USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 553 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot -57:sc= 0.00961 USER MOD Single : A 33 HIS : no HD1:sc= -0.324 X(o=-0.32,f=-0.084) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= -0.508 USER MOD Single : A 46 SER OG : rot -71:sc= 1.23 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN : amide:sc= -9.56! C(o=-9.6!,f=-21!) USER MOD Single : A 63 ASN :FLIP amide:sc= 0 F(o=-0.56,f=0) USER MOD Single : A 65 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0118) USER MOD Single : A 66 SER OG : rot 0:sc= 0.36 USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.53 USER MOD Single : A 72 HIS : no HE2:sc= -0.765 K(o=-0.77,f=-4.2!) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot -150:sc= 0 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 81 N VAL A 9 6.940 -4.110 -7.183 1.00 0.00 N ATOM 82 CA VAL A 9 6.559 -2.786 -6.722 1.00 0.00 C ATOM 83 C VAL A 9 5.447 -2.239 -7.620 1.00 0.00 C ATOM 84 O VAL A 9 5.566 -2.260 -8.844 1.00 0.00 O ATOM 85 CB VAL A 9 7.788 -1.875 -6.672 1.00 0.00 C ATOM 86 CG1 VAL A 9 7.385 -0.427 -6.389 1.00 0.00 C ATOM 87 CG2 VAL A 9 8.798 -2.376 -5.638 1.00 0.00 C ATOM 0 HA VAL A 9 6.165 -2.834 -5.707 1.00 0.00 H new ATOM 0 HB VAL A 9 8.268 -1.903 -7.650 1.00 0.00 H new ATOM 0 HG11 VAL A 9 8.276 0.199 -6.359 1.00 0.00 H new ATOM 0 HG12 VAL A 9 6.720 -0.074 -7.177 1.00 0.00 H new ATOM 0 HG13 VAL A 9 6.871 -0.373 -5.429 1.00 0.00 H new ATOM 0 HG21 VAL A 9 9.662 -1.712 -5.622 1.00 0.00 H new ATOM 0 HG22 VAL A 9 8.333 -2.390 -4.652 1.00 0.00 H new ATOM 0 HG23 VAL A 9 9.120 -3.383 -5.902 1.00 0.00 H new ATOM 97 N ARG A 10 4.391 -1.764 -6.976 1.00 0.00 N ATOM 98 CA ARG A 10 3.258 -1.213 -7.701 1.00 0.00 C ATOM 99 C ARG A 10 3.398 0.305 -7.829 1.00 0.00 C ATOM 100 O ARG A 10 4.214 0.917 -7.143 1.00 0.00 O ATOM 101 CB ARG A 10 1.941 -1.539 -6.994 1.00 0.00 C ATOM 102 CG ARG A 10 1.943 -1.010 -5.559 1.00 0.00 C ATOM 103 CD ARG A 10 1.733 -2.146 -4.555 1.00 0.00 C ATOM 104 NE ARG A 10 0.329 -2.154 -4.087 1.00 0.00 N ATOM 105 CZ ARG A 10 -0.640 -2.903 -4.631 1.00 0.00 C ATOM 106 NH1 ARG A 10 -0.364 -3.708 -5.665 1.00 0.00 N ATOM 107 NH2 ARG A 10 -1.886 -2.846 -4.140 1.00 0.00 N ATOM 0 H ARG A 10 4.296 -1.749 -5.961 1.00 0.00 H new ATOM 0 HA ARG A 10 3.247 -1.665 -8.693 1.00 0.00 H new ATOM 0 HB2 ARG A 10 1.110 -1.100 -7.546 1.00 0.00 H new ATOM 0 HB3 ARG A 10 1.785 -2.618 -6.987 1.00 0.00 H new ATOM 0 HG2 ARG A 10 2.889 -0.509 -5.354 1.00 0.00 H new ATOM 0 HG3 ARG A 10 1.156 -0.266 -5.441 1.00 0.00 H new ATOM 0 HD2 ARG A 10 1.976 -3.102 -5.019 1.00 0.00 H new ATOM 0 HD3 ARG A 10 2.407 -2.023 -3.707 1.00 0.00 H new ATOM 0 HE ARG A 10 0.084 -1.552 -3.301 1.00 0.00 H new ATOM 0 HH11 ARG A 10 0.584 -3.751 -6.039 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -1.102 -4.278 -6.079 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -2.096 -2.233 -3.353 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -2.624 -3.416 -4.554 1.00 0.00 H new ATOM 121 N LEU A 11 2.588 0.869 -8.713 1.00 0.00 N ATOM 122 CA LEU A 11 2.611 2.304 -8.941 1.00 0.00 C ATOM 123 C LEU A 11 1.219 2.880 -8.676 1.00 0.00 C ATOM 124 O LEU A 11 0.303 2.693 -9.477 1.00 0.00 O ATOM 125 CB LEU A 11 3.151 2.617 -10.338 1.00 0.00 C ATOM 126 CG LEU A 11 4.568 2.121 -10.635 1.00 0.00 C ATOM 127 CD1 LEU A 11 5.000 2.514 -12.049 1.00 0.00 C ATOM 128 CD2 LEU A 11 5.555 2.614 -9.576 1.00 0.00 C ATOM 0 H LEU A 11 1.911 0.358 -9.280 1.00 0.00 H new ATOM 0 HA LEU A 11 3.295 2.789 -8.245 1.00 0.00 H new ATOM 0 HB2 LEU A 11 2.474 2.183 -11.074 1.00 0.00 H new ATOM 0 HB3 LEU A 11 3.128 3.697 -10.481 1.00 0.00 H new ATOM 0 HG LEU A 11 4.566 1.032 -10.590 1.00 0.00 H new ATOM 0 HD11 LEU A 11 6.010 2.150 -12.235 1.00 0.00 H new ATOM 0 HD12 LEU A 11 4.316 2.073 -12.774 1.00 0.00 H new ATOM 0 HD13 LEU A 11 4.982 3.599 -12.147 1.00 0.00 H new ATOM 0 HD21 LEU A 11 6.554 2.247 -9.811 1.00 0.00 H new ATOM 0 HD22 LEU A 11 5.562 3.704 -9.564 1.00 0.00 H new ATOM 0 HD23 LEU A 11 5.253 2.243 -8.597 1.00 0.00 H new ATOM 140 N VAL A 12 1.102 3.570 -7.551 1.00 0.00 N ATOM 141 CA VAL A 12 -0.163 4.174 -7.171 1.00 0.00 C ATOM 142 C VAL A 12 -0.150 5.656 -7.552 1.00 0.00 C ATOM 143 O VAL A 12 0.883 6.316 -7.457 1.00 0.00 O ATOM 144 CB VAL A 12 -0.428 3.942 -5.682 1.00 0.00 C ATOM 145 CG1 VAL A 12 -1.660 4.721 -5.217 1.00 0.00 C ATOM 146 CG2 VAL A 12 -0.576 2.450 -5.377 1.00 0.00 C ATOM 0 H VAL A 12 1.863 3.724 -6.890 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.987 3.706 -7.710 1.00 0.00 H new ATOM 0 HB VAL A 12 0.433 4.314 -5.127 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.826 4.539 -4.155 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.500 5.787 -5.382 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.532 4.393 -5.782 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.764 2.313 -4.312 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -1.411 2.043 -5.948 1.00 0.00 H new ATOM 0 HG23 VAL A 12 0.341 1.929 -5.654 1.00 0.00 H new ATOM 156 N SER A 13 -1.311 6.135 -7.977 1.00 0.00 N ATOM 157 CA SER A 13 -1.446 7.527 -8.372 1.00 0.00 C ATOM 158 C SER A 13 -2.629 8.166 -7.643 1.00 0.00 C ATOM 159 O SER A 13 -3.750 7.664 -7.712 1.00 0.00 O ATOM 160 CB SER A 13 -1.624 7.654 -9.887 1.00 0.00 C ATOM 161 OG SER A 13 -2.016 8.969 -10.270 1.00 0.00 O ATOM 0 H SER A 13 -2.166 5.584 -8.056 1.00 0.00 H new ATOM 0 HA SER A 13 -0.532 8.052 -8.095 1.00 0.00 H new ATOM 0 HB2 SER A 13 -0.690 7.395 -10.385 1.00 0.00 H new ATOM 0 HB3 SER A 13 -2.374 6.939 -10.225 1.00 0.00 H new ATOM 0 HG SER A 13 -2.118 9.009 -11.244 1.00 0.00 H new ATOM 167 N LEU A 14 -2.339 9.264 -6.961 1.00 0.00 N ATOM 168 CA LEU A 14 -3.365 9.977 -6.219 1.00 0.00 C ATOM 169 C LEU A 14 -3.440 11.420 -6.721 1.00 0.00 C ATOM 170 O LEU A 14 -2.462 11.951 -7.245 1.00 0.00 O ATOM 171 CB LEU A 14 -3.116 9.862 -4.714 1.00 0.00 C ATOM 172 CG LEU A 14 -3.611 8.576 -4.049 1.00 0.00 C ATOM 173 CD1 LEU A 14 -5.109 8.377 -4.287 1.00 0.00 C ATOM 174 CD2 LEU A 14 -2.791 7.369 -4.511 1.00 0.00 C ATOM 0 H LEU A 14 -1.408 9.678 -6.907 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.343 9.527 -6.392 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.044 9.951 -4.535 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.593 10.709 -4.221 1.00 0.00 H new ATOM 0 HG LEU A 14 -3.466 8.670 -2.973 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -5.435 7.456 -3.804 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -5.659 9.220 -3.869 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -5.302 8.313 -5.358 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.163 6.468 -4.023 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.881 7.260 -5.592 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.744 7.518 -4.247 1.00 0.00 H new ATOM 315 N LEU A 23 -3.224 12.606 -0.191 1.00 0.00 N ATOM 316 CA LEU A 23 -3.457 11.767 -1.354 1.00 0.00 C ATOM 317 C LEU A 23 -4.544 10.741 -1.028 1.00 0.00 C ATOM 318 O LEU A 23 -4.903 9.922 -1.873 1.00 0.00 O ATOM 319 CB LEU A 23 -2.145 11.142 -1.835 1.00 0.00 C ATOM 320 CG LEU A 23 -0.862 11.813 -1.341 1.00 0.00 C ATOM 321 CD1 LEU A 23 0.362 10.949 -1.650 1.00 0.00 C ATOM 322 CD2 LEU A 23 -0.726 13.225 -1.913 1.00 0.00 C ATOM 0 HA LEU A 23 -3.823 12.365 -2.188 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -2.128 10.097 -1.524 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.140 11.151 -2.925 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.923 11.910 -0.257 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.261 11.449 -1.289 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.260 9.983 -1.155 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.439 10.799 -2.727 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.194 13.679 -1.546 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.697 13.175 -3.001 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.578 13.828 -1.600 1.00 0.00 H new ATOM 334 N GLY A 24 -5.038 10.819 0.198 1.00 0.00 N ATOM 335 CA GLY A 24 -6.077 9.908 0.646 1.00 0.00 C ATOM 336 C GLY A 24 -5.536 8.931 1.693 1.00 0.00 C ATOM 337 O GLY A 24 -6.287 8.436 2.532 1.00 0.00 O ATOM 0 H GLY A 24 -4.738 11.500 0.896 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -6.906 10.476 1.068 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -6.471 9.353 -0.205 1.00 0.00 H new ATOM 341 N PHE A 25 -4.237 8.684 1.610 1.00 0.00 N ATOM 342 CA PHE A 25 -3.587 7.777 2.540 1.00 0.00 C ATOM 343 C PHE A 25 -2.531 8.507 3.372 1.00 0.00 C ATOM 344 O PHE A 25 -1.708 9.242 2.829 1.00 0.00 O ATOM 345 CB PHE A 25 -2.901 6.695 1.703 1.00 0.00 C ATOM 346 CG PHE A 25 -1.620 7.163 1.010 1.00 0.00 C ATOM 347 CD1 PHE A 25 -1.684 7.742 -0.219 1.00 0.00 C ATOM 348 CD2 PHE A 25 -0.417 7.000 1.623 1.00 0.00 C ATOM 349 CE1 PHE A 25 -0.495 8.177 -0.862 1.00 0.00 C ATOM 350 CE2 PHE A 25 0.772 7.435 0.980 1.00 0.00 C ATOM 351 CZ PHE A 25 0.708 8.014 -0.249 1.00 0.00 C ATOM 0 H PHE A 25 -3.617 9.096 0.913 1.00 0.00 H new ATOM 0 HA PHE A 25 -4.323 7.357 3.225 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -2.665 5.848 2.347 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -3.600 6.337 0.948 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -2.639 7.871 -0.706 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -0.366 6.540 2.599 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -0.546 8.637 -1.838 1.00 0.00 H new ATOM 0 HE2 PHE A 25 1.727 7.306 1.467 1.00 0.00 H new ATOM 0 HZ PHE A 25 1.612 8.344 -0.738 1.00 0.00 H new ATOM 361 N SER A 26 -2.589 8.279 4.675 1.00 0.00 N ATOM 362 CA SER A 26 -1.648 8.907 5.588 1.00 0.00 C ATOM 363 C SER A 26 -0.418 8.015 5.765 1.00 0.00 C ATOM 364 O SER A 26 -0.535 6.791 5.809 1.00 0.00 O ATOM 365 CB SER A 26 -2.300 9.188 6.943 1.00 0.00 C ATOM 366 OG SER A 26 -2.573 10.575 7.126 1.00 0.00 O ATOM 0 H SER A 26 -3.273 7.668 5.121 1.00 0.00 H new ATOM 0 HA SER A 26 -1.339 9.861 5.160 1.00 0.00 H new ATOM 0 HB2 SER A 26 -3.228 8.622 7.023 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.644 8.839 7.740 1.00 0.00 H new ATOM 0 HG SER A 26 -2.990 10.713 8.002 1.00 0.00 H new ATOM 372 N ILE A 27 0.734 8.662 5.863 1.00 0.00 N ATOM 373 CA ILE A 27 1.984 7.943 6.035 1.00 0.00 C ATOM 374 C ILE A 27 2.448 8.075 7.487 1.00 0.00 C ATOM 375 O ILE A 27 1.963 8.933 8.222 1.00 0.00 O ATOM 376 CB ILE A 27 3.020 8.418 5.014 1.00 0.00 C ATOM 377 CG1 ILE A 27 3.395 9.882 5.253 1.00 0.00 C ATOM 378 CG2 ILE A 27 2.531 8.178 3.584 1.00 0.00 C ATOM 379 CD1 ILE A 27 4.845 10.151 4.845 1.00 0.00 C ATOM 0 H ILE A 27 0.828 9.677 5.826 1.00 0.00 H new ATOM 0 HA ILE A 27 1.841 6.880 5.840 1.00 0.00 H new ATOM 0 HB ILE A 27 3.926 7.828 5.148 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.728 10.529 4.684 1.00 0.00 H new ATOM 0 HG13 ILE A 27 3.258 10.129 6.306 1.00 0.00 H new ATOM 0 HG21 ILE A 27 3.286 8.525 2.878 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.355 7.113 3.434 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.603 8.725 3.420 1.00 0.00 H new ATOM 0 HD11 ILE A 27 5.085 11.199 5.025 1.00 0.00 H new ATOM 0 HD12 ILE A 27 5.511 9.520 5.433 1.00 0.00 H new ATOM 0 HD13 ILE A 27 4.973 9.926 3.786 1.00 0.00 H new ATOM 391 N ARG A 28 3.381 7.210 7.857 1.00 0.00 N ATOM 392 CA ARG A 28 3.916 7.219 9.208 1.00 0.00 C ATOM 393 C ARG A 28 5.352 6.691 9.215 1.00 0.00 C ATOM 394 O ARG A 28 5.788 6.057 8.255 1.00 0.00 O ATOM 395 CB ARG A 28 3.061 6.362 10.144 1.00 0.00 C ATOM 396 CG ARG A 28 3.062 4.898 9.702 1.00 0.00 C ATOM 397 CD ARG A 28 3.013 3.960 10.909 1.00 0.00 C ATOM 398 NE ARG A 28 3.433 2.598 10.510 1.00 0.00 N ATOM 399 CZ ARG A 28 3.360 1.525 11.309 1.00 0.00 C ATOM 400 NH1 ARG A 28 2.882 1.648 12.555 1.00 0.00 N ATOM 401 NH2 ARG A 28 3.765 0.328 10.863 1.00 0.00 N ATOM 0 H ARG A 28 3.780 6.498 7.245 1.00 0.00 H new ATOM 0 HA ARG A 28 3.903 8.250 9.563 1.00 0.00 H new ATOM 0 HB2 ARG A 28 3.442 6.438 11.162 1.00 0.00 H new ATOM 0 HB3 ARG A 28 2.039 6.741 10.157 1.00 0.00 H new ATOM 0 HG2 ARG A 28 2.205 4.709 9.055 1.00 0.00 H new ATOM 0 HG3 ARG A 28 3.956 4.693 9.114 1.00 0.00 H new ATOM 0 HD2 ARG A 28 3.666 4.334 11.697 1.00 0.00 H new ATOM 0 HD3 ARG A 28 2.003 3.933 11.318 1.00 0.00 H new ATOM 0 HE ARG A 28 3.801 2.468 9.568 1.00 0.00 H new ATOM 0 HH11 ARG A 28 2.574 2.559 12.895 1.00 0.00 H new ATOM 0 HH12 ARG A 28 2.827 0.831 13.163 1.00 0.00 H new ATOM 0 HH21 ARG A 28 4.129 0.234 9.915 1.00 0.00 H new ATOM 0 HH22 ARG A 28 3.709 -0.489 11.472 1.00 0.00 H new ATOM 415 N GLY A 29 6.047 6.972 10.307 1.00 0.00 N ATOM 416 CA GLY A 29 7.425 6.533 10.451 1.00 0.00 C ATOM 417 C GLY A 29 8.398 7.669 10.130 1.00 0.00 C ATOM 418 O GLY A 29 8.218 8.795 10.593 1.00 0.00 O ATOM 0 H GLY A 29 5.682 7.498 11.101 1.00 0.00 H new ATOM 0 HA2 GLY A 29 7.594 6.181 11.469 1.00 0.00 H new ATOM 0 HA3 GLY A 29 7.613 5.689 9.787 1.00 0.00 H new ATOM 422 N GLY A 30 9.408 7.335 9.341 1.00 0.00 N ATOM 423 CA GLY A 30 10.410 8.313 8.953 1.00 0.00 C ATOM 424 C GLY A 30 11.771 7.978 9.568 1.00 0.00 C ATOM 425 O GLY A 30 11.856 7.170 10.492 1.00 0.00 O ATOM 0 H GLY A 30 9.554 6.400 8.960 1.00 0.00 H new ATOM 0 HA2 GLY A 30 10.495 8.341 7.867 1.00 0.00 H new ATOM 0 HA3 GLY A 30 10.097 9.307 9.274 1.00 0.00 H new ATOM 429 N SER A 31 12.800 8.615 9.031 1.00 0.00 N ATOM 430 CA SER A 31 14.153 8.394 9.515 1.00 0.00 C ATOM 431 C SER A 31 14.367 9.146 10.830 1.00 0.00 C ATOM 432 O SER A 31 15.290 9.950 10.946 1.00 0.00 O ATOM 433 CB SER A 31 15.188 8.834 8.478 1.00 0.00 C ATOM 434 OG SER A 31 16.490 8.342 8.782 1.00 0.00 O ATOM 0 H SER A 31 12.725 9.285 8.265 1.00 0.00 H new ATOM 0 HA SER A 31 14.284 7.326 9.688 1.00 0.00 H new ATOM 0 HB2 SER A 31 14.887 8.479 7.492 1.00 0.00 H new ATOM 0 HB3 SER A 31 15.214 9.923 8.431 1.00 0.00 H new ATOM 0 HG SER A 31 16.751 8.640 9.678 1.00 0.00 H new ATOM 440 N GLU A 32 13.497 8.858 11.788 1.00 0.00 N ATOM 441 CA GLU A 32 13.580 9.497 13.090 1.00 0.00 C ATOM 442 C GLU A 32 13.569 8.444 14.200 1.00 0.00 C ATOM 443 O GLU A 32 14.338 8.535 15.155 1.00 0.00 O ATOM 444 CB GLU A 32 12.444 10.504 13.279 1.00 0.00 C ATOM 445 CG GLU A 32 12.245 10.835 14.760 1.00 0.00 C ATOM 446 CD GLU A 32 11.574 12.199 14.932 1.00 0.00 C ATOM 447 OE1 GLU A 32 11.935 13.111 14.157 1.00 0.00 O ATOM 448 OE2 GLU A 32 10.714 12.299 15.834 1.00 0.00 O ATOM 0 H GLU A 32 12.732 8.191 11.688 1.00 0.00 H new ATOM 0 HA GLU A 32 14.521 10.045 13.145 1.00 0.00 H new ATOM 0 HB2 GLU A 32 12.666 11.416 12.725 1.00 0.00 H new ATOM 0 HB3 GLU A 32 11.521 10.098 12.866 1.00 0.00 H new ATOM 0 HG2 GLU A 32 11.635 10.064 15.230 1.00 0.00 H new ATOM 0 HG3 GLU A 32 13.209 10.833 15.269 1.00 0.00 H new ATOM 455 N HIS A 33 12.688 7.467 14.036 1.00 0.00 N ATOM 456 CA HIS A 33 12.567 6.398 15.012 1.00 0.00 C ATOM 457 C HIS A 33 13.459 5.225 14.602 1.00 0.00 C ATOM 458 O HIS A 33 13.760 4.354 15.417 1.00 0.00 O ATOM 459 CB HIS A 33 11.103 5.993 15.196 1.00 0.00 C ATOM 460 CG HIS A 33 10.523 6.375 16.537 1.00 0.00 C ATOM 461 ND1 HIS A 33 9.498 5.668 17.140 1.00 0.00 N ATOM 462 CD2 HIS A 33 10.837 7.396 17.385 1.00 0.00 C ATOM 463 CE1 HIS A 33 9.214 6.247 18.297 1.00 0.00 C ATOM 464 NE2 HIS A 33 10.045 7.318 18.447 1.00 0.00 N ATOM 0 H HIS A 33 12.052 7.394 13.242 1.00 0.00 H new ATOM 0 HA HIS A 33 12.912 6.749 15.985 1.00 0.00 H new ATOM 0 HB2 HIS A 33 10.507 6.456 14.409 1.00 0.00 H new ATOM 0 HB3 HIS A 33 11.017 4.914 15.069 1.00 0.00 H new ATOM 0 HD2 HIS A 33 11.601 8.142 17.220 1.00 0.00 H new ATOM 0 HE1 HIS A 33 8.457 5.927 18.998 1.00 0.00 H new ATOM 0 HE2 HIS A 33 10.056 7.954 19.244 1.00 0.00 H new ATOM 472 N GLY A 34 13.857 5.239 13.338 1.00 0.00 N ATOM 473 CA GLY A 34 14.709 4.188 12.809 1.00 0.00 C ATOM 474 C GLY A 34 13.919 3.251 11.893 1.00 0.00 C ATOM 475 O GLY A 34 14.102 2.036 11.935 1.00 0.00 O ATOM 0 H GLY A 34 13.605 5.962 12.665 1.00 0.00 H new ATOM 0 HA2 GLY A 34 15.537 4.630 12.256 1.00 0.00 H new ATOM 0 HA3 GLY A 34 15.143 3.618 13.631 1.00 0.00 H new ATOM 479 N VAL A 35 13.058 3.853 11.086 1.00 0.00 N ATOM 480 CA VAL A 35 12.239 3.088 10.160 1.00 0.00 C ATOM 481 C VAL A 35 12.356 3.695 8.761 1.00 0.00 C ATOM 482 O VAL A 35 13.429 4.149 8.365 1.00 0.00 O ATOM 483 CB VAL A 35 10.797 3.025 10.666 1.00 0.00 C ATOM 484 CG1 VAL A 35 10.745 2.531 12.113 1.00 0.00 C ATOM 485 CG2 VAL A 35 10.107 4.384 10.525 1.00 0.00 C ATOM 0 H VAL A 35 12.909 4.862 11.054 1.00 0.00 H new ATOM 0 HA VAL A 35 12.593 2.059 10.098 1.00 0.00 H new ATOM 0 HB VAL A 35 10.256 2.309 10.048 1.00 0.00 H new ATOM 0 HG11 VAL A 35 9.708 2.496 12.448 1.00 0.00 H new ATOM 0 HG12 VAL A 35 11.180 1.533 12.173 1.00 0.00 H new ATOM 0 HG13 VAL A 35 11.309 3.212 12.750 1.00 0.00 H new ATOM 0 HG21 VAL A 35 9.083 4.312 10.892 1.00 0.00 H new ATOM 0 HG22 VAL A 35 10.649 5.129 11.107 1.00 0.00 H new ATOM 0 HG23 VAL A 35 10.097 4.680 9.476 1.00 0.00 H new ATOM 495 N GLY A 36 11.238 3.685 8.051 1.00 0.00 N ATOM 496 CA GLY A 36 11.201 4.229 6.704 1.00 0.00 C ATOM 497 C GLY A 36 9.918 5.029 6.471 1.00 0.00 C ATOM 498 O GLY A 36 9.618 5.959 7.218 1.00 0.00 O ATOM 0 H GLY A 36 10.350 3.309 8.383 1.00 0.00 H new ATOM 0 HA2 GLY A 36 12.068 4.870 6.543 1.00 0.00 H new ATOM 0 HA3 GLY A 36 11.265 3.418 5.979 1.00 0.00 H new ATOM 502 N ILE A 37 9.197 4.639 5.430 1.00 0.00 N ATOM 503 CA ILE A 37 7.953 5.309 5.089 1.00 0.00 C ATOM 504 C ILE A 37 6.869 4.261 4.828 1.00 0.00 C ATOM 505 O ILE A 37 6.831 3.656 3.758 1.00 0.00 O ATOM 506 CB ILE A 37 8.167 6.275 3.922 1.00 0.00 C ATOM 507 CG1 ILE A 37 9.357 7.200 4.188 1.00 0.00 C ATOM 508 CG2 ILE A 37 6.889 7.059 3.618 1.00 0.00 C ATOM 509 CD1 ILE A 37 8.965 8.343 5.126 1.00 0.00 C ATOM 0 H ILE A 37 9.450 3.868 4.812 1.00 0.00 H new ATOM 0 HA ILE A 37 7.610 5.923 5.922 1.00 0.00 H new ATOM 0 HB ILE A 37 8.405 5.690 3.033 1.00 0.00 H new ATOM 0 HG12 ILE A 37 10.175 6.629 4.627 1.00 0.00 H new ATOM 0 HG13 ILE A 37 9.723 7.608 3.246 1.00 0.00 H new ATOM 0 HG21 ILE A 37 7.068 7.738 2.785 1.00 0.00 H new ATOM 0 HG22 ILE A 37 6.090 6.365 3.355 1.00 0.00 H new ATOM 0 HG23 ILE A 37 6.596 7.633 4.497 1.00 0.00 H new ATOM 0 HD11 ILE A 37 9.829 8.985 5.298 1.00 0.00 H new ATOM 0 HD12 ILE A 37 8.164 8.927 4.673 1.00 0.00 H new ATOM 0 HD13 ILE A 37 8.623 7.933 6.076 1.00 0.00 H new ATOM 521 N TYR A 38 6.015 4.079 5.825 1.00 0.00 N ATOM 522 CA TYR A 38 4.934 3.114 5.717 1.00 0.00 C ATOM 523 C TYR A 38 3.574 3.795 5.884 1.00 0.00 C ATOM 524 O TYR A 38 3.464 4.812 6.566 1.00 0.00 O ATOM 525 CB TYR A 38 5.138 2.121 6.862 1.00 0.00 C ATOM 526 CG TYR A 38 6.471 1.371 6.806 1.00 0.00 C ATOM 527 CD1 TYR A 38 6.574 0.202 6.080 1.00 0.00 C ATOM 528 CD2 TYR A 38 7.569 1.864 7.481 1.00 0.00 C ATOM 529 CE1 TYR A 38 7.828 -0.503 6.026 1.00 0.00 C ATOM 530 CE2 TYR A 38 8.823 1.158 7.427 1.00 0.00 C ATOM 531 CZ TYR A 38 8.891 0.010 6.703 1.00 0.00 C ATOM 532 OH TYR A 38 10.075 -0.657 6.652 1.00 0.00 O ATOM 0 H TYR A 38 6.050 4.583 6.711 1.00 0.00 H new ATOM 0 HA TYR A 38 4.946 2.632 4.740 1.00 0.00 H new ATOM 0 HB2 TYR A 38 5.074 2.656 7.809 1.00 0.00 H new ATOM 0 HB3 TYR A 38 4.324 1.396 6.850 1.00 0.00 H new ATOM 0 HD1 TYR A 38 5.714 -0.184 5.553 1.00 0.00 H new ATOM 0 HD2 TYR A 38 7.488 2.779 8.049 1.00 0.00 H new ATOM 0 HE1 TYR A 38 7.923 -1.418 5.461 1.00 0.00 H new ATOM 0 HE2 TYR A 38 9.690 1.533 7.950 1.00 0.00 H new ATOM 0 HH TYR A 38 10.745 -0.175 7.180 1.00 0.00 H new ATOM 542 N VAL A 39 2.571 3.205 5.249 1.00 0.00 N ATOM 543 CA VAL A 39 1.222 3.742 5.319 1.00 0.00 C ATOM 544 C VAL A 39 0.714 3.645 6.759 1.00 0.00 C ATOM 545 O VAL A 39 1.071 2.719 7.486 1.00 0.00 O ATOM 546 CB VAL A 39 0.320 3.021 4.316 1.00 0.00 C ATOM 547 CG1 VAL A 39 -1.049 3.698 4.225 1.00 0.00 C ATOM 548 CG2 VAL A 39 0.984 2.940 2.941 1.00 0.00 C ATOM 0 H VAL A 39 2.666 2.361 4.684 1.00 0.00 H new ATOM 0 HA VAL A 39 1.215 4.796 5.042 1.00 0.00 H new ATOM 0 HB VAL A 39 0.167 2.003 4.674 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.671 3.166 3.505 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.530 3.680 5.203 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -0.923 4.731 3.902 1.00 0.00 H new ATOM 0 HG21 VAL A 39 0.322 2.423 2.247 1.00 0.00 H new ATOM 0 HG22 VAL A 39 1.181 3.947 2.572 1.00 0.00 H new ATOM 0 HG23 VAL A 39 1.923 2.393 3.022 1.00 0.00 H new ATOM 558 N SER A 40 -0.113 4.613 7.127 1.00 0.00 N ATOM 559 CA SER A 40 -0.674 4.648 8.467 1.00 0.00 C ATOM 560 C SER A 40 -2.196 4.503 8.401 1.00 0.00 C ATOM 561 O SER A 40 -2.796 3.832 9.238 1.00 0.00 O ATOM 562 CB SER A 40 -0.295 5.943 9.189 1.00 0.00 C ATOM 563 OG SER A 40 -1.301 6.943 9.055 1.00 0.00 O ATOM 0 H SER A 40 -0.408 5.378 6.521 1.00 0.00 H new ATOM 0 HA SER A 40 -0.260 3.814 9.033 1.00 0.00 H new ATOM 0 HB2 SER A 40 -0.130 5.734 10.246 1.00 0.00 H new ATOM 0 HB3 SER A 40 0.646 6.319 8.788 1.00 0.00 H new ATOM 0 HG SER A 40 -1.022 7.753 9.531 1.00 0.00 H new ATOM 569 N LEU A 41 -2.776 5.145 7.397 1.00 0.00 N ATOM 570 CA LEU A 41 -4.216 5.096 7.210 1.00 0.00 C ATOM 571 C LEU A 41 -4.534 5.134 5.714 1.00 0.00 C ATOM 572 O LEU A 41 -3.855 5.818 4.949 1.00 0.00 O ATOM 573 CB LEU A 41 -4.898 6.206 8.013 1.00 0.00 C ATOM 574 CG LEU A 41 -6.390 6.410 7.741 1.00 0.00 C ATOM 575 CD1 LEU A 41 -6.622 6.938 6.323 1.00 0.00 C ATOM 576 CD2 LEU A 41 -7.177 5.126 8.010 1.00 0.00 C ATOM 0 H LEU A 41 -2.275 5.702 6.705 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.619 4.160 7.597 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -4.768 5.992 9.074 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.380 7.144 7.811 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.763 7.167 8.431 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -7.690 7.074 6.156 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -6.111 7.893 6.202 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.230 6.223 5.600 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -8.234 5.298 7.809 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.809 4.331 7.361 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -7.049 4.832 9.052 1.00 0.00 H new ATOM 588 N VAL A 42 -5.566 4.392 5.341 1.00 0.00 N ATOM 589 CA VAL A 42 -5.982 4.333 3.950 1.00 0.00 C ATOM 590 C VAL A 42 -7.507 4.423 3.875 1.00 0.00 C ATOM 591 O VAL A 42 -8.211 3.569 4.413 1.00 0.00 O ATOM 592 CB VAL A 42 -5.424 3.070 3.291 1.00 0.00 C ATOM 593 CG1 VAL A 42 -6.320 2.612 2.138 1.00 0.00 C ATOM 594 CG2 VAL A 42 -3.987 3.290 2.814 1.00 0.00 C ATOM 0 H VAL A 42 -6.127 3.826 5.978 1.00 0.00 H new ATOM 0 HA VAL A 42 -5.579 5.179 3.394 1.00 0.00 H new ATOM 0 HB VAL A 42 -5.411 2.279 4.040 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -5.901 1.713 1.687 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -7.319 2.396 2.517 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -6.379 3.401 1.388 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -3.614 2.377 2.349 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -3.965 4.102 2.087 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -3.357 3.548 3.665 1.00 0.00 H new ATOM 604 N GLU A 43 -7.974 5.464 3.202 1.00 0.00 N ATOM 605 CA GLU A 43 -9.404 5.677 3.048 1.00 0.00 C ATOM 606 C GLU A 43 -10.013 4.576 2.178 1.00 0.00 C ATOM 607 O GLU A 43 -9.520 4.298 1.086 1.00 0.00 O ATOM 608 CB GLU A 43 -9.693 7.061 2.464 1.00 0.00 C ATOM 609 CG GLU A 43 -9.842 8.104 3.573 1.00 0.00 C ATOM 610 CD GLU A 43 -8.904 9.290 3.339 1.00 0.00 C ATOM 611 OE1 GLU A 43 -8.908 9.800 2.198 1.00 0.00 O ATOM 612 OE2 GLU A 43 -8.205 9.660 4.307 1.00 0.00 O ATOM 0 H GLU A 43 -7.388 6.170 2.757 1.00 0.00 H new ATOM 0 HA GLU A 43 -9.867 5.632 4.034 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -8.885 7.352 1.792 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -10.605 7.025 1.869 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -10.874 8.454 3.612 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -9.623 7.648 4.538 1.00 0.00 H new ATOM 619 N PRO A 44 -11.106 3.963 2.709 1.00 0.00 N ATOM 620 CA PRO A 44 -11.788 2.898 1.993 1.00 0.00 C ATOM 621 C PRO A 44 -12.621 3.460 0.839 1.00 0.00 C ATOM 622 O PRO A 44 -12.963 2.736 -0.095 1.00 0.00 O ATOM 623 CB PRO A 44 -12.629 2.193 3.044 1.00 0.00 C ATOM 624 CG PRO A 44 -12.748 3.168 4.205 1.00 0.00 C ATOM 625 CD PRO A 44 -11.717 4.266 3.999 1.00 0.00 C ATOM 0 HA PRO A 44 -11.098 2.199 1.520 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -13.611 1.934 2.649 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -12.158 1.263 3.362 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -13.752 3.590 4.248 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -12.577 2.656 5.152 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -12.183 5.251 3.995 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -10.975 4.268 4.798 1.00 0.00 H new ATOM 633 N GLY A 45 -12.922 4.746 0.940 1.00 0.00 N ATOM 634 CA GLY A 45 -13.708 5.414 -0.084 1.00 0.00 C ATOM 635 C GLY A 45 -12.851 6.406 -0.873 1.00 0.00 C ATOM 636 O GLY A 45 -13.346 7.439 -1.322 1.00 0.00 O ATOM 0 H GLY A 45 -12.636 5.344 1.715 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -14.132 4.674 -0.763 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -14.544 5.938 0.379 1.00 0.00 H new ATOM 640 N SER A 46 -11.581 6.058 -1.017 1.00 0.00 N ATOM 641 CA SER A 46 -10.651 6.905 -1.744 1.00 0.00 C ATOM 642 C SER A 46 -10.125 6.168 -2.977 1.00 0.00 C ATOM 643 O SER A 46 -10.519 5.032 -3.240 1.00 0.00 O ATOM 644 CB SER A 46 -9.489 7.342 -0.850 1.00 0.00 C ATOM 645 OG SER A 46 -8.584 6.272 -0.591 1.00 0.00 O ATOM 0 H SER A 46 -11.174 5.201 -0.643 1.00 0.00 H new ATOM 0 HA SER A 46 -11.183 7.800 -2.064 1.00 0.00 H new ATOM 0 HB2 SER A 46 -8.953 8.163 -1.327 1.00 0.00 H new ATOM 0 HB3 SER A 46 -9.880 7.722 0.093 1.00 0.00 H new ATOM 0 HG SER A 46 -9.006 5.626 0.013 1.00 0.00 H new ATOM 651 N LEU A 47 -9.242 6.842 -3.699 1.00 0.00 N ATOM 652 CA LEU A 47 -8.657 6.265 -4.897 1.00 0.00 C ATOM 653 C LEU A 47 -7.521 5.320 -4.501 1.00 0.00 C ATOM 654 O LEU A 47 -7.438 4.199 -5.001 1.00 0.00 O ATOM 655 CB LEU A 47 -8.230 7.366 -5.869 1.00 0.00 C ATOM 656 CG LEU A 47 -7.574 6.896 -7.169 1.00 0.00 C ATOM 657 CD1 LEU A 47 -8.220 5.605 -7.674 1.00 0.00 C ATOM 658 CD2 LEU A 47 -7.599 8.002 -8.227 1.00 0.00 C ATOM 0 H LEU A 47 -8.917 7.783 -3.477 1.00 0.00 H new ATOM 0 HA LEU A 47 -9.396 5.669 -5.432 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -9.108 7.960 -6.123 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -7.535 8.029 -5.354 1.00 0.00 H new ATOM 0 HG LEU A 47 -6.528 6.672 -6.962 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -7.735 5.293 -8.599 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -8.106 4.823 -6.923 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -9.280 5.777 -7.860 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -7.127 7.642 -9.141 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -8.631 8.281 -8.438 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -7.057 8.872 -7.857 1.00 0.00 H new ATOM 670 N ALA A 48 -6.675 5.806 -3.605 1.00 0.00 N ATOM 671 CA ALA A 48 -5.548 5.019 -3.135 1.00 0.00 C ATOM 672 C ALA A 48 -6.015 3.592 -2.841 1.00 0.00 C ATOM 673 O ALA A 48 -5.489 2.634 -3.406 1.00 0.00 O ATOM 674 CB ALA A 48 -4.928 5.694 -1.910 1.00 0.00 C ATOM 0 H ALA A 48 -6.748 6.736 -3.192 1.00 0.00 H new ATOM 0 HA ALA A 48 -4.775 4.961 -3.901 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -4.083 5.103 -1.558 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -4.585 6.693 -2.180 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -5.674 5.768 -1.119 1.00 0.00 H new ATOM 680 N GLU A 49 -6.998 3.495 -1.958 1.00 0.00 N ATOM 681 CA GLU A 49 -7.542 2.202 -1.583 1.00 0.00 C ATOM 682 C GLU A 49 -7.938 1.410 -2.830 1.00 0.00 C ATOM 683 O GLU A 49 -7.756 0.194 -2.882 1.00 0.00 O ATOM 684 CB GLU A 49 -8.731 2.361 -0.634 1.00 0.00 C ATOM 685 CG GLU A 49 -9.597 1.100 -0.623 1.00 0.00 C ATOM 686 CD GLU A 49 -10.535 1.068 -1.831 1.00 0.00 C ATOM 687 OE1 GLU A 49 -11.279 2.058 -1.998 1.00 0.00 O ATOM 688 OE2 GLU A 49 -10.486 0.055 -2.561 1.00 0.00 O ATOM 0 H GLU A 49 -7.432 4.292 -1.491 1.00 0.00 H new ATOM 0 HA GLU A 49 -6.769 1.645 -1.053 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.371 2.568 0.374 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.333 3.217 -0.940 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -8.959 0.216 -0.630 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -10.181 1.064 0.297 1.00 0.00 H new ATOM 695 N LYS A 50 -8.472 2.131 -3.805 1.00 0.00 N ATOM 696 CA LYS A 50 -8.896 1.511 -5.049 1.00 0.00 C ATOM 697 C LYS A 50 -7.663 1.149 -5.879 1.00 0.00 C ATOM 698 O LYS A 50 -7.700 0.214 -6.677 1.00 0.00 O ATOM 699 CB LYS A 50 -9.890 2.411 -5.785 1.00 0.00 C ATOM 700 CG LYS A 50 -11.158 2.622 -4.954 1.00 0.00 C ATOM 701 CD LYS A 50 -12.095 3.625 -5.629 1.00 0.00 C ATOM 702 CE LYS A 50 -13.533 3.450 -5.136 1.00 0.00 C ATOM 703 NZ LYS A 50 -13.894 4.534 -4.195 1.00 0.00 N ATOM 0 H LYS A 50 -8.621 3.139 -3.759 1.00 0.00 H new ATOM 0 HA LYS A 50 -9.430 0.582 -4.849 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -9.426 3.374 -5.998 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -10.150 1.964 -6.744 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -11.673 1.670 -4.821 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -10.890 2.981 -3.960 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -11.757 4.640 -5.422 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -12.059 3.491 -6.710 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -14.217 3.454 -5.984 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -13.640 2.483 -4.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -14.873 4.400 -3.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -13.252 4.512 -3.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -13.811 5.453 -4.675 1.00 0.00 H new ATOM 717 N GLU A 51 -6.599 1.909 -5.662 1.00 0.00 N ATOM 718 CA GLU A 51 -5.357 1.680 -6.381 1.00 0.00 C ATOM 719 C GLU A 51 -4.655 0.432 -5.842 1.00 0.00 C ATOM 720 O GLU A 51 -3.813 -0.153 -6.522 1.00 0.00 O ATOM 721 CB GLU A 51 -4.442 2.904 -6.297 1.00 0.00 C ATOM 722 CG GLU A 51 -5.027 4.081 -7.080 1.00 0.00 C ATOM 723 CD GLU A 51 -5.305 3.689 -8.533 1.00 0.00 C ATOM 724 OE1 GLU A 51 -6.416 3.173 -8.779 1.00 0.00 O ATOM 725 OE2 GLU A 51 -4.399 3.915 -9.365 1.00 0.00 O ATOM 0 H GLU A 51 -6.572 2.683 -4.999 1.00 0.00 H new ATOM 0 HA GLU A 51 -5.593 1.515 -7.432 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -4.305 3.189 -5.254 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -3.457 2.654 -6.691 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -5.950 4.414 -6.606 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -4.333 4.921 -7.053 1.00 0.00 H new ATOM 732 N GLY A 52 -5.026 0.062 -4.625 1.00 0.00 N ATOM 733 CA GLY A 52 -4.442 -1.106 -3.988 1.00 0.00 C ATOM 734 C GLY A 52 -3.775 -0.731 -2.663 1.00 0.00 C ATOM 735 O GLY A 52 -3.621 -1.574 -1.781 1.00 0.00 O ATOM 0 H GLY A 52 -5.724 0.550 -4.063 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -5.216 -1.853 -3.811 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.707 -1.559 -4.654 1.00 0.00 H new ATOM 739 N LEU A 53 -3.397 0.535 -2.565 1.00 0.00 N ATOM 740 CA LEU A 53 -2.750 1.032 -1.362 1.00 0.00 C ATOM 741 C LEU A 53 -3.486 0.494 -0.133 1.00 0.00 C ATOM 742 O LEU A 53 -4.600 -0.015 -0.245 1.00 0.00 O ATOM 743 CB LEU A 53 -2.650 2.558 -1.399 1.00 0.00 C ATOM 744 CG LEU A 53 -1.364 3.160 -0.829 1.00 0.00 C ATOM 745 CD1 LEU A 53 -0.304 3.322 -1.921 1.00 0.00 C ATOM 746 CD2 LEU A 53 -1.649 4.478 -0.107 1.00 0.00 C ATOM 0 H LEU A 53 -3.526 1.232 -3.299 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.724 0.669 -1.304 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -2.753 2.884 -2.434 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.496 2.971 -0.849 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.961 2.468 -0.089 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.600 3.752 -1.490 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.073 2.348 -2.351 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.683 3.982 -2.701 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.718 4.885 0.289 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.087 5.189 -0.807 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.345 4.301 0.713 1.00 0.00 H new ATOM 758 N ARG A 54 -2.832 0.624 1.012 1.00 0.00 N ATOM 759 CA ARG A 54 -3.410 0.157 2.261 1.00 0.00 C ATOM 760 C ARG A 54 -2.390 0.276 3.395 1.00 0.00 C ATOM 761 O ARG A 54 -1.185 0.312 3.150 1.00 0.00 O ATOM 762 CB ARG A 54 -3.868 -1.299 2.146 1.00 0.00 C ATOM 763 CG ARG A 54 -5.350 -1.437 2.497 1.00 0.00 C ATOM 764 CD ARG A 54 -6.158 -1.914 1.289 1.00 0.00 C ATOM 765 NE ARG A 54 -6.668 -3.283 1.529 1.00 0.00 N ATOM 766 CZ ARG A 54 -7.306 -4.019 0.609 1.00 0.00 C ATOM 767 NH1 ARG A 54 -7.516 -3.523 -0.618 1.00 0.00 N ATOM 768 NH2 ARG A 54 -7.733 -5.251 0.916 1.00 0.00 N ATOM 0 H ARG A 54 -1.908 1.046 1.101 1.00 0.00 H new ATOM 0 HA ARG A 54 -4.276 0.782 2.480 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -3.696 -1.659 1.132 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -3.273 -1.925 2.812 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -5.468 -2.142 3.319 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -5.736 -0.478 2.842 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -6.990 -1.234 1.106 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -5.534 -1.901 0.396 1.00 0.00 H new ATOM 0 HE ARG A 54 -6.525 -3.691 2.453 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -7.190 -2.585 -0.852 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -8.002 -4.083 -1.318 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -7.572 -5.628 1.850 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -8.219 -5.812 0.216 1.00 0.00 H new ATOM 782 N VAL A 55 -2.910 0.332 4.612 1.00 0.00 N ATOM 783 CA VAL A 55 -2.060 0.446 5.785 1.00 0.00 C ATOM 784 C VAL A 55 -1.152 -0.782 5.872 1.00 0.00 C ATOM 785 O VAL A 55 -1.634 -1.907 5.995 1.00 0.00 O ATOM 786 CB VAL A 55 -2.918 0.646 7.036 1.00 0.00 C ATOM 787 CG1 VAL A 55 -2.065 0.566 8.304 1.00 0.00 C ATOM 788 CG2 VAL A 55 -3.681 1.970 6.972 1.00 0.00 C ATOM 0 H VAL A 55 -3.910 0.301 4.811 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.416 1.322 5.707 1.00 0.00 H new ATOM 0 HB VAL A 55 -3.650 -0.161 7.072 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -2.699 0.711 9.179 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -1.588 -0.412 8.360 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -1.300 1.342 8.277 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -4.283 2.087 7.873 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.972 2.795 6.899 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -4.332 1.973 6.098 1.00 0.00 H new ATOM 798 N GLY A 56 0.146 -0.525 5.806 1.00 0.00 N ATOM 799 CA GLY A 56 1.126 -1.596 5.876 1.00 0.00 C ATOM 800 C GLY A 56 2.155 -1.472 4.751 1.00 0.00 C ATOM 801 O GLY A 56 3.324 -1.809 4.934 1.00 0.00 O ATOM 0 H GLY A 56 0.542 0.409 5.705 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.632 -1.568 6.841 1.00 0.00 H new ATOM 0 HA3 GLY A 56 0.622 -2.560 5.808 1.00 0.00 H new ATOM 805 N ASP A 57 1.683 -0.987 3.611 1.00 0.00 N ATOM 806 CA ASP A 57 2.548 -0.815 2.457 1.00 0.00 C ATOM 807 C ASP A 57 3.775 0.004 2.862 1.00 0.00 C ATOM 808 O ASP A 57 3.906 0.403 4.018 1.00 0.00 O ATOM 809 CB ASP A 57 1.827 -0.063 1.336 1.00 0.00 C ATOM 810 CG ASP A 57 1.046 -0.948 0.362 1.00 0.00 C ATOM 811 OD1 ASP A 57 1.371 -2.154 0.306 1.00 0.00 O ATOM 812 OD2 ASP A 57 0.143 -0.399 -0.304 1.00 0.00 O ATOM 0 H ASP A 57 0.713 -0.708 3.463 1.00 0.00 H new ATOM 0 HA ASP A 57 2.836 -1.804 2.101 1.00 0.00 H new ATOM 0 HB2 ASP A 57 1.139 0.654 1.784 1.00 0.00 H new ATOM 0 HB3 ASP A 57 2.563 0.511 0.772 1.00 0.00 H new ATOM 817 N GLN A 58 4.644 0.231 1.887 1.00 0.00 N ATOM 818 CA GLN A 58 5.856 0.995 2.128 1.00 0.00 C ATOM 819 C GLN A 58 6.161 1.898 0.931 1.00 0.00 C ATOM 820 O GLN A 58 6.379 1.412 -0.178 1.00 0.00 O ATOM 821 CB GLN A 58 7.036 0.071 2.432 1.00 0.00 C ATOM 822 CG GLN A 58 8.103 0.796 3.255 1.00 0.00 C ATOM 823 CD GLN A 58 9.127 1.478 2.346 1.00 0.00 C ATOM 824 OE1 GLN A 58 8.818 2.382 1.588 1.00 0.00 O ATOM 825 NE2 GLN A 58 10.361 0.995 2.463 1.00 0.00 N ATOM 0 H GLN A 58 4.532 -0.101 0.929 1.00 0.00 H new ATOM 0 HA GLN A 58 5.696 1.625 3.003 1.00 0.00 H new ATOM 0 HB2 GLN A 58 6.685 -0.806 2.977 1.00 0.00 H new ATOM 0 HB3 GLN A 58 7.472 -0.287 1.499 1.00 0.00 H new ATOM 0 HG2 GLN A 58 7.630 1.539 3.897 1.00 0.00 H new ATOM 0 HG3 GLN A 58 8.608 0.085 3.909 1.00 0.00 H new ATOM 0 HE21 GLN A 58 10.552 0.236 3.118 1.00 0.00 H new ATOM 0 HE22 GLN A 58 11.116 1.383 1.898 1.00 0.00 H new ATOM 834 N ILE A 59 6.166 3.196 1.195 1.00 0.00 N ATOM 835 CA ILE A 59 6.440 4.171 0.153 1.00 0.00 C ATOM 836 C ILE A 59 7.938 4.169 -0.159 1.00 0.00 C ATOM 837 O ILE A 59 8.694 4.959 0.404 1.00 0.00 O ATOM 838 CB ILE A 59 5.896 5.545 0.548 1.00 0.00 C ATOM 839 CG1 ILE A 59 4.446 5.444 1.026 1.00 0.00 C ATOM 840 CG2 ILE A 59 6.053 6.547 -0.597 1.00 0.00 C ATOM 841 CD1 ILE A 59 3.510 5.095 -0.133 1.00 0.00 C ATOM 0 H ILE A 59 5.985 3.596 2.116 1.00 0.00 H new ATOM 0 HA ILE A 59 5.921 3.902 -0.767 1.00 0.00 H new ATOM 0 HB ILE A 59 6.486 5.918 1.385 1.00 0.00 H new ATOM 0 HG12 ILE A 59 4.368 4.684 1.803 1.00 0.00 H new ATOM 0 HG13 ILE A 59 4.140 6.390 1.473 1.00 0.00 H new ATOM 0 HG21 ILE A 59 5.658 7.515 -0.290 1.00 0.00 H new ATOM 0 HG22 ILE A 59 7.109 6.649 -0.849 1.00 0.00 H new ATOM 0 HG23 ILE A 59 5.504 6.192 -1.469 1.00 0.00 H new ATOM 0 HD11 ILE A 59 2.486 5.029 0.234 1.00 0.00 H new ATOM 0 HD12 ILE A 59 3.573 5.870 -0.897 1.00 0.00 H new ATOM 0 HD13 ILE A 59 3.804 4.137 -0.562 1.00 0.00 H new ATOM 853 N LEU A 60 8.322 3.273 -1.056 1.00 0.00 N ATOM 854 CA LEU A 60 9.716 3.158 -1.450 1.00 0.00 C ATOM 855 C LEU A 60 10.165 4.464 -2.108 1.00 0.00 C ATOM 856 O LEU A 60 11.158 5.061 -1.696 1.00 0.00 O ATOM 857 CB LEU A 60 9.924 1.923 -2.329 1.00 0.00 C ATOM 858 CG LEU A 60 9.178 0.659 -1.898 1.00 0.00 C ATOM 859 CD1 LEU A 60 9.614 -0.547 -2.732 1.00 0.00 C ATOM 860 CD2 LEU A 60 9.345 0.408 -0.398 1.00 0.00 C ATOM 0 H LEU A 60 7.692 2.620 -1.521 1.00 0.00 H new ATOM 0 HA LEU A 60 10.348 3.008 -0.575 1.00 0.00 H new ATOM 0 HB2 LEU A 60 9.621 2.171 -3.346 1.00 0.00 H new ATOM 0 HB3 LEU A 60 10.990 1.699 -2.360 1.00 0.00 H new ATOM 0 HG LEU A 60 8.115 0.811 -2.083 1.00 0.00 H new ATOM 0 HD11 LEU A 60 9.068 -1.432 -2.405 1.00 0.00 H new ATOM 0 HD12 LEU A 60 9.401 -0.358 -3.784 1.00 0.00 H new ATOM 0 HD13 LEU A 60 10.684 -0.712 -2.602 1.00 0.00 H new ATOM 0 HD21 LEU A 60 8.805 -0.496 -0.118 1.00 0.00 H new ATOM 0 HD22 LEU A 60 10.403 0.286 -0.165 1.00 0.00 H new ATOM 0 HD23 LEU A 60 8.946 1.256 0.159 1.00 0.00 H new ATOM 872 N ARG A 61 9.411 4.869 -3.120 1.00 0.00 N ATOM 873 CA ARG A 61 9.719 6.093 -3.839 1.00 0.00 C ATOM 874 C ARG A 61 8.508 7.028 -3.838 1.00 0.00 C ATOM 875 O ARG A 61 7.414 6.632 -3.441 1.00 0.00 O ATOM 876 CB ARG A 61 10.125 5.796 -5.284 1.00 0.00 C ATOM 877 CG ARG A 61 11.628 5.530 -5.388 1.00 0.00 C ATOM 878 CD ARG A 61 11.976 4.870 -6.724 1.00 0.00 C ATOM 879 NE ARG A 61 12.767 3.641 -6.491 1.00 0.00 N ATOM 880 CZ ARG A 61 13.069 2.750 -7.445 1.00 0.00 C ATOM 881 NH1 ARG A 61 12.649 2.946 -8.702 1.00 0.00 N ATOM 882 NH2 ARG A 61 13.791 1.663 -7.142 1.00 0.00 N ATOM 0 H ARG A 61 8.588 4.371 -3.459 1.00 0.00 H new ATOM 0 HA ARG A 61 10.555 6.575 -3.331 1.00 0.00 H new ATOM 0 HB2 ARG A 61 9.573 4.930 -5.650 1.00 0.00 H new ATOM 0 HB3 ARG A 61 9.856 6.638 -5.921 1.00 0.00 H new ATOM 0 HG2 ARG A 61 12.175 6.468 -5.288 1.00 0.00 H new ATOM 0 HG3 ARG A 61 11.945 4.887 -4.567 1.00 0.00 H new ATOM 0 HD2 ARG A 61 11.063 4.627 -7.268 1.00 0.00 H new ATOM 0 HD3 ARG A 61 12.542 5.564 -7.345 1.00 0.00 H new ATOM 0 HE ARG A 61 13.103 3.461 -5.545 1.00 0.00 H new ATOM 0 HH11 ARG A 61 12.099 3.774 -8.933 1.00 0.00 H new ATOM 0 HH12 ARG A 61 12.879 2.268 -9.428 1.00 0.00 H new ATOM 0 HH21 ARG A 61 14.111 1.514 -6.185 1.00 0.00 H new ATOM 0 HH22 ARG A 61 14.021 0.985 -7.868 1.00 0.00 H new ATOM 896 N VAL A 62 8.745 8.252 -4.288 1.00 0.00 N ATOM 897 CA VAL A 62 7.687 9.246 -4.345 1.00 0.00 C ATOM 898 C VAL A 62 7.869 10.109 -5.595 1.00 0.00 C ATOM 899 O VAL A 62 8.774 10.940 -5.653 1.00 0.00 O ATOM 900 CB VAL A 62 7.668 10.064 -3.052 1.00 0.00 C ATOM 901 CG1 VAL A 62 8.745 11.151 -3.075 1.00 0.00 C ATOM 902 CG2 VAL A 62 6.284 10.669 -2.805 1.00 0.00 C ATOM 0 H VAL A 62 9.654 8.577 -4.616 1.00 0.00 H new ATOM 0 HA VAL A 62 6.713 8.762 -4.423 1.00 0.00 H new ATOM 0 HB VAL A 62 7.890 9.389 -2.226 1.00 0.00 H new ATOM 0 HG11 VAL A 62 8.710 11.718 -2.145 1.00 0.00 H new ATOM 0 HG12 VAL A 62 9.726 10.689 -3.181 1.00 0.00 H new ATOM 0 HG13 VAL A 62 8.567 11.822 -3.915 1.00 0.00 H new ATOM 0 HG21 VAL A 62 6.299 11.245 -1.880 1.00 0.00 H new ATOM 0 HG22 VAL A 62 6.019 11.323 -3.636 1.00 0.00 H new ATOM 0 HG23 VAL A 62 5.547 9.870 -2.723 1.00 0.00 H new ATOM 912 N ASN A 63 6.995 9.881 -6.565 1.00 0.00 N ATOM 913 CA ASN A 63 7.049 10.627 -7.811 1.00 0.00 C ATOM 914 C ASN A 63 8.309 10.231 -8.583 1.00 0.00 C ATOM 915 O ASN A 63 8.223 9.625 -9.650 1.00 0.00 O ATOM 916 CB ASN A 63 7.108 12.133 -7.549 1.00 0.00 C ATOM 917 CG ASN A 63 6.867 12.923 -8.836 1.00 0.00 C ATOM 918 OD1 ASN A 63 5.661 12.742 -9.365 1.00 0.00 O flip ATOM 919 ND2 ASN A 63 7.721 13.650 -9.318 1.00 0.00 N flip ATOM 0 H ASN A 63 6.246 9.191 -6.513 1.00 0.00 H new ATOM 0 HA ASN A 63 6.150 10.396 -8.382 1.00 0.00 H new ATOM 0 HB2 ASN A 63 6.360 12.406 -6.805 1.00 0.00 H new ATOM 0 HB3 ASN A 63 8.081 12.396 -7.134 1.00 0.00 H new ATOM 0 HD21 ASN A 63 8.628 13.744 -8.861 1.00 0.00 H new ATOM 0 HD22 ASN A 63 7.528 14.163 -10.178 1.00 0.00 H new ATOM 926 N ASP A 64 9.450 10.591 -8.014 1.00 0.00 N ATOM 927 CA ASP A 64 10.727 10.281 -8.636 1.00 0.00 C ATOM 928 C ASP A 64 11.775 10.041 -7.548 1.00 0.00 C ATOM 929 O ASP A 64 12.536 9.077 -7.615 1.00 0.00 O ATOM 930 CB ASP A 64 11.209 11.440 -9.510 1.00 0.00 C ATOM 931 CG ASP A 64 11.010 11.243 -11.014 1.00 0.00 C ATOM 932 OD1 ASP A 64 11.541 10.236 -11.530 1.00 0.00 O ATOM 933 OD2 ASP A 64 10.331 12.104 -11.614 1.00 0.00 O ATOM 0 H ASP A 64 9.517 11.094 -7.129 1.00 0.00 H new ATOM 0 HA ASP A 64 10.594 9.394 -9.255 1.00 0.00 H new ATOM 0 HB2 ASP A 64 10.686 12.347 -9.205 1.00 0.00 H new ATOM 0 HB3 ASP A 64 12.269 11.604 -9.318 1.00 0.00 H new ATOM 938 N LYS A 65 11.780 10.934 -6.569 1.00 0.00 N ATOM 939 CA LYS A 65 12.722 10.832 -5.468 1.00 0.00 C ATOM 940 C LYS A 65 12.400 9.586 -4.641 1.00 0.00 C ATOM 941 O LYS A 65 11.294 9.054 -4.718 1.00 0.00 O ATOM 942 CB LYS A 65 12.734 12.126 -4.651 1.00 0.00 C ATOM 943 CG LYS A 65 13.717 13.139 -5.242 1.00 0.00 C ATOM 944 CD LYS A 65 14.514 13.837 -4.138 1.00 0.00 C ATOM 945 CE LYS A 65 13.849 15.152 -3.730 1.00 0.00 C ATOM 946 NZ LYS A 65 14.138 16.210 -4.724 1.00 0.00 N ATOM 0 H LYS A 65 11.146 11.732 -6.516 1.00 0.00 H new ATOM 0 HA LYS A 65 13.737 10.711 -5.846 1.00 0.00 H new ATOM 0 HB2 LYS A 65 11.733 12.556 -4.629 1.00 0.00 H new ATOM 0 HB3 LYS A 65 13.009 11.906 -3.619 1.00 0.00 H new ATOM 0 HG2 LYS A 65 14.400 12.633 -5.924 1.00 0.00 H new ATOM 0 HG3 LYS A 65 13.173 13.880 -5.827 1.00 0.00 H new ATOM 0 HD2 LYS A 65 14.593 13.181 -3.271 1.00 0.00 H new ATOM 0 HD3 LYS A 65 15.529 14.031 -4.484 1.00 0.00 H new ATOM 0 HE2 LYS A 65 12.772 15.010 -3.644 1.00 0.00 H new ATOM 0 HE3 LYS A 65 14.209 15.459 -2.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 13.781 17.122 -4.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 15.165 16.275 -4.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 13.671 15.978 -5.624 1.00 0.00 H new ATOM 960 N SER A 66 13.388 9.155 -3.869 1.00 0.00 N ATOM 961 CA SER A 66 13.223 7.981 -3.029 1.00 0.00 C ATOM 962 C SER A 66 13.364 8.368 -1.556 1.00 0.00 C ATOM 963 O SER A 66 14.345 9.000 -1.168 1.00 0.00 O ATOM 964 CB SER A 66 14.240 6.897 -3.393 1.00 0.00 C ATOM 965 OG SER A 66 13.791 5.597 -3.019 1.00 0.00 O ATOM 0 H SER A 66 14.305 9.598 -3.808 1.00 0.00 H new ATOM 0 HA SER A 66 12.225 7.577 -3.198 1.00 0.00 H new ATOM 0 HB2 SER A 66 14.427 6.921 -4.467 1.00 0.00 H new ATOM 0 HB3 SER A 66 15.188 7.109 -2.899 1.00 0.00 H new ATOM 0 HG SER A 66 12.906 5.664 -2.603 1.00 0.00 H new ATOM 971 N LEU A 67 12.370 7.972 -0.775 1.00 0.00 N ATOM 972 CA LEU A 67 12.371 8.269 0.647 1.00 0.00 C ATOM 973 C LEU A 67 13.137 7.174 1.392 1.00 0.00 C ATOM 974 O LEU A 67 12.669 6.668 2.411 1.00 0.00 O ATOM 975 CB LEU A 67 10.942 8.472 1.153 1.00 0.00 C ATOM 976 CG LEU A 67 9.976 9.154 0.181 1.00 0.00 C ATOM 977 CD1 LEU A 67 10.662 10.308 -0.554 1.00 0.00 C ATOM 978 CD2 LEU A 67 9.367 8.139 -0.788 1.00 0.00 C ATOM 0 H LEU A 67 11.558 7.448 -1.100 1.00 0.00 H new ATOM 0 HA LEU A 67 12.889 9.208 0.839 1.00 0.00 H new ATOM 0 HB2 LEU A 67 10.531 7.499 1.420 1.00 0.00 H new ATOM 0 HB3 LEU A 67 10.982 9.063 2.068 1.00 0.00 H new ATOM 0 HG LEU A 67 9.156 9.582 0.757 1.00 0.00 H new ATOM 0 HD11 LEU A 67 9.954 10.776 -1.238 1.00 0.00 H new ATOM 0 HD12 LEU A 67 11.008 11.046 0.170 1.00 0.00 H new ATOM 0 HD13 LEU A 67 11.513 9.926 -1.118 1.00 0.00 H new ATOM 0 HD21 LEU A 67 8.684 8.649 -1.468 1.00 0.00 H new ATOM 0 HD22 LEU A 67 10.161 7.662 -1.362 1.00 0.00 H new ATOM 0 HD23 LEU A 67 8.821 7.382 -0.226 1.00 0.00 H new ATOM 990 N ALA A 68 14.302 6.841 0.855 1.00 0.00 N ATOM 991 CA ALA A 68 15.137 5.815 1.456 1.00 0.00 C ATOM 992 C ALA A 68 15.732 6.348 2.761 1.00 0.00 C ATOM 993 O ALA A 68 16.724 7.075 2.744 1.00 0.00 O ATOM 994 CB ALA A 68 16.213 5.383 0.458 1.00 0.00 C ATOM 0 H ALA A 68 14.687 7.264 0.010 1.00 0.00 H new ATOM 0 HA ALA A 68 14.545 4.932 1.700 1.00 0.00 H new ATOM 0 HB1 ALA A 68 16.839 4.613 0.909 1.00 0.00 H new ATOM 0 HB2 ALA A 68 15.739 4.985 -0.439 1.00 0.00 H new ATOM 0 HB3 ALA A 68 16.829 6.242 0.192 1.00 0.00 H new ATOM 1000 N ARG A 69 15.100 5.966 3.862 1.00 0.00 N ATOM 1001 CA ARG A 69 15.555 6.397 5.173 1.00 0.00 C ATOM 1002 C ARG A 69 15.591 7.925 5.247 1.00 0.00 C ATOM 1003 O ARG A 69 16.663 8.520 5.350 1.00 0.00 O ATOM 1004 CB ARG A 69 16.948 5.845 5.481 1.00 0.00 C ATOM 1005 CG ARG A 69 17.039 5.365 6.932 1.00 0.00 C ATOM 1006 CD ARG A 69 18.035 4.211 7.066 1.00 0.00 C ATOM 1007 NE ARG A 69 17.870 3.552 8.380 1.00 0.00 N ATOM 1008 CZ ARG A 69 18.520 2.439 8.749 1.00 0.00 C ATOM 1009 NH1 ARG A 69 19.381 1.855 7.905 1.00 0.00 N ATOM 1010 NH2 ARG A 69 18.308 1.910 9.962 1.00 0.00 N ATOM 0 H ARG A 69 14.277 5.363 3.873 1.00 0.00 H new ATOM 0 HA ARG A 69 14.852 6.011 5.911 1.00 0.00 H new ATOM 0 HB2 ARG A 69 17.173 5.019 4.806 1.00 0.00 H new ATOM 0 HB3 ARG A 69 17.697 6.617 5.302 1.00 0.00 H new ATOM 0 HG2 ARG A 69 17.346 6.191 7.574 1.00 0.00 H new ATOM 0 HG3 ARG A 69 16.056 5.043 7.275 1.00 0.00 H new ATOM 0 HD2 ARG A 69 17.878 3.489 6.265 1.00 0.00 H new ATOM 0 HD3 ARG A 69 19.054 4.585 6.962 1.00 0.00 H new ATOM 0 HE ARG A 69 17.221 3.970 9.047 1.00 0.00 H new ATOM 0 HH11 ARG A 69 19.542 2.257 6.982 1.00 0.00 H new ATOM 0 HH12 ARG A 69 19.875 1.008 8.186 1.00 0.00 H new ATOM 0 HH21 ARG A 69 17.652 2.354 10.605 1.00 0.00 H new ATOM 0 HH22 ARG A 69 18.803 1.063 10.243 1.00 0.00 H new ATOM 1024 N VAL A 70 14.407 8.516 5.191 1.00 0.00 N ATOM 1025 CA VAL A 70 14.290 9.963 5.251 1.00 0.00 C ATOM 1026 C VAL A 70 13.203 10.342 6.258 1.00 0.00 C ATOM 1027 O VAL A 70 12.151 9.706 6.310 1.00 0.00 O ATOM 1028 CB VAL A 70 14.030 10.525 3.851 1.00 0.00 C ATOM 1029 CG1 VAL A 70 15.062 10.003 2.850 1.00 0.00 C ATOM 1030 CG2 VAL A 70 12.607 10.206 3.388 1.00 0.00 C ATOM 0 H VAL A 70 13.520 8.019 5.105 1.00 0.00 H new ATOM 0 HA VAL A 70 15.223 10.407 5.598 1.00 0.00 H new ATOM 0 HB VAL A 70 14.131 11.609 3.901 1.00 0.00 H new ATOM 0 HG11 VAL A 70 14.854 10.418 1.864 1.00 0.00 H new ATOM 0 HG12 VAL A 70 16.061 10.304 3.167 1.00 0.00 H new ATOM 0 HG13 VAL A 70 15.008 8.915 2.805 1.00 0.00 H new ATOM 0 HG21 VAL A 70 12.448 10.616 2.391 1.00 0.00 H new ATOM 0 HG22 VAL A 70 12.466 9.125 3.362 1.00 0.00 H new ATOM 0 HG23 VAL A 70 11.891 10.649 4.081 1.00 0.00 H new ATOM 1040 N THR A 71 13.494 11.375 7.035 1.00 0.00 N ATOM 1041 CA THR A 71 12.554 11.846 8.038 1.00 0.00 C ATOM 1042 C THR A 71 11.142 11.917 7.454 1.00 0.00 C ATOM 1043 O THR A 71 10.966 11.873 6.238 1.00 0.00 O ATOM 1044 CB THR A 71 13.061 13.188 8.568 1.00 0.00 C ATOM 1045 OG1 THR A 71 13.656 13.808 7.431 1.00 0.00 O ATOM 1046 CG2 THR A 71 14.220 13.029 9.555 1.00 0.00 C ATOM 0 H THR A 71 14.368 11.899 6.990 1.00 0.00 H new ATOM 0 HA THR A 71 12.490 11.153 8.877 1.00 0.00 H new ATOM 0 HB THR A 71 12.242 13.719 9.053 1.00 0.00 H new ATOM 0 HG1 THR A 71 14.010 14.686 7.685 1.00 0.00 H new ATOM 0 HG21 THR A 71 14.541 14.012 9.900 1.00 0.00 H new ATOM 0 HG22 THR A 71 13.893 12.434 10.408 1.00 0.00 H new ATOM 0 HG23 THR A 71 15.052 12.528 9.061 1.00 0.00 H new ATOM 1054 N HIS A 72 10.171 12.027 8.349 1.00 0.00 N ATOM 1055 CA HIS A 72 8.779 12.105 7.938 1.00 0.00 C ATOM 1056 C HIS A 72 8.569 13.350 7.074 1.00 0.00 C ATOM 1057 O HIS A 72 7.839 13.308 6.085 1.00 0.00 O ATOM 1058 CB HIS A 72 7.850 12.062 9.153 1.00 0.00 C ATOM 1059 CG HIS A 72 6.469 11.533 8.851 1.00 0.00 C ATOM 1060 ND1 HIS A 72 5.319 12.273 9.066 1.00 0.00 N ATOM 1061 CD2 HIS A 72 6.065 10.331 8.348 1.00 0.00 C ATOM 1062 CE1 HIS A 72 4.276 11.539 8.707 1.00 0.00 C ATOM 1063 NE2 HIS A 72 4.740 10.336 8.262 1.00 0.00 N ATOM 0 H HIS A 72 10.321 12.064 9.357 1.00 0.00 H new ATOM 0 HA HIS A 72 8.526 11.236 7.330 1.00 0.00 H new ATOM 0 HB2 HIS A 72 8.305 11.441 9.924 1.00 0.00 H new ATOM 0 HB3 HIS A 72 7.761 13.067 9.565 1.00 0.00 H new ATOM 0 HD1 HIS A 72 5.281 13.222 9.438 1.00 0.00 H new ATOM 0 HD2 HIS A 72 6.713 9.514 8.067 1.00 0.00 H new ATOM 0 HE1 HIS A 72 3.240 11.840 8.758 1.00 0.00 H new ATOM 1071 N ALA A 73 9.220 14.430 7.480 1.00 0.00 N ATOM 1072 CA ALA A 73 9.114 15.685 6.756 1.00 0.00 C ATOM 1073 C ALA A 73 9.692 15.509 5.350 1.00 0.00 C ATOM 1074 O ALA A 73 9.142 16.027 4.380 1.00 0.00 O ATOM 1075 CB ALA A 73 9.821 16.790 7.543 1.00 0.00 C ATOM 0 H ALA A 73 9.823 14.462 8.302 1.00 0.00 H new ATOM 0 HA ALA A 73 8.070 15.979 6.648 1.00 0.00 H new ATOM 0 HB1 ALA A 73 9.741 17.732 7.000 1.00 0.00 H new ATOM 0 HB2 ALA A 73 9.354 16.895 8.522 1.00 0.00 H new ATOM 0 HB3 ALA A 73 10.872 16.531 7.669 1.00 0.00 H new ATOM 1081 N GLU A 74 10.794 14.775 5.286 1.00 0.00 N ATOM 1082 CA GLU A 74 11.452 14.524 4.016 1.00 0.00 C ATOM 1083 C GLU A 74 10.460 13.937 3.010 1.00 0.00 C ATOM 1084 O GLU A 74 10.149 14.567 2.000 1.00 0.00 O ATOM 1085 CB GLU A 74 12.659 13.602 4.197 1.00 0.00 C ATOM 1086 CG GLU A 74 13.922 14.407 4.511 1.00 0.00 C ATOM 1087 CD GLU A 74 14.274 15.347 3.356 1.00 0.00 C ATOM 1088 OE1 GLU A 74 14.475 14.824 2.239 1.00 0.00 O ATOM 1089 OE2 GLU A 74 14.333 16.568 3.617 1.00 0.00 O ATOM 0 H GLU A 74 11.247 14.347 6.093 1.00 0.00 H new ATOM 0 HA GLU A 74 11.817 15.474 3.625 1.00 0.00 H new ATOM 0 HB2 GLU A 74 12.464 12.896 5.004 1.00 0.00 H new ATOM 0 HB3 GLU A 74 12.813 13.016 3.291 1.00 0.00 H new ATOM 0 HG2 GLU A 74 13.772 14.985 5.423 1.00 0.00 H new ATOM 0 HG3 GLU A 74 14.754 13.728 4.698 1.00 0.00 H new ATOM 1096 N ALA A 75 9.990 12.738 3.321 1.00 0.00 N ATOM 1097 CA ALA A 75 9.039 12.059 2.458 1.00 0.00 C ATOM 1098 C ALA A 75 7.851 12.984 2.189 1.00 0.00 C ATOM 1099 O ALA A 75 7.474 13.199 1.037 1.00 0.00 O ATOM 1100 CB ALA A 75 8.616 10.738 3.103 1.00 0.00 C ATOM 0 H ALA A 75 10.250 12.219 4.160 1.00 0.00 H new ATOM 0 HA ALA A 75 9.495 11.820 1.497 1.00 0.00 H new ATOM 0 HB1 ALA A 75 7.902 10.229 2.455 1.00 0.00 H new ATOM 0 HB2 ALA A 75 9.492 10.106 3.245 1.00 0.00 H new ATOM 0 HB3 ALA A 75 8.151 10.937 4.069 1.00 0.00 H new ATOM 1106 N VAL A 76 7.292 13.508 3.270 1.00 0.00 N ATOM 1107 CA VAL A 76 6.154 14.404 3.166 1.00 0.00 C ATOM 1108 C VAL A 76 6.476 15.516 2.165 1.00 0.00 C ATOM 1109 O VAL A 76 5.769 15.688 1.173 1.00 0.00 O ATOM 1110 CB VAL A 76 5.778 14.937 4.550 1.00 0.00 C ATOM 1111 CG1 VAL A 76 4.671 15.989 4.451 1.00 0.00 C ATOM 1112 CG2 VAL A 76 5.368 13.796 5.483 1.00 0.00 C ATOM 0 H VAL A 76 7.607 13.328 4.223 1.00 0.00 H new ATOM 0 HA VAL A 76 5.281 13.870 2.790 1.00 0.00 H new ATOM 0 HB VAL A 76 6.659 15.418 4.975 1.00 0.00 H new ATOM 0 HG11 VAL A 76 4.423 16.351 5.449 1.00 0.00 H new ATOM 0 HG12 VAL A 76 5.014 16.822 3.838 1.00 0.00 H new ATOM 0 HG13 VAL A 76 3.786 15.544 3.996 1.00 0.00 H new ATOM 0 HG21 VAL A 76 5.106 14.201 6.460 1.00 0.00 H new ATOM 0 HG22 VAL A 76 4.508 13.274 5.064 1.00 0.00 H new ATOM 0 HG23 VAL A 76 6.198 13.098 5.591 1.00 0.00 H new ATOM 1122 N LYS A 77 7.545 16.242 2.460 1.00 0.00 N ATOM 1123 CA LYS A 77 7.970 17.332 1.598 1.00 0.00 C ATOM 1124 C LYS A 77 7.999 16.848 0.147 1.00 0.00 C ATOM 1125 O LYS A 77 7.895 17.649 -0.780 1.00 0.00 O ATOM 1126 CB LYS A 77 9.302 17.909 2.081 1.00 0.00 C ATOM 1127 CG LYS A 77 9.078 19.127 2.980 1.00 0.00 C ATOM 1128 CD LYS A 77 10.124 19.185 4.095 1.00 0.00 C ATOM 1129 CE LYS A 77 9.983 20.470 4.913 1.00 0.00 C ATOM 1130 NZ LYS A 77 11.005 21.460 4.505 1.00 0.00 N ATOM 0 H LYS A 77 8.129 16.097 3.284 1.00 0.00 H new ATOM 0 HA LYS A 77 7.257 18.155 1.645 1.00 0.00 H new ATOM 0 HB2 LYS A 77 9.856 17.146 2.628 1.00 0.00 H new ATOM 0 HB3 LYS A 77 9.912 18.193 1.223 1.00 0.00 H new ATOM 0 HG2 LYS A 77 9.127 20.038 2.383 1.00 0.00 H new ATOM 0 HG3 LYS A 77 8.080 19.084 3.415 1.00 0.00 H new ATOM 0 HD2 LYS A 77 10.012 18.320 4.748 1.00 0.00 H new ATOM 0 HD3 LYS A 77 11.124 19.132 3.664 1.00 0.00 H new ATOM 0 HE2 LYS A 77 8.986 20.889 4.774 1.00 0.00 H new ATOM 0 HE3 LYS A 77 10.089 20.246 5.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 10.895 22.326 5.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 11.954 21.064 4.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 10.886 21.687 3.497 1.00 0.00 H new ATOM 1144 N ALA A 78 8.143 15.540 -0.004 1.00 0.00 N ATOM 1145 CA ALA A 78 8.188 14.939 -1.326 1.00 0.00 C ATOM 1146 C ALA A 78 6.768 14.572 -1.763 1.00 0.00 C ATOM 1147 O ALA A 78 6.388 14.803 -2.910 1.00 0.00 O ATOM 1148 CB ALA A 78 9.123 13.729 -1.306 1.00 0.00 C ATOM 0 H ALA A 78 8.230 14.879 0.768 1.00 0.00 H new ATOM 0 HA ALA A 78 8.585 15.645 -2.055 1.00 0.00 H new ATOM 0 HB1 ALA A 78 9.156 13.279 -2.298 1.00 0.00 H new ATOM 0 HB2 ALA A 78 10.125 14.048 -1.018 1.00 0.00 H new ATOM 0 HB3 ALA A 78 8.755 12.997 -0.587 1.00 0.00 H new ATOM 1154 N LEU A 79 6.023 14.006 -0.826 1.00 0.00 N ATOM 1155 CA LEU A 79 4.653 13.604 -1.100 1.00 0.00 C ATOM 1156 C LEU A 79 3.798 14.851 -1.336 1.00 0.00 C ATOM 1157 O LEU A 79 3.292 15.449 -0.388 1.00 0.00 O ATOM 1158 CB LEU A 79 4.127 12.700 0.017 1.00 0.00 C ATOM 1159 CG LEU A 79 4.526 11.225 -0.070 1.00 0.00 C ATOM 1160 CD1 LEU A 79 4.703 10.622 1.324 1.00 0.00 C ATOM 1161 CD2 LEU A 79 3.524 10.434 -0.914 1.00 0.00 C ATOM 0 H LEU A 79 6.341 13.816 0.124 1.00 0.00 H new ATOM 0 HA LEU A 79 4.605 13.007 -2.011 1.00 0.00 H new ATOM 0 HB2 LEU A 79 4.476 13.095 0.971 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.039 12.762 0.025 1.00 0.00 H new ATOM 0 HG LEU A 79 5.491 11.162 -0.573 1.00 0.00 H new ATOM 0 HD11 LEU A 79 4.986 9.573 1.234 1.00 0.00 H new ATOM 0 HD12 LEU A 79 5.483 11.164 1.858 1.00 0.00 H new ATOM 0 HD13 LEU A 79 3.766 10.698 1.875 1.00 0.00 H new ATOM 0 HD21 LEU A 79 3.831 9.389 -0.959 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.534 10.502 -0.462 1.00 0.00 H new ATOM 0 HD23 LEU A 79 3.492 10.847 -1.922 1.00 0.00 H new ATOM 1257 N LEU A 85 1.391 12.667 -9.234 1.00 0.00 N ATOM 1258 CA LEU A 85 2.150 12.083 -8.141 1.00 0.00 C ATOM 1259 C LEU A 85 2.078 10.558 -8.234 1.00 0.00 C ATOM 1260 O LEU A 85 1.016 9.969 -8.033 1.00 0.00 O ATOM 1261 CB LEU A 85 1.672 12.641 -6.799 1.00 0.00 C ATOM 1262 CG LEU A 85 2.264 11.983 -5.551 1.00 0.00 C ATOM 1263 CD1 LEU A 85 3.707 11.539 -5.797 1.00 0.00 C ATOM 1264 CD2 LEU A 85 2.147 12.907 -4.337 1.00 0.00 C ATOM 0 HA LEU A 85 3.202 12.358 -8.218 1.00 0.00 H new ATOM 0 HB2 LEU A 85 1.902 13.706 -6.768 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.587 12.548 -6.755 1.00 0.00 H new ATOM 0 HG LEU A 85 1.685 11.086 -5.330 1.00 0.00 H new ATOM 0 HD11 LEU A 85 4.104 11.075 -4.894 1.00 0.00 H new ATOM 0 HD12 LEU A 85 3.732 10.820 -6.616 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.315 12.406 -6.056 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.575 12.416 -3.463 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.686 13.834 -4.532 1.00 0.00 H new ATOM 0 HD23 LEU A 85 1.097 13.130 -4.150 1.00 0.00 H new ATOM 1276 N VAL A 86 3.221 9.961 -8.539 1.00 0.00 N ATOM 1277 CA VAL A 86 3.301 8.515 -8.661 1.00 0.00 C ATOM 1278 C VAL A 86 3.852 7.928 -7.360 1.00 0.00 C ATOM 1279 O VAL A 86 5.054 7.993 -7.106 1.00 0.00 O ATOM 1280 CB VAL A 86 4.134 8.139 -9.888 1.00 0.00 C ATOM 1281 CG1 VAL A 86 4.510 6.656 -9.861 1.00 0.00 C ATOM 1282 CG2 VAL A 86 3.398 8.495 -11.181 1.00 0.00 C ATOM 0 H VAL A 86 4.099 10.452 -8.705 1.00 0.00 H new ATOM 0 HA VAL A 86 2.310 8.089 -8.815 1.00 0.00 H new ATOM 0 HB VAL A 86 5.056 8.719 -9.858 1.00 0.00 H new ATOM 0 HG11 VAL A 86 5.102 6.415 -10.744 1.00 0.00 H new ATOM 0 HG12 VAL A 86 5.093 6.445 -8.965 1.00 0.00 H new ATOM 0 HG13 VAL A 86 3.603 6.051 -9.855 1.00 0.00 H new ATOM 0 HG21 VAL A 86 4.012 8.217 -12.038 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.452 7.954 -11.222 1.00 0.00 H new ATOM 0 HG23 VAL A 86 3.204 9.567 -11.206 1.00 0.00 H new ATOM 1292 N LEU A 87 2.948 7.366 -6.571 1.00 0.00 N ATOM 1293 CA LEU A 87 3.329 6.768 -5.303 1.00 0.00 C ATOM 1294 C LEU A 87 3.930 5.384 -5.558 1.00 0.00 C ATOM 1295 O LEU A 87 3.292 4.529 -6.170 1.00 0.00 O ATOM 1296 CB LEU A 87 2.141 6.754 -4.339 1.00 0.00 C ATOM 1297 CG LEU A 87 1.417 8.088 -4.147 1.00 0.00 C ATOM 1298 CD1 LEU A 87 2.414 9.226 -3.923 1.00 0.00 C ATOM 1299 CD2 LEU A 87 0.476 8.374 -5.319 1.00 0.00 C ATOM 0 H LEU A 87 1.952 7.312 -6.786 1.00 0.00 H new ATOM 0 HA LEU A 87 4.099 7.366 -4.815 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.419 6.019 -4.695 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.492 6.411 -3.366 1.00 0.00 H new ATOM 0 HG LEU A 87 0.803 8.017 -3.249 1.00 0.00 H new ATOM 0 HD11 LEU A 87 1.873 10.163 -3.789 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.008 9.020 -3.032 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.073 9.308 -4.787 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -0.026 9.328 -5.158 1.00 0.00 H new ATOM 0 HD22 LEU A 87 1.050 8.418 -6.244 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -0.267 7.580 -5.391 1.00 0.00 H new ATOM 1311 N SER A 88 5.151 5.207 -5.075 1.00 0.00 N ATOM 1312 CA SER A 88 5.846 3.942 -5.243 1.00 0.00 C ATOM 1313 C SER A 88 5.725 3.106 -3.967 1.00 0.00 C ATOM 1314 O SER A 88 6.289 3.459 -2.933 1.00 0.00 O ATOM 1315 CB SER A 88 7.319 4.165 -5.594 1.00 0.00 C ATOM 1316 OG SER A 88 7.507 4.389 -6.989 1.00 0.00 O ATOM 0 H SER A 88 5.677 5.918 -4.567 1.00 0.00 H new ATOM 0 HA SER A 88 5.382 3.403 -6.069 1.00 0.00 H new ATOM 0 HB2 SER A 88 7.700 5.020 -5.035 1.00 0.00 H new ATOM 0 HB3 SER A 88 7.901 3.297 -5.284 1.00 0.00 H new ATOM 0 HG SER A 88 8.392 4.063 -7.256 1.00 0.00 H new ATOM 1322 N VAL A 89 4.986 2.012 -4.083 1.00 0.00 N ATOM 1323 CA VAL A 89 4.784 1.123 -2.952 1.00 0.00 C ATOM 1324 C VAL A 89 5.101 -0.313 -3.375 1.00 0.00 C ATOM 1325 O VAL A 89 4.918 -0.677 -4.536 1.00 0.00 O ATOM 1326 CB VAL A 89 3.364 1.285 -2.405 1.00 0.00 C ATOM 1327 CG1 VAL A 89 3.330 2.305 -1.265 1.00 0.00 C ATOM 1328 CG2 VAL A 89 2.390 1.674 -3.519 1.00 0.00 C ATOM 0 H VAL A 89 4.520 1.722 -4.943 1.00 0.00 H new ATOM 0 HA VAL A 89 5.462 1.380 -2.139 1.00 0.00 H new ATOM 0 HB VAL A 89 3.046 0.323 -2.003 1.00 0.00 H new ATOM 0 HG11 VAL A 89 2.310 2.402 -0.894 1.00 0.00 H new ATOM 0 HG12 VAL A 89 3.980 1.969 -0.457 1.00 0.00 H new ATOM 0 HG13 VAL A 89 3.676 3.272 -1.631 1.00 0.00 H new ATOM 0 HG21 VAL A 89 1.388 1.783 -3.104 1.00 0.00 H new ATOM 0 HG22 VAL A 89 2.704 2.619 -3.963 1.00 0.00 H new ATOM 0 HG23 VAL A 89 2.384 0.898 -4.284 1.00 0.00 H new ATOM 1338 N TYR A 90 5.571 -1.090 -2.410 1.00 0.00 N ATOM 1339 CA TYR A 90 5.915 -2.478 -2.668 1.00 0.00 C ATOM 1340 C TYR A 90 4.892 -3.424 -2.035 1.00 0.00 C ATOM 1341 O TYR A 90 4.367 -3.145 -0.958 1.00 0.00 O ATOM 1342 CB TYR A 90 7.277 -2.705 -2.009 1.00 0.00 C ATOM 1343 CG TYR A 90 7.540 -4.158 -1.608 1.00 0.00 C ATOM 1344 CD1 TYR A 90 7.913 -5.080 -2.565 1.00 0.00 C ATOM 1345 CD2 TYR A 90 7.406 -4.545 -0.291 1.00 0.00 C ATOM 1346 CE1 TYR A 90 8.161 -6.448 -2.188 1.00 0.00 C ATOM 1347 CE2 TYR A 90 7.654 -5.913 0.086 1.00 0.00 C ATOM 1348 CZ TYR A 90 8.019 -6.797 -0.881 1.00 0.00 C ATOM 1349 OH TYR A 90 8.254 -8.088 -0.525 1.00 0.00 O ATOM 0 H TYR A 90 5.722 -0.785 -1.448 1.00 0.00 H new ATOM 0 HA TYR A 90 5.931 -2.676 -3.740 1.00 0.00 H new ATOM 0 HB2 TYR A 90 8.060 -2.381 -2.695 1.00 0.00 H new ATOM 0 HB3 TYR A 90 7.350 -2.075 -1.122 1.00 0.00 H new ATOM 0 HD1 TYR A 90 8.019 -4.776 -3.596 1.00 0.00 H new ATOM 0 HD2 TYR A 90 7.115 -3.823 0.457 1.00 0.00 H new ATOM 0 HE1 TYR A 90 8.453 -7.180 -2.926 1.00 0.00 H new ATOM 0 HE2 TYR A 90 7.552 -6.230 1.114 1.00 0.00 H new ATOM 0 HH TYR A 90 8.115 -8.192 0.440 1.00 0.00 H new ATOM 1359 N SER A 91 4.638 -4.522 -2.732 1.00 0.00 N ATOM 1360 CA SER A 91 3.687 -5.510 -2.251 1.00 0.00 C ATOM 1361 C SER A 91 4.421 -6.614 -1.488 1.00 0.00 C ATOM 1362 O SER A 91 5.543 -6.976 -1.838 1.00 0.00 O ATOM 1363 CB SER A 91 2.883 -6.108 -3.407 1.00 0.00 C ATOM 1364 OG SER A 91 1.715 -6.784 -2.951 1.00 0.00 O ATOM 0 H SER A 91 5.074 -4.749 -3.626 1.00 0.00 H new ATOM 0 HA SER A 91 2.989 -5.014 -1.577 1.00 0.00 H new ATOM 0 HB2 SER A 91 2.597 -5.315 -4.098 1.00 0.00 H new ATOM 0 HB3 SER A 91 3.511 -6.804 -3.963 1.00 0.00 H new ATOM 0 HG SER A 91 1.228 -7.150 -3.719 1.00 0.00 H new