USER MOD reduce.3.24.130724 H: found=0, std=0, add=535, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 457 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 20 THR OG1 : rot 180:sc= -0.743 USER MOD Set 1.2: A 92 SER OG : rot 180:sc= -1.85! USER MOD Single : A 32 ASN : amide:sc= -0.0179 X(o=-0.018,f=-0.2) USER MOD Single : A 46 SER OG : rot 170:sc= -0.0666 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot -74:sc= 0.429 USER MOD Single : A 55 HIS : no HD1:sc= -0.204 K(o=-0.2,f=-1.4) USER MOD Single : A 60 GLN : amide:sc=-0.000219 X(o=-0.00022,f=0) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 69 ASN :FLIP amide:sc= 0.399 F(o=-0.42,f=0.4) USER MOD Single : A 74 GLN : amide:sc=-0.000306 X(o=-0.00031,f=0) USER MOD Single : A 78 HIS : no HD1:sc= -3.5! C(o=-3.5!,f=-6.1!) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 153:sc= -0.0423 (180deg=-0.347) USER MOD Single : A 87 THR OG1 : rot -48:sc= -0.51 USER MOD Single : A 93 MET CE :methyl 176:sc= 0 (180deg=-0.0143) USER MOD ----------------------------------------------------------------- ATOM 196 N ARG A 17 -3.421 -5.838 12.969 1.00 0.00 N ATOM 197 CA ARG A 17 -3.446 -4.435 13.347 1.00 0.00 C ATOM 198 C ARG A 17 -4.240 -3.623 12.323 1.00 0.00 C ATOM 199 O ARG A 17 -4.425 -4.058 11.188 1.00 0.00 O ATOM 200 CB ARG A 17 -2.029 -3.868 13.450 1.00 0.00 C ATOM 201 CG ARG A 17 -1.195 -4.253 12.227 1.00 0.00 C ATOM 202 CD ARG A 17 0.073 -5.004 12.641 1.00 0.00 C ATOM 203 NE ARG A 17 1.106 -4.043 13.089 1.00 0.00 N ATOM 204 CZ ARG A 17 2.374 -4.378 13.366 1.00 0.00 C ATOM 205 NH1 ARG A 17 2.772 -5.651 13.243 1.00 0.00 N ATOM 206 NH2 ARG A 17 3.242 -3.440 13.766 1.00 0.00 N ATOM 0 HA ARG A 17 -3.926 -4.363 14.323 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -2.073 -2.782 13.538 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -1.549 -4.241 14.354 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -1.789 -4.876 11.559 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -0.925 -3.356 11.670 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -0.155 -5.706 13.443 1.00 0.00 H new ATOM 0 HD3 ARG A 17 0.449 -5.590 11.802 1.00 0.00 H new ATOM 0 HE ARG A 17 0.836 -3.065 13.193 1.00 0.00 H new ATOM 0 HH11 ARG A 17 2.110 -6.365 12.939 1.00 0.00 H new ATOM 0 HH12 ARG A 17 3.737 -5.906 13.454 1.00 0.00 H new ATOM 0 HH21 ARG A 17 2.938 -2.471 13.860 1.00 0.00 H new ATOM 0 HH22 ARG A 17 4.207 -3.695 13.977 1.00 0.00 H new ATOM 217 N ILE A 18 -4.690 -2.456 12.761 1.00 0.00 N ATOM 218 CA ILE A 18 -5.461 -1.578 11.898 1.00 0.00 C ATOM 219 C ILE A 18 -4.635 -0.332 11.577 1.00 0.00 C ATOM 220 O ILE A 18 -4.370 0.485 12.458 1.00 0.00 O ATOM 221 CB ILE A 18 -6.823 -1.270 12.524 1.00 0.00 C ATOM 222 CG1 ILE A 18 -7.626 -2.552 12.751 1.00 0.00 C ATOM 223 CG2 ILE A 18 -7.594 -0.251 11.684 1.00 0.00 C ATOM 224 CD1 ILE A 18 -8.558 -2.831 11.571 1.00 0.00 C ATOM 0 H ILE A 18 -4.535 -2.098 13.703 1.00 0.00 H new ATOM 0 HA ILE A 18 -5.677 -2.070 10.950 1.00 0.00 H new ATOM 0 HB ILE A 18 -6.655 -0.820 13.502 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -6.945 -3.392 12.888 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -8.210 -2.462 13.667 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -8.558 -0.050 12.151 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -7.022 0.675 11.619 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -7.752 -0.650 10.682 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -9.117 -3.748 11.758 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -9.253 -2.000 11.452 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -7.969 -2.944 10.661 1.00 0.00 H new ATOM 235 N VAL A 19 -4.251 -0.225 10.313 1.00 0.00 N ATOM 236 CA VAL A 19 -3.459 0.909 9.865 1.00 0.00 C ATOM 237 C VAL A 19 -4.394 2.006 9.353 1.00 0.00 C ATOM 238 O VAL A 19 -4.815 1.979 8.197 1.00 0.00 O ATOM 239 CB VAL A 19 -2.440 0.455 8.818 1.00 0.00 C ATOM 240 CG1 VAL A 19 -1.889 1.649 8.036 1.00 0.00 C ATOM 241 CG2 VAL A 19 -1.308 -0.346 9.467 1.00 0.00 C ATOM 0 H VAL A 19 -4.473 -0.904 9.585 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.888 1.328 10.694 1.00 0.00 H new ATOM 0 HB VAL A 19 -2.952 -0.199 8.113 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.167 1.299 7.298 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.707 2.160 7.529 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -1.400 2.340 8.723 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -0.597 -0.657 8.702 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.799 0.275 10.204 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -1.721 -1.227 9.958 1.00 0.00 H new ATOM 251 N THR A 20 -4.691 2.947 10.236 1.00 0.00 N ATOM 252 CA THR A 20 -5.568 4.052 9.888 1.00 0.00 C ATOM 253 C THR A 20 -4.747 5.299 9.552 1.00 0.00 C ATOM 254 O THR A 20 -3.798 5.632 10.260 1.00 0.00 O ATOM 255 CB THR A 20 -6.546 4.262 11.045 1.00 0.00 C ATOM 256 OG1 THR A 20 -6.829 2.944 11.505 1.00 0.00 O ATOM 257 CG2 THR A 20 -7.903 4.793 10.576 1.00 0.00 C ATOM 0 H THR A 20 -4.340 2.967 11.193 1.00 0.00 H new ATOM 0 HA THR A 20 -6.146 3.831 8.991 1.00 0.00 H new ATOM 0 HB THR A 20 -6.113 4.957 11.764 1.00 0.00 H new ATOM 0 HG1 THR A 20 -7.456 2.988 12.257 1.00 0.00 H new ATOM 0 HG21 THR A 20 -8.559 4.924 11.436 1.00 0.00 H new ATOM 0 HG22 THR A 20 -7.765 5.751 10.075 1.00 0.00 H new ATOM 0 HG23 THR A 20 -8.352 4.082 9.882 1.00 0.00 H new ATOM 265 N LEU A 21 -5.143 5.954 8.470 1.00 0.00 N ATOM 266 CA LEU A 21 -4.456 7.157 8.031 1.00 0.00 C ATOM 267 C LEU A 21 -5.434 8.333 8.050 1.00 0.00 C ATOM 268 O LEU A 21 -6.632 8.152 7.840 1.00 0.00 O ATOM 269 CB LEU A 21 -3.793 6.929 6.671 1.00 0.00 C ATOM 270 CG LEU A 21 -2.265 6.850 6.674 1.00 0.00 C ATOM 271 CD1 LEU A 21 -1.783 5.583 7.384 1.00 0.00 C ATOM 272 CD2 LEU A 21 -1.706 6.959 5.254 1.00 0.00 C ATOM 0 H LEU A 21 -5.930 5.674 7.885 1.00 0.00 H new ATOM 0 HA LEU A 21 -3.646 7.405 8.717 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -4.184 6.003 6.249 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.094 7.736 6.003 1.00 0.00 H new ATOM 0 HG LEU A 21 -1.881 7.701 7.237 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.694 5.551 7.372 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.135 5.588 8.416 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -2.177 4.706 6.871 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.618 6.900 5.286 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -2.096 6.143 4.646 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.005 7.912 4.817 1.00 0.00 H new ATOM 391 N GLY A 30 1.564 7.606 -0.356 1.00 0.00 N ATOM 392 CA GLY A 30 2.947 7.565 0.089 1.00 0.00 C ATOM 393 C GLY A 30 3.500 6.140 0.029 1.00 0.00 C ATOM 394 O GLY A 30 4.458 5.812 0.729 1.00 0.00 O ATOM 0 HA2 GLY A 30 3.553 8.221 -0.536 1.00 0.00 H new ATOM 0 HA3 GLY A 30 3.016 7.943 1.109 1.00 0.00 H new ATOM 398 N PHE A 31 2.872 5.330 -0.811 1.00 0.00 N ATOM 399 CA PHE A 31 3.289 3.947 -0.970 1.00 0.00 C ATOM 400 C PHE A 31 2.612 3.306 -2.184 1.00 0.00 C ATOM 401 O PHE A 31 1.592 3.801 -2.663 1.00 0.00 O ATOM 402 CB PHE A 31 2.857 3.201 0.293 1.00 0.00 C ATOM 403 CG PHE A 31 1.398 3.438 0.687 1.00 0.00 C ATOM 404 CD1 PHE A 31 1.064 4.523 1.437 1.00 0.00 C ATOM 405 CD2 PHE A 31 0.435 2.564 0.289 1.00 0.00 C ATOM 406 CE1 PHE A 31 -0.291 4.744 1.802 1.00 0.00 C ATOM 407 CE2 PHE A 31 -0.919 2.785 0.655 1.00 0.00 C ATOM 408 CZ PHE A 31 -1.254 3.869 1.403 1.00 0.00 C ATOM 0 H PHE A 31 2.078 5.605 -1.389 1.00 0.00 H new ATOM 0 HA PHE A 31 4.367 3.899 -1.122 1.00 0.00 H new ATOM 0 HB2 PHE A 31 3.013 2.133 0.143 1.00 0.00 H new ATOM 0 HB3 PHE A 31 3.500 3.504 1.119 1.00 0.00 H new ATOM 0 HD1 PHE A 31 1.829 5.216 1.755 1.00 0.00 H new ATOM 0 HD2 PHE A 31 0.700 1.702 -0.305 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -0.557 5.606 2.396 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -1.683 2.091 0.339 1.00 0.00 H new ATOM 0 HZ PHE A 31 -2.284 4.036 1.681 1.00 0.00 H new ATOM 417 N ASN A 32 3.205 2.216 -2.646 1.00 0.00 N ATOM 418 CA ASN A 32 2.672 1.502 -3.794 1.00 0.00 C ATOM 419 C ASN A 32 2.267 0.090 -3.368 1.00 0.00 C ATOM 420 O ASN A 32 2.896 -0.501 -2.492 1.00 0.00 O ATOM 421 CB ASN A 32 3.720 1.381 -4.901 1.00 0.00 C ATOM 422 CG ASN A 32 3.600 2.533 -5.900 1.00 0.00 C ATOM 423 OD1 ASN A 32 2.535 2.833 -6.417 1.00 0.00 O ATOM 424 ND2 ASN A 32 4.746 3.162 -6.142 1.00 0.00 N ATOM 0 H ASN A 32 4.050 1.809 -2.246 1.00 0.00 H new ATOM 0 HA ASN A 32 1.814 2.059 -4.170 1.00 0.00 H new ATOM 0 HB2 ASN A 32 4.718 1.378 -4.463 1.00 0.00 H new ATOM 0 HB3 ASN A 32 3.597 0.431 -5.420 1.00 0.00 H new ATOM 0 HD21 ASN A 32 4.770 3.946 -6.794 1.00 0.00 H new ATOM 0 HD22 ASN A 32 5.602 2.860 -5.676 1.00 0.00 H new ATOM 430 N ILE A 33 1.221 -0.409 -4.007 1.00 0.00 N ATOM 431 CA ILE A 33 0.724 -1.742 -3.706 1.00 0.00 C ATOM 432 C ILE A 33 1.136 -2.700 -4.826 1.00 0.00 C ATOM 433 O ILE A 33 1.391 -2.273 -5.951 1.00 0.00 O ATOM 434 CB ILE A 33 -0.784 -1.706 -3.451 1.00 0.00 C ATOM 435 CG1 ILE A 33 -1.526 -1.081 -4.634 1.00 0.00 C ATOM 436 CG2 ILE A 33 -1.100 -0.993 -2.134 1.00 0.00 C ATOM 437 CD1 ILE A 33 -2.631 -2.011 -5.139 1.00 0.00 C ATOM 0 H ILE A 33 0.702 0.085 -4.733 1.00 0.00 H new ATOM 0 HA ILE A 33 1.171 -2.117 -2.785 1.00 0.00 H new ATOM 0 HB ILE A 33 -1.139 -2.732 -3.355 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.958 -0.126 -4.334 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.823 -0.874 -5.441 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -2.178 -0.981 -1.976 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -0.619 -1.520 -1.310 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.728 0.031 -2.176 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -3.144 -1.544 -5.980 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -2.193 -2.956 -5.461 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -3.345 -2.197 -4.337 1.00 0.00 H new ATOM 448 N ARG A 34 1.189 -3.977 -4.478 1.00 0.00 N ATOM 449 CA ARG A 34 1.566 -4.999 -5.439 1.00 0.00 C ATOM 450 C ARG A 34 1.074 -6.372 -4.975 1.00 0.00 C ATOM 451 O ARG A 34 0.567 -6.510 -3.862 1.00 0.00 O ATOM 452 CB ARG A 34 3.083 -5.046 -5.628 1.00 0.00 C ATOM 453 CG ARG A 34 3.793 -5.318 -4.299 1.00 0.00 C ATOM 454 CD ARG A 34 5.274 -5.631 -4.523 1.00 0.00 C ATOM 455 NE ARG A 34 5.730 -6.645 -3.547 1.00 0.00 N ATOM 456 CZ ARG A 34 7.017 -6.923 -3.298 1.00 0.00 C ATOM 457 NH1 ARG A 34 7.983 -6.265 -3.952 1.00 0.00 N ATOM 458 NH2 ARG A 34 7.337 -7.861 -2.395 1.00 0.00 N ATOM 0 H ARG A 34 0.977 -4.327 -3.544 1.00 0.00 H new ATOM 0 HA ARG A 34 1.101 -4.745 -6.391 1.00 0.00 H new ATOM 0 HB2 ARG A 34 3.340 -5.824 -6.347 1.00 0.00 H new ATOM 0 HB3 ARG A 34 3.431 -4.100 -6.043 1.00 0.00 H new ATOM 0 HG2 ARG A 34 3.696 -4.451 -3.646 1.00 0.00 H new ATOM 0 HG3 ARG A 34 3.314 -6.155 -3.791 1.00 0.00 H new ATOM 0 HD2 ARG A 34 5.427 -5.997 -5.538 1.00 0.00 H new ATOM 0 HD3 ARG A 34 5.866 -4.722 -4.419 1.00 0.00 H new ATOM 0 HE ARG A 34 5.020 -7.165 -3.031 1.00 0.00 H new ATOM 0 HH11 ARG A 34 7.739 -5.552 -4.640 1.00 0.00 H new ATOM 0 HH12 ARG A 34 8.963 -6.477 -3.762 1.00 0.00 H new ATOM 0 HH21 ARG A 34 6.601 -8.363 -1.898 1.00 0.00 H new ATOM 0 HH22 ARG A 34 8.316 -8.073 -2.205 1.00 0.00 H new ATOM 469 N GLY A 35 1.240 -7.352 -5.851 1.00 0.00 N ATOM 470 CA GLY A 35 0.819 -8.708 -5.544 1.00 0.00 C ATOM 471 C GLY A 35 -0.686 -8.768 -5.274 1.00 0.00 C ATOM 472 O GLY A 35 -1.244 -7.865 -4.652 1.00 0.00 O ATOM 0 H GLY A 35 1.660 -7.234 -6.773 1.00 0.00 H new ATOM 0 HA2 GLY A 35 1.069 -9.367 -6.375 1.00 0.00 H new ATOM 0 HA3 GLY A 35 1.363 -9.073 -4.673 1.00 0.00 H new ATOM 554 N GLY A 42 -2.372 -11.937 -2.274 1.00 0.00 N ATOM 555 CA GLY A 42 -3.063 -10.793 -1.703 1.00 0.00 C ATOM 556 C GLY A 42 -2.309 -9.494 -1.999 1.00 0.00 C ATOM 557 O GLY A 42 -1.285 -9.509 -2.680 1.00 0.00 O ATOM 0 HA2 GLY A 42 -4.072 -10.733 -2.110 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -3.161 -10.923 -0.625 1.00 0.00 H new ATOM 561 N ILE A 43 -2.847 -8.403 -1.474 1.00 0.00 N ATOM 562 CA ILE A 43 -2.238 -7.100 -1.673 1.00 0.00 C ATOM 563 C ILE A 43 -1.134 -6.891 -0.634 1.00 0.00 C ATOM 564 O ILE A 43 -1.374 -7.023 0.566 1.00 0.00 O ATOM 565 CB ILE A 43 -3.306 -6.003 -1.663 1.00 0.00 C ATOM 566 CG1 ILE A 43 -4.229 -6.126 -2.876 1.00 0.00 C ATOM 567 CG2 ILE A 43 -2.666 -4.616 -1.569 1.00 0.00 C ATOM 568 CD1 ILE A 43 -3.449 -5.952 -4.181 1.00 0.00 C ATOM 0 H ILE A 43 -3.698 -8.395 -0.911 1.00 0.00 H new ATOM 0 HA ILE A 43 -1.766 -7.047 -2.654 1.00 0.00 H new ATOM 0 HB ILE A 43 -3.923 -6.135 -0.774 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -4.718 -7.100 -2.868 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -5.016 -5.374 -2.816 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -3.446 -3.855 -1.564 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -2.084 -4.545 -0.650 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -2.011 -4.459 -2.426 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.130 -6.044 -5.027 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -2.982 -4.967 -4.197 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -2.679 -6.720 -4.250 1.00 0.00 H new ATOM 579 N PHE A 44 0.050 -6.571 -1.132 1.00 0.00 N ATOM 580 CA PHE A 44 1.192 -6.345 -0.262 1.00 0.00 C ATOM 581 C PHE A 44 1.824 -4.978 -0.532 1.00 0.00 C ATOM 582 O PHE A 44 1.734 -4.457 -1.643 1.00 0.00 O ATOM 583 CB PHE A 44 2.216 -7.437 -0.573 1.00 0.00 C ATOM 584 CG PHE A 44 1.807 -8.830 -0.089 1.00 0.00 C ATOM 585 CD1 PHE A 44 2.095 -9.220 1.183 1.00 0.00 C ATOM 586 CD2 PHE A 44 1.155 -9.678 -0.928 1.00 0.00 C ATOM 587 CE1 PHE A 44 1.716 -10.511 1.632 1.00 0.00 C ATOM 588 CE2 PHE A 44 0.776 -10.970 -0.478 1.00 0.00 C ATOM 589 CZ PHE A 44 1.064 -11.360 0.792 1.00 0.00 C ATOM 0 H PHE A 44 0.244 -6.463 -2.127 1.00 0.00 H new ATOM 0 HA PHE A 44 0.875 -6.370 0.781 1.00 0.00 H new ATOM 0 HB2 PHE A 44 2.379 -7.471 -1.650 1.00 0.00 H new ATOM 0 HB3 PHE A 44 3.168 -7.169 -0.115 1.00 0.00 H new ATOM 0 HD1 PHE A 44 2.612 -8.546 1.850 1.00 0.00 H new ATOM 0 HD2 PHE A 44 0.925 -9.369 -1.937 1.00 0.00 H new ATOM 0 HE1 PHE A 44 1.945 -10.820 2.641 1.00 0.00 H new ATOM 0 HE2 PHE A 44 0.259 -11.643 -1.145 1.00 0.00 H new ATOM 0 HZ PHE A 44 0.776 -12.343 1.134 1.00 0.00 H new ATOM 598 N ILE A 45 2.450 -4.435 0.503 1.00 0.00 N ATOM 599 CA ILE A 45 3.096 -3.140 0.391 1.00 0.00 C ATOM 600 C ILE A 45 4.298 -3.253 -0.549 1.00 0.00 C ATOM 601 O ILE A 45 5.295 -3.892 -0.214 1.00 0.00 O ATOM 602 CB ILE A 45 3.449 -2.595 1.776 1.00 0.00 C ATOM 603 CG1 ILE A 45 2.206 -2.510 2.665 1.00 0.00 C ATOM 604 CG2 ILE A 45 4.171 -1.250 1.670 1.00 0.00 C ATOM 605 CD1 ILE A 45 1.448 -1.204 2.424 1.00 0.00 C ATOM 0 H ILE A 45 2.523 -4.870 1.423 1.00 0.00 H new ATOM 0 HA ILE A 45 2.414 -2.412 -0.049 1.00 0.00 H new ATOM 0 HB ILE A 45 4.138 -3.293 2.251 1.00 0.00 H new ATOM 0 HG12 ILE A 45 1.551 -3.357 2.462 1.00 0.00 H new ATOM 0 HG13 ILE A 45 2.499 -2.577 3.713 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.410 -0.886 2.669 1.00 0.00 H new ATOM 0 HG22 ILE A 45 5.091 -1.375 1.099 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.527 -0.530 1.166 1.00 0.00 H new ATOM 0 HD11 ILE A 45 0.569 -1.169 3.068 1.00 0.00 H new ATOM 0 HD12 ILE A 45 2.098 -0.359 2.651 1.00 0.00 H new ATOM 0 HD13 ILE A 45 1.136 -1.152 1.381 1.00 0.00 H new ATOM 616 N SER A 46 4.165 -2.624 -1.707 1.00 0.00 N ATOM 617 CA SER A 46 5.228 -2.647 -2.698 1.00 0.00 C ATOM 618 C SER A 46 6.360 -1.710 -2.273 1.00 0.00 C ATOM 619 O SER A 46 7.503 -2.138 -2.126 1.00 0.00 O ATOM 620 CB SER A 46 4.702 -2.252 -4.079 1.00 0.00 C ATOM 621 OG SER A 46 5.485 -1.221 -4.675 1.00 0.00 O ATOM 0 H SER A 46 3.337 -2.095 -1.982 1.00 0.00 H new ATOM 0 HA SER A 46 5.613 -3.665 -2.763 1.00 0.00 H new ATOM 0 HB2 SER A 46 4.699 -3.127 -4.729 1.00 0.00 H new ATOM 0 HB3 SER A 46 3.669 -1.917 -3.991 1.00 0.00 H new ATOM 0 HG SER A 46 5.220 -1.109 -5.612 1.00 0.00 H new ATOM 626 N LYS A 47 6.002 -0.447 -2.089 1.00 0.00 N ATOM 627 CA LYS A 47 6.973 0.554 -1.684 1.00 0.00 C ATOM 628 C LYS A 47 6.290 1.589 -0.787 1.00 0.00 C ATOM 629 O LYS A 47 5.113 1.895 -0.972 1.00 0.00 O ATOM 630 CB LYS A 47 7.659 1.162 -2.909 1.00 0.00 C ATOM 631 CG LYS A 47 8.399 2.450 -2.542 1.00 0.00 C ATOM 632 CD LYS A 47 9.862 2.387 -2.984 1.00 0.00 C ATOM 633 CE LYS A 47 10.801 2.397 -1.776 1.00 0.00 C ATOM 634 NZ LYS A 47 12.211 2.307 -2.215 1.00 0.00 N ATOM 0 H LYS A 47 5.053 -0.095 -2.213 1.00 0.00 H new ATOM 0 HA LYS A 47 7.768 0.096 -1.096 1.00 0.00 H new ATOM 0 HB2 LYS A 47 8.361 0.443 -3.331 1.00 0.00 H new ATOM 0 HB3 LYS A 47 6.917 1.372 -3.679 1.00 0.00 H new ATOM 0 HG2 LYS A 47 7.909 3.302 -3.014 1.00 0.00 H new ATOM 0 HG3 LYS A 47 8.347 2.609 -1.465 1.00 0.00 H new ATOM 0 HD2 LYS A 47 10.029 1.484 -3.572 1.00 0.00 H new ATOM 0 HD3 LYS A 47 10.087 3.235 -3.631 1.00 0.00 H new ATOM 0 HE2 LYS A 47 10.651 3.310 -1.199 1.00 0.00 H new ATOM 0 HE3 LYS A 47 10.565 1.561 -1.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 12.835 2.315 -1.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 12.354 1.424 -2.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 12.437 3.118 -2.825 1.00 0.00 H new ATOM 644 N VAL A 48 7.057 2.097 0.166 1.00 0.00 N ATOM 645 CA VAL A 48 6.540 3.090 1.092 1.00 0.00 C ATOM 646 C VAL A 48 7.485 4.293 1.125 1.00 0.00 C ATOM 647 O VAL A 48 8.697 4.130 1.259 1.00 0.00 O ATOM 648 CB VAL A 48 6.326 2.460 2.470 1.00 0.00 C ATOM 649 CG1 VAL A 48 6.175 3.535 3.548 1.00 0.00 C ATOM 650 CG2 VAL A 48 5.119 1.519 2.462 1.00 0.00 C ATOM 0 H VAL A 48 8.032 1.840 0.317 1.00 0.00 H new ATOM 0 HA VAL A 48 5.567 3.451 0.760 1.00 0.00 H new ATOM 0 HB VAL A 48 7.210 1.869 2.708 1.00 0.00 H new ATOM 0 HG11 VAL A 48 6.024 3.060 4.517 1.00 0.00 H new ATOM 0 HG12 VAL A 48 7.076 4.147 3.580 1.00 0.00 H new ATOM 0 HG13 VAL A 48 5.317 4.165 3.316 1.00 0.00 H new ATOM 0 HG21 VAL A 48 4.990 1.085 3.453 1.00 0.00 H new ATOM 0 HG22 VAL A 48 4.223 2.078 2.191 1.00 0.00 H new ATOM 0 HG23 VAL A 48 5.283 0.723 1.736 1.00 0.00 H new ATOM 660 N ILE A 49 6.896 5.472 1.001 1.00 0.00 N ATOM 661 CA ILE A 49 7.671 6.702 1.015 1.00 0.00 C ATOM 662 C ILE A 49 8.303 6.886 2.396 1.00 0.00 C ATOM 663 O ILE A 49 7.606 6.862 3.409 1.00 0.00 O ATOM 664 CB ILE A 49 6.807 7.884 0.570 1.00 0.00 C ATOM 665 CG1 ILE A 49 6.289 7.680 -0.854 1.00 0.00 C ATOM 666 CG2 ILE A 49 7.566 9.204 0.721 1.00 0.00 C ATOM 667 CD1 ILE A 49 7.442 7.410 -1.824 1.00 0.00 C ATOM 0 H ILE A 49 5.891 5.603 0.890 1.00 0.00 H new ATOM 0 HA ILE A 49 8.488 6.646 0.296 1.00 0.00 H new ATOM 0 HB ILE A 49 5.936 7.936 1.224 1.00 0.00 H new ATOM 0 HG12 ILE A 49 5.589 6.845 -0.874 1.00 0.00 H new ATOM 0 HG13 ILE A 49 5.739 8.565 -1.175 1.00 0.00 H new ATOM 0 HG21 ILE A 49 6.930 10.028 0.398 1.00 0.00 H new ATOM 0 HG22 ILE A 49 7.843 9.347 1.765 1.00 0.00 H new ATOM 0 HG23 ILE A 49 8.466 9.178 0.107 1.00 0.00 H new ATOM 0 HD11 ILE A 49 7.046 7.269 -2.830 1.00 0.00 H new ATOM 0 HD12 ILE A 49 8.127 8.258 -1.820 1.00 0.00 H new ATOM 0 HD13 ILE A 49 7.975 6.511 -1.514 1.00 0.00 H new ATOM 678 N PRO A 50 9.650 7.071 2.391 1.00 0.00 N ATOM 679 CA PRO A 50 10.383 7.258 3.632 1.00 0.00 C ATOM 680 C PRO A 50 10.158 8.663 4.195 1.00 0.00 C ATOM 681 O PRO A 50 11.110 9.417 4.393 1.00 0.00 O ATOM 682 CB PRO A 50 11.836 6.988 3.274 1.00 0.00 C ATOM 683 CG PRO A 50 11.924 7.114 1.762 1.00 0.00 C ATOM 684 CD PRO A 50 10.508 7.105 1.211 1.00 0.00 C ATOM 0 HA PRO A 50 10.049 6.587 4.423 1.00 0.00 H new ATOM 0 HB2 PRO A 50 12.498 7.702 3.764 1.00 0.00 H new ATOM 0 HB3 PRO A 50 12.140 5.994 3.601 1.00 0.00 H new ATOM 0 HG2 PRO A 50 12.436 8.036 1.485 1.00 0.00 H new ATOM 0 HG3 PRO A 50 12.502 6.290 1.343 1.00 0.00 H new ATOM 0 HD2 PRO A 50 10.313 7.990 0.606 1.00 0.00 H new ATOM 0 HD3 PRO A 50 10.337 6.238 0.572 1.00 0.00 H new ATOM 689 N ASP A 51 8.893 8.973 4.435 1.00 0.00 N ATOM 690 CA ASP A 51 8.530 10.274 4.971 1.00 0.00 C ATOM 691 C ASP A 51 7.075 10.581 4.613 1.00 0.00 C ATOM 692 O ASP A 51 6.761 11.686 4.172 1.00 0.00 O ATOM 693 CB ASP A 51 9.407 11.378 4.379 1.00 0.00 C ATOM 694 CG ASP A 51 9.715 11.228 2.887 1.00 0.00 C ATOM 695 OD1 ASP A 51 8.754 11.340 2.096 1.00 0.00 O ATOM 696 OD2 ASP A 51 10.904 11.005 2.573 1.00 0.00 O ATOM 0 H ASP A 51 8.106 8.346 4.268 1.00 0.00 H new ATOM 0 HA ASP A 51 8.670 10.244 6.052 1.00 0.00 H new ATOM 0 HB2 ASP A 51 8.915 12.337 4.539 1.00 0.00 H new ATOM 0 HB3 ASP A 51 10.348 11.407 4.928 1.00 0.00 H new ATOM 700 N SER A 52 6.226 9.585 4.812 1.00 0.00 N ATOM 701 CA SER A 52 4.812 9.734 4.516 1.00 0.00 C ATOM 702 C SER A 52 3.977 9.386 5.750 1.00 0.00 C ATOM 703 O SER A 52 4.521 9.194 6.836 1.00 0.00 O ATOM 704 CB SER A 52 4.402 8.854 3.333 1.00 0.00 C ATOM 705 OG SER A 52 4.649 7.474 3.583 1.00 0.00 O ATOM 0 H SER A 52 6.491 8.669 5.175 1.00 0.00 H new ATOM 0 HA SER A 52 4.628 10.773 4.244 1.00 0.00 H new ATOM 0 HB2 SER A 52 3.343 9.000 3.123 1.00 0.00 H new ATOM 0 HB3 SER A 52 4.950 9.165 2.443 1.00 0.00 H new ATOM 0 HG SER A 52 5.611 7.297 3.521 1.00 0.00 H new ATOM 710 N ASP A 53 2.671 9.316 5.541 1.00 0.00 N ATOM 711 CA ASP A 53 1.756 8.995 6.623 1.00 0.00 C ATOM 712 C ASP A 53 1.819 7.493 6.909 1.00 0.00 C ATOM 713 O ASP A 53 1.618 7.064 8.045 1.00 0.00 O ATOM 714 CB ASP A 53 0.315 9.345 6.249 1.00 0.00 C ATOM 715 CG ASP A 53 0.107 10.775 5.748 1.00 0.00 C ATOM 716 OD1 ASP A 53 0.774 11.131 4.754 1.00 0.00 O ATOM 717 OD2 ASP A 53 -0.717 11.480 6.372 1.00 0.00 O ATOM 0 H ASP A 53 2.224 9.476 4.638 1.00 0.00 H new ATOM 0 HA ASP A 53 2.052 9.575 7.498 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -0.023 8.653 5.478 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -0.320 9.185 7.121 1.00 0.00 H new ATOM 721 N ALA A 54 2.098 6.734 5.859 1.00 0.00 N ATOM 722 CA ALA A 54 2.189 5.289 5.983 1.00 0.00 C ATOM 723 C ALA A 54 3.462 4.927 6.752 1.00 0.00 C ATOM 724 O ALA A 54 3.439 4.060 7.624 1.00 0.00 O ATOM 725 CB ALA A 54 2.149 4.654 4.592 1.00 0.00 C ATOM 0 H ALA A 54 2.264 7.093 4.919 1.00 0.00 H new ATOM 0 HA ALA A 54 1.341 4.898 6.545 1.00 0.00 H new ATOM 0 HB1 ALA A 54 2.217 3.570 4.685 1.00 0.00 H new ATOM 0 HB2 ALA A 54 1.214 4.918 4.098 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.988 5.021 4.000 1.00 0.00 H new ATOM 731 N HIS A 55 4.542 5.610 6.401 1.00 0.00 N ATOM 732 CA HIS A 55 5.821 5.372 7.048 1.00 0.00 C ATOM 733 C HIS A 55 5.666 5.518 8.563 1.00 0.00 C ATOM 734 O HIS A 55 6.175 4.698 9.325 1.00 0.00 O ATOM 735 CB HIS A 55 6.901 6.289 6.470 1.00 0.00 C ATOM 736 CG HIS A 55 8.292 5.994 6.978 1.00 0.00 C ATOM 737 ND1 HIS A 55 9.332 6.904 6.888 1.00 0.00 N ATOM 738 CD2 HIS A 55 8.804 4.883 7.581 1.00 0.00 C ATOM 739 CE1 HIS A 55 10.415 6.355 7.416 1.00 0.00 C ATOM 740 NE2 HIS A 55 10.087 5.103 7.845 1.00 0.00 N ATOM 0 H HIS A 55 4.557 6.328 5.677 1.00 0.00 H new ATOM 0 HA HIS A 55 6.149 4.352 6.849 1.00 0.00 H new ATOM 0 HB2 HIS A 55 6.895 6.200 5.384 1.00 0.00 H new ATOM 0 HB3 HIS A 55 6.650 7.323 6.707 1.00 0.00 H new ATOM 0 HD2 HIS A 55 8.259 3.978 7.806 1.00 0.00 H new ATOM 0 HE1 HIS A 55 11.388 6.818 7.493 1.00 0.00 H new ATOM 0 HE2 HIS A 55 10.722 4.444 8.295 1.00 0.00 H new ATOM 747 N ARG A 56 4.961 6.569 8.954 1.00 0.00 N ATOM 748 CA ARG A 56 4.732 6.834 10.364 1.00 0.00 C ATOM 749 C ARG A 56 3.647 5.904 10.910 1.00 0.00 C ATOM 750 O ARG A 56 3.806 5.318 11.980 1.00 0.00 O ATOM 751 CB ARG A 56 4.310 8.287 10.590 1.00 0.00 C ATOM 752 CG ARG A 56 5.530 9.209 10.661 1.00 0.00 C ATOM 753 CD ARG A 56 5.594 10.126 9.438 1.00 0.00 C ATOM 754 NE ARG A 56 5.777 11.531 9.869 1.00 0.00 N ATOM 755 CZ ARG A 56 5.454 12.594 9.120 1.00 0.00 C ATOM 756 NH1 ARG A 56 4.931 12.421 7.899 1.00 0.00 N ATOM 757 NH2 ARG A 56 5.656 13.832 9.593 1.00 0.00 N ATOM 0 H ARG A 56 4.541 7.247 8.319 1.00 0.00 H new ATOM 0 HA ARG A 56 5.669 6.654 10.891 1.00 0.00 H new ATOM 0 HB2 ARG A 56 3.654 8.609 9.781 1.00 0.00 H new ATOM 0 HB3 ARG A 56 3.738 8.363 11.515 1.00 0.00 H new ATOM 0 HG2 ARG A 56 5.484 9.810 11.569 1.00 0.00 H new ATOM 0 HG3 ARG A 56 6.440 8.611 10.720 1.00 0.00 H new ATOM 0 HD2 ARG A 56 6.417 9.825 8.790 1.00 0.00 H new ATOM 0 HD3 ARG A 56 4.678 10.032 8.854 1.00 0.00 H new ATOM 0 HE ARG A 56 6.174 11.700 10.793 1.00 0.00 H new ATOM 0 HH11 ARG A 56 4.778 11.479 7.538 1.00 0.00 H new ATOM 0 HH12 ARG A 56 4.686 13.231 7.330 1.00 0.00 H new ATOM 0 HH21 ARG A 56 6.055 13.964 10.522 1.00 0.00 H new ATOM 0 HH22 ARG A 56 5.410 14.642 9.024 1.00 0.00 H new ATOM 768 N ALA A 57 2.566 5.797 10.150 1.00 0.00 N ATOM 769 CA ALA A 57 1.456 4.949 10.544 1.00 0.00 C ATOM 770 C ALA A 57 1.996 3.607 11.044 1.00 0.00 C ATOM 771 O ALA A 57 1.439 3.014 11.967 1.00 0.00 O ATOM 772 CB ALA A 57 0.494 4.786 9.365 1.00 0.00 C ATOM 0 H ALA A 57 2.437 6.284 9.263 1.00 0.00 H new ATOM 0 HA ALA A 57 0.897 5.405 11.361 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -0.340 4.149 9.661 1.00 0.00 H new ATOM 0 HB2 ALA A 57 0.116 5.764 9.066 1.00 0.00 H new ATOM 0 HB3 ALA A 57 1.020 4.329 8.527 1.00 0.00 H new ATOM 778 N GLY A 58 3.075 3.168 10.412 1.00 0.00 N ATOM 779 CA GLY A 58 3.697 1.908 10.781 1.00 0.00 C ATOM 780 C GLY A 58 3.676 0.922 9.610 1.00 0.00 C ATOM 781 O GLY A 58 3.536 -0.282 9.812 1.00 0.00 O ATOM 0 H GLY A 58 3.534 3.663 9.647 1.00 0.00 H new ATOM 0 HA2 GLY A 58 4.726 2.084 11.094 1.00 0.00 H new ATOM 0 HA3 GLY A 58 3.174 1.476 11.634 1.00 0.00 H new ATOM 785 N LEU A 59 3.817 1.473 8.414 1.00 0.00 N ATOM 786 CA LEU A 59 3.817 0.657 7.212 1.00 0.00 C ATOM 787 C LEU A 59 5.259 0.317 6.831 1.00 0.00 C ATOM 788 O LEU A 59 6.139 1.174 6.889 1.00 0.00 O ATOM 789 CB LEU A 59 3.033 1.351 6.094 1.00 0.00 C ATOM 790 CG LEU A 59 1.527 1.084 6.067 1.00 0.00 C ATOM 791 CD1 LEU A 59 0.834 1.965 5.025 1.00 0.00 C ATOM 792 CD2 LEU A 59 1.237 -0.401 5.846 1.00 0.00 C ATOM 0 H LEU A 59 3.932 2.473 8.251 1.00 0.00 H new ATOM 0 HA LEU A 59 3.304 -0.287 7.393 1.00 0.00 H new ATOM 0 HB2 LEU A 59 3.190 2.426 6.180 1.00 0.00 H new ATOM 0 HB3 LEU A 59 3.454 1.043 5.137 1.00 0.00 H new ATOM 0 HG LEU A 59 1.115 1.350 7.040 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -0.236 1.756 5.025 1.00 0.00 H new ATOM 0 HD12 LEU A 59 0.999 3.015 5.268 1.00 0.00 H new ATOM 0 HD13 LEU A 59 1.245 1.753 4.038 1.00 0.00 H new ATOM 0 HD21 LEU A 59 0.159 -0.563 5.831 1.00 0.00 H new ATOM 0 HD22 LEU A 59 1.665 -0.718 4.895 1.00 0.00 H new ATOM 0 HD23 LEU A 59 1.680 -0.982 6.654 1.00 0.00 H new ATOM 803 N GLN A 60 5.456 -0.937 6.449 1.00 0.00 N ATOM 804 CA GLN A 60 6.776 -1.401 6.059 1.00 0.00 C ATOM 805 C GLN A 60 6.669 -2.397 4.902 1.00 0.00 C ATOM 806 O GLN A 60 5.789 -3.256 4.898 1.00 0.00 O ATOM 807 CB GLN A 60 7.514 -2.020 7.248 1.00 0.00 C ATOM 808 CG GLN A 60 6.731 -3.201 7.825 1.00 0.00 C ATOM 809 CD GLN A 60 7.671 -4.220 8.470 1.00 0.00 C ATOM 810 OE1 GLN A 60 7.773 -4.330 9.681 1.00 0.00 O ATOM 811 NE2 GLN A 60 8.351 -4.958 7.597 1.00 0.00 N ATOM 0 H GLN A 60 4.723 -1.645 6.402 1.00 0.00 H new ATOM 0 HA GLN A 60 7.356 -0.542 5.721 1.00 0.00 H new ATOM 0 HB2 GLN A 60 8.503 -2.354 6.933 1.00 0.00 H new ATOM 0 HB3 GLN A 60 7.663 -1.266 8.021 1.00 0.00 H new ATOM 0 HG2 GLN A 60 6.016 -2.841 8.565 1.00 0.00 H new ATOM 0 HG3 GLN A 60 6.156 -3.682 7.034 1.00 0.00 H new ATOM 0 HE21 GLN A 60 8.219 -4.815 6.596 1.00 0.00 H new ATOM 0 HE22 GLN A 60 9.005 -5.667 7.929 1.00 0.00 H new ATOM 818 N GLU A 61 7.577 -2.248 3.948 1.00 0.00 N ATOM 819 CA GLU A 61 7.594 -3.123 2.789 1.00 0.00 C ATOM 820 C GLU A 61 7.526 -4.588 3.228 1.00 0.00 C ATOM 821 O GLU A 61 8.457 -5.098 3.849 1.00 0.00 O ATOM 822 CB GLU A 61 8.832 -2.867 1.927 1.00 0.00 C ATOM 823 CG GLU A 61 8.489 -1.994 0.719 1.00 0.00 C ATOM 824 CD GLU A 61 9.608 -0.991 0.431 1.00 0.00 C ATOM 825 OE1 GLU A 61 9.602 0.071 1.090 1.00 0.00 O ATOM 826 OE2 GLU A 61 10.444 -1.310 -0.442 1.00 0.00 O ATOM 0 H GLU A 61 8.306 -1.534 3.955 1.00 0.00 H new ATOM 0 HA GLU A 61 6.716 -2.905 2.181 1.00 0.00 H new ATOM 0 HB2 GLU A 61 9.602 -2.379 2.526 1.00 0.00 H new ATOM 0 HB3 GLU A 61 9.246 -3.817 1.588 1.00 0.00 H new ATOM 0 HG2 GLU A 61 8.327 -2.624 -0.155 1.00 0.00 H new ATOM 0 HG3 GLU A 61 7.557 -1.461 0.904 1.00 0.00 H new ATOM 831 N GLY A 62 6.413 -5.222 2.888 1.00 0.00 N ATOM 832 CA GLY A 62 6.210 -6.617 3.240 1.00 0.00 C ATOM 833 C GLY A 62 4.876 -6.812 3.961 1.00 0.00 C ATOM 834 O GLY A 62 4.322 -7.911 3.966 1.00 0.00 O ATOM 0 H GLY A 62 5.643 -4.795 2.373 1.00 0.00 H new ATOM 0 HA2 GLY A 62 6.233 -7.230 2.339 1.00 0.00 H new ATOM 0 HA3 GLY A 62 7.025 -6.957 3.878 1.00 0.00 H new ATOM 838 N ASP A 63 4.394 -5.729 4.554 1.00 0.00 N ATOM 839 CA ASP A 63 3.135 -5.767 5.277 1.00 0.00 C ATOM 840 C ASP A 63 2.004 -6.109 4.304 1.00 0.00 C ATOM 841 O ASP A 63 1.859 -5.467 3.266 1.00 0.00 O ATOM 842 CB ASP A 63 2.821 -4.409 5.908 1.00 0.00 C ATOM 843 CG ASP A 63 3.382 -4.205 7.317 1.00 0.00 C ATOM 844 OD1 ASP A 63 3.657 -5.234 7.972 1.00 0.00 O ATOM 845 OD2 ASP A 63 3.523 -3.026 7.707 1.00 0.00 O ATOM 0 H ASP A 63 4.854 -4.819 4.548 1.00 0.00 H new ATOM 0 HA ASP A 63 3.219 -6.519 6.062 1.00 0.00 H new ATOM 0 HB2 ASP A 63 3.213 -3.625 5.260 1.00 0.00 H new ATOM 0 HB3 ASP A 63 1.739 -4.283 5.942 1.00 0.00 H new ATOM 849 N GLN A 64 1.233 -7.121 4.676 1.00 0.00 N ATOM 850 CA GLN A 64 0.120 -7.557 3.850 1.00 0.00 C ATOM 851 C GLN A 64 -1.126 -6.724 4.158 1.00 0.00 C ATOM 852 O GLN A 64 -1.308 -6.265 5.285 1.00 0.00 O ATOM 853 CB GLN A 64 -0.154 -9.049 4.043 1.00 0.00 C ATOM 854 CG GLN A 64 -1.570 -9.409 3.587 1.00 0.00 C ATOM 855 CD GLN A 64 -1.672 -10.896 3.240 1.00 0.00 C ATOM 856 OE1 GLN A 64 -0.909 -11.723 3.710 1.00 0.00 O ATOM 857 NE2 GLN A 64 -2.656 -11.188 2.395 1.00 0.00 N ATOM 0 H GLN A 64 1.357 -7.651 5.538 1.00 0.00 H new ATOM 0 HA GLN A 64 0.386 -7.404 2.804 1.00 0.00 H new ATOM 0 HB2 GLN A 64 0.573 -9.632 3.478 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -0.028 -9.313 5.093 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -2.283 -9.166 4.375 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -1.840 -8.809 2.717 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -3.259 -10.447 2.039 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -2.808 -12.153 2.103 1.00 0.00 H new ATOM 864 N VAL A 65 -1.955 -6.557 3.138 1.00 0.00 N ATOM 865 CA VAL A 65 -3.179 -5.790 3.284 1.00 0.00 C ATOM 866 C VAL A 65 -4.379 -6.736 3.229 1.00 0.00 C ATOM 867 O VAL A 65 -4.880 -7.047 2.150 1.00 0.00 O ATOM 868 CB VAL A 65 -3.237 -4.688 2.225 1.00 0.00 C ATOM 869 CG1 VAL A 65 -4.441 -3.771 2.452 1.00 0.00 C ATOM 870 CG2 VAL A 65 -1.934 -3.886 2.196 1.00 0.00 C ATOM 0 H VAL A 65 -1.802 -6.941 2.205 1.00 0.00 H new ATOM 0 HA VAL A 65 -3.203 -5.291 4.253 1.00 0.00 H new ATOM 0 HB VAL A 65 -3.358 -5.165 1.252 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -4.458 -2.997 1.685 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -5.359 -4.356 2.398 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -4.364 -3.307 3.435 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -2.002 -3.109 1.434 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -1.768 -3.426 3.170 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -1.103 -4.551 1.963 1.00 0.00 H new ATOM 880 N LEU A 66 -4.806 -7.168 4.406 1.00 0.00 N ATOM 881 CA LEU A 66 -5.938 -8.074 4.506 1.00 0.00 C ATOM 882 C LEU A 66 -7.146 -7.452 3.802 1.00 0.00 C ATOM 883 O LEU A 66 -7.604 -7.962 2.780 1.00 0.00 O ATOM 884 CB LEU A 66 -6.202 -8.445 5.967 1.00 0.00 C ATOM 885 CG LEU A 66 -5.004 -8.990 6.747 1.00 0.00 C ATOM 886 CD1 LEU A 66 -5.327 -9.105 8.237 1.00 0.00 C ATOM 887 CD2 LEU A 66 -4.527 -10.320 6.160 1.00 0.00 C ATOM 0 H LEU A 66 -4.388 -6.907 5.299 1.00 0.00 H new ATOM 0 HA LEU A 66 -5.720 -9.013 3.998 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -6.575 -7.561 6.484 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -6.997 -9.190 5.994 1.00 0.00 H new ATOM 0 HG LEU A 66 -4.182 -8.281 6.649 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -4.459 -9.495 8.768 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -5.582 -8.121 8.631 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -6.171 -9.781 8.375 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -3.675 -10.686 6.733 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -5.336 -11.049 6.207 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -4.230 -10.174 5.121 1.00 0.00 H new ATOM 898 N ALA A 67 -7.628 -6.360 4.376 1.00 0.00 N ATOM 899 CA ALA A 67 -8.774 -5.663 3.817 1.00 0.00 C ATOM 900 C ALA A 67 -8.542 -4.153 3.910 1.00 0.00 C ATOM 901 O ALA A 67 -7.674 -3.700 4.653 1.00 0.00 O ATOM 902 CB ALA A 67 -10.045 -6.104 4.545 1.00 0.00 C ATOM 0 H ALA A 67 -7.246 -5.940 5.223 1.00 0.00 H new ATOM 0 HA ALA A 67 -8.899 -5.913 2.763 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -10.905 -5.581 4.126 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -10.179 -7.179 4.424 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -9.958 -5.867 5.605 1.00 0.00 H new ATOM 908 N VAL A 68 -9.335 -3.417 3.145 1.00 0.00 N ATOM 909 CA VAL A 68 -9.227 -1.968 3.131 1.00 0.00 C ATOM 910 C VAL A 68 -10.622 -1.356 3.273 1.00 0.00 C ATOM 911 O VAL A 68 -11.408 -1.369 2.327 1.00 0.00 O ATOM 912 CB VAL A 68 -8.498 -1.510 1.866 1.00 0.00 C ATOM 913 CG1 VAL A 68 -8.555 0.013 1.723 1.00 0.00 C ATOM 914 CG2 VAL A 68 -7.052 -2.008 1.855 1.00 0.00 C ATOM 0 H VAL A 68 -10.055 -3.797 2.530 1.00 0.00 H new ATOM 0 HA VAL A 68 -8.632 -1.621 3.976 1.00 0.00 H new ATOM 0 HB VAL A 68 -9.008 -1.947 1.008 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -8.030 0.313 0.816 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -9.595 0.334 1.663 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -8.081 0.478 2.588 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -6.557 -1.668 0.945 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -6.525 -1.614 2.724 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -7.042 -3.097 1.888 1.00 0.00 H new ATOM 924 N ASN A 69 -10.886 -0.835 4.463 1.00 0.00 N ATOM 925 CA ASN A 69 -12.172 -0.219 4.740 1.00 0.00 C ATOM 926 C ASN A 69 -13.288 -1.232 4.470 1.00 0.00 C ATOM 927 O ASN A 69 -14.258 -0.924 3.780 1.00 0.00 O ATOM 928 CB ASN A 69 -12.409 0.994 3.839 1.00 0.00 C ATOM 929 CG ASN A 69 -11.561 2.186 4.289 1.00 0.00 C ATOM 930 OD1 ASN A 69 -10.618 2.539 3.420 1.00 0.00 O flip ATOM 931 ND2 ASN A 69 -11.750 2.747 5.357 1.00 0.00 N flip ATOM 0 H ASN A 69 -10.231 -0.827 5.245 1.00 0.00 H new ATOM 0 HA ASN A 69 -12.174 0.100 5.782 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -12.165 0.739 2.808 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -13.464 1.266 3.859 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -12.492 2.425 5.978 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -11.166 3.538 5.628 1.00 0.00 H new ATOM 937 N ASP A 70 -13.111 -2.421 5.029 1.00 0.00 N ATOM 938 CA ASP A 70 -14.089 -3.481 4.856 1.00 0.00 C ATOM 939 C ASP A 70 -13.799 -4.231 3.555 1.00 0.00 C ATOM 940 O ASP A 70 -13.779 -5.461 3.535 1.00 0.00 O ATOM 941 CB ASP A 70 -15.508 -2.913 4.768 1.00 0.00 C ATOM 942 CG ASP A 70 -16.611 -3.852 5.256 1.00 0.00 C ATOM 943 OD1 ASP A 70 -16.665 -4.076 6.485 1.00 0.00 O ATOM 944 OD2 ASP A 70 -17.379 -4.325 4.390 1.00 0.00 O ATOM 0 H ASP A 70 -12.305 -2.673 5.602 1.00 0.00 H new ATOM 0 HA ASP A 70 -14.019 -4.147 5.716 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -15.551 -1.992 5.350 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -15.712 -2.645 3.731 1.00 0.00 H new ATOM 948 N VAL A 71 -13.581 -3.459 2.500 1.00 0.00 N ATOM 949 CA VAL A 71 -13.292 -4.036 1.198 1.00 0.00 C ATOM 950 C VAL A 71 -12.118 -5.008 1.325 1.00 0.00 C ATOM 951 O VAL A 71 -11.062 -4.649 1.842 1.00 0.00 O ATOM 952 CB VAL A 71 -13.039 -2.923 0.179 1.00 0.00 C ATOM 953 CG1 VAL A 71 -12.790 -3.504 -1.215 1.00 0.00 C ATOM 954 CG2 VAL A 71 -14.198 -1.925 0.157 1.00 0.00 C ATOM 0 H VAL A 71 -13.599 -2.439 2.520 1.00 0.00 H new ATOM 0 HA VAL A 71 -14.147 -4.605 0.833 1.00 0.00 H new ATOM 0 HB VAL A 71 -12.141 -2.386 0.485 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -12.613 -2.693 -1.921 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -11.918 -4.157 -1.186 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -13.662 -4.077 -1.532 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -13.992 -1.145 -0.576 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -15.119 -2.442 -0.113 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -14.310 -1.476 1.144 1.00 0.00 H new ATOM 964 N ASP A 72 -12.343 -6.222 0.844 1.00 0.00 N ATOM 965 CA ASP A 72 -11.317 -7.251 0.897 1.00 0.00 C ATOM 966 C ASP A 72 -10.275 -6.981 -0.191 1.00 0.00 C ATOM 967 O ASP A 72 -10.625 -6.651 -1.323 1.00 0.00 O ATOM 968 CB ASP A 72 -11.913 -8.637 0.647 1.00 0.00 C ATOM 969 CG ASP A 72 -13.227 -8.918 1.380 1.00 0.00 C ATOM 970 OD1 ASP A 72 -13.144 -9.300 2.568 1.00 0.00 O ATOM 971 OD2 ASP A 72 -14.283 -8.742 0.736 1.00 0.00 O ATOM 0 H ASP A 72 -13.221 -6.517 0.416 1.00 0.00 H new ATOM 0 HA ASP A 72 -10.866 -7.227 1.889 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -12.079 -8.757 -0.424 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -11.182 -9.389 0.942 1.00 0.00 H new ATOM 975 N PHE A 73 -9.015 -7.133 0.190 1.00 0.00 N ATOM 976 CA PHE A 73 -7.920 -6.911 -0.739 1.00 0.00 C ATOM 977 C PHE A 73 -7.238 -8.230 -1.108 1.00 0.00 C ATOM 978 O PHE A 73 -6.554 -8.315 -2.127 1.00 0.00 O ATOM 979 CB PHE A 73 -6.909 -6.009 -0.030 1.00 0.00 C ATOM 980 CG PHE A 73 -6.949 -4.549 -0.486 1.00 0.00 C ATOM 981 CD1 PHE A 73 -8.144 -3.928 -0.675 1.00 0.00 C ATOM 982 CD2 PHE A 73 -5.789 -3.873 -0.705 1.00 0.00 C ATOM 983 CE1 PHE A 73 -8.182 -2.574 -1.099 1.00 0.00 C ATOM 984 CE2 PHE A 73 -5.828 -2.518 -1.130 1.00 0.00 C ATOM 985 CZ PHE A 73 -7.023 -1.898 -1.318 1.00 0.00 C ATOM 0 H PHE A 73 -8.728 -7.407 1.130 1.00 0.00 H new ATOM 0 HA PHE A 73 -8.296 -6.459 -1.657 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -7.093 -6.049 1.044 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -5.907 -6.403 -0.196 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -9.065 -4.465 -0.502 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -4.840 -4.366 -0.556 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -9.131 -2.081 -1.248 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -4.908 -1.980 -1.304 1.00 0.00 H new ATOM 0 HZ PHE A 73 -7.052 -0.868 -1.641 1.00 0.00 H new ATOM 994 N GLN A 74 -7.449 -9.226 -0.260 1.00 0.00 N ATOM 995 CA GLN A 74 -6.863 -10.537 -0.485 1.00 0.00 C ATOM 996 C GLN A 74 -6.949 -10.910 -1.966 1.00 0.00 C ATOM 997 O GLN A 74 -6.070 -11.592 -2.490 1.00 0.00 O ATOM 998 CB GLN A 74 -7.538 -11.596 0.389 1.00 0.00 C ATOM 999 CG GLN A 74 -7.117 -11.450 1.852 1.00 0.00 C ATOM 1000 CD GLN A 74 -6.418 -12.717 2.350 1.00 0.00 C ATOM 1001 OE1 GLN A 74 -5.307 -13.039 1.959 1.00 0.00 O ATOM 1002 NE2 GLN A 74 -7.126 -13.415 3.232 1.00 0.00 N ATOM 0 H GLN A 74 -8.017 -9.152 0.584 1.00 0.00 H new ATOM 0 HA GLN A 74 -5.811 -10.497 -0.202 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -8.621 -11.503 0.308 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -7.275 -12.591 0.029 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -6.448 -10.596 1.958 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -7.993 -11.248 2.468 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -8.050 -13.089 3.517 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -6.746 -14.276 3.624 1.00 0.00 H new ATOM 1009 N ASP A 75 -8.017 -10.447 -2.598 1.00 0.00 N ATOM 1010 CA ASP A 75 -8.230 -10.724 -4.009 1.00 0.00 C ATOM 1011 C ASP A 75 -8.855 -9.497 -4.677 1.00 0.00 C ATOM 1012 O ASP A 75 -10.065 -9.454 -4.895 1.00 0.00 O ATOM 1013 CB ASP A 75 -9.184 -11.904 -4.200 1.00 0.00 C ATOM 1014 CG ASP A 75 -10.466 -11.842 -3.368 1.00 0.00 C ATOM 1015 OD1 ASP A 75 -10.338 -11.894 -2.126 1.00 0.00 O ATOM 1016 OD2 ASP A 75 -11.543 -11.744 -3.992 1.00 0.00 O ATOM 0 H ASP A 75 -8.744 -9.882 -2.160 1.00 0.00 H new ATOM 0 HA ASP A 75 -7.265 -10.965 -4.455 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -9.456 -11.965 -5.254 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -8.654 -12.824 -3.954 1.00 0.00 H new ATOM 1020 N ILE A 76 -8.002 -8.530 -4.982 1.00 0.00 N ATOM 1021 CA ILE A 76 -8.456 -7.307 -5.619 1.00 0.00 C ATOM 1022 C ILE A 76 -7.426 -6.866 -6.661 1.00 0.00 C ATOM 1023 O ILE A 76 -6.276 -7.302 -6.624 1.00 0.00 O ATOM 1024 CB ILE A 76 -8.764 -6.237 -4.569 1.00 0.00 C ATOM 1025 CG1 ILE A 76 -9.592 -5.100 -5.171 1.00 0.00 C ATOM 1026 CG2 ILE A 76 -7.479 -5.725 -3.914 1.00 0.00 C ATOM 1027 CD1 ILE A 76 -10.587 -4.545 -4.148 1.00 0.00 C ATOM 0 H ILE A 76 -6.999 -8.569 -4.800 1.00 0.00 H new ATOM 0 HA ILE A 76 -9.393 -7.480 -6.149 1.00 0.00 H new ATOM 0 HB ILE A 76 -9.366 -6.693 -3.783 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -8.930 -4.303 -5.509 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -10.130 -5.461 -6.048 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -7.726 -4.966 -3.172 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -6.964 -6.553 -3.428 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -6.831 -5.291 -4.675 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -11.163 -3.738 -4.601 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -11.263 -5.339 -3.830 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -10.045 -4.162 -3.283 1.00 0.00 H new ATOM 1038 N GLU A 77 -7.875 -6.009 -7.566 1.00 0.00 N ATOM 1039 CA GLU A 77 -7.006 -5.506 -8.616 1.00 0.00 C ATOM 1040 C GLU A 77 -6.134 -4.368 -8.084 1.00 0.00 C ATOM 1041 O GLU A 77 -6.590 -3.555 -7.280 1.00 0.00 O ATOM 1042 CB GLU A 77 -7.818 -5.053 -9.830 1.00 0.00 C ATOM 1043 CG GLU A 77 -8.135 -6.233 -10.750 1.00 0.00 C ATOM 1044 CD GLU A 77 -6.851 -6.898 -11.251 1.00 0.00 C ATOM 1045 OE1 GLU A 77 -6.095 -6.206 -11.964 1.00 0.00 O ATOM 1046 OE2 GLU A 77 -6.657 -8.085 -10.908 1.00 0.00 O ATOM 0 H GLU A 77 -8.829 -5.650 -7.594 1.00 0.00 H new ATOM 0 HA GLU A 77 -6.353 -6.317 -8.939 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -8.746 -4.587 -9.498 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -7.261 -4.296 -10.382 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -8.742 -6.963 -10.215 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -8.726 -5.888 -11.599 1.00 0.00 H new ATOM 1051 N HIS A 78 -4.895 -4.345 -8.552 1.00 0.00 N ATOM 1052 CA HIS A 78 -3.955 -3.319 -8.132 1.00 0.00 C ATOM 1053 C HIS A 78 -4.590 -1.938 -8.309 1.00 0.00 C ATOM 1054 O HIS A 78 -4.712 -1.180 -7.348 1.00 0.00 O ATOM 1055 CB HIS A 78 -2.627 -3.461 -8.880 1.00 0.00 C ATOM 1056 CG HIS A 78 -1.620 -2.384 -8.552 1.00 0.00 C ATOM 1057 ND1 HIS A 78 -1.619 -1.146 -9.171 1.00 0.00 N ATOM 1058 CD2 HIS A 78 -0.584 -2.372 -7.665 1.00 0.00 C ATOM 1059 CE1 HIS A 78 -0.622 -0.430 -8.671 1.00 0.00 C ATOM 1060 NE2 HIS A 78 0.017 -1.192 -7.739 1.00 0.00 N ATOM 0 H HIS A 78 -4.520 -5.020 -9.218 1.00 0.00 H new ATOM 0 HA HIS A 78 -3.725 -3.442 -7.074 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -2.193 -4.433 -8.647 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -2.822 -3.447 -9.952 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -0.301 -3.185 -7.013 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -0.362 0.580 -8.953 1.00 0.00 H new ATOM 0 HE2 HIS A 78 0.825 -0.902 -7.188 1.00 0.00 H new ATOM 1067 N SER A 79 -4.978 -1.654 -9.543 1.00 0.00 N ATOM 1068 CA SER A 79 -5.597 -0.377 -9.858 1.00 0.00 C ATOM 1069 C SER A 79 -6.737 -0.094 -8.878 1.00 0.00 C ATOM 1070 O SER A 79 -6.911 1.040 -8.434 1.00 0.00 O ATOM 1071 CB SER A 79 -6.117 -0.358 -11.297 1.00 0.00 C ATOM 1072 OG SER A 79 -6.067 0.949 -11.864 1.00 0.00 O ATOM 0 H SER A 79 -4.876 -2.286 -10.337 1.00 0.00 H new ATOM 0 HA SER A 79 -4.842 0.403 -9.763 1.00 0.00 H new ATOM 0 HB2 SER A 79 -5.524 -1.041 -11.906 1.00 0.00 H new ATOM 0 HB3 SER A 79 -7.144 -0.723 -11.317 1.00 0.00 H new ATOM 0 HG SER A 79 -6.405 0.920 -12.783 1.00 0.00 H new ATOM 1077 N LYS A 80 -7.484 -1.143 -8.569 1.00 0.00 N ATOM 1078 CA LYS A 80 -8.602 -1.021 -7.650 1.00 0.00 C ATOM 1079 C LYS A 80 -8.075 -0.683 -6.254 1.00 0.00 C ATOM 1080 O LYS A 80 -8.500 0.299 -5.647 1.00 0.00 O ATOM 1081 CB LYS A 80 -9.470 -2.281 -7.690 1.00 0.00 C ATOM 1082 CG LYS A 80 -10.880 -1.993 -7.172 1.00 0.00 C ATOM 1083 CD LYS A 80 -11.939 -2.465 -8.172 1.00 0.00 C ATOM 1084 CE LYS A 80 -13.218 -2.898 -7.452 1.00 0.00 C ATOM 1085 NZ LYS A 80 -14.190 -1.782 -7.406 1.00 0.00 N ATOM 0 H LYS A 80 -7.337 -2.082 -8.939 1.00 0.00 H new ATOM 0 HA LYS A 80 -9.255 -0.202 -7.953 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -9.524 -2.657 -8.712 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -9.010 -3.063 -7.086 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -11.029 -2.494 -6.215 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -10.994 -0.924 -6.993 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -12.166 -1.662 -8.873 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -11.547 -3.297 -8.757 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -13.660 -3.752 -7.965 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -12.980 -3.223 -6.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -15.052 -2.093 -6.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -13.771 -0.978 -6.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -14.430 -1.491 -8.375 1.00 0.00 H new ATOM 1095 N ALA A 81 -7.157 -1.515 -5.785 1.00 0.00 N ATOM 1096 CA ALA A 81 -6.567 -1.317 -4.472 1.00 0.00 C ATOM 1097 C ALA A 81 -6.111 0.137 -4.337 1.00 0.00 C ATOM 1098 O ALA A 81 -6.381 0.785 -3.326 1.00 0.00 O ATOM 1099 CB ALA A 81 -5.420 -2.309 -4.272 1.00 0.00 C ATOM 0 H ALA A 81 -6.807 -2.328 -6.291 1.00 0.00 H new ATOM 0 HA ALA A 81 -7.301 -1.506 -3.689 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -4.978 -2.160 -3.287 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -5.802 -3.327 -4.348 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -4.662 -2.148 -5.038 1.00 0.00 H new ATOM 1105 N VAL A 82 -5.428 0.608 -5.370 1.00 0.00 N ATOM 1106 CA VAL A 82 -4.932 1.974 -5.379 1.00 0.00 C ATOM 1107 C VAL A 82 -6.115 2.941 -5.320 1.00 0.00 C ATOM 1108 O VAL A 82 -6.251 3.702 -4.363 1.00 0.00 O ATOM 1109 CB VAL A 82 -4.037 2.197 -6.601 1.00 0.00 C ATOM 1110 CG1 VAL A 82 -3.684 3.677 -6.758 1.00 0.00 C ATOM 1111 CG2 VAL A 82 -2.774 1.337 -6.520 1.00 0.00 C ATOM 0 H VAL A 82 -5.206 0.068 -6.207 1.00 0.00 H new ATOM 0 HA VAL A 82 -4.314 2.163 -4.501 1.00 0.00 H new ATOM 0 HB VAL A 82 -4.595 1.890 -7.486 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -3.048 3.808 -7.633 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -4.598 4.258 -6.883 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -3.155 4.021 -5.869 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -2.156 1.514 -7.400 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -2.212 1.599 -5.623 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -3.053 0.284 -6.479 1.00 0.00 H new ATOM 1121 N GLU A 83 -6.940 2.882 -6.355 1.00 0.00 N ATOM 1122 CA GLU A 83 -8.106 3.745 -6.432 1.00 0.00 C ATOM 1123 C GLU A 83 -8.886 3.703 -5.117 1.00 0.00 C ATOM 1124 O GLU A 83 -9.156 4.742 -4.517 1.00 0.00 O ATOM 1125 CB GLU A 83 -9.000 3.354 -7.612 1.00 0.00 C ATOM 1126 CG GLU A 83 -9.033 4.462 -8.666 1.00 0.00 C ATOM 1127 CD GLU A 83 -9.776 5.693 -8.143 1.00 0.00 C ATOM 1128 OE1 GLU A 83 -9.192 6.385 -7.281 1.00 0.00 O ATOM 1129 OE2 GLU A 83 -10.911 5.915 -8.618 1.00 0.00 O ATOM 0 H GLU A 83 -6.824 2.250 -7.147 1.00 0.00 H new ATOM 0 HA GLU A 83 -7.767 4.767 -6.598 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -8.633 2.431 -8.061 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -10.011 3.155 -7.257 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -8.015 4.737 -8.942 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -9.520 4.095 -9.570 1.00 0.00 H new ATOM 1134 N ILE A 84 -9.226 2.489 -4.706 1.00 0.00 N ATOM 1135 CA ILE A 84 -9.969 2.298 -3.472 1.00 0.00 C ATOM 1136 C ILE A 84 -9.432 3.255 -2.405 1.00 0.00 C ATOM 1137 O ILE A 84 -10.170 4.092 -1.889 1.00 0.00 O ATOM 1138 CB ILE A 84 -9.940 0.828 -3.051 1.00 0.00 C ATOM 1139 CG1 ILE A 84 -10.793 -0.028 -3.989 1.00 0.00 C ATOM 1140 CG2 ILE A 84 -10.359 0.668 -1.588 1.00 0.00 C ATOM 1141 CD1 ILE A 84 -10.326 -1.485 -3.979 1.00 0.00 C ATOM 0 H ILE A 84 -9.000 1.629 -5.206 1.00 0.00 H new ATOM 0 HA ILE A 84 -11.021 2.542 -3.619 1.00 0.00 H new ATOM 0 HB ILE A 84 -8.914 0.470 -3.133 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -11.838 0.025 -3.685 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -10.735 0.369 -5.002 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -10.330 -0.387 -1.314 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -9.675 1.227 -0.950 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -11.372 1.049 -1.456 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -10.949 -2.071 -4.654 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -9.288 -1.537 -4.307 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -10.408 -1.886 -2.969 1.00 0.00 H new ATOM 1152 N LEU A 85 -8.151 3.097 -2.106 1.00 0.00 N ATOM 1153 CA LEU A 85 -7.507 3.936 -1.110 1.00 0.00 C ATOM 1154 C LEU A 85 -7.894 5.396 -1.351 1.00 0.00 C ATOM 1155 O LEU A 85 -8.576 6.004 -0.529 1.00 0.00 O ATOM 1156 CB LEU A 85 -5.996 3.694 -1.102 1.00 0.00 C ATOM 1157 CG LEU A 85 -5.532 2.373 -0.482 1.00 0.00 C ATOM 1158 CD1 LEU A 85 -4.071 2.087 -0.834 1.00 0.00 C ATOM 1159 CD2 LEU A 85 -5.771 2.362 1.029 1.00 0.00 C ATOM 0 H LEU A 85 -7.542 2.401 -2.536 1.00 0.00 H new ATOM 0 HA LEU A 85 -7.854 3.675 -0.110 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -5.636 3.737 -2.130 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -5.520 4.513 -0.563 1.00 0.00 H new ATOM 0 HG LEU A 85 -6.130 1.567 -0.907 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -3.766 1.143 -0.382 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -3.964 2.022 -1.917 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -3.441 2.892 -0.455 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -5.433 1.413 1.444 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -5.216 3.178 1.491 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -6.835 2.487 1.230 1.00 0.00 H new ATOM 1170 N LYS A 86 -7.440 5.915 -2.483 1.00 0.00 N ATOM 1171 CA LYS A 86 -7.730 7.294 -2.842 1.00 0.00 C ATOM 1172 C LYS A 86 -9.199 7.596 -2.537 1.00 0.00 C ATOM 1173 O LYS A 86 -9.503 8.334 -1.601 1.00 0.00 O ATOM 1174 CB LYS A 86 -7.336 7.561 -4.296 1.00 0.00 C ATOM 1175 CG LYS A 86 -5.888 8.043 -4.391 1.00 0.00 C ATOM 1176 CD LYS A 86 -4.955 6.900 -4.798 1.00 0.00 C ATOM 1177 CE LYS A 86 -4.473 7.072 -6.240 1.00 0.00 C ATOM 1178 NZ LYS A 86 -3.602 8.263 -6.357 1.00 0.00 N ATOM 0 H LYS A 86 -6.874 5.407 -3.163 1.00 0.00 H new ATOM 0 HA LYS A 86 -7.132 7.980 -2.242 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -7.459 6.651 -4.883 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -8.001 8.310 -4.725 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -5.817 8.852 -5.118 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -5.573 8.450 -3.430 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -4.098 6.869 -4.126 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -5.475 5.948 -4.696 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -3.927 6.183 -6.556 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -5.330 7.174 -6.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -2.940 8.133 -7.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -4.187 9.105 -6.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -3.066 8.389 -5.475 1.00 0.00 H new ATOM 1188 N THR A 87 -10.071 7.013 -3.346 1.00 0.00 N ATOM 1189 CA THR A 87 -11.499 7.212 -3.174 1.00 0.00 C ATOM 1190 C THR A 87 -11.868 7.184 -1.689 1.00 0.00 C ATOM 1191 O THR A 87 -12.578 8.064 -1.206 1.00 0.00 O ATOM 1192 CB THR A 87 -12.227 6.149 -4.000 1.00 0.00 C ATOM 1193 OG1 THR A 87 -11.782 4.914 -3.447 1.00 0.00 O ATOM 1194 CG2 THR A 87 -11.746 6.104 -5.452 1.00 0.00 C ATOM 0 H THR A 87 -9.816 6.403 -4.122 1.00 0.00 H new ATOM 0 HA THR A 87 -11.807 8.193 -3.534 1.00 0.00 H new ATOM 0 HB THR A 87 -13.299 6.345 -3.980 1.00 0.00 H new ATOM 0 HG1 THR A 87 -10.806 4.929 -3.355 1.00 0.00 H new ATOM 0 HG21 THR A 87 -12.295 5.333 -5.993 1.00 0.00 H new ATOM 0 HG22 THR A 87 -11.920 7.072 -5.923 1.00 0.00 H new ATOM 0 HG23 THR A 87 -10.681 5.875 -5.475 1.00 0.00 H new ATOM 1202 N ALA A 88 -11.367 6.165 -1.008 1.00 0.00 N ATOM 1203 CA ALA A 88 -11.633 6.012 0.413 1.00 0.00 C ATOM 1204 C ALA A 88 -11.120 7.244 1.160 1.00 0.00 C ATOM 1205 O ALA A 88 -9.915 7.396 1.360 1.00 0.00 O ATOM 1206 CB ALA A 88 -10.994 4.716 0.915 1.00 0.00 C ATOM 0 H ALA A 88 -10.778 5.437 -1.413 1.00 0.00 H new ATOM 0 HA ALA A 88 -12.705 5.939 0.597 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -11.193 4.601 1.980 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -11.415 3.869 0.374 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -9.917 4.753 0.749 1.00 0.00 H new ATOM 1212 N ARG A 89 -12.058 8.093 1.552 1.00 0.00 N ATOM 1213 CA ARG A 89 -11.714 9.308 2.273 1.00 0.00 C ATOM 1214 C ARG A 89 -10.681 9.005 3.359 1.00 0.00 C ATOM 1215 O ARG A 89 -9.670 9.697 3.469 1.00 0.00 O ATOM 1216 CB ARG A 89 -12.953 9.934 2.916 1.00 0.00 C ATOM 1217 CG ARG A 89 -13.757 8.888 3.691 1.00 0.00 C ATOM 1218 CD ARG A 89 -15.259 9.162 3.582 1.00 0.00 C ATOM 1219 NE ARG A 89 -15.820 9.447 4.922 1.00 0.00 N ATOM 1220 CZ ARG A 89 -17.127 9.409 5.212 1.00 0.00 C ATOM 1221 NH1 ARG A 89 -18.017 9.097 4.260 1.00 0.00 N ATOM 1222 NH2 ARG A 89 -17.546 9.682 6.456 1.00 0.00 N ATOM 0 H ARG A 89 -13.056 7.964 1.384 1.00 0.00 H new ATOM 0 HA ARG A 89 -11.295 10.014 1.556 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -12.652 10.737 3.588 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -13.580 10.382 2.145 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -13.536 7.893 3.304 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -13.457 8.896 4.739 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -15.435 10.008 2.917 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -15.763 8.301 3.143 1.00 0.00 H new ATOM 0 HE ARG A 89 -15.171 9.687 5.671 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -17.699 8.888 3.314 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -19.012 9.068 4.482 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -16.869 9.919 7.182 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -18.541 9.653 6.677 1.00 0.00 H new ATOM 1233 N GLU A 90 -10.970 7.970 4.135 1.00 0.00 N ATOM 1234 CA GLU A 90 -10.078 7.569 5.209 1.00 0.00 C ATOM 1235 C GLU A 90 -9.591 6.135 4.986 1.00 0.00 C ATOM 1236 O GLU A 90 -10.394 5.231 4.761 1.00 0.00 O ATOM 1237 CB GLU A 90 -10.761 7.711 6.571 1.00 0.00 C ATOM 1238 CG GLU A 90 -11.736 6.558 6.818 1.00 0.00 C ATOM 1239 CD GLU A 90 -12.588 6.818 8.062 1.00 0.00 C ATOM 1240 OE1 GLU A 90 -13.121 7.944 8.159 1.00 0.00 O ATOM 1241 OE2 GLU A 90 -12.688 5.884 8.886 1.00 0.00 O ATOM 0 H GLU A 90 -11.809 7.398 4.041 1.00 0.00 H new ATOM 0 HA GLU A 90 -9.212 8.231 5.203 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -10.008 7.731 7.359 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -11.295 8.660 6.617 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -12.383 6.431 5.950 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -11.181 5.628 6.941 1.00 0.00 H new ATOM 1246 N ILE A 91 -8.278 5.972 5.057 1.00 0.00 N ATOM 1247 CA ILE A 91 -7.675 4.665 4.866 1.00 0.00 C ATOM 1248 C ILE A 91 -7.719 3.890 6.185 1.00 0.00 C ATOM 1249 O ILE A 91 -7.223 4.365 7.205 1.00 0.00 O ATOM 1250 CB ILE A 91 -6.268 4.803 4.281 1.00 0.00 C ATOM 1251 CG1 ILE A 91 -6.319 5.372 2.861 1.00 0.00 C ATOM 1252 CG2 ILE A 91 -5.516 3.471 4.338 1.00 0.00 C ATOM 1253 CD1 ILE A 91 -5.059 6.184 2.552 1.00 0.00 C ATOM 0 H ILE A 91 -7.615 6.724 5.244 1.00 0.00 H new ATOM 0 HA ILE A 91 -8.243 4.087 4.137 1.00 0.00 H new ATOM 0 HB ILE A 91 -5.712 5.512 4.893 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -6.417 4.558 2.142 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -7.200 6.004 2.750 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -4.519 3.598 3.916 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -5.432 3.144 5.375 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -6.060 2.721 3.764 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -5.119 6.578 1.537 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -4.977 7.011 3.258 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -4.182 5.543 2.641 1.00 0.00 H new ATOM 1264 N SER A 92 -8.317 2.709 6.121 1.00 0.00 N ATOM 1265 CA SER A 92 -8.431 1.865 7.298 1.00 0.00 C ATOM 1266 C SER A 92 -8.379 0.390 6.891 1.00 0.00 C ATOM 1267 O SER A 92 -9.398 -0.297 6.902 1.00 0.00 O ATOM 1268 CB SER A 92 -9.724 2.157 8.063 1.00 0.00 C ATOM 1269 OG SER A 92 -9.486 2.364 9.453 1.00 0.00 O ATOM 0 H SER A 92 -8.727 2.317 5.273 1.00 0.00 H new ATOM 0 HA SER A 92 -7.592 2.085 7.958 1.00 0.00 H new ATOM 0 HB2 SER A 92 -10.203 3.041 7.642 1.00 0.00 H new ATOM 0 HB3 SER A 92 -10.418 1.326 7.934 1.00 0.00 H new ATOM 0 HG SER A 92 -10.335 2.549 9.906 1.00 0.00 H new ATOM 1274 N MET A 93 -7.180 -0.051 6.542 1.00 0.00 N ATOM 1275 CA MET A 93 -6.981 -1.431 6.131 1.00 0.00 C ATOM 1276 C MET A 93 -6.413 -2.268 7.280 1.00 0.00 C ATOM 1277 O MET A 93 -5.877 -1.724 8.244 1.00 0.00 O ATOM 1278 CB MET A 93 -6.018 -1.477 4.942 1.00 0.00 C ATOM 1279 CG MET A 93 -4.702 -0.770 5.275 1.00 0.00 C ATOM 1280 SD MET A 93 -3.326 -1.711 4.640 1.00 0.00 S ATOM 1281 CE MET A 93 -2.839 -0.668 3.275 1.00 0.00 C ATOM 0 H MET A 93 -6.336 0.522 6.535 1.00 0.00 H new ATOM 0 HA MET A 93 -7.946 -1.848 5.844 1.00 0.00 H new ATOM 0 HB2 MET A 93 -5.819 -2.514 4.670 1.00 0.00 H new ATOM 0 HB3 MET A 93 -6.481 -1.003 4.076 1.00 0.00 H new ATOM 0 HG2 MET A 93 -4.698 0.231 4.844 1.00 0.00 H new ATOM 0 HG3 MET A 93 -4.606 -0.653 6.354 1.00 0.00 H new ATOM 0 HE1 MET A 93 -1.942 -1.075 2.808 1.00 0.00 H new ATOM 0 HE2 MET A 93 -3.644 -0.630 2.541 1.00 0.00 H new ATOM 0 HE3 MET A 93 -2.633 0.338 3.641 1.00 0.00 H new ATOM 1289 N ARG A 94 -6.552 -3.578 7.140 1.00 0.00 N ATOM 1290 CA ARG A 94 -6.060 -4.496 8.153 1.00 0.00 C ATOM 1291 C ARG A 94 -4.816 -5.228 7.648 1.00 0.00 C ATOM 1292 O ARG A 94 -4.893 -6.015 6.706 1.00 0.00 O ATOM 1293 CB ARG A 94 -7.130 -5.523 8.531 1.00 0.00 C ATOM 1294 CG ARG A 94 -7.321 -5.582 10.049 1.00 0.00 C ATOM 1295 CD ARG A 94 -8.607 -6.327 10.411 1.00 0.00 C ATOM 1296 NE ARG A 94 -8.292 -7.715 10.817 1.00 0.00 N ATOM 1297 CZ ARG A 94 -9.201 -8.595 11.257 1.00 0.00 C ATOM 1298 NH1 ARG A 94 -10.488 -8.235 11.352 1.00 0.00 N ATOM 1299 NH2 ARG A 94 -8.824 -9.832 11.603 1.00 0.00 N ATOM 0 H ARG A 94 -6.999 -4.026 6.340 1.00 0.00 H new ATOM 0 HA ARG A 94 -5.806 -3.910 9.036 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -8.074 -5.263 8.052 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -6.843 -6.506 8.158 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -6.467 -6.080 10.508 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -7.356 -4.571 10.454 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -9.120 -5.810 11.222 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -9.285 -6.334 9.558 1.00 0.00 H new ATOM 0 HE ARG A 94 -7.321 -8.021 10.758 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -10.774 -7.292 11.089 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -11.181 -8.904 11.687 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -7.844 -10.105 11.532 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -9.517 -10.501 11.938 1.00 0.00 H new ATOM 1310 N VAL A 95 -3.696 -4.943 8.297 1.00 0.00 N ATOM 1311 CA VAL A 95 -2.436 -5.565 7.926 1.00 0.00 C ATOM 1312 C VAL A 95 -1.987 -6.507 9.044 1.00 0.00 C ATOM 1313 O VAL A 95 -2.517 -6.455 10.153 1.00 0.00 O ATOM 1314 CB VAL A 95 -1.399 -4.489 7.597 1.00 0.00 C ATOM 1315 CG1 VAL A 95 -1.871 -3.607 6.440 1.00 0.00 C ATOM 1316 CG2 VAL A 95 -1.074 -3.646 8.832 1.00 0.00 C ATOM 0 H VAL A 95 -3.635 -4.289 9.078 1.00 0.00 H new ATOM 0 HA VAL A 95 -2.558 -6.167 7.025 1.00 0.00 H new ATOM 0 HB VAL A 95 -0.484 -4.991 7.283 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -1.115 -2.851 6.227 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -2.028 -4.222 5.554 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -2.806 -3.118 6.713 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -0.335 -2.889 8.571 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -1.981 -3.159 9.189 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -0.674 -4.289 9.616 1.00 0.00 H new ATOM 1326 N ARG A 96 -1.016 -7.345 8.714 1.00 0.00 N ATOM 1327 CA ARG A 96 -0.490 -8.297 9.678 1.00 0.00 C ATOM 1328 C ARG A 96 0.942 -8.689 9.309 1.00 0.00 C ATOM 1329 O ARG A 96 1.213 -9.063 8.169 1.00 0.00 O ATOM 1330 CB ARG A 96 -1.358 -9.556 9.738 1.00 0.00 C ATOM 1331 CG ARG A 96 -0.824 -10.540 10.780 1.00 0.00 C ATOM 1332 CD ARG A 96 -1.561 -11.878 10.699 1.00 0.00 C ATOM 1333 NE ARG A 96 -0.587 -12.993 10.680 1.00 0.00 N ATOM 1334 CZ ARG A 96 -0.898 -14.256 10.361 1.00 0.00 C ATOM 1335 NH1 ARG A 96 -2.158 -14.574 10.034 1.00 0.00 N ATOM 1336 NH2 ARG A 96 0.051 -15.203 10.370 1.00 0.00 N ATOM 0 H ARG A 96 -0.580 -7.385 7.793 1.00 0.00 H new ATOM 0 HA ARG A 96 -0.498 -7.818 10.657 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -2.385 -9.283 9.983 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -1.380 -10.034 8.759 1.00 0.00 H new ATOM 0 HG2 ARG A 96 0.243 -10.698 10.623 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -0.940 -10.117 11.778 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -2.232 -11.985 11.551 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -2.179 -11.909 9.801 1.00 0.00 H new ATOM 0 HE ARG A 96 0.381 -12.786 10.925 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -2.881 -13.854 10.028 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -2.395 -15.536 9.791 1.00 0.00 H new ATOM 0 HH21 ARG A 96 1.010 -14.962 10.620 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -0.186 -16.165 10.127 1.00 0.00 H new ATOM 1347 N PHE A 97 1.821 -8.592 10.295 1.00 0.00 N ATOM 1348 CA PHE A 97 3.219 -8.932 10.087 1.00 0.00 C ATOM 1349 C PHE A 97 3.356 -10.151 9.172 1.00 0.00 C ATOM 1350 O PHE A 97 2.861 -11.230 9.491 1.00 0.00 O ATOM 1351 CB PHE A 97 3.804 -9.271 11.460 1.00 0.00 C ATOM 1352 CG PHE A 97 3.458 -10.676 11.954 1.00 0.00 C ATOM 1353 CD1 PHE A 97 2.174 -10.984 12.282 1.00 0.00 C ATOM 1354 CD2 PHE A 97 4.432 -11.618 12.067 1.00 0.00 C ATOM 1355 CE1 PHE A 97 1.853 -12.289 12.742 1.00 0.00 C ATOM 1356 CE2 PHE A 97 4.111 -12.922 12.526 1.00 0.00 C ATOM 1357 CZ PHE A 97 2.828 -13.231 12.854 1.00 0.00 C ATOM 0 H PHE A 97 1.593 -8.283 11.240 1.00 0.00 H new ATOM 0 HA PHE A 97 3.740 -8.098 9.617 1.00 0.00 H new ATOM 0 HB2 PHE A 97 4.888 -9.169 11.417 1.00 0.00 H new ATOM 0 HB3 PHE A 97 3.444 -8.543 12.187 1.00 0.00 H new ATOM 0 HD1 PHE A 97 1.399 -10.237 12.193 1.00 0.00 H new ATOM 0 HD2 PHE A 97 5.451 -11.374 11.807 1.00 0.00 H new ATOM 0 HE1 PHE A 97 0.834 -12.534 13.003 1.00 0.00 H new ATOM 0 HE2 PHE A 97 4.886 -13.669 12.615 1.00 0.00 H new ATOM 0 HZ PHE A 97 2.583 -14.223 13.203 1.00 0.00 H new