.273 1.00 0.00 H new ATOM 0 HA ILE A 35 3.816 -5.895 1.055 1.00 0.00 H new ATOM 0 HB ILE A 35 1.545 -4.114 1.899 1.00 0.00 H new ATOM 0 HG12 ILE A 35 3.835 -4.749 3.684 1.00 0.00 H new ATOM 0 HG13 ILE A 35 4.179 -3.682 2.338 1.00 0.00 H new ATOM 0 HG21 ILE A 35 1.309 -5.653 3.802 1.00 0.00 H new ATOM 0 HG22 ILE A 35 0.962 -6.451 2.250 1.00 0.00 H new ATOM 0 HG23 ILE A 35 2.515 -6.737 3.070 1.00 0.00 H new ATOM 0 HD11 ILE A 35 3.469 -2.387 4.324 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.286 -2.205 3.007 1.00 0.00 H new ATOM 0 HD13 ILE A 35 1.936 -3.290 4.374 1.00 0.00 H new ATOM 462 N LEU A 36 0.947 -5.471 -0.501 1.00 0.00 N ATOM 463 CA LEU A 36 -0.036 -6.148 -1.330 1.00 0.00 C ATOM 464 C LEU A 36 0.686 -7.033 -2.348 1.00 0.00 C ATOM 465 O LEU A 36 0.289 -8.175 -2.575 1.00 0.00 O ATOM 466 CB LEU A 36 -0.991 -5.135 -1.964 1.00 0.00 C ATOM 467 CG LEU A 36 -2.265 -4.829 -1.174 1.00 0.00 C ATOM 468 CD1 LEU A 36 -3.153 -3.838 -1.928 1.00 0.00 C ATOM 469 CD2 LEU A 36 -3.014 -6.116 -0.820 1.00 0.00 C ATOM 0 H LEU A 36 0.728 -4.498 -0.288 1.00 0.00 H new ATOM 0 HA LEU A 36 -0.661 -6.803 -0.723 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -0.449 -4.202 -2.117 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.278 -5.503 -2.949 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.979 -4.355 -0.235 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -4.052 -3.638 -1.345 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -2.608 -2.907 -2.085 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -3.433 -4.262 -2.892 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -3.915 -5.870 -0.259 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.288 -6.641 -1.735 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -2.372 -6.755 -0.214 1.00 0.00 H new ATOM 481 N GLU A 37 1.734 -6.473 -2.934 1.00 0.00 N ATOM 482 CA GLU A 37 2.515 -7.198 -3.922 1.00 0.00 C ATOM 483 C GLU A 37 2.892 -8.582 -3.390 1.00 0.00 C ATOM 484 O GLU A 37 2.744 -9.581 -4.091 1.00 0.00 O ATOM 485 CB GLU A 37 3.761 -6.406 -4.324 1.00 0.00 C ATOM 486 CG GLU A 37 3.720 -6.033 -5.807 1.00 0.00 C ATOM 487 CD GLU A 37 5.070 -5.484 -6.272 1.00 0.00 C ATOM 488 OE1 GLU A 37 5.396 -4.352 -5.854 1.00 0.00 O ATOM 489 OE2 GLU A 37 5.745 -6.208 -7.035 1.00 0.00 O ATOM 0 H GLU A 37 2.061 -5.526 -2.744 1.00 0.00 H new ATOM 0 HA GLU A 37 1.904 -7.329 -4.815 1.00 0.00 H new ATOM 0 HB2 GLU A 37 3.832 -5.501 -3.720 1.00 0.00 H new ATOM 0 HB3 GLU A 37 4.654 -6.997 -4.119 1.00 0.00 H new ATOM 0 HG2 GLU A 37 3.457 -6.910 -6.399 1.00 0.00 H new ATOM 0 HG3 GLU A 37 2.943 -5.288 -5.977 1.00 0.00 H new ATOM 496 N LYS A 38 3.371 -8.595 -2.155 1.00 0.00 N ATOM 497 CA LYS A 38 3.770 -9.840 -1.521 1.00 0.00 C ATOM 498 C LYS A 38 2.525 -10.677 -1.221 1.00 0.00 C ATOM 499 O LYS A 38 2.494 -11.874 -1.503 1.00 0.00 O ATOM 500 CB LYS A 38 4.634 -9.562 -0.290 1.00 0.00 C ATOM 501 CG LYS A 38 5.919 -8.825 -0.677 1.00 0.00 C ATOM 502 CD LYS A 38 6.897 -8.774 0.499 1.00 0.00 C ATOM 503 CE LYS A 38 7.949 -9.879 0.386 1.00 0.00 C ATOM 504 NZ LYS A 38 9.065 -9.630 1.325 1.00 0.00 N ATOM 0 H LYS A 38 3.492 -7.764 -1.577 1.00 0.00 H new ATOM 0 HA LYS A 38 4.395 -10.427 -2.195 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.070 -8.965 0.427 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.884 -10.501 0.203 1.00 0.00 H new ATOM 0 HG2 LYS A 38 6.389 -9.326 -1.524 1.00 0.00 H new ATOM 0 HG3 LYS A 38 5.679 -7.812 -0.999 1.00 0.00 H new ATOM 0 HD2 LYS A 38 7.388 -7.801 0.526 1.00 0.00 H new ATOM 0 HD3 LYS A 38 6.351 -8.882 1.436 1.00 0.00 H new ATOM 0 HE2 LYS A 38 7.494 -10.846 0.601 1.00 0.00 H new ATOM 0 HE3 LYS A 38 8.328 -9.925 -0.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 9.770 -10.389 1.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 9.509 -8.717 1.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 8.701 -9.609 2.299 1.00 0.00 H new ATOM 518 N VAL A 39 1.528 -10.014 -0.654 1.00 0.00 N ATOM 519 CA VAL A 39 0.283 -10.682 -0.313 1.00 0.00 C ATOM 520 C VAL A 39 -0.099 -11.645 -1.440 1.00 0.00 C ATOM 521 O VAL A 39 -0.304 -12.834 -1.202 1.00 0.00 O ATOM 522 CB VAL A 39 -0.803 -9.646 -0.018 1.00 0.00 C ATOM 523 CG1 VAL A 39 -2.180 -10.307 0.078 1.00 0.00 C ATOM 524 CG2 VAL A 39 -0.481 -8.862 1.255 1.00 0.00 C ATOM 0 H VAL A 39 1.557 -9.021 -0.422 1.00 0.00 H new ATOM 0 HA VAL A 39 0.403 -11.274 0.594 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.828 -8.940 -0.849 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -2.934 -9.548 0.288 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -2.414 -10.799 -0.866 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -2.174 -11.045 0.880 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -1.269 -8.132 1.442 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -0.415 -9.549 2.099 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.471 -8.345 1.133 1.00 0.00 H new ATOM 534 N GLN A 40 -0.183 -11.094 -2.642 1.00 0.00 N ATOM 535 CA GLN A 40 -0.537 -11.889 -3.806 1.00 0.00 C ATOM 536 C GLN A 40 0.125 -13.266 -3.729 1.00 0.00 C ATOM 537 O GLN A 40 -0.531 -14.287 -3.930 1.00 0.00 O ATOM 538 CB GLN A 40 -0.155 -11.168 -5.099 1.00 0.00 C ATOM 539 CG GLN A 40 -1.095 -9.991 -5.369 1.00 0.00 C ATOM 540 CD GLN A 40 -1.917 -10.225 -6.638 1.00 0.00 C ATOM 541 OE1 GLN A 40 -2.578 -11.237 -6.802 1.00 0.00 O ATOM 542 NE2 GLN A 40 -1.840 -9.235 -7.523 1.00 0.00 N ATOM 0 H GLN A 40 -0.012 -10.107 -2.835 1.00 0.00 H new ATOM 0 HA GLN A 40 -1.618 -12.027 -3.812 1.00 0.00 H new ATOM 0 HB2 GLN A 40 0.872 -10.809 -5.030 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -0.193 -11.867 -5.934 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -1.763 -9.852 -4.519 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -0.515 -9.074 -5.471 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -1.268 -8.415 -7.322 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -2.353 -9.296 -8.402 1.00 0.00 H new ATOM 551 N GLY A 41 1.418 -13.250 -3.439 1.00 0.00 N ATOM 552 CA GLY A 41 2.177 -14.485 -3.334 1.00 0.00 C ATOM 553 C GLY A 41 1.582 -15.405 -2.266 1.00 0.00 C ATOM 554 O GLY A 41 1.403 -16.599 -2.500 1.00 0.00 O ATOM 0 H GLY A 41 1.959 -12.401 -3.273 1.00 0.00 H new ATOM 0 HA2 GLY A 41 2.182 -14.996 -4.297 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.214 -14.259 -3.087 1.00 0.00 H new ATOM 558 N LEU A 42 1.292 -14.814 -1.116 1.00 0.00 N ATOM 559 CA LEU A 42 0.721 -15.565 -0.012 1.00 0.00 C ATOM 560 C LEU A 42 -0.672 -16.062 -0.404 1.00 0.00 C ATOM 561 O LEU A 42 -1.157 -17.054 0.138 1.00 0.00 O ATOM 562 CB LEU A 42 0.736 -14.729 1.270 1.00 0.00 C ATOM 563 CG LEU A 42 2.094 -14.156 1.681 1.00 0.00 C ATOM 564 CD1 LEU A 42 1.924 -12.881 2.508 1.00 0.00 C ATOM 565 CD2 LEU A 42 2.933 -15.206 2.412 1.00 0.00 C ATOM 0 H LEU A 42 1.442 -13.823 -0.925 1.00 0.00 H new ATOM 0 HA LEU A 42 1.326 -16.446 0.201 1.00 0.00 H new ATOM 0 HB2 LEU A 42 0.036 -13.902 1.149 1.00 0.00 H new ATOM 0 HB3 LEU A 42 0.362 -15.346 2.087 1.00 0.00 H new ATOM 0 HG LEU A 42 2.637 -13.882 0.776 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.904 -12.495 2.787 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.394 -12.133 1.919 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.353 -13.105 3.409 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.893 -14.773 2.693 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.406 -15.533 3.308 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.098 -16.061 1.756 1.00 0.00 H new ATOM 577 N GLU A 43 -1.276 -15.351 -1.345 1.00 0.00 N ATOM 578 CA GLU A 43 -2.603 -15.707 -1.817 1.00 0.00 C ATOM 579 C GLU A 43 -2.544 -16.989 -2.650 1.00 0.00 C ATOM 580 O GLU A 43 -3.271 -17.943 -2.381 1.00 0.00 O ATOM 581 CB GLU A 43 -3.227 -14.562 -2.616 1.00 0.00 C ATOM 582 CG GLU A 43 -4.752 -14.572 -2.490 1.00 0.00 C ATOM 583 CD GLU A 43 -5.383 -15.489 -3.540 1.00 0.00 C ATOM 584 OE1 GLU A 43 -5.109 -15.254 -4.737 1.00 0.00 O ATOM 585 OE2 GLU A 43 -6.125 -16.404 -3.123 1.00 0.00 O ATOM 0 H GLU A 43 -0.870 -14.530 -1.793 1.00 0.00 H new ATOM 0 HA GLU A 43 -3.238 -15.889 -0.950 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -2.835 -13.609 -2.259 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -2.945 -14.650 -3.665 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -5.036 -14.906 -1.492 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -5.137 -13.559 -2.608 1.00 0.00 H new ATOM 592 N GLN A 44 -1.670 -16.970 -3.646 1.00 0.00 N ATOM 593 CA GLN A 44 -1.505 -18.118 -4.520 1.00 0.00 C ATOM 594 C GLN A 44 -1.484 -19.410 -3.701 1.00 0.00 C ATOM 595 O GLN A 44 -2.082 -20.410 -4.095 1.00 0.00 O ATOM 596 CB GLN A 44 -0.239 -17.985 -5.368 1.00 0.00 C ATOM 597 CG GLN A 44 -0.529 -17.244 -6.674 1.00 0.00 C ATOM 598 CD GLN A 44 -0.914 -18.222 -7.786 1.00 0.00 C ATOM 599 OE1 GLN A 44 -2.072 -18.377 -8.138 1.00 0.00 O ATOM 600 NE2 GLN A 44 0.118 -18.870 -8.319 1.00 0.00 N ATOM 0 H GLN A 44 -1.068 -16.176 -3.867 1.00 0.00 H new ATOM 0 HA GLN A 44 -2.355 -18.156 -5.201 1.00 0.00 H new ATOM 0 HB2 GLN A 44 0.526 -17.450 -4.805 1.00 0.00 H new ATOM 0 HB3 GLN A 44 0.161 -18.975 -5.588 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -1.336 -16.528 -6.519 1.00 0.00 H new ATOM 0 HG3 GLN A 44 0.349 -16.673 -6.975 1.00 0.00 H new ATOM 0 HE21 GLN A 44 1.063 -18.693 -7.978 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -0.035 -19.544 -9.069 1.00 0.00 H new ATOM 609 N ALA A 45 -0.788 -19.348 -2.575 1.00 0.00 N ATOM 610 CA ALA A 45 -0.680 -20.500 -1.697 1.00 0.00 C ATOM 611 C ALA A 45 -2.076 -20.901 -1.215 1.00 0.00 C ATOM 612 O ALA A 45 -2.400 -22.086 -1.158 1.00 0.00 O ATOM 613 CB ALA A 45 0.264 -20.173 -0.538 1.00 0.00 C ATOM 0 H ALA A 45 -0.293 -18.517 -2.251 1.00 0.00 H new ATOM 0 HA ALA A 45 -0.258 -21.351 -2.232 1.00 0.00 H new ATOM 0 HB1 ALA A 45 0.345 -21.038 0.121 1.00 0.00 H new ATOM 0 HB2 ALA A 45 1.249 -19.923 -0.931 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -0.129 -19.325 0.023 1.00 0.00 H new ATOM 619 N VAL A 46 -2.865 -19.891 -0.881 1.00 0.00 N ATOM 620 CA VAL A 46 -4.219 -20.123 -0.407 1.00 0.00 C ATOM 621 C VAL A 46 -5.060 -20.708 -1.543 1.00 0.00 C ATOM 622 O VAL A 46 -5.724 -21.729 -1.367 1.00 0.00 O ATOM 623 CB VAL A 46 -4.803 -18.829 0.164 1.00 0.00 C ATOM 624 CG1 VAL A 46 -6.326 -18.919 0.279 1.00 0.00 C ATOM 625 CG2 VAL A 46 -4.169 -18.490 1.515 1.00 0.00 C ATOM 0 H VAL A 46 -2.593 -18.909 -0.929 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.219 -20.850 0.405 1.00 0.00 H new ATOM 0 HB VAL A 46 -4.567 -18.021 -0.528 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -6.716 -17.987 0.687 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -6.756 -19.091 -0.708 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -6.593 -19.744 0.940 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -4.602 -17.566 1.898 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -4.359 -19.300 2.220 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -3.094 -18.363 1.391 1.00 0.00 H new ATOM 635 N ASP A 47 -5.004 -20.037 -2.684 1.00 0.00 N ATOM 636 CA ASP A 47 -5.752 -20.478 -3.849 1.00 0.00 C ATOM 637 C ASP A 47 -5.283 -21.878 -4.251 1.00 0.00 C ATOM 638 O ASP A 47 -5.952 -22.562 -5.024 1.00 0.00 O ATOM 639 CB ASP A 47 -5.521 -19.543 -5.038 1.00 0.00 C ATOM 640 CG ASP A 47 -6.679 -19.468 -6.036 1.00 0.00 C ATOM 641 OD1 ASP A 47 -7.796 -19.862 -5.639 1.00 0.00 O ATOM 642 OD2 ASP A 47 -6.419 -19.018 -7.173 1.00 0.00 O ATOM 0 H ASP A 47 -4.452 -19.191 -2.827 1.00 0.00 H new ATOM 0 HA ASP A 47 -6.811 -20.478 -3.590 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -5.322 -18.540 -4.659 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -4.625 -19.867 -5.567 1.00 0.00 H new ATOM 647 N SER A 48 -4.137 -22.262 -3.708 1.00 0.00 N ATOM 648 CA SER A 48 -3.572 -23.568 -4.000 1.00 0.00 C ATOM 649 C SER A 48 -3.120 -24.245 -2.704 1.00 0.00 C ATOM 650 O SER A 48 -2.047 -24.843 -2.654 1.00 0.00 O ATOM 651 CB SER A 48 -2.399 -23.455 -4.976 1.00 0.00 C ATOM 652 OG SER A 48 -2.498 -24.396 -6.042 1.00 0.00 O ATOM 0 H SER A 48 -3.585 -21.692 -3.068 1.00 0.00 H new ATOM 0 HA SER A 48 -4.344 -24.177 -4.470 1.00 0.00 H new ATOM 0 HB2 SER A 48 -2.364 -22.446 -5.386 1.00 0.00 H new ATOM 0 HB3 SER A 48 -1.464 -23.613 -4.439 1.00 0.00 H new ATOM 0 HG SER A 48 -1.732 -24.290 -6.644 1.00 0.00 H new ATOM 658 N PHE A 49 -3.962 -24.127 -1.688 1.00 0.00 N ATOM 659 CA PHE A 49 -3.663 -24.720 -0.396 1.00 0.00 C ATOM 660 C PHE A 49 -4.468 -26.003 -0.182 1.00 0.00 C ATOM 661 O PHE A 49 -5.411 -26.280 -0.922 1.00 0.00 O ATOM 662 CB PHE A 49 -4.064 -23.697 0.669 1.00 0.00 C ATOM 663 CG PHE A 49 -4.168 -24.277 2.081 1.00 0.00 C ATOM 664 CD1 PHE A 49 -5.255 -25.012 2.437 1.00 0.00 C ATOM 665 CD2 PHE A 49 -3.172 -24.057 2.981 1.00 0.00 C ATOM 666 CE1 PHE A 49 -5.351 -25.550 3.747 1.00 0.00 C ATOM 667 CE2 PHE A 49 -3.268 -24.595 4.292 1.00 0.00 C ATOM 668 CZ PHE A 49 -4.355 -25.330 4.647 1.00 0.00 C ATOM 0 H PHE A 49 -4.851 -23.629 -1.733 1.00 0.00 H new ATOM 0 HA PHE A 49 -2.604 -24.973 -0.339 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -3.335 -22.887 0.673 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -5.024 -23.260 0.395 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -6.046 -25.187 1.723 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -2.308 -23.473 2.699 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -6.215 -26.134 4.029 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -2.477 -24.420 5.007 1.00 0.00 H new ATOM 0 HZ PHE A 49 -4.428 -25.739 5.644 1.00 0.00 H new ATOM 678 N GLU A 50 -4.066 -26.753 0.834 1.00 0.00 N ATOM 679 CA GLU A 50 -4.738 -28.001 1.155 1.00 0.00 C ATOM 680 C GLU A 50 -4.329 -28.481 2.549 1.00 0.00 C ATOM 681 O GLU A 50 -3.141 -28.581 2.851 1.00 0.00 O ATOM 682 CB GLU A 50 -4.444 -29.069 0.099 1.00 0.00 C ATOM 683 CG GLU A 50 -2.989 -29.534 0.180 1.00 0.00 C ATOM 684 CD GLU A 50 -2.415 -29.786 -1.216 1.00 0.00 C ATOM 685 OE1 GLU A 50 -2.268 -28.790 -1.957 1.00 0.00 O ATOM 686 OE2 GLU A 50 -2.137 -30.968 -1.510 1.00 0.00 O ATOM 0 H GLU A 50 -3.283 -26.520 1.446 1.00 0.00 H new ATOM 0 HA GLU A 50 -5.813 -27.823 1.155 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -5.110 -29.920 0.242 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.647 -28.669 -0.894 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -2.391 -28.781 0.692 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -2.928 -30.447 0.772 1.00 0.00 H new ATOM 693 N GLY A 51 -5.337 -28.765 3.361 1.00 0.00 N ATOM 694 CA GLY A 51 -5.097 -29.232 4.716 1.00 0.00 C ATOM 695 C GLY A 51 -6.264 -28.867 5.636 1.00 0.00 C ATOM 696 O GLY A 51 -7.425 -29.037 5.268 1.00 0.00 O ATOM 0 H GLY A 51 -6.321 -28.681 3.107 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -4.956 -30.313 4.712 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -4.176 -28.792 5.099 1.00 0.00 H new ATOM 700 N LYS A 52 -5.914 -28.373 6.815 1.00 0.00 N ATOM 701 CA LYS A 52 -6.918 -27.983 7.790 1.00 0.00 C ATOM 702 C LYS A 52 -6.443 -26.732 8.532 1.00 0.00 C ATOM 703 O LYS A 52 -5.390 -26.181 8.217 1.00 0.00 O ATOM 704 CB LYS A 52 -7.252 -29.156 8.713 1.00 0.00 C ATOM 705 CG LYS A 52 -6.002 -29.979 9.029 1.00 0.00 C ATOM 706 CD LYS A 52 -6.035 -31.327 8.307 1.00 0.00 C ATOM 707 CE LYS A 52 -6.139 -32.481 9.306 1.00 0.00 C ATOM 708 NZ LYS A 52 -6.576 -33.720 8.623 1.00 0.00 N ATOM 0 H LYS A 52 -4.950 -28.234 7.117 1.00 0.00 H new ATOM 0 HA LYS A 52 -7.852 -27.723 7.292 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -7.689 -28.782 9.639 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -8.001 -29.792 8.242 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -5.112 -29.424 8.731 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -5.931 -30.140 10.105 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -6.883 -31.356 7.622 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -5.134 -31.443 7.704 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -5.173 -32.644 9.785 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -6.846 -32.225 10.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -6.641 -34.493 9.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -7.507 -33.566 8.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -5.886 -33.972 7.887 1.00 0.00 H new ATOM 722 N LYS A 53 -7.244 -26.320 9.505 1.00 0.00 N ATOM 723 CA LYS A 53 -6.918 -25.145 10.294 1.00 0.00 C ATOM 724 C LYS A 53 -5.849 -25.510 11.327 1.00 0.00 C ATOM 725 O LYS A 53 -5.269 -24.630 11.962 1.00 0.00 O ATOM 726 CB LYS A 53 -8.185 -24.543 10.907 1.00 0.00 C ATOM 727 CG LYS A 53 -9.138 -24.048 9.817 1.00 0.00 C ATOM 728 CD LYS A 53 -10.486 -23.638 10.414 1.00 0.00 C ATOM 729 CE LYS A 53 -11.368 -22.961 9.362 1.00 0.00 C ATOM 730 NZ LYS A 53 -12.792 -23.299 9.585 1.00 0.00 N ATOM 0 H LYS A 53 -8.117 -26.779 9.764 1.00 0.00 H new ATOM 0 HA LYS A 53 -6.496 -24.365 9.660 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -8.687 -25.290 11.522 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -7.918 -23.716 11.565 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -8.693 -23.200 9.297 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -9.288 -24.833 9.076 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -10.995 -24.517 10.810 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -10.326 -22.959 11.251 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -11.233 -21.880 9.407 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -11.064 -23.279 8.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -13.383 -22.471 9.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -13.063 -24.088 8.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -12.932 -23.575 10.578 1.00 0.00 H new ATOM 744 N THR A 54 -5.621 -26.808 11.462 1.00 0.00 N ATOM 745 CA THR A 54 -4.633 -27.299 12.407 1.00 0.00 C ATOM 746 C THR A 54 -3.276 -27.466 11.720 1.00 0.00 C ATOM 747 O THR A 54 -2.242 -27.118 12.288 1.00 0.00 O ATOM 748 CB THR A 54 -5.167 -28.596 13.019 1.00 0.00 C ATOM 749 OG1 THR A 54 -4.962 -29.571 12.000 1.00 0.00 O ATOM 750 CG2 THR A 54 -6.685 -28.570 13.211 1.00 0.00 C ATOM 0 H THR A 54 -6.103 -27.534 10.933 1.00 0.00 H new ATOM 0 HA THR A 54 -4.469 -26.585 13.214 1.00 0.00 H new ATOM 0 HB THR A 54 -4.682 -28.771 13.980 1.00 0.00 H new ATOM 0 HG1 THR A 54 -5.279 -30.444 12.314 1.00 0.00 H new ATOM 0 HG21 THR A 54 -7.013 -29.513 13.648 1.00 0.00 H new ATOM 0 HG22 THR A 54 -6.954 -27.749 13.876 1.00 0.00 H new ATOM 0 HG23 THR A 54 -7.171 -28.429 12.246 1.00 0.00 H new ATOM 758 N ASP A 55 -3.323 -27.998 10.508 1.00 0.00 N ATOM 759 CA ASP A 55 -2.111 -28.215 9.737 1.00 0.00 C ATOM 760 C ASP A 55 -1.190 -27.003 9.892 1.00 0.00 C ATOM 761 O ASP A 55 -1.646 -25.862 9.841 1.00 0.00 O ATOM 762 CB ASP A 55 -2.426 -28.382 8.249 1.00 0.00 C ATOM 763 CG ASP A 55 -2.907 -29.776 7.843 1.00 0.00 C ATOM 764 OD1 ASP A 55 -3.049 -30.617 8.758 1.00 0.00 O ATOM 765 OD2 ASP A 55 -3.124 -29.970 6.627 1.00 0.00 O ATOM 0 H ASP A 55 -4.183 -28.286 10.040 1.00 0.00 H new ATOM 0 HA ASP A 55 -1.634 -29.122 10.108 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -3.189 -27.655 7.971 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -1.532 -28.141 7.674 1.00 0.00 H new ATOM 770 N LYS A 56 0.090 -27.292 10.078 1.00 0.00 N ATOM 771 CA LYS A 56 1.079 -26.240 10.241 1.00 0.00 C ATOM 772 C LYS A 56 0.993 -25.277 9.055 1.00 0.00 C ATOM 773 O LYS A 56 0.938 -24.063 9.240 1.00 0.00 O ATOM 774 CB LYS A 56 2.471 -26.841 10.446 1.00 0.00 C ATOM 775 CG LYS A 56 3.550 -25.758 10.383 1.00 0.00 C ATOM 776 CD LYS A 56 3.551 -24.911 11.658 1.00 0.00 C ATOM 777 CE LYS A 56 4.427 -23.668 11.489 1.00 0.00 C ATOM 778 NZ LYS A 56 3.911 -22.555 12.317 1.00 0.00 N ATOM 0 H LYS A 56 0.465 -28.240 10.119 1.00 0.00 H new ATOM 0 HA LYS A 56 0.873 -25.659 11.140 1.00 0.00 H new ATOM 0 HB2 LYS A 56 2.514 -27.347 11.411 1.00 0.00 H new ATOM 0 HB3 LYS A 56 2.662 -27.595 9.682 1.00 0.00 H new ATOM 0 HG2 LYS A 56 4.528 -26.221 10.249 1.00 0.00 H new ATOM 0 HG3 LYS A 56 3.378 -25.118 9.517 1.00 0.00 H new ATOM 0 HD2 LYS A 56 2.531 -24.612 11.901 1.00 0.00 H new ATOM 0 HD3 LYS A 56 3.916 -25.507 12.495 1.00 0.00 H new ATOM 0 HE2 LYS A 56 5.453 -23.897 11.776 1.00 0.00 H new ATOM 0 HE3 LYS A 56 4.448 -23.370 10.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 4.517 -21.719 12.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 2.940 -22.326 12.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 3.914 -22.837 13.318 1.00 0.00 H new ATOM 792 N LYS A 57 0.984 -25.856 7.863 1.00 0.00 N ATOM 793 CA LYS A 57 0.906 -25.065 6.647 1.00 0.00 C ATOM 794 C LYS A 57 -0.080 -23.913 6.856 1.00 0.00 C ATOM 795 O LYS A 57 0.300 -22.745 6.780 1.00 0.00 O ATOM 796 CB LYS A 57 0.567 -25.955 5.450 1.00 0.00 C ATOM 797 CG LYS A 57 0.422 -25.124 4.173 1.00 0.00 C ATOM 798 CD LYS A 57 1.789 -24.672 3.655 1.00 0.00 C ATOM 799 CE LYS A 57 2.495 -25.806 2.909 1.00 0.00 C ATOM 800 NZ LYS A 57 3.945 -25.799 3.207 1.00 0.00 N ATOM 0 H LYS A 57 1.029 -26.864 7.714 1.00 0.00 H new ATOM 0 HA LYS A 57 1.874 -24.619 6.419 1.00 0.00 H new ATOM 0 HB2 LYS A 57 1.349 -26.702 5.315 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -0.360 -26.495 5.644 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.085 -25.712 3.408 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -0.202 -24.253 4.371 1.00 0.00 H new ATOM 0 HD2 LYS A 57 1.666 -23.817 2.991 1.00 0.00 H new ATOM 0 HD3 LYS A 57 2.407 -24.341 4.490 1.00 0.00 H new ATOM 0 HE2 LYS A 57 2.063 -26.764 3.198 1.00 0.00 H new ATOM 0 HE3 LYS A 57 2.338 -25.697 1.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 4.409 -26.575 2.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 4.356 -24.891 2.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 4.090 -25.926 4.229 1.00 0.00 H new ATOM 814 N TYR A 58 -1.325 -24.282 7.116 1.00 0.00 N ATOM 815 CA TYR A 58 -2.368 -23.295 7.336 1.00 0.00 C ATOM 816 C TYR A 58 -1.863 -22.151 8.219 1.00 0.00 C ATOM 817 O TYR A 58 -2.023 -20.981 7.877 1.00 0.00 O ATOM 818 CB TYR A 58 -3.495 -24.027 8.067 1.00 0.00 C ATOM 819 CG TYR A 58 -4.706 -23.148 8.384 1.00 0.00 C ATOM 820 CD1 TYR A 58 -5.596 -22.812 7.384 1.00 0.00 C ATOM 821 CD2 TYR A 58 -4.909 -22.690 9.670 1.00 0.00 C ATOM 822 CE1 TYR A 58 -6.735 -21.984 7.682 1.00 0.00 C ATOM 823 CE2 TYR A 58 -6.049 -21.862 9.968 1.00 0.00 C ATOM 824 CZ TYR A 58 -6.906 -21.550 8.959 1.00 0.00 C ATOM 825 OH TYR A 58 -7.982 -20.768 9.241 1.00 0.00 O ATOM 0 H TYR A 58 -1.635 -25.252 7.179 1.00 0.00 H new ATOM 0 HA TYR A 58 -2.694 -22.865 6.389 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -3.821 -24.871 7.458 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -3.104 -24.438 8.998 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -5.438 -23.170 6.378 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -4.213 -22.953 10.453 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -7.438 -21.713 6.908 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -6.220 -21.497 10.970 1.00 0.00 H new ATOM 0 HH TYR A 58 -7.976 -20.534 10.193 1.00 0.00 H new ATOM 835 N LEU A 59 -1.263 -22.531 9.338 1.00 0.00 N ATOM 836 CA LEU A 59 -0.733 -21.552 10.272 1.00 0.00 C ATOM 837 C LEU A 59 0.280 -20.661 9.550 1.00 0.00 C ATOM 838 O LEU A 59 0.144 -19.439 9.545 1.00 0.00 O ATOM 839 CB LEU A 59 -0.167 -22.247 11.512 1.00 0.00 C ATOM 840 CG LEU A 59 -1.197 -22.802 12.499 1.00 0.00 C ATOM 841 CD1 LEU A 59 -1.901 -24.032 11.923 1.00 0.00 C ATOM 842 CD2 LEU A 59 -0.554 -23.092 13.857 1.00 0.00 C ATOM 0 H LEU A 59 -1.132 -23.503 9.619 1.00 0.00 H new ATOM 0 HA LEU A 59 -1.529 -20.901 10.635 1.00 0.00 H new ATOM 0 HB2 LEU A 59 0.472 -23.067 11.185 1.00 0.00 H new ATOM 0 HB3 LEU A 59 0.470 -21.539 12.042 1.00 0.00 H new ATOM 0 HG LEU A 59 -1.960 -22.041 12.660 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.627 -24.406 12.644 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -2.413 -23.759 11.000 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -1.165 -24.808 11.714 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -1.307 -23.485 14.540 1.00 0.00 H new ATOM 0 HD22 LEU A 59 0.242 -23.826 13.733 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -0.138 -22.171 14.267 1.00 0.00 H new ATOM 854 N MET A 60 1.273 -21.308 8.958 1.00 0.00 N ATOM 855 CA MET A 60 2.309 -20.590 8.235 1.00 0.00 C ATOM 856 C MET A 60 1.706 -19.477 7.375 1.00 0.00 C ATOM 857 O MET A 60 2.168 -18.338 7.413 1.00 0.00 O ATOM 858 CB MET A 60 3.079 -21.565 7.343 1.00 0.00 C ATOM 859 CG MET A 60 4.519 -21.735 7.832 1.00 0.00 C ATOM 860 SD MET A 60 5.276 -23.136 7.025 1.00 0.00 S ATOM 861 CE MET A 60 5.075 -22.655 5.317 1.00 0.00 C ATOM 0 H MET A 60 1.382 -22.322 8.964 1.00 0.00 H new ATOM 0 HA MET A 60 2.985 -20.137 8.960 1.00 0.00 H new ATOM 0 HB2 MET A 60 2.577 -22.532 7.337 1.00 0.00 H new ATOM 0 HB3 MET A 60 3.081 -21.200 6.316 1.00 0.00 H new ATOM 0 HG2 MET A 60 5.092 -20.831 7.623 1.00 0.00 H new ATOM 0 HG3 MET A 60 4.531 -21.877 8.913 1.00 0.00 H new ATOM 0 HE1 MET A 60 5.676 -23.306 4.682 1.00 0.00 H new ATOM 0 HE2 MET A 60 4.026 -22.742 5.036 1.00 0.00 H new ATOM 0 HE3 MET A 60 5.401 -21.623 5.189 1.00 0.00 H new ATOM 871 N ILE A 61 0.682 -19.847 6.619 1.00 0.00 N ATOM 872 CA ILE A 61 0.011 -18.895 5.750 1.00 0.00 C ATOM 873 C ILE A 61 -0.751 -17.881 6.605 1.00 0.00 C ATOM 874 O ILE A 61 -0.720 -16.682 6.330 1.00 0.00 O ATOM 875 CB ILE A 61 -0.867 -19.625 4.732 1.00 0.00 C ATOM 876 CG1 ILE A 61 -0.016 -20.447 3.763 1.00 0.00 C ATOM 877 CG2 ILE A 61 -1.786 -18.646 3.999 1.00 0.00 C ATOM 878 CD1 ILE A 61 -0.846 -21.549 3.102 1.00 0.00 C ATOM 0 H ILE A 61 0.301 -20.793 6.590 1.00 0.00 H new ATOM 0 HA ILE A 61 0.739 -18.335 5.164 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.506 -20.324 5.272 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.403 -19.794 2.997 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.824 -20.891 4.298 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -2.399 -19.191 3.281 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -2.431 -18.143 4.720 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.183 -17.906 3.473 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.216 -22.118 2.418 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -1.243 -22.215 3.868 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.671 -21.101 2.548 1.00 0.00 H new ATOM 890 N GLU A 62 -1.419 -18.399 7.626 1.00 0.00 N ATOM 891 CA GLU A 62 -2.188 -17.553 8.523 1.00 0.00 C ATOM 892 C GLU A 62 -1.304 -16.445 9.097 1.00 0.00 C ATOM 893 O GLU A 62 -1.640 -15.266 9.003 1.00 0.00 O ATOM 894 CB GLU A 62 -2.827 -18.379 9.641 1.00 0.00 C ATOM 895 CG GLU A 62 -3.983 -17.618 10.293 1.00 0.00 C ATOM 896 CD GLU A 62 -3.525 -16.245 10.789 1.00 0.00 C ATOM 897 OE1 GLU A 62 -2.461 -16.204 11.444 1.00 0.00 O ATOM 898 OE2 GLU A 62 -4.249 -15.267 10.503 1.00 0.00 O ATOM 0 H GLU A 62 -1.443 -19.393 7.852 1.00 0.00 H new ATOM 0 HA GLU A 62 -2.993 -17.089 7.953 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -3.191 -19.324 9.237 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -2.076 -18.622 10.393 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -4.794 -17.497 9.575 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -4.379 -18.197 11.128 1.00 0.00 H new ATOM 905 N GLU A 63 -0.189 -16.863 9.679 1.00 0.00 N ATOM 906 CA GLU A 63 0.746 -15.920 10.268 1.00 0.00 C ATOM 907 C GLU A 63 1.335 -15.011 9.188 1.00 0.00 C ATOM 908 O GLU A 63 1.448 -13.802 9.383 1.00 0.00 O ATOM 909 CB GLU A 63 1.852 -16.650 11.033 1.00 0.00 C ATOM 910 CG GLU A 63 3.102 -16.815 10.165 1.00 0.00 C ATOM 911 CD GLU A 63 4.186 -17.599 10.908 1.00 0.00 C ATOM 912 OE1 GLU A 63 4.028 -18.835 11.002 1.00 0.00 O ATOM 913 OE2 GLU A 63 5.147 -16.944 11.365 1.00 0.00 O ATOM 0 H GLU A 63 0.087 -17.842 9.755 1.00 0.00 H new ATOM 0 HA GLU A 63 0.204 -15.299 10.982 1.00 0.00 H new ATOM 0 HB2 GLU A 63 2.103 -16.093 11.936 1.00 0.00 H new ATOM 0 HB3 GLU A 63 1.494 -17.629 11.351 1.00 0.00 H new ATOM 0 HG2 GLU A 63 2.842 -17.333 9.242 1.00 0.00 H new ATOM 0 HG3 GLU A 63 3.486 -15.834 9.884 1.00 0.00 H new ATOM 920 N TYR A 64 1.695 -15.628 8.072 1.00 0.00 N ATOM 921 CA TYR A 64 2.269 -14.889 6.960 1.00 0.00 C ATOM 922 C TYR A 64 1.314 -13.797 6.475 1.00 0.00 C ATOM 923 O TYR A 64 1.716 -12.648 6.300 1.00 0.00 O ATOM 924 CB TYR A 64 2.472 -15.908 5.837 1.00 0.00 C ATOM 925 CG TYR A 64 3.843 -16.588 5.853 1.00 0.00 C ATOM 926 CD1 TYR A 64 4.977 -15.848 6.121 1.00 0.00 C ATOM 927 CD2 TYR A 64 3.945 -17.940 5.600 1.00 0.00 C ATOM 928 CE1 TYR A 64 6.267 -16.487 6.137 1.00 0.00 C ATOM 929 CE2 TYR A 64 5.235 -18.580 5.616 1.00 0.00 C ATOM 930 CZ TYR A 64 6.333 -17.822 5.883 1.00 0.00 C ATOM 931 OH TYR A 64 7.551 -18.426 5.898 1.00 0.00 O ATOM 0 H TYR A 64 1.600 -16.631 7.914 1.00 0.00 H new ATOM 0 HA TYR A 64 3.199 -14.406 7.260 1.00 0.00 H new ATOM 0 HB2 TYR A 64 1.698 -16.672 5.910 1.00 0.00 H new ATOM 0 HB3 TYR A 64 2.337 -15.408 4.878 1.00 0.00 H new ATOM 0 HD1 TYR A 64 4.897 -14.789 6.319 1.00 0.00 H new ATOM 0 HD2 TYR A 64 3.058 -18.519 5.390 1.00 0.00 H new ATOM 0 HE1 TYR A 64 7.162 -15.920 6.346 1.00 0.00 H new ATOM 0 HE2 TYR A 64 5.329 -19.638 5.420 1.00 0.00 H new ATOM 0 HH TYR A 64 7.445 -19.380 5.701 1.00 0.00 H new ATOM 941 N LEU A 65 0.066 -14.195 6.272 1.00 0.00 N ATOM 942 CA LEU A 65 -0.950 -13.264 5.811 1.00 0.00 C ATOM 943 C LEU A 65 -0.992 -12.056 6.749 1.00 0.00 C ATOM 944 O LEU A 65 -0.570 -10.962 6.378 1.00 0.00 O ATOM 945 CB LEU A 65 -2.297 -13.973 5.661 1.00 0.00 C ATOM 946 CG LEU A 65 -2.402 -14.978 4.511 1.00 0.00 C ATOM 947 CD1 LEU A 65 -3.630 -15.875 4.678 1.00 0.00 C ATOM 948 CD2 LEU A 65 -2.392 -14.265 3.158 1.00 0.00 C ATOM 0 H LEU A 65 -0.264 -15.149 6.418 1.00 0.00 H new ATOM 0 HA LEU A 65 -0.701 -12.889 4.818 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -2.517 -14.493 6.593 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -3.070 -13.217 5.528 1.00 0.00 H new ATOM 0 HG LEU A 65 -1.525 -15.625 4.540 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -3.681 -16.580 3.848 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -3.554 -16.424 5.616 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -4.530 -15.261 4.689 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.468 -15.002 2.358 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -3.238 -13.580 3.102 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.463 -13.705 3.049 1.00 0.00 H new ATOM 960 N THR A 66 -1.506 -12.295 7.947 1.00 0.00 N ATOM 961 CA THR A 66 -1.609 -11.240 8.941 1.00 0.00 C ATOM 962 C THR A 66 -0.322 -10.414 8.978 1.00 0.00 C ATOM 963 O THR A 66 -0.368 -9.188 9.053 1.00 0.00 O ATOM 964 CB THR A 66 -1.955 -11.887 10.283 1.00 0.00 C ATOM 965 OG1 THR A 66 -3.375 -12.006 10.256 1.00 0.00 O ATOM 966 CG2 THR A 66 -1.682 -10.959 11.469 1.00 0.00 C ATOM 0 H THR A 66 -1.855 -13.204 8.251 1.00 0.00 H new ATOM 0 HA THR A 66 -2.402 -10.536 8.689 1.00 0.00 H new ATOM 0 HB THR A 66 -1.380 -12.806 10.401 1.00 0.00 H new ATOM 0 HG1 THR A 66 -3.685 -12.418 11.089 1.00 0.00 H new ATOM 0 HG21 THR A 66 -1.945 -11.467 12.397 1.00 0.00 H new ATOM 0 HG22 THR A 66 -0.625 -10.694 11.487 1.00 0.00 H new ATOM 0 HG23 THR A 66 -2.282 -10.054 11.369 1.00 0.00 H new ATOM 974 N LYS A 67 0.798 -11.121 8.924 1.00 0.00 N ATOM 975 CA LYS A 67 2.096 -10.469 8.951 1.00 0.00 C ATOM 976 C LYS A 67 2.035 -9.185 8.121 1.00 0.00 C ATOM 977 O LYS A 67 2.514 -8.138 8.553 1.00 0.00 O ATOM 978 CB LYS A 67 3.192 -11.438 8.503 1.00 0.00 C ATOM 979 CG LYS A 67 4.209 -11.671 9.622 1.00 0.00 C ATOM 980 CD LYS A 67 4.585 -13.151 9.722 1.00 0.00 C ATOM 981 CE LYS A 67 4.846 -13.554 11.175 1.00 0.00 C ATOM 982 NZ LYS A 67 6.217 -13.173 11.580 1.00 0.00 N ATOM 0 H LYS A 67 0.833 -12.138 8.862 1.00 0.00 H new ATOM 0 HA LYS A 67 2.355 -10.179 9.969 1.00 0.00 H new ATOM 0 HB2 LYS A 67 2.745 -12.388 8.210 1.00 0.00 H new ATOM 0 HB3 LYS A 67 3.698 -11.039 7.624 1.00 0.00 H new ATOM 0 HG2 LYS A 67 5.103 -11.077 9.435 1.00 0.00 H new ATOM 0 HG3 LYS A 67 3.794 -11.333 10.571 1.00 0.00 H new ATOM 0 HD2 LYS A 67 3.782 -13.762 9.310 1.00 0.00 H new ATOM 0 HD3 LYS A 67 5.474 -13.345 9.122 1.00 0.00 H new ATOM 0 HE2 LYS A 67 4.120 -13.071 11.829 1.00 0.00 H new ATOM 0 HE3 LYS A 67 4.712 -14.630 11.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 6.378 -13.454 12.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 6.906 -13.654 10.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 6.332 -12.143 11.489 1.00 0.00 H new ATOM 996 N GLU A 68 1.440 -9.308 6.943 1.00 0.00 N ATOM 997 CA GLU A 68 1.309 -8.170 6.048 1.00 0.00 C ATOM 998 C GLU A 68 0.343 -7.140 6.637 1.00 0.00 C ATOM 999 O GLU A 68 0.640 -5.947 6.659 1.00 0.00 O ATOM 1000 CB GLU A 68 0.855 -8.616 4.657 1.00 0.00 C ATOM 1001 CG GLU A 68 1.952 -9.418 3.953 1.00 0.00 C ATOM 1002 CD GLU A 68 1.949 -10.876 4.418 1.00 0.00 C ATOM 1003 OE1 GLU A 68 0.851 -11.473 4.405 1.00 0.00 O ATOM 1004 OE2 GLU A 68 3.045 -11.359 4.775 1.00 0.00 O ATOM 0 H GLU A 68 1.043 -10.178 6.588 1.00 0.00 H new ATOM 0 HA GLU A 68 2.287 -7.702 5.941 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -0.046 -9.223 4.742 1.00 0.00 H new ATOM 0 HB3 GLU A 68 0.596 -7.743 4.058 1.00 0.00 H new ATOM 0 HG2 GLU A 68 1.803 -9.376 2.874 1.00 0.00 H new ATOM 0 HG3 GLU A 68 2.924 -8.969 4.158 1.00 0.00 H new ATOM 1011 N LEU A 69 -0.794 -7.640 7.099 1.00 0.00 N ATOM 1012 CA LEU A 69 -1.806 -6.778 7.686 1.00 0.00 C ATOM 1013 C LEU A 69 -1.128 -5.738 8.580 1.00 0.00 C ATOM 1014 O LEU A 69 -1.338 -4.538 8.412 1.00 0.00 O ATOM 1015 CB LEU A 69 -2.866 -7.612 8.408 1.00 0.00 C ATOM 1016 CG LEU A 69 -3.788 -8.444 7.514 1.00 0.00 C ATOM 1017 CD1 LEU A 69 -4.746 -9.292 8.353 1.00 0.00 C ATOM 1018 CD2 LEU A 69 -4.533 -7.556 6.516 1.00 0.00 C ATOM 0 H LEU A 69 -1.037 -8.631 7.079 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.339 -6.231 6.908 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.361 -8.285 9.101 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -3.482 -6.941 9.007 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.172 -9.132 6.935 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -5.390 -9.873 7.693 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.173 -9.967 8.988 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -5.359 -8.640 8.976 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.181 -8.173 5.893 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.136 -6.827 7.057 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.813 -7.034 5.885 1.00 0.00 H new ATOM 1030 N LEU A 70 -0.328 -6.237 9.511 1.00 0.00 N ATOM 1031 CA LEU A 70 0.383 -5.366 10.432 1.00 0.00 C ATOM 1032 C LEU A 70 1.165 -4.319 9.636 1.00 0.00 C ATOM 1033 O LEU A 70 1.168 -3.140 9.989 1.00 0.00 O ATOM 1034 CB LEU A 70 1.251 -6.188 11.386 1.00 0.00 C ATOM 1035 CG LEU A 70 0.499 -7.083 12.374 1.00 0.00 C ATOM 1036 CD1 LEU A 70 1.284 -8.366 12.658 1.00 0.00 C ATOM 1037 CD2 LEU A 70 0.161 -6.322 13.657 1.00 0.00 C ATOM 0 H LEU A 70 -0.156 -7.233 9.647 1.00 0.00 H new ATOM 0 HA LEU A 70 -0.321 -4.826 11.065 1.00 0.00 H new ATOM 0 HB2 LEU A 70 1.916 -6.815 10.792 1.00 0.00 H new ATOM 0 HB3 LEU A 70 1.881 -5.503 11.954 1.00 0.00 H new ATOM 0 HG LEU A 70 -0.446 -7.377 11.917 1.00 0.00 H new ATOM 0 HD11 LEU A 70 0.728 -8.984 13.363 1.00 0.00 H new ATOM 0 HD12 LEU A 70 1.430 -8.917 11.729 1.00 0.00 H new ATOM 0 HD13 LEU A 70 2.254 -8.112 13.085 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -0.373 -6.981 14.341 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.081 -5.978 14.129 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -0.466 -5.464 13.416 1.00 0.00 H new ATOM 1049 N ALA A 71 1.811 -4.788 8.578 1.00 0.00 N ATOM 1050 CA ALA A 71 2.595 -3.907 7.730 1.00 0.00 C ATOM 1051 C ALA A 71 1.662 -2.922 7.023 1.00 0.00 C ATOM 1052 O ALA A 71 2.090 -1.848 6.604 1.00 0.00 O ATOM 1053 CB ALA A 71 3.415 -4.743 6.745 1.00 0.00 C ATOM 0 H ALA A 71 1.807 -5.766 8.289 1.00 0.00 H new ATOM 0 HA ALA A 71 3.297 -3.325 8.327 1.00 0.00 H new ATOM 0 HB1 ALA A 71 4.003 -4.082 6.109 1.00 0.00 H new ATOM 0 HB2 ALA A 71 4.083 -5.404 7.297 1.00 0.00 H new ATOM 0 HB3 ALA A 71 2.744 -5.339 6.127 1.00 0.00 H new ATOM 1059 N LEU A 72 0.404 -3.324 6.912 1.00 0.00 N ATOM 1060 CA LEU A 72 -0.593 -2.491 6.262 1.00 0.00 C ATOM 1061 C LEU A 72 -1.167 -1.503 7.280 1.00 0.00 C ATOM 1062 O LEU A 72 -1.208 -0.300 7.028 1.00 0.00 O ATOM 1063 CB LEU A 72 -1.654 -3.357 5.581 1.00 0.00 C ATOM 1064 CG LEU A 72 -1.257 -3.969 4.236 1.00 0.00 C ATOM 1065 CD1 LEU A 72 -2.136 -5.176 3.902 1.00 0.00 C ATOM 1066 CD2 LEU A 72 -1.283 -2.917 3.125 1.00 0.00 C ATOM 0 H LEU A 72 0.053 -4.216 7.261 1.00 0.00 H new ATOM 0 HA LEU A 72 -0.137 -1.902 5.466 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.925 -4.166 6.260 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -2.548 -2.752 5.433 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.231 -4.329 4.315 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.833 -5.592 2.941 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -2.023 -5.934 4.677 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -3.179 -4.863 3.849 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -0.997 -3.379 2.180 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -2.288 -2.505 3.038 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -0.582 -2.117 3.365 1.00 0.00 H new ATOM 1078 N ASP A 73 -1.596 -2.048 8.409 1.00 0.00 N ATOM 1079 CA ASP A 73 -2.166 -1.230 9.466 1.00 0.00 C ATOM 1080 C ASP A 73 -1.091 -0.287 10.010 1.00 0.00 C ATOM 1081 O ASP A 73 -1.407 0.745 10.600 1.00 0.00 O ATOM 1082 CB ASP A 73 -2.665 -2.096 10.624 1.00 0.00 C ATOM 1083 CG ASP A 73 -4.108 -1.829 11.056 1.00 0.00 C ATOM 1084 OD1 ASP A 73 -5.013 -2.314 10.343 1.00 0.00 O ATOM 1085 OD2 ASP A 73 -4.274 -1.145 12.089 1.00 0.00 O ATOM 0 H ASP A 73 -1.560 -3.046 8.615 1.00 0.00 H new ATOM 0 HA ASP A 73 -3.003 -0.672 9.047 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -2.575 -3.144 10.339 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -2.010 -1.942 11.482 1.00 0.00 H new ATOM 1090 N SER A 74 0.157 -0.675 9.793 1.00 0.00 N ATOM 1091 CA SER A 74 1.280 0.123 10.254 1.00 0.00 C ATOM 1092 C SER A 74 1.388 1.404 9.423 1.00 0.00 C ATOM 1093 O SER A 74 2.211 2.270 9.715 1.00 0.00 O ATOM 1094 CB SER A 74 2.587 -0.669 10.179 1.00 0.00 C ATOM 1095 OG SER A 74 3.699 0.089 10.648 1.00 0.00 O ATOM 0 H SER A 74 0.415 -1.532 9.304 1.00 0.00 H new ATOM 0 HA SER A 74 1.106 0.387 11.297 1.00 0.00 H new ATOM 0 HB2 SER A 74 2.494 -1.579 10.771 1.00 0.00 H new ATOM 0 HB3 SER A 74 2.766 -0.976 9.149 1.00 0.00 H new ATOM 0 HG SER A 74 3.562 1.036 10.435 1.00 0.00 H new ATOM 1101 N VAL A 75 0.545 1.484 8.405 1.00 0.00 N ATOM 1102 CA VAL A 75 0.535 2.644 7.530 1.00 0.00 C ATOM 1103 C VAL A 75 -0.328 3.742 8.156 1.00 0.00 C ATOM 1104 O VAL A 75 -1.458 3.488 8.569 1.00 0.00 O ATOM 1105 CB VAL A 75 0.066 2.240 6.131 1.00 0.00 C ATOM 1106 CG1 VAL A 75 0.054 3.445 5.188 1.00 0.00 C ATOM 1107 CG2 VAL A 75 0.932 1.111 5.567 1.00 0.00 C ATOM 0 H VAL A 75 -0.137 0.764 8.166 1.00 0.00 H new ATOM 0 HA VAL A 75 1.542 3.046 7.417 1.00 0.00 H new ATOM 0 HB VAL A 75 -0.956 1.869 6.214 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -0.283 3.131 4.200 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -0.623 4.205 5.578 1.00 0.00 H new ATOM 0 HG13 VAL A 75 1.060 3.859 5.113 1.00 0.00 H new ATOM 0 HG21 VAL A 75 0.577 0.843 4.572 1.00 0.00 H new ATOM 0 HG22 VAL A 75 1.968 1.443 5.506 1.00 0.00 H new ATOM 0 HG23 VAL A 75 0.868 0.242 6.221 1.00 0.00 H new ATOM 1117 N ASP A 76 0.239 4.938 8.206 1.00 0.00 N ATOM 1118 CA ASP A 76 -0.464 6.076 8.775 1.00 0.00 C ATOM 1119 C ASP A 76 -0.810 7.065 7.660 1.00 0.00 C ATOM 1120 O ASP A 76 0.037 7.853 7.240 1.00 0.00 O ATOM 1121 CB ASP A 76 0.405 6.804 9.801 1.00 0.00 C ATOM 1122 CG ASP A 76 0.810 5.967 11.016 1.00 0.00 C ATOM 1123 OD1 ASP A 76 1.797 5.212 10.882 1.00 0.00 O ATOM 1124 OD2 ASP A 76 0.123 6.100 12.052 1.00 0.00 O ATOM 0 H ASP A 76 1.177 5.144 7.862 1.00 0.00 H new ATOM 0 HA ASP A 76 -1.365 5.706 9.265 1.00 0.00 H new ATOM 0 HB2 ASP A 76 1.309 7.157 9.304 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -0.132 7.686 10.149 1.00 0.00 H new ATOM 1129 N PRO A 77 -2.087 6.991 7.200 1.00 0.00 N ATOM 1130 CA PRO A 77 -2.555 7.871 6.143 1.00 0.00 C ATOM 1131 C PRO A 77 -2.791 9.287 6.672 1.00 0.00 C ATOM 1132 O PRO A 77 -2.677 10.259 5.926 1.00 0.00 O ATOM 1133 CB PRO A 77 -3.821 7.214 5.616 1.00 0.00 C ATOM 1134 CG PRO A 77 -4.269 6.246 6.698 1.00 0.00 C ATOM 1135 CD PRO A 77 -3.117 6.071 7.674 1.00 0.00 C ATOM 0 HA PRO A 77 -1.824 7.994 5.344 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -4.592 7.958 5.414 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -3.629 6.691 4.679 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -5.150 6.630 7.212 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -4.548 5.287 6.261 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -3.422 6.309 8.693 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -2.757 5.042 7.681 1.00 0.00 H new ATOM 1143 N GLU A 78 -3.115 9.358 7.954 1.00 0.00 N ATOM 1144 CA GLU A 78 -3.368 10.639 8.592 1.00 0.00 C ATOM 1145 C GLU A 78 -4.664 11.252 8.056 1.00 0.00 C ATOM 1146 O GLU A 78 -5.593 11.513 8.819 1.00 0.00 O ATOM 1147 CB GLU A 78 -2.188 11.593 8.394 1.00 0.00 C ATOM 1148 CG GLU A 78 -1.253 11.566 9.604 1.00 0.00 C ATOM 1149 CD GLU A 78 -1.167 12.946 10.261 1.00 0.00 C ATOM 1150 OE1 GLU A 78 -2.162 13.327 10.914 1.00 0.00 O ATOM 1151 OE2 GLU A 78 -0.107 13.588 10.095 1.00 0.00 O ATOM 0 H GLU A 78 -3.208 8.549 8.569 1.00 0.00 H new ATOM 0 HA GLU A 78 -3.483 10.473 9.663 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -1.636 11.313 7.497 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -2.557 12.607 8.238 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -1.612 10.836 10.329 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -0.259 11.245 9.293 1.00 0.00 H new ATOM 1158 N GLY A 79 -4.685 11.463 6.748 1.00 0.00 N ATOM 1159 CA GLY A 79 -5.851 12.040 6.102 1.00 0.00 C ATOM 1160 C GLY A 79 -5.667 12.093 4.584 1.00 0.00 C ATOM 1161 O GLY A 79 -5.986 13.098 3.951 1.00 0.00 O ATOM 0 H GLY A 79 -3.913 11.245 6.118 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -6.735 11.450 6.344 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -6.024 13.045 6.486 1.00 0.00 H new ATOM 1165 N ARG A 80 -5.152 10.998 4.044 1.00 0.00 N ATOM 1166 CA ARG A 80 -4.921 10.907 2.612 1.00 0.00 C ATOM 1167 C ARG A 80 -5.764 9.782 2.009 1.00 0.00 C ATOM 1168 O ARG A 80 -5.378 8.615 2.063 1.00 0.00 O ATOM 1169 CB ARG A 80 -3.444 10.648 2.308 1.00 0.00 C ATOM 1170 CG ARG A 80 -2.599 11.891 2.597 1.00 0.00 C ATOM 1171 CD ARG A 80 -1.605 11.626 3.730 1.00 0.00 C ATOM 1172 NE ARG A 80 -0.272 12.157 3.368 1.00 0.00 N ATOM 1173 CZ ARG A 80 0.875 11.751 3.927 1.00 0.00 C ATOM 1174 NH1 ARG A 80 0.860 10.807 4.878 1.00 0.00 N ATOM 1175 NH2 ARG A 80 2.039 12.288 3.536 1.00 0.00 N ATOM 0 H ARG A 80 -4.888 10.166 4.572 1.00 0.00 H new ATOM 0 HA ARG A 80 -5.210 11.860 2.168 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -3.086 9.813 2.910 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -3.329 10.360 1.263 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -2.060 12.186 1.697 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -3.250 12.723 2.866 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -1.955 12.095 4.649 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -1.539 10.555 3.924 1.00 0.00 H new ATOM 0 HE ARG A 80 -0.224 12.877 2.648 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -0.025 10.398 5.176 1.00 0.00 H new ATOM 0 HH12 ARG A 80 1.734 10.498 5.304 1.00 0.00 H new ATOM 0 HH21 ARG A 80 2.052 13.007 2.812 1.00 0.00 H new ATOM 0 HH22 ARG A 80 2.912 11.978 3.962 1.00 0.00 H new ATOM 1189 N ALA A 81 -6.900 10.171 1.449 1.00 0.00 N ATOM 1190 CA ALA A 81 -7.801 9.210 0.836 1.00 0.00 C ATOM 1191 C ALA A 81 -6.983 8.166 0.073 1.00 0.00 C ATOM 1192 O ALA A 81 -7.090 6.970 0.341 1.00 0.00 O ATOM 1193 CB ALA A 81 -8.795 9.944 -0.066 1.00 0.00 C ATOM 0 H ALA A 81 -7.217 11.139 1.407 1.00 0.00 H new ATOM 0 HA ALA A 81 -8.378 8.686 1.598 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -9.471 9.223 -0.526 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -9.371 10.653 0.529 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -8.252 10.480 -0.845 1.00 0.00 H new ATOM 1199 N ASP A 82 -6.183 8.656 -0.864 1.00 0.00 N ATOM 1200 CA ASP A 82 -5.348 7.780 -1.667 1.00 0.00 C ATOM 1201 C ASP A 82 -4.778 6.671 -0.781 1.00 0.00 C ATOM 1202 O ASP A 82 -4.858 5.493 -1.125 1.00 0.00 O ATOM 1203 CB ASP A 82 -4.173 8.547 -2.278 1.00 0.00 C ATOM 1204 CG ASP A 82 -4.392 9.029 -3.714 1.00 0.00 C ATOM 1205 OD1 ASP A 82 -5.460 9.633 -3.953 1.00 0.00 O ATOM 1206 OD2 ASP A 82 -3.487 8.782 -4.539 1.00 0.00 O ATOM 0 H ASP A 82 -6.096 9.648 -1.084 1.00 0.00 H new ATOM 0 HA ASP A 82 -5.964 7.367 -2.466 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -3.957 9.411 -1.650 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -3.290 7.908 -2.256 1.00 0.00 H new ATOM 1211 N VAL A 83 -4.215 7.087 0.344 1.00 0.00 N ATOM 1212 CA VAL A 83 -3.632 6.143 1.283 1.00 0.00 C ATOM 1213 C VAL A 83 -4.750 5.447 2.060 1.00 0.00 C ATOM 1214 O VAL A 83 -4.907 4.230 1.973 1.00 0.00 O ATOM 1215 CB VAL A 83 -2.629 6.859 2.190 1.00 0.00 C ATOM 1216 CG1 VAL A 83 -1.808 5.854 3.000 1.00 0.00 C ATOM 1217 CG2 VAL A 83 -1.720 7.785 1.379 1.00 0.00 C ATOM 0 H VAL A 83 -4.150 8.065 0.627 1.00 0.00 H new ATOM 0 HA VAL A 83 -3.076 5.370 0.752 1.00 0.00 H new ATOM 0 HB VAL A 83 -3.192 7.474 2.892 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -1.103 6.389 3.636 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -2.475 5.256 3.621 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -1.260 5.200 2.321 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -1.017 8.281 2.048 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -1.169 7.200 0.642 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -2.326 8.534 0.869 1.00 0.00 H new ATOM 1227 N ARG A 84 -5.499 6.248 2.803 1.00 0.00 N ATOM 1228 CA ARG A 84 -6.599 5.724 3.595 1.00 0.00 C ATOM 1229 C ARG A 84 -7.299 4.589 2.845 1.00 0.00 C ATOM 1230 O ARG A 84 -7.649 3.571 3.440 1.00 0.00 O ATOM 1231 CB ARG A 84 -7.618 6.819 3.916 1.00 0.00 C ATOM 1232 CG ARG A 84 -7.086 7.765 4.995 1.00 0.00 C ATOM 1233 CD ARG A 84 -8.218 8.595 5.602 1.00 0.00 C ATOM 1234 NE ARG A 84 -8.681 7.974 6.863 1.00 0.00 N ATOM 1235 CZ ARG A 84 -9.702 8.437 7.598 1.00 0.00 C ATOM 1236 NH1 ARG A 84 -10.372 9.528 7.202 1.00 0.00 N ATOM 1237 NH2 ARG A 84 -10.053 7.808 8.728 1.00 0.00 N ATOM 0 H ARG A 84 -5.366 7.257 2.873 1.00 0.00 H new ATOM 0 HA ARG A 84 -6.184 5.345 4.529 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -7.846 7.384 3.012 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -8.550 6.366 4.253 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -6.592 7.189 5.778 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -6.335 8.427 4.565 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -7.873 9.611 5.793 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -9.046 8.667 4.897 1.00 0.00 H new ATOM 0 HE ARG A 84 -8.193 7.142 7.194 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -10.105 10.006 6.341 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -11.149 9.880 7.761 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -9.543 6.977 9.029 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -10.830 8.160 9.287 1.00 0.00 H new ATOM 1251 N GLN A 85 -7.482 4.802 1.551 1.00 0.00 N ATOM 1252 CA GLN A 85 -8.135 3.810 0.714 1.00 0.00 C ATOM 1253 C GLN A 85 -7.220 2.599 0.516 1.00 0.00 C ATOM 1254 O GLN A 85 -7.523 1.504 0.988 1.00 0.00 O ATOM 1255 CB GLN A 85 -8.546 4.412 -0.631 1.00 0.00 C ATOM 1256 CG GLN A 85 -9.017 3.323 -1.598 1.00 0.00 C ATOM 1257 CD GLN A 85 -10.521 3.431 -1.856 1.00 0.00 C ATOM 1258 OE1 GLN A 85 -10.984 4.226 -2.657 1.00 0.00 O ATOM 1259 NE2 GLN A 85 -11.255 2.590 -1.133 1.00 0.00 N ATOM 0 H GLN A 85 -7.189 5.647 1.061 1.00 0.00 H new ATOM 0 HA GLN A 85 -9.042 3.478 1.218 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -9.344 5.139 -0.480 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -7.703 4.950 -1.066 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -8.476 3.410 -2.540 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -8.785 2.341 -1.186 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -10.803 1.950 -0.480 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -12.270 2.585 -1.231 1.00 0.00 H new ATOM 1268 N ALA A 86 -6.120 2.836 -0.184 1.00 0.00 N ATOM 1269 CA ALA A 86 -5.160 1.779 -0.450 1.00 0.00 C ATOM 1270 C ALA A 86 -4.913 0.985 0.834 1.00 0.00 C ATOM 1271 O ALA A 86 -5.142 -0.223 0.875 1.00 0.00 O ATOM 1272 CB ALA A 86 -3.875 2.387 -1.016 1.00 0.00 C ATOM 0 H ALA A 86 -5.873 3.745 -0.575 1.00 0.00 H new ATOM 0 HA ALA A 86 -5.549 1.086 -1.196 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -3.154 1.594 -1.216 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -4.100 2.915 -1.943 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -3.454 3.086 -0.293 1.00 0.00 H new ATOM 1278 N ARG A 87 -4.449 1.696 1.851 1.00 0.00 N ATOM 1279 CA ARG A 87 -4.169 1.073 3.134 1.00 0.00 C ATOM 1280 C ARG A 87 -5.348 0.200 3.569 1.00 0.00 C ATOM 1281 O ARG A 87 -5.172 -0.756 4.322 1.00 0.00 O ATOM 1282 CB ARG A 87 -3.897 2.126 4.210 1.00 0.00 C ATOM 1283 CG ARG A 87 -3.491 1.468 5.530 1.00 0.00 C ATOM 1284 CD ARG A 87 -3.379 2.506 6.649 1.00 0.00 C ATOM 1285 NE ARG A 87 -3.320 1.829 7.963 1.00 0.00 N ATOM 1286 CZ ARG A 87 -3.767 2.368 9.106 1.00 0.00 C ATOM 1287 NH1 ARG A 87 -4.307 3.594 9.103 1.00 0.00 N ATOM 1288 NH2 ARG A 87 -3.673 1.681 10.253 1.00 0.00 N ATOM 0 H ARG A 87 -4.260 2.698 1.813 1.00 0.00 H new ATOM 0 HA ARG A 87 -3.280 0.454 3.015 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -3.106 2.797 3.876 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -4.788 2.735 4.362 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -4.226 0.711 5.804 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -2.536 0.956 5.407 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -2.486 3.114 6.504 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -4.234 3.181 6.617 1.00 0.00 H new ATOM 0 HE ARG A 87 -2.914 0.894 8.002 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -4.378 4.118 8.231 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -4.647 4.004 9.973 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -3.261 0.748 10.256 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -4.013 2.091 11.123 1.00 0.00 H new ATOM 1302 N ARG A 88 -6.523 0.561 3.076 1.00 0.00 N ATOM 1303 CA ARG A 88 -7.731 -0.177 3.405 1.00 0.00 C ATOM 1304 C ARG A 88 -7.859 -1.411 2.510 1.00 0.00 C ATOM 1305 O ARG A 88 -7.860 -2.540 2.998 1.00 0.00 O ATOM 1306 CB ARG A 88 -8.974 0.698 3.237 1.00 0.00 C ATOM 1307 CG ARG A 88 -9.709 0.870 4.568 1.00 0.00 C ATOM 1308 CD ARG A 88 -10.989 1.687 4.387 1.00 0.00 C ATOM 1309 NE ARG A 88 -11.903 1.456 5.528 1.00 0.00 N ATOM 1310 CZ ARG A 88 -12.651 0.355 5.680 1.00 0.00 C ATOM 1311 NH1 ARG A 88 -12.599 -0.622 4.765 1.00 0.00 N ATOM 1312 NH2 ARG A 88 -13.452 0.231 6.747 1.00 0.00 N ATOM 0 H ARG A 88 -6.665 1.355 2.451 1.00 0.00 H new ATOM 0 HA ARG A 88 -7.657 -0.486 4.448 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -8.686 1.675 2.848 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -9.643 0.248 2.504 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -9.954 -0.109 4.981 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -9.056 1.365 5.287 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -10.746 2.747 4.314 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -11.480 1.407 3.455 1.00 0.00 H new ATOM 0 HE ARG A 88 -11.967 2.180 6.243 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -11.990 -0.528 3.952 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -13.169 -1.460 4.881 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -13.492 0.975 7.444 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -14.021 -0.607 6.863 1.00 0.00 H new ATOM 1326 N ASP A 89 -7.965 -1.154 1.214 1.00 0.00 N ATOM 1327 CA ASP A 89 -8.093 -2.230 0.246 1.00 0.00 C ATOM 1328 C ASP A 89 -6.986 -3.259 0.483 1.00 0.00 C ATOM 1329 O ASP A 89 -7.114 -4.416 0.086 1.00 0.00 O ATOM 1330 CB ASP A 89 -7.951 -1.704 -1.184 1.00 0.00 C ATOM 1331 CG ASP A 89 -8.694 -2.515 -2.248 1.00 0.00 C ATOM 1332 OD1 ASP A 89 -8.662 -3.759 -2.138 1.00 0.00 O ATOM 1333 OD2 ASP A 89 -9.277 -1.871 -3.147 1.00 0.00 O ATOM 0 H ASP A 89 -7.965 -0.216 0.812 1.00 0.00 H new ATOM 0 HA ASP A 89 -9.079 -2.679 0.370 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -8.312 -0.676 -1.214 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -6.892 -1.678 -1.442 1.00 0.00 H new ATOM 1338 N GLY A 90 -5.924 -2.800 1.129 1.00 0.00 N ATOM 1339 CA GLY A 90 -4.796 -3.666 1.424 1.00 0.00 C ATOM 1340 C GLY A 90 -5.179 -4.737 2.448 1.00 0.00 C ATOM 1341 O GLY A 90 -5.226 -5.922 2.124 1.00 0.00 O ATOM 0 H GLY A 90 -5.821 -1.839 1.456 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -4.449 -4.142 0.507 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -3.967 -3.071 1.807 1.00 0.00 H new ATOM 1345 N VAL A 91 -5.443 -4.280 3.663 1.00 0.00 N ATOM 1346 CA VAL A 91 -5.820 -5.184 4.737 1.00 0.00 C ATOM 1347 C VAL A 91 -7.051 -5.988 4.312 1.00 0.00 C ATOM 1348 O VAL A 91 -7.190 -7.155 4.675 1.00 0.00 O ATOM 1349 CB VAL A 91 -6.038 -4.397 6.031 1.00 0.00 C ATOM 1350 CG1 VAL A 91 -4.815 -3.541 6.364 1.00 0.00 C ATOM 1351 CG2 VAL A 91 -7.302 -3.539 5.945 1.00 0.00 C ATOM 0 H VAL A 91 -5.403 -3.296 3.928 1.00 0.00 H new ATOM 0 HA VAL A 91 -5.019 -5.896 4.936 1.00 0.00 H new ATOM 0 HB VAL A 91 -6.175 -5.114 6.840 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -4.996 -2.992 7.288 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -3.944 -4.184 6.489 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -4.632 -2.836 5.553 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -7.433 -2.990 6.878 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -7.208 -2.834 5.119 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -8.167 -4.181 5.777 1.00 0.00 H new ATOM 1361 N ARG A 92 -7.912 -5.332 3.548 1.00 0.00 N ATOM 1362 CA ARG A 92 -9.126 -5.971 3.069 1.00 0.00 C ATOM 1363 C ARG A 92 -8.781 -7.194 2.217 1.00 0.00 C ATOM 1364 O ARG A 92 -9.393 -8.251 2.366 1.00 0.00 O ATOM 1365 CB ARG A 92 -9.969 -5.000 2.239 1.00 0.00 C ATOM 1366 CG ARG A 92 -11.007 -4.291 3.112 1.00 0.00 C ATOM 1367 CD ARG A 92 -12.129 -3.700 2.257 1.00 0.00 C ATOM 1368 NE ARG A 92 -11.586 -2.654 1.362 1.00 0.00 N ATOM 1369 CZ ARG A 92 -12.271 -2.101 0.351 1.00 0.00 C ATOM 1370 NH1 ARG A 92 -13.528 -2.490 0.102 1.00 0.00 N ATOM 1371 NH2 ARG A 92 -11.697 -1.158 -0.409 1.00 0.00 N ATOM 0 H ARG A 92 -7.793 -4.364 3.249 1.00 0.00 H new ATOM 0 HA ARG A 92 -9.703 -6.282 3.940 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -9.321 -4.262 1.767 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -10.471 -5.542 1.438 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -11.425 -4.995 3.831 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -10.526 -3.499 3.685 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -12.600 -4.486 1.667 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -12.902 -3.276 2.899 1.00 0.00 H new ATOM 0 HE ARG A 92 -10.631 -2.334 1.524 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -13.964 -3.207 0.682 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -14.049 -2.069 -0.667 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -10.740 -0.862 -0.218 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -12.217 -0.737 -1.178 1.00 0.00 H new ATOM 1385 N LYS A 93 -7.803 -7.009 1.343 1.00 0.00 N ATOM 1386 CA LYS A 93 -7.370 -8.085 0.467 1.00 0.00 C ATOM 1387 C LYS A 93 -7.031 -9.317 1.308 1.00 0.00 C ATOM 1388 O LYS A 93 -7.642 -10.372 1.144 1.00 0.00 O ATOM 1389 CB LYS A 93 -6.221 -7.616 -0.428 1.00 0.00 C ATOM 1390 CG LYS A 93 -5.429 -8.807 -0.972 1.00 0.00 C ATOM 1391 CD LYS A 93 -6.243 -9.577 -2.014 1.00 0.00 C ATOM 1392 CE LYS A 93 -5.356 -10.551 -2.793 1.00 0.00 C ATOM 1393 NZ LYS A 93 -5.421 -10.264 -4.243 1.00 0.00 N ATOM 0 H LYS A 93 -7.298 -6.131 1.222 1.00 0.00 H new ATOM 0 HA LYS A 93 -8.174 -8.373 -0.210 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -6.617 -7.029 -1.257 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -5.558 -6.962 0.138 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -4.499 -8.456 -1.419 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -5.158 -9.473 -0.153 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -7.046 -10.125 -1.521 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -6.713 -8.876 -2.704 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -4.326 -10.471 -2.446 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -5.677 -11.575 -2.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -4.814 -10.934 -4.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -6.402 -10.363 -4.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -5.093 -9.293 -4.420 1.00 0.00 H new ATOM 1407 N VAL A 94 -6.059 -9.143 2.190 1.00 0.00 N ATOM 1408 CA VAL A 94 -5.632 -10.227 3.058 1.00 0.00 C ATOM 1409 C VAL A 94 -6.862 -10.892 3.679 1.00 0.00 C ATOM 1410 O VAL A 94 -7.042 -12.104 3.562 1.00 0.00 O ATOM 1411 CB VAL A 94 -4.644 -9.704 4.102 1.00 0.00 C ATOM 1412 CG1 VAL A 94 -3.970 -10.859 4.846 1.00 0.00 C ATOM 1413 CG2 VAL A 94 -3.603 -8.785 3.460 1.00 0.00 C ATOM 0 H VAL A 94 -5.554 -8.267 2.323 1.00 0.00 H new ATOM 0 HA VAL A 94 -5.105 -10.990 2.485 1.00 0.00 H new ATOM 0 HB VAL A 94 -5.205 -9.118 4.830 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -3.273 -10.460 5.582 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -4.728 -11.458 5.351 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -3.429 -11.483 4.135 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -2.913 -8.427 4.224 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -3.049 -9.337 2.701 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -4.104 -7.935 2.997 1.00 0.00 H new ATOM 1423 N GLN A 95 -7.676 -10.071 4.325 1.00 0.00 N ATOM 1424 CA GLN A 95 -8.884 -10.565 4.965 1.00 0.00 C ATOM 1425 C GLN A 95 -9.587 -11.579 4.060 1.00 0.00 C ATOM 1426 O GLN A 95 -9.903 -12.687 4.492 1.00 0.00 O ATOM 1427 CB GLN A 95 -9.822 -9.412 5.329 1.00 0.00 C ATOM 1428 CG GLN A 95 -9.270 -8.608 6.508 1.00 0.00 C ATOM 1429 CD GLN A 95 -10.400 -8.125 7.419 1.00 0.00 C ATOM 1430 OE1 GLN A 95 -11.226 -8.892 7.887 1.00 0.00 O ATOM 1431 NE2 GLN A 95 -10.391 -6.814 7.644 1.00 0.00 N ATOM 0 H GLN A 95 -7.523 -9.067 4.419 1.00 0.00 H new ATOM 0 HA GLN A 95 -8.603 -11.067 5.891 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -9.952 -8.758 4.467 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -10.807 -9.805 5.582 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -8.575 -9.224 7.079 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -8.706 -7.752 6.137 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -9.671 -6.229 7.221 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -11.105 -6.394 8.240 1.00 0.00 H new ATOM 1440 N THR A 96 -9.812 -11.163 2.822 1.00 0.00 N ATOM 1441 CA THR A 96 -10.472 -12.022 1.853 1.00 0.00 C ATOM 1442 C THR A 96 -9.695 -13.329 1.682 1.00 0.00 C ATOM 1443 O THR A 96 -10.290 -14.402 1.593 1.00 0.00 O ATOM 1444 CB THR A 96 -10.628 -11.233 0.552 1.00 0.00 C ATOM 1445 OG1 THR A 96 -11.580 -10.221 0.871 1.00 0.00 O ATOM 1446 CG2 THR A 96 -11.308 -12.049 -0.550 1.00 0.00 C ATOM 0 H THR A 96 -9.549 -10.243 2.468 1.00 0.00 H new ATOM 0 HA THR A 96 -11.465 -12.314 2.194 1.00 0.00 H new ATOM 0 HB THR A 96 -9.647 -10.904 0.208 1.00 0.00 H new ATOM 0 HG1 THR A 96 -11.134 -9.491 1.348 1.00 0.00 H new ATOM 0 HG21 THR A 96 -11.394 -11.442 -1.451 1.00 0.00 H new ATOM 0 HG22 THR A 96 -10.713 -12.937 -0.765 1.00 0.00 H new ATOM 0 HG23 THR A 96 -12.302 -12.350 -0.219 1.00 0.00 H new ATOM 1454 N ILE A 97 -8.377 -13.195 1.640 1.00 0.00 N ATOM 1455 CA ILE A 97 -7.513 -14.352 1.481 1.00 0.00 C ATOM 1456 C ILE A 97 -7.704 -15.294 2.671 1.00 0.00 C ATOM 1457 O ILE A 97 -7.763 -16.511 2.501 1.00 0.00 O ATOM 1458 CB ILE A 97 -6.062 -13.912 1.272 1.00 0.00 C ATOM 1459 CG1 ILE A 97 -5.953 -12.915 0.117 1.00 0.00 C ATOM 1460 CG2 ILE A 97 -5.146 -15.121 1.074 1.00 0.00 C ATOM 1461 CD1 ILE A 97 -4.556 -12.291 0.062 1.00 0.00 C ATOM 0 H ILE A 97 -7.887 -12.303 1.713 1.00 0.00 H new ATOM 0 HA ILE A 97 -7.785 -14.910 0.585 1.00 0.00 H new ATOM 0 HB ILE A 97 -5.727 -13.399 2.173 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -6.167 -13.419 -0.825 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -6.701 -12.131 0.236 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -4.121 -14.781 0.928 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -5.193 -15.762 1.955 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -5.470 -15.683 0.198 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -4.505 -11.586 -0.768 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -4.355 -11.767 0.996 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -3.813 -13.075 -0.082 1.00 0.00 H new ATOM 1473 N LEU A 98 -7.796 -14.696 3.850 1.00 0.00 N ATOM 1474 CA LEU A 98 -7.979 -15.467 5.068 1.00 0.00 C ATOM 1475 C LEU A 98 -9.240 -16.324 4.938 1.00 0.00 C ATOM 1476 O LEU A 98 -9.201 -17.531 5.172 1.00 0.00 O ATOM 1477 CB LEU A 98 -7.984 -14.545 6.289 1.00 0.00 C ATOM 1478 CG LEU A 98 -6.660 -14.429 7.047 1.00 0.00 C ATOM 1479 CD1 LEU A 98 -6.123 -15.809 7.427 1.00 0.00 C ATOM 1480 CD2 LEU A 98 -5.640 -13.617 6.245 1.00 0.00 C ATOM 0 H LEU A 98 -7.747 -13.686 3.988 1.00 0.00 H new ATOM 0 HA LEU A 98 -7.143 -16.150 5.217 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -8.283 -13.548 5.966 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -8.747 -14.898 6.983 1.00 0.00 H new ATOM 0 HG LEU A 98 -6.844 -13.889 7.976 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -5.181 -15.698 7.965 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -6.846 -16.318 8.064 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -5.958 -16.396 6.524 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -4.708 -13.549 6.805 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -5.454 -14.108 5.290 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -6.031 -12.615 6.068 1.00 0.00 H new ATOM 1492 N GLU A 99 -10.329 -15.666 4.567 1.00 0.00 N ATOM 1493 CA GLU A 99 -11.599 -16.353 4.404 1.00 0.00 C ATOM 1494 C GLU A 99 -11.444 -17.534 3.444 1.00 0.00 C ATOM 1495 O GLU A 99 -12.053 -18.584 3.643 1.00 0.00 O ATOM 1496 CB GLU A 99 -12.684 -15.390 3.918 1.00 0.00 C ATOM 1497 CG GLU A 99 -13.960 -15.536 4.751 1.00 0.00 C ATOM 1498 CD GLU A 99 -15.086 -14.669 4.185 1.00 0.00 C ATOM 1499 OE1 GLU A 99 -14.780 -13.517 3.807 1.00 0.00 O ATOM 1500 OE2 GLU A 99 -16.227 -15.177 4.144 1.00 0.00 O ATOM 0 H GLU A 99 -10.358 -14.665 4.375 1.00 0.00 H new ATOM 0 HA GLU A 99 -11.909 -16.738 5.375 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -12.320 -14.365 3.981 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -12.906 -15.586 2.869 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -14.272 -16.580 4.765 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -13.759 -15.250 5.783 1.00 0.00 H new ATOM 1507 N LYS A 100 -10.627 -17.323 2.423 1.00 0.00 N ATOM 1508 CA LYS A 100 -10.384 -18.357 1.432 1.00 0.00 C ATOM 1509 C LYS A 100 -9.754 -19.573 2.114 1.00 0.00 C ATOM 1510 O LYS A 100 -10.401 -20.607 2.269 1.00 0.00 O ATOM 1511 CB LYS A 100 -9.555 -17.804 0.272 1.00 0.00 C ATOM 1512 CG LYS A 100 -10.424 -17.586 -0.969 1.00 0.00 C ATOM 1513 CD LYS A 100 -10.113 -16.239 -1.626 1.00 0.00 C ATOM 1514 CE LYS A 100 -8.892 -16.344 -2.541 1.00 0.00 C ATOM 1515 NZ LYS A 100 -8.793 -15.152 -3.413 1.00 0.00 N ATOM 0 H LYS A 100 -10.124 -16.450 2.261 1.00 0.00 H new ATOM 0 HA LYS A 100 -11.324 -18.690 0.991 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -9.093 -16.862 0.567 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -8.746 -18.495 0.037 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -10.253 -18.391 -1.683 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -11.477 -17.625 -0.691 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -10.976 -15.904 -2.202 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -9.932 -15.488 -0.857 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -7.987 -16.439 -1.940 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -8.964 -17.244 -3.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -8.020 -15.285 -4.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -9.689 -15.021 -3.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -8.600 -14.312 -2.832 1.00 0.00 H new ATOM 1529 N LEU A 101 -8.498 -19.409 2.503 1.00 0.00 N ATOM 1530 CA LEU A 101 -7.773 -20.480 3.164 1.00 0.00 C ATOM 1531 C LEU A 101 -8.704 -21.186 4.151 1.00 0.00 C ATOM 1532 O LEU A 101 -8.849 -22.407 4.109 1.00 0.00 O ATOM 1533 CB LEU A 101 -6.491 -19.944 3.804 1.00 0.00 C ATOM 1534 CG LEU A 101 -5.645 -20.964 4.569 1.00 0.00 C ATOM 1535 CD1 LEU A 101 -4.943 -21.925 3.607 1.00 0.00 C ATOM 1536 CD2 LEU A 101 -4.656 -20.266 5.504 1.00 0.00 C ATOM 0 H LEU A 101 -7.964 -18.550 2.373 1.00 0.00 H new ATOM 0 HA LEU A 101 -7.451 -21.227 2.438 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -5.874 -19.505 3.020 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -6.759 -19.139 4.488 1.00 0.00 H new ATOM 0 HG LEU A 101 -6.311 -21.561 5.193 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -4.348 -22.640 4.176 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -5.688 -22.460 3.019 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -4.291 -21.361 2.940 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -4.068 -21.014 6.035 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -3.991 -19.629 4.921 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -5.203 -19.657 6.223 1.00 0.00 H new ATOM 1548 N GLU A 102 -9.311 -20.388 5.018 1.00 0.00 N ATOM 1549 CA GLU A 102 -10.224 -20.922 6.014 1.00 0.00 C ATOM 1550 C GLU A 102 -11.060 -22.055 5.415 1.00 0.00 C ATOM 1551 O GLU A 102 -11.045 -23.176 5.921 1.00 0.00 O ATOM 1552 CB GLU A 102 -11.121 -19.820 6.582 1.00 0.00 C ATOM 1553 CG GLU A 102 -10.403 -19.046 7.690 1.00 0.00 C ATOM 1554 CD GLU A 102 -11.157 -17.760 8.036 1.00 0.00 C ATOM 1555 OE1 GLU A 102 -12.266 -17.886 8.599 1.00 0.00 O ATOM 1556 OE2 GLU A 102 -10.607 -16.680 7.731 1.00 0.00 O ATOM 0 H GLU A 102 -9.188 -19.376 5.051 1.00 0.00 H new ATOM 0 HA GLU A 102 -9.636 -21.327 6.837 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -11.412 -19.136 5.785 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -12.038 -20.259 6.975 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -10.316 -19.672 8.578 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -9.389 -18.803 7.371 1.00 0.00 H new ATOM 1563 N GLN A 103 -11.768 -21.723 4.346 1.00 0.00 N ATOM 1564 CA GLN A 103 -12.609 -22.699 3.673 1.00 0.00 C ATOM 1565 C GLN A 103 -11.751 -23.814 3.072 1.00 0.00 C ATOM 1566 O GLN A 103 -12.168 -24.970 3.030 1.00 0.00 O ATOM 1567 CB GLN A 103 -13.472 -22.032 2.601 1.00 0.00 C ATOM 1568 CG GLN A 103 -14.851 -21.668 3.155 1.00 0.00 C ATOM 1569 CD GLN A 103 -15.945 -22.519 2.507 1.00 0.00 C ATOM 1570 OE1 GLN A 103 -15.706 -23.294 1.595 1.00 0.00 O ATOM 1571 NE2 GLN A 103 -17.155 -22.331 3.026 1.00 0.00 N ATOM 0 H GLN A 103 -11.777 -20.792 3.929 1.00 0.00 H new ATOM 0 HA GLN A 103 -13.280 -23.141 4.409 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -12.974 -21.134 2.236 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -13.584 -22.703 1.750 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -14.863 -21.815 4.235 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -15.052 -20.612 2.975 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -17.285 -21.666 3.789 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -17.953 -22.851 2.661 1.00 0.00 H new ATOM 1580 N LYS A 104 -10.566 -23.427 2.620 1.00 0.00 N ATOM 1581 CA LYS A 104 -9.646 -24.379 2.023 1.00 0.00 C ATOM 1582 C LYS A 104 -9.294 -25.456 3.051 1.00 0.00 C ATOM 1583 O LYS A 104 -9.507 -26.643 2.810 1.00 0.00 O ATOM 1584 CB LYS A 104 -8.426 -23.657 1.447 1.00 0.00 C ATOM 1585 CG LYS A 104 -8.843 -22.641 0.381 1.00 0.00 C ATOM 1586 CD LYS A 104 -9.264 -23.345 -0.911 1.00 0.00 C ATOM 1587 CE LYS A 104 -8.043 -23.816 -1.702 1.00 0.00 C ATOM 1588 NZ LYS A 104 -8.463 -24.538 -2.924 1.00 0.00 N ATOM 0 H LYS A 104 -10.223 -22.467 2.656 1.00 0.00 H new ATOM 0 HA LYS A 104 -10.116 -24.884 1.179 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -7.888 -23.149 2.248 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -7.740 -24.384 1.013 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -9.668 -22.034 0.754 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -8.015 -21.962 0.177 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -9.899 -24.198 -0.674 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -9.858 -22.666 -1.522 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -7.425 -22.960 -1.973 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -7.429 -24.468 -1.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -7.621 -24.851 -3.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -9.033 -25.366 -2.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -9.030 -23.905 -3.524 1.00 0.00 H new ATOM 1602 N ALA A 105 -8.761 -25.003 4.176 1.00 0.00 N ATOM 1603 CA ALA A 105 -8.377 -25.913 5.242 1.00 0.00 C ATOM 1604 C ALA A 105 -9.601 -26.222 6.107 1.00 0.00 C ATOM 1605 O ALA A 105 -9.531 -26.154 7.334 1.00 0.00 O ATOM 1606 CB ALA A 105 -7.232 -25.299 6.050 1.00 0.00 C ATOM 0 H ALA A 105 -8.586 -24.018 4.373 1.00 0.00 H new ATOM 0 HA ALA A 105 -8.016 -26.856 4.831 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -6.944 -25.982 6.850 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -6.378 -25.125 5.396 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -7.558 -24.352 6.481 1.00 0.00 H new ATOM 1612 N SER A 106 -10.692 -26.556 5.435 1.00 0.00 N ATOM 1613 CA SER A 106 -11.929 -26.876 6.127 1.00 0.00 C ATOM 1614 C SER A 106 -12.526 -28.166 5.561 1.00 0.00 C ATOM 1615 O SER A 106 -13.628 -28.562 5.939 1.00 0.00 O ATOM 1616 CB SER A 106 -12.937 -25.731 6.012 1.00 0.00 C ATOM 1617 OG SER A 106 -13.070 -25.012 7.236 1.00 0.00 O ATOM 0 H SER A 106 -10.746 -26.612 4.418 1.00 0.00 H new ATOM 0 HA SER A 106 -11.702 -27.020 7.183 1.00 0.00 H new ATOM 0 HB2 SER A 106 -12.622 -25.048 5.223 1.00 0.00 H new ATOM 0 HB3 SER A 106 -13.908 -26.131 5.719 1.00 0.00 H new ATOM 0 HG SER A 106 -12.617 -24.146 7.158 1.00 0.00 H new