USER MOD reduce.3.24.130724 H: found=0, std=0, add=553, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 548 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 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 157:sc= 0.128 (180deg=0.0258) USER MOD Single : A 3 SER OG : rot 180:sc= 0.0209 USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 8 HIS : no HD1:sc= -0.593 K(o=-0.59,f=-1.7) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ -162:sc= -0.0875 (180deg=-0.404) USER MOD Single : A 21 SER OG : rot 5:sc= -0.481 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot -64:sc= 0.645 USER MOD Single : A 36 HIS : no HD1:sc= -0.29 X(o=-0.29,f=-0.29) USER MOD Single : A 40 LYS NZ :NH3+ -159:sc= -0.0454 (180deg=-0.315) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -0.0124 K(o=-0.012,f=-1.1) USER MOD Single : A 61 TYR OH : rot 120:sc= -0.511 USER MOD Single : A 64 HIS : no HD1:sc= -1.21 K(o=-1.2,f=-3) USER MOD Single : A 65 ASN : amide:sc= -0.0109 X(o=-0.011,f=-0.011) USER MOD Single : A 66 TYR OH : rot -129:sc= 0.584 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.785 -1.536 -18.397 1.00 0.00 N ATOM 2 CA MET A 1 -3.591 -1.919 -17.653 1.00 0.00 C ATOM 3 C MET A 1 -3.958 -2.437 -16.266 1.00 0.00 C ATOM 4 O MET A 1 -4.131 -1.659 -15.328 1.00 0.00 O ATOM 5 CB MET A 1 -2.637 -0.729 -17.530 1.00 0.00 C ATOM 6 CG MET A 1 -1.689 -0.586 -18.710 1.00 0.00 C ATOM 7 SD MET A 1 -2.406 0.363 -20.065 1.00 0.00 S ATOM 8 CE MET A 1 -1.929 -0.641 -21.470 1.00 0.00 C ATOM 0 H1 MET A 1 -4.528 -0.852 -19.137 1.00 0.00 H new ATOM 0 H2 MET A 1 -5.206 -2.380 -18.836 1.00 0.00 H new ATOM 0 H3 MET A 1 -5.474 -1.103 -17.749 1.00 0.00 H new ATOM 0 HA MET A 1 -3.093 -2.719 -18.200 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.221 0.186 -17.431 1.00 0.00 H new ATOM 0 HB3 MET A 1 -2.053 -0.835 -16.616 1.00 0.00 H new ATOM 0 HG2 MET A 1 -0.771 -0.101 -18.377 1.00 0.00 H new ATOM 0 HG3 MET A 1 -1.413 -1.577 -19.071 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.301 -0.184 -22.387 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.842 -0.712 -21.514 1.00 0.00 H new ATOM 0 HE3 MET A 1 -2.353 -1.639 -21.365 1.00 0.00 H new ATOM 18 N VAL A 2 -4.075 -3.756 -16.144 1.00 0.00 N ATOM 19 CA VAL A 2 -4.420 -4.378 -14.871 1.00 0.00 C ATOM 20 C VAL A 2 -4.268 -5.893 -14.940 1.00 0.00 C ATOM 21 O VAL A 2 -4.513 -6.505 -15.980 1.00 0.00 O ATOM 22 CB VAL A 2 -5.863 -4.036 -14.453 1.00 0.00 C ATOM 23 CG1 VAL A 2 -6.854 -4.549 -15.486 1.00 0.00 C ATOM 24 CG2 VAL A 2 -6.168 -4.611 -13.078 1.00 0.00 C ATOM 0 H VAL A 2 -3.936 -4.414 -16.911 1.00 0.00 H new ATOM 0 HA VAL A 2 -3.730 -3.981 -14.127 1.00 0.00 H new ATOM 0 HB VAL A 2 -5.961 -2.952 -14.399 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -7.868 -4.298 -15.174 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -6.646 -4.086 -16.451 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -6.759 -5.631 -15.575 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -7.191 -4.360 -12.798 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -6.054 -5.695 -13.103 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -5.478 -4.190 -12.347 1.00 0.00 H new ATOM 34 N SER A 3 -3.862 -6.493 -13.826 1.00 0.00 N ATOM 35 CA SER A 3 -3.673 -7.938 -13.761 1.00 0.00 C ATOM 36 C SER A 3 -4.168 -8.490 -12.428 1.00 0.00 C ATOM 37 O SER A 3 -3.936 -7.899 -11.373 1.00 0.00 O ATOM 38 CB SER A 3 -2.197 -8.290 -13.956 1.00 0.00 C ATOM 39 OG SER A 3 -1.929 -9.616 -13.534 1.00 0.00 O ATOM 0 H SER A 3 -3.658 -6.001 -12.956 1.00 0.00 H new ATOM 0 HA SER A 3 -4.256 -8.393 -14.562 1.00 0.00 H new ATOM 0 HB2 SER A 3 -1.929 -8.178 -15.007 1.00 0.00 H new ATOM 0 HB3 SER A 3 -1.576 -7.593 -13.393 1.00 0.00 H new ATOM 0 HG SER A 3 -0.980 -9.817 -13.670 1.00 0.00 H new ATOM 45 N ARG A 4 -4.851 -9.629 -12.484 1.00 0.00 N ATOM 46 CA ARG A 4 -5.380 -10.262 -11.282 1.00 0.00 C ATOM 47 C ARG A 4 -4.250 -10.785 -10.400 1.00 0.00 C ATOM 48 O ARG A 4 -4.395 -10.885 -9.181 1.00 0.00 O ATOM 49 CB ARG A 4 -6.321 -11.409 -11.656 1.00 0.00 C ATOM 50 CG ARG A 4 -7.498 -10.975 -12.515 1.00 0.00 C ATOM 51 CD ARG A 4 -8.393 -9.992 -11.777 1.00 0.00 C ATOM 52 NE ARG A 4 -8.834 -10.515 -10.487 1.00 0.00 N ATOM 53 CZ ARG A 4 -9.336 -9.756 -9.519 1.00 0.00 C ATOM 54 NH1 ARG A 4 -9.460 -8.448 -9.695 1.00 0.00 N ATOM 55 NH2 ARG A 4 -9.716 -10.305 -8.373 1.00 0.00 N ATOM 0 H ARG A 4 -5.051 -10.132 -13.349 1.00 0.00 H new ATOM 0 HA ARG A 4 -5.937 -9.511 -10.722 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -5.755 -12.173 -12.189 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -6.698 -11.870 -10.743 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -7.130 -10.516 -13.433 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -8.079 -11.850 -12.807 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -7.855 -9.056 -11.624 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -9.263 -9.762 -12.392 1.00 0.00 H new ATOM 0 HE ARG A 4 -8.752 -11.518 -10.320 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -9.170 -8.022 -10.575 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -9.846 -7.868 -8.950 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -9.623 -11.311 -8.234 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -10.101 -9.721 -7.631 1.00 0.00 H new ATOM 69 N ASP A 5 -3.125 -11.117 -11.024 1.00 0.00 N ATOM 70 CA ASP A 5 -1.970 -11.629 -10.296 1.00 0.00 C ATOM 71 C ASP A 5 -1.230 -10.499 -9.586 1.00 0.00 C ATOM 72 O ASP A 5 -0.590 -10.715 -8.557 1.00 0.00 O ATOM 73 CB ASP A 5 -1.020 -12.356 -11.250 1.00 0.00 C ATOM 74 CG ASP A 5 -0.215 -13.436 -10.554 1.00 0.00 C ATOM 75 OD1 ASP A 5 -0.812 -14.219 -9.785 1.00 0.00 O ATOM 76 OD2 ASP A 5 1.011 -13.499 -10.780 1.00 0.00 O ATOM 0 H ASP A 5 -2.988 -11.041 -12.032 1.00 0.00 H new ATOM 0 HA ASP A 5 -2.328 -12.333 -9.545 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -1.595 -12.802 -12.061 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -0.340 -11.634 -11.701 1.00 0.00 H new ATOM 81 N GLN A 6 -1.323 -9.296 -10.143 1.00 0.00 N ATOM 82 CA GLN A 6 -0.661 -8.133 -9.564 1.00 0.00 C ATOM 83 C GLN A 6 -1.277 -7.771 -8.217 1.00 0.00 C ATOM 84 O GLN A 6 -0.576 -7.358 -7.293 1.00 0.00 O ATOM 85 CB GLN A 6 -0.753 -6.940 -10.517 1.00 0.00 C ATOM 86 CG GLN A 6 0.416 -5.975 -10.398 1.00 0.00 C ATOM 87 CD GLN A 6 0.464 -4.974 -11.535 1.00 0.00 C ATOM 88 OE1 GLN A 6 -0.571 -4.569 -12.065 1.00 0.00 O ATOM 89 NE2 GLN A 6 1.670 -4.570 -11.917 1.00 0.00 N ATOM 0 H GLN A 6 -1.850 -9.101 -10.994 1.00 0.00 H new ATOM 0 HA GLN A 6 0.388 -8.384 -9.408 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -0.807 -7.307 -11.542 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -1.680 -6.401 -10.322 1.00 0.00 H new ATOM 0 HG2 GLN A 6 0.346 -5.440 -9.451 1.00 0.00 H new ATOM 0 HG3 GLN A 6 1.348 -6.540 -10.377 1.00 0.00 H new ATOM 0 HE21 GLN A 6 2.501 -4.932 -11.449 1.00 0.00 H new ATOM 0 HE22 GLN A 6 1.765 -3.898 -12.678 1.00 0.00 H new ATOM 98 N ALA A 7 -2.593 -7.929 -8.112 1.00 0.00 N ATOM 99 CA ALA A 7 -3.303 -7.620 -6.877 1.00 0.00 C ATOM 100 C ALA A 7 -2.853 -8.534 -5.742 1.00 0.00 C ATOM 101 O ALA A 7 -2.792 -8.118 -4.584 1.00 0.00 O ATOM 102 CB ALA A 7 -4.805 -7.739 -7.088 1.00 0.00 C ATOM 0 H ALA A 7 -3.188 -8.269 -8.867 1.00 0.00 H new ATOM 0 HA ALA A 7 -3.066 -6.593 -6.598 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -5.323 -7.506 -6.158 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -5.120 -7.041 -7.864 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -5.050 -8.756 -7.394 1.00 0.00 H new ATOM 108 N HIS A 8 -2.539 -9.780 -6.080 1.00 0.00 N ATOM 109 CA HIS A 8 -2.094 -10.753 -5.088 1.00 0.00 C ATOM 110 C HIS A 8 -0.719 -11.306 -5.449 1.00 0.00 C ATOM 111 O HIS A 8 -0.607 -12.296 -6.174 1.00 0.00 O ATOM 112 CB HIS A 8 -3.104 -11.896 -4.975 1.00 0.00 C ATOM 113 CG HIS A 8 -4.328 -11.538 -4.191 1.00 0.00 C ATOM 114 ND1 HIS A 8 -5.569 -11.367 -4.769 1.00 0.00 N ATOM 115 CD2 HIS A 8 -4.499 -11.320 -2.866 1.00 0.00 C ATOM 116 CE1 HIS A 8 -6.449 -11.058 -3.833 1.00 0.00 C ATOM 117 NE2 HIS A 8 -5.825 -11.024 -2.670 1.00 0.00 N ATOM 0 H HIS A 8 -2.584 -10.140 -7.033 1.00 0.00 H new ATOM 0 HA HIS A 8 -2.021 -10.247 -4.125 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -3.402 -12.207 -5.976 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -2.620 -12.753 -4.506 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -3.734 -11.370 -2.105 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -7.500 -10.866 -3.992 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -6.258 -10.812 -1.771 1.00 0.00 H new ATOM 125 N LEU A 9 0.325 -10.662 -4.940 1.00 0.00 N ATOM 126 CA LEU A 9 1.693 -11.089 -5.210 1.00 0.00 C ATOM 127 C LEU A 9 2.412 -11.461 -3.917 1.00 0.00 C ATOM 128 O LEU A 9 3.639 -11.412 -3.840 1.00 0.00 O ATOM 129 CB LEU A 9 2.461 -9.982 -5.933 1.00 0.00 C ATOM 130 CG LEU A 9 2.111 -8.549 -5.531 1.00 0.00 C ATOM 131 CD1 LEU A 9 2.321 -8.347 -4.038 1.00 0.00 C ATOM 132 CD2 LEU A 9 2.941 -7.553 -6.328 1.00 0.00 C ATOM 0 H LEU A 9 0.250 -9.842 -4.338 1.00 0.00 H new ATOM 0 HA LEU A 9 1.652 -11.971 -5.849 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.527 -10.136 -5.763 1.00 0.00 H new ATOM 0 HB3 LEU A 9 2.291 -10.089 -7.004 1.00 0.00 H new ATOM 0 HG LEU A 9 1.059 -8.376 -5.756 1.00 0.00 H new ATOM 0 HD11 LEU A 9 2.067 -7.321 -3.770 1.00 0.00 H new ATOM 0 HD12 LEU A 9 1.682 -9.035 -3.484 1.00 0.00 H new ATOM 0 HD13 LEU A 9 3.364 -8.539 -3.788 1.00 0.00 H new ATOM 0 HD21 LEU A 9 2.678 -6.538 -6.028 1.00 0.00 H new ATOM 0 HD22 LEU A 9 4.000 -7.725 -6.136 1.00 0.00 H new ATOM 0 HD23 LEU A 9 2.740 -7.681 -7.392 1.00 0.00 H new ATOM 144 N GLY A 10 1.639 -11.834 -2.901 1.00 0.00 N ATOM 145 CA GLY A 10 2.219 -12.210 -1.626 1.00 0.00 C ATOM 146 C GLY A 10 2.263 -11.055 -0.645 1.00 0.00 C ATOM 147 O GLY A 10 3.313 -10.463 -0.396 1.00 0.00 O ATOM 0 H GLY A 10 0.621 -11.882 -2.939 1.00 0.00 H new ATOM 0 HA2 GLY A 10 1.641 -13.027 -1.194 1.00 0.00 H new ATOM 0 HA3 GLY A 10 3.230 -12.585 -1.787 1.00 0.00 H new ATOM 151 N PRO A 11 1.099 -10.718 -0.070 1.00 0.00 N ATOM 152 CA PRO A 11 0.982 -9.623 0.897 1.00 0.00 C ATOM 153 C PRO A 11 1.656 -9.948 2.226 1.00 0.00 C ATOM 154 O PRO A 11 2.045 -11.090 2.473 1.00 0.00 O ATOM 155 CB PRO A 11 -0.530 -9.477 1.087 1.00 0.00 C ATOM 156 CG PRO A 11 -1.085 -10.818 0.752 1.00 0.00 C ATOM 157 CD PRO A 11 -0.193 -11.380 -0.320 1.00 0.00 C ATOM 0 HA PRO A 11 1.471 -8.715 0.545 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -0.775 -9.192 2.110 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -0.938 -8.705 0.434 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -1.097 -11.465 1.629 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -2.114 -10.738 0.401 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -0.110 -12.464 -0.246 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -0.573 -11.157 -1.317 1.00 0.00 H new ATOM 165 N LYS A 12 1.792 -8.938 3.078 1.00 0.00 N ATOM 166 CA LYS A 12 2.417 -9.116 4.383 1.00 0.00 C ATOM 167 C LYS A 12 1.450 -9.767 5.366 1.00 0.00 C ATOM 168 O LYS A 12 0.255 -9.883 5.092 1.00 0.00 O ATOM 169 CB LYS A 12 2.891 -7.769 4.933 1.00 0.00 C ATOM 170 CG LYS A 12 1.876 -7.090 5.836 1.00 0.00 C ATOM 171 CD LYS A 12 0.573 -6.816 5.104 1.00 0.00 C ATOM 172 CE LYS A 12 -0.083 -5.534 5.593 1.00 0.00 C ATOM 173 NZ LYS A 12 -1.084 -5.016 4.620 1.00 0.00 N ATOM 0 H LYS A 12 1.477 -7.987 2.888 1.00 0.00 H new ATOM 0 HA LYS A 12 3.277 -9.773 4.259 1.00 0.00 H new ATOM 0 HB2 LYS A 12 3.817 -7.918 5.489 1.00 0.00 H new ATOM 0 HB3 LYS A 12 3.123 -7.107 4.099 1.00 0.00 H new ATOM 0 HG2 LYS A 12 1.681 -7.720 6.704 1.00 0.00 H new ATOM 0 HG3 LYS A 12 2.289 -6.153 6.209 1.00 0.00 H new ATOM 0 HD2 LYS A 12 0.765 -6.742 4.033 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -0.110 -7.653 5.249 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -0.569 -5.718 6.551 1.00 0.00 H new ATOM 0 HE3 LYS A 12 0.682 -4.777 5.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -1.508 -4.142 4.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -0.616 -4.816 3.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -1.828 -5.728 4.476 1.00 0.00 H new ATOM 187 N TYR A 13 1.972 -10.188 6.513 1.00 0.00 N ATOM 188 CA TYR A 13 1.154 -10.827 7.536 1.00 0.00 C ATOM 189 C TYR A 13 1.078 -9.963 8.791 1.00 0.00 C ATOM 190 O TYR A 13 2.058 -9.329 9.184 1.00 0.00 O ATOM 191 CB TYR A 13 1.721 -12.204 7.886 1.00 0.00 C ATOM 192 CG TYR A 13 1.726 -13.170 6.722 1.00 0.00 C ATOM 193 CD1 TYR A 13 2.645 -13.037 5.688 1.00 0.00 C ATOM 194 CD2 TYR A 13 0.812 -14.214 6.656 1.00 0.00 C ATOM 195 CE1 TYR A 13 2.652 -13.917 4.622 1.00 0.00 C ATOM 196 CE2 TYR A 13 0.813 -15.099 5.596 1.00 0.00 C ATOM 197 CZ TYR A 13 1.735 -14.946 4.581 1.00 0.00 C ATOM 198 OH TYR A 13 1.739 -15.825 3.522 1.00 0.00 O ATOM 0 H TYR A 13 2.958 -10.098 6.757 1.00 0.00 H new ATOM 0 HA TYR A 13 0.147 -10.947 7.137 1.00 0.00 H new ATOM 0 HB2 TYR A 13 2.740 -12.085 8.253 1.00 0.00 H new ATOM 0 HB3 TYR A 13 1.137 -12.632 8.700 1.00 0.00 H new ATOM 0 HD1 TYR A 13 3.365 -12.233 5.718 1.00 0.00 H new ATOM 0 HD2 TYR A 13 0.088 -14.336 7.448 1.00 0.00 H new ATOM 0 HE1 TYR A 13 3.372 -13.799 3.826 1.00 0.00 H new ATOM 0 HE2 TYR A 13 0.096 -15.906 5.562 1.00 0.00 H new ATOM 0 HH TYR A 13 1.031 -16.491 3.647 1.00 0.00 H new ATOM 208 N VAL A 14 -0.094 -9.943 9.418 1.00 0.00 N ATOM 209 CA VAL A 14 -0.300 -9.159 10.630 1.00 0.00 C ATOM 210 C VAL A 14 -1.199 -9.897 11.616 1.00 0.00 C ATOM 211 O VAL A 14 -2.078 -10.660 11.219 1.00 0.00 O ATOM 212 CB VAL A 14 -0.923 -7.787 10.311 1.00 0.00 C ATOM 213 CG1 VAL A 14 -2.442 -7.875 10.320 1.00 0.00 C ATOM 214 CG2 VAL A 14 -0.436 -6.738 11.300 1.00 0.00 C ATOM 0 H VAL A 14 -0.916 -10.461 9.106 1.00 0.00 H new ATOM 0 HA VAL A 14 0.681 -9.008 11.081 1.00 0.00 H new ATOM 0 HB VAL A 14 -0.606 -7.487 9.312 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -2.865 -6.896 10.093 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -2.769 -8.595 9.570 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -2.782 -8.197 11.304 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -0.886 -5.775 11.060 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.722 -7.030 12.310 1.00 0.00 H new ATOM 0 HG23 VAL A 14 0.649 -6.657 11.239 1.00 0.00 H new ATOM 224 N GLY A 15 -0.972 -9.662 12.905 1.00 0.00 N ATOM 225 CA GLY A 15 -1.769 -10.312 13.928 1.00 0.00 C ATOM 226 C GLY A 15 -0.967 -10.630 15.174 1.00 0.00 C ATOM 227 O GLY A 15 -0.899 -11.784 15.600 1.00 0.00 O ATOM 0 H GLY A 15 -0.251 -9.033 13.258 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -2.608 -9.669 14.194 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -2.189 -11.234 13.525 1.00 0.00 H new ATOM 231 N LEU A 16 -0.355 -9.606 15.759 1.00 0.00 N ATOM 232 CA LEU A 16 0.449 -9.782 16.964 1.00 0.00 C ATOM 233 C LEU A 16 0.096 -8.733 18.013 1.00 0.00 C ATOM 234 O LEU A 16 0.822 -7.756 18.197 1.00 0.00 O ATOM 235 CB LEU A 16 1.938 -9.698 16.623 1.00 0.00 C ATOM 236 CG LEU A 16 2.612 -11.013 16.229 1.00 0.00 C ATOM 237 CD1 LEU A 16 2.550 -12.009 17.377 1.00 0.00 C ATOM 238 CD2 LEU A 16 1.962 -11.593 14.982 1.00 0.00 C ATOM 0 H LEU A 16 -0.400 -8.645 15.419 1.00 0.00 H new ATOM 0 HA LEU A 16 0.231 -10.767 17.376 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.063 -8.989 15.804 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.465 -9.287 17.484 1.00 0.00 H new ATOM 0 HG LEU A 16 3.660 -10.810 16.007 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.034 -12.939 17.079 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.062 -11.595 18.246 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.509 -12.208 17.631 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.455 -12.528 14.717 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.906 -11.781 15.176 1.00 0.00 H new ATOM 0 HD23 LEU A 16 2.059 -10.885 14.159 1.00 0.00 H new ATOM 250 N TRP A 17 -1.021 -8.944 18.699 1.00 0.00 N ATOM 251 CA TRP A 17 -1.470 -8.017 19.732 1.00 0.00 C ATOM 252 C TRP A 17 -0.315 -7.618 20.644 1.00 0.00 C ATOM 253 O TRP A 17 0.711 -8.297 20.696 1.00 0.00 O ATOM 254 CB TRP A 17 -2.593 -8.645 20.557 1.00 0.00 C ATOM 255 CG TRP A 17 -3.475 -7.635 21.227 1.00 0.00 C ATOM 256 CD1 TRP A 17 -3.548 -7.370 22.565 1.00 0.00 C ATOM 257 CD2 TRP A 17 -4.410 -6.757 20.591 1.00 0.00 C ATOM 258 NE1 TRP A 17 -4.472 -6.381 22.798 1.00 0.00 N ATOM 259 CE2 TRP A 17 -5.014 -5.987 21.604 1.00 0.00 C ATOM 260 CE3 TRP A 17 -4.793 -6.545 19.264 1.00 0.00 C ATOM 261 CZ2 TRP A 17 -5.981 -5.023 21.329 1.00 0.00 C ATOM 262 CZ3 TRP A 17 -5.753 -5.588 18.993 1.00 0.00 C ATOM 263 CH2 TRP A 17 -6.337 -4.837 20.021 1.00 0.00 C ATOM 0 H TRP A 17 -1.633 -9.748 18.559 1.00 0.00 H new ATOM 0 HA TRP A 17 -1.848 -7.120 19.241 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -3.202 -9.275 19.908 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -2.157 -9.296 21.315 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -2.965 -7.865 23.327 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -4.715 -6.001 23.713 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -4.347 -7.118 18.465 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -6.434 -4.443 22.120 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -6.058 -5.416 17.971 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -7.084 -4.096 19.776 1.00 0.00 H new ATOM 274 N ASP A 18 -0.487 -6.513 21.361 1.00 0.00 N ATOM 275 CA ASP A 18 0.541 -6.025 22.273 1.00 0.00 C ATOM 276 C ASP A 18 1.103 -7.163 23.118 1.00 0.00 C ATOM 277 O ASP A 18 0.467 -7.618 24.068 1.00 0.00 O ATOM 278 CB ASP A 18 -0.028 -4.933 23.180 1.00 0.00 C ATOM 279 CG ASP A 18 1.056 -4.131 23.872 1.00 0.00 C ATOM 280 OD1 ASP A 18 2.242 -4.310 23.522 1.00 0.00 O ATOM 281 OD2 ASP A 18 0.720 -3.323 24.762 1.00 0.00 O ATOM 0 H ASP A 18 -1.329 -5.938 21.328 1.00 0.00 H new ATOM 0 HA ASP A 18 1.351 -5.605 21.676 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -0.651 -4.262 22.589 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -0.674 -5.388 23.931 1.00 0.00 H new ATOM 286 N PHE A 19 2.300 -7.620 22.764 1.00 0.00 N ATOM 287 CA PHE A 19 2.948 -8.707 23.489 1.00 0.00 C ATOM 288 C PHE A 19 4.466 -8.557 23.452 1.00 0.00 C ATOM 289 O PHE A 19 5.075 -8.550 22.382 1.00 0.00 O ATOM 290 CB PHE A 19 2.544 -10.057 22.893 1.00 0.00 C ATOM 291 CG PHE A 19 2.461 -11.160 23.909 1.00 0.00 C ATOM 292 CD1 PHE A 19 3.613 -11.746 24.410 1.00 0.00 C ATOM 293 CD2 PHE A 19 1.233 -11.611 24.364 1.00 0.00 C ATOM 294 CE1 PHE A 19 3.540 -12.762 25.345 1.00 0.00 C ATOM 295 CE2 PHE A 19 1.154 -12.626 25.299 1.00 0.00 C ATOM 296 CZ PHE A 19 2.309 -13.201 25.791 1.00 0.00 C ATOM 0 H PHE A 19 2.841 -7.255 21.980 1.00 0.00 H new ATOM 0 HA PHE A 19 2.621 -8.663 24.528 1.00 0.00 H new ATOM 0 HB2 PHE A 19 1.577 -9.953 22.401 1.00 0.00 H new ATOM 0 HB3 PHE A 19 3.264 -10.336 22.124 1.00 0.00 H new ATOM 0 HD1 PHE A 19 4.578 -11.405 24.066 1.00 0.00 H new ATOM 0 HD2 PHE A 19 0.326 -11.164 23.984 1.00 0.00 H new ATOM 0 HE1 PHE A 19 4.445 -13.212 25.726 1.00 0.00 H new ATOM 0 HE2 PHE A 19 0.190 -12.969 25.644 1.00 0.00 H new ATOM 0 HZ PHE A 19 2.250 -13.993 26.523 1.00 0.00 H new ATOM 306 N LYS A 20 5.071 -8.436 24.629 1.00 0.00 N ATOM 307 CA LYS A 20 6.518 -8.286 24.734 1.00 0.00 C ATOM 308 C LYS A 20 7.131 -9.450 25.506 1.00 0.00 C ATOM 309 O LYS A 20 6.861 -9.629 26.694 1.00 0.00 O ATOM 310 CB LYS A 20 6.866 -6.964 25.421 1.00 0.00 C ATOM 311 CG LYS A 20 6.774 -5.758 24.502 1.00 0.00 C ATOM 312 CD LYS A 20 5.503 -4.964 24.749 1.00 0.00 C ATOM 313 CE LYS A 20 5.450 -3.713 23.885 1.00 0.00 C ATOM 314 NZ LYS A 20 6.603 -2.808 24.150 1.00 0.00 N ATOM 0 H LYS A 20 4.582 -8.439 25.524 1.00 0.00 H new ATOM 0 HA LYS A 20 6.932 -8.284 23.726 1.00 0.00 H new ATOM 0 HB2 LYS A 20 6.196 -6.817 26.268 1.00 0.00 H new ATOM 0 HB3 LYS A 20 7.877 -7.028 25.822 1.00 0.00 H new ATOM 0 HG2 LYS A 20 7.641 -5.115 24.656 1.00 0.00 H new ATOM 0 HG3 LYS A 20 6.802 -6.088 23.464 1.00 0.00 H new ATOM 0 HD2 LYS A 20 4.635 -5.590 24.539 1.00 0.00 H new ATOM 0 HD3 LYS A 20 5.447 -4.684 25.801 1.00 0.00 H new ATOM 0 HE2 LYS A 20 5.446 -3.998 22.833 1.00 0.00 H new ATOM 0 HE3 LYS A 20 4.518 -3.180 24.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 6.387 -1.857 23.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 6.778 -2.759 25.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 7.450 -3.176 23.672 1.00 0.00 H new ATOM 328 N SER A 21 7.957 -10.237 24.825 1.00 0.00 N ATOM 329 CA SER A 21 8.606 -11.385 25.447 1.00 0.00 C ATOM 330 C SER A 21 10.091 -11.114 25.670 1.00 0.00 C ATOM 331 O SER A 21 10.576 -10.011 25.419 1.00 0.00 O ATOM 332 CB SER A 21 8.428 -12.632 24.579 1.00 0.00 C ATOM 333 OG SER A 21 7.075 -13.053 24.562 1.00 0.00 O ATOM 0 H SER A 21 8.193 -10.101 23.842 1.00 0.00 H new ATOM 0 HA SER A 21 8.136 -11.556 26.415 1.00 0.00 H new ATOM 0 HB2 SER A 21 8.759 -12.421 23.562 1.00 0.00 H new ATOM 0 HB3 SER A 21 9.058 -13.436 24.959 1.00 0.00 H new ATOM 0 HG SER A 21 6.524 -12.403 25.046 1.00 0.00 H new ATOM 339 N ARG A 22 10.806 -12.130 26.143 1.00 0.00 N ATOM 340 CA ARG A 22 12.235 -12.002 26.402 1.00 0.00 C ATOM 341 C ARG A 22 13.008 -13.152 25.762 1.00 0.00 C ATOM 342 O ARG A 22 14.098 -13.508 26.210 1.00 0.00 O ATOM 343 CB ARG A 22 12.502 -11.970 27.908 1.00 0.00 C ATOM 344 CG ARG A 22 11.746 -10.872 28.637 1.00 0.00 C ATOM 345 CD ARG A 22 11.403 -11.282 30.060 1.00 0.00 C ATOM 346 NE ARG A 22 11.474 -10.155 30.987 1.00 0.00 N ATOM 347 CZ ARG A 22 11.125 -10.233 32.266 1.00 0.00 C ATOM 348 NH1 ARG A 22 10.683 -11.378 32.768 1.00 0.00 N ATOM 349 NH2 ARG A 22 11.217 -9.163 33.046 1.00 0.00 N ATOM 0 H ARG A 22 10.419 -13.050 26.354 1.00 0.00 H new ATOM 0 HA ARG A 22 12.576 -11.066 25.960 1.00 0.00 H new ATOM 0 HB2 ARG A 22 12.229 -12.934 28.337 1.00 0.00 H new ATOM 0 HB3 ARG A 22 13.571 -11.837 28.076 1.00 0.00 H new ATOM 0 HG2 ARG A 22 12.348 -9.964 28.654 1.00 0.00 H new ATOM 0 HG3 ARG A 22 10.830 -10.637 28.094 1.00 0.00 H new ATOM 0 HD2 ARG A 22 10.400 -11.707 30.083 1.00 0.00 H new ATOM 0 HD3 ARG A 22 12.088 -12.064 30.387 1.00 0.00 H new ATOM 0 HE ARG A 22 11.810 -9.259 30.633 1.00 0.00 H new ATOM 0 HH11 ARG A 22 10.610 -12.202 32.171 1.00 0.00 H new ATOM 0 HH12 ARG A 22 10.416 -11.435 33.751 1.00 0.00 H new ATOM 0 HH21 ARG A 22 11.556 -8.280 32.663 1.00 0.00 H new ATOM 0 HH22 ARG A 22 10.949 -9.223 34.028 1.00 0.00 H new ATOM 363 N THR A 23 12.436 -13.730 24.710 1.00 0.00 N ATOM 364 CA THR A 23 13.069 -14.840 24.009 1.00 0.00 C ATOM 365 C THR A 23 12.746 -14.806 22.520 1.00 0.00 C ATOM 366 O THR A 23 11.711 -14.280 22.111 1.00 0.00 O ATOM 367 CB THR A 23 12.625 -16.196 24.588 1.00 0.00 C ATOM 368 OG1 THR A 23 11.216 -16.183 24.842 1.00 0.00 O ATOM 369 CG2 THR A 23 13.375 -16.507 25.875 1.00 0.00 C ATOM 0 H THR A 23 11.535 -13.447 24.325 1.00 0.00 H new ATOM 0 HA THR A 23 14.144 -14.729 24.147 1.00 0.00 H new ATOM 0 HB THR A 23 12.854 -16.971 23.856 1.00 0.00 H new ATOM 0 HG1 THR A 23 10.942 -17.050 25.208 1.00 0.00 H new ATOM 0 HG21 THR A 23 13.044 -17.470 26.265 1.00 0.00 H new ATOM 0 HG22 THR A 23 14.445 -16.546 25.672 1.00 0.00 H new ATOM 0 HG23 THR A 23 13.173 -15.729 26.611 1.00 0.00 H new ATOM 377 N ASP A 24 13.638 -15.369 21.713 1.00 0.00 N ATOM 378 CA ASP A 24 13.447 -15.405 20.268 1.00 0.00 C ATOM 379 C ASP A 24 12.142 -16.109 19.909 1.00 0.00 C ATOM 380 O ASP A 24 11.582 -15.889 18.836 1.00 0.00 O ATOM 381 CB ASP A 24 14.624 -16.112 19.593 1.00 0.00 C ATOM 382 CG ASP A 24 15.962 -15.539 20.016 1.00 0.00 C ATOM 383 OD1 ASP A 24 16.062 -14.301 20.152 1.00 0.00 O ATOM 384 OD2 ASP A 24 16.909 -16.328 20.212 1.00 0.00 O ATOM 0 H ASP A 24 14.501 -15.807 22.035 1.00 0.00 H new ATOM 0 HA ASP A 24 13.396 -14.377 19.908 1.00 0.00 H new ATOM 0 HB2 ASP A 24 14.594 -17.174 19.836 1.00 0.00 H new ATOM 0 HB3 ASP A 24 14.522 -16.029 18.511 1.00 0.00 H new ATOM 389 N GLU A 25 11.664 -16.956 20.816 1.00 0.00 N ATOM 390 CA GLU A 25 10.425 -17.693 20.593 1.00 0.00 C ATOM 391 C GLU A 25 9.252 -16.738 20.393 1.00 0.00 C ATOM 392 O GLU A 25 8.220 -17.115 19.839 1.00 0.00 O ATOM 393 CB GLU A 25 10.142 -18.626 21.773 1.00 0.00 C ATOM 394 CG GLU A 25 11.297 -19.556 22.104 1.00 0.00 C ATOM 395 CD GLU A 25 10.996 -21.003 21.767 1.00 0.00 C ATOM 396 OE1 GLU A 25 10.094 -21.585 22.407 1.00 0.00 O ATOM 397 OE2 GLU A 25 11.660 -21.554 20.865 1.00 0.00 O ATOM 0 H GLU A 25 12.115 -17.149 21.710 1.00 0.00 H new ATOM 0 HA GLU A 25 10.544 -18.289 19.688 1.00 0.00 H new ATOM 0 HB2 GLU A 25 9.907 -18.026 22.652 1.00 0.00 H new ATOM 0 HB3 GLU A 25 9.258 -19.223 21.549 1.00 0.00 H new ATOM 0 HG2 GLU A 25 12.184 -19.236 21.557 1.00 0.00 H new ATOM 0 HG3 GLU A 25 11.531 -19.475 23.166 1.00 0.00 H new ATOM 404 N GLU A 26 9.420 -15.500 20.848 1.00 0.00 N ATOM 405 CA GLU A 26 8.374 -14.492 20.720 1.00 0.00 C ATOM 406 C GLU A 26 8.967 -13.139 20.334 1.00 0.00 C ATOM 407 O GLU A 26 10.149 -12.878 20.564 1.00 0.00 O ATOM 408 CB GLU A 26 7.595 -14.364 22.030 1.00 0.00 C ATOM 409 CG GLU A 26 6.413 -15.314 22.130 1.00 0.00 C ATOM 410 CD GLU A 26 5.157 -14.632 22.636 1.00 0.00 C ATOM 411 OE1 GLU A 26 4.644 -13.737 21.931 1.00 0.00 O ATOM 412 OE2 GLU A 26 4.687 -14.992 23.735 1.00 0.00 O ATOM 0 H GLU A 26 10.269 -15.172 21.308 1.00 0.00 H new ATOM 0 HA GLU A 26 7.693 -14.810 19.931 1.00 0.00 H new ATOM 0 HB2 GLU A 26 8.271 -14.549 22.865 1.00 0.00 H new ATOM 0 HB3 GLU A 26 7.237 -13.340 22.131 1.00 0.00 H new ATOM 0 HG2 GLU A 26 6.216 -15.748 21.150 1.00 0.00 H new ATOM 0 HG3 GLU A 26 6.669 -16.137 22.797 1.00 0.00 H new ATOM 419 N LEU A 27 8.139 -12.283 19.746 1.00 0.00 N ATOM 420 CA LEU A 27 8.580 -10.957 19.328 1.00 0.00 C ATOM 421 C LEU A 27 8.197 -9.904 20.362 1.00 0.00 C ATOM 422 O LEU A 27 7.270 -10.100 21.149 1.00 0.00 O ATOM 423 CB LEU A 27 7.971 -10.600 17.971 1.00 0.00 C ATOM 424 CG LEU A 27 8.309 -11.543 16.815 1.00 0.00 C ATOM 425 CD1 LEU A 27 7.257 -12.635 16.693 1.00 0.00 C ATOM 426 CD2 LEU A 27 8.429 -10.767 15.511 1.00 0.00 C ATOM 0 H LEU A 27 7.159 -12.483 19.548 1.00 0.00 H new ATOM 0 HA LEU A 27 9.666 -10.974 19.239 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.887 -10.565 18.080 1.00 0.00 H new ATOM 0 HB3 LEU A 27 8.297 -9.596 17.702 1.00 0.00 H new ATOM 0 HG LEU A 27 9.270 -12.014 17.024 1.00 0.00 H new ATOM 0 HD11 LEU A 27 7.514 -13.297 15.866 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.220 -13.209 17.619 1.00 0.00 H new ATOM 0 HD13 LEU A 27 6.283 -12.183 16.507 1.00 0.00 H new ATOM 0 HD21 LEU A 27 8.670 -11.454 14.700 1.00 0.00 H new ATOM 0 HD22 LEU A 27 7.484 -10.269 15.296 1.00 0.00 H new ATOM 0 HD23 LEU A 27 9.219 -10.022 15.602 1.00 0.00 H new ATOM 438 N SER A 28 8.915 -8.785 20.355 1.00 0.00 N ATOM 439 CA SER A 28 8.651 -7.701 21.294 1.00 0.00 C ATOM 440 C SER A 28 8.144 -6.461 20.563 1.00 0.00 C ATOM 441 O SER A 28 8.890 -5.506 20.346 1.00 0.00 O ATOM 442 CB SER A 28 9.917 -7.361 22.081 1.00 0.00 C ATOM 443 OG SER A 28 9.791 -6.109 22.734 1.00 0.00 O ATOM 0 H SER A 28 9.684 -8.606 19.709 1.00 0.00 H new ATOM 0 HA SER A 28 7.879 -8.034 21.988 1.00 0.00 H new ATOM 0 HB2 SER A 28 10.112 -8.141 22.817 1.00 0.00 H new ATOM 0 HB3 SER A 28 10.773 -7.338 21.407 1.00 0.00 H new ATOM 0 HG SER A 28 9.706 -5.398 22.065 1.00 0.00 H new ATOM 449 N PHE A 29 6.869 -6.484 20.186 1.00 0.00 N ATOM 450 CA PHE A 29 6.261 -5.363 19.479 1.00 0.00 C ATOM 451 C PHE A 29 4.740 -5.409 19.593 1.00 0.00 C ATOM 452 O PHE A 29 4.164 -6.439 19.943 1.00 0.00 O ATOM 453 CB PHE A 29 6.674 -5.378 18.006 1.00 0.00 C ATOM 454 CG PHE A 29 5.953 -6.415 17.192 1.00 0.00 C ATOM 455 CD1 PHE A 29 6.316 -7.749 17.267 1.00 0.00 C ATOM 456 CD2 PHE A 29 4.913 -6.054 16.351 1.00 0.00 C ATOM 457 CE1 PHE A 29 5.655 -8.706 16.520 1.00 0.00 C ATOM 458 CE2 PHE A 29 4.248 -7.006 15.601 1.00 0.00 C ATOM 459 CZ PHE A 29 4.620 -8.333 15.685 1.00 0.00 C ATOM 0 H PHE A 29 6.238 -7.266 20.358 1.00 0.00 H new ATOM 0 HA PHE A 29 6.614 -4.440 19.939 1.00 0.00 H new ATOM 0 HB2 PHE A 29 6.487 -4.395 17.575 1.00 0.00 H new ATOM 0 HB3 PHE A 29 7.747 -5.557 17.940 1.00 0.00 H new ATOM 0 HD1 PHE A 29 7.126 -8.046 17.917 1.00 0.00 H new ATOM 0 HD2 PHE A 29 4.618 -5.017 16.281 1.00 0.00 H new ATOM 0 HE1 PHE A 29 5.947 -9.743 16.589 1.00 0.00 H new ATOM 0 HE2 PHE A 29 3.438 -6.712 14.950 1.00 0.00 H new ATOM 0 HZ PHE A 29 4.103 -9.078 15.099 1.00 0.00 H new ATOM 469 N ARG A 30 4.097 -4.285 19.296 1.00 0.00 N ATOM 470 CA ARG A 30 2.643 -4.195 19.367 1.00 0.00 C ATOM 471 C ARG A 30 2.014 -4.480 18.007 1.00 0.00 C ATOM 472 O ARG A 30 2.618 -4.223 16.966 1.00 0.00 O ATOM 473 CB ARG A 30 2.220 -2.808 19.856 1.00 0.00 C ATOM 474 CG ARG A 30 2.378 -1.719 18.808 1.00 0.00 C ATOM 475 CD ARG A 30 1.907 -0.371 19.331 1.00 0.00 C ATOM 476 NE ARG A 30 1.962 0.665 18.303 1.00 0.00 N ATOM 477 CZ ARG A 30 1.716 1.949 18.539 1.00 0.00 C ATOM 478 NH1 ARG A 30 1.399 2.353 19.761 1.00 0.00 N ATOM 479 NH2 ARG A 30 1.787 2.832 17.551 1.00 0.00 N ATOM 0 H ARG A 30 4.559 -3.424 19.004 1.00 0.00 H new ATOM 0 HA ARG A 30 2.292 -4.945 20.075 1.00 0.00 H new ATOM 0 HB2 ARG A 30 1.178 -2.846 20.174 1.00 0.00 H new ATOM 0 HB3 ARG A 30 2.811 -2.545 20.733 1.00 0.00 H new ATOM 0 HG2 ARG A 30 3.424 -1.649 18.509 1.00 0.00 H new ATOM 0 HG3 ARG A 30 1.809 -1.984 17.917 1.00 0.00 H new ATOM 0 HD2 ARG A 30 0.885 -0.462 19.699 1.00 0.00 H new ATOM 0 HD3 ARG A 30 2.526 -0.074 20.178 1.00 0.00 H new ATOM 0 HE ARG A 30 2.203 0.387 17.351 1.00 0.00 H new ATOM 0 HH11 ARG A 30 1.343 1.677 20.523 1.00 0.00 H new ATOM 0 HH12 ARG A 30 1.211 3.339 19.939 1.00 0.00 H new ATOM 0 HH21 ARG A 30 2.031 2.525 16.609 1.00 0.00 H new ATOM 0 HH22 ARG A 30 1.598 3.818 17.733 1.00 0.00 H new ATOM 493 N ALA A 31 0.797 -5.014 18.024 1.00 0.00 N ATOM 494 CA ALA A 31 0.085 -5.332 16.792 1.00 0.00 C ATOM 495 C ALA A 31 0.090 -4.147 15.833 1.00 0.00 C ATOM 496 O ALA A 31 0.435 -3.029 16.213 1.00 0.00 O ATOM 497 CB ALA A 31 -1.342 -5.757 17.102 1.00 0.00 C ATOM 0 H ALA A 31 0.284 -5.235 18.877 1.00 0.00 H new ATOM 0 HA ALA A 31 0.602 -6.160 16.307 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -1.862 -5.991 16.173 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -1.328 -6.639 17.742 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -1.860 -4.946 17.613 1.00 0.00 H new ATOM 503 N GLY A 32 -0.294 -4.400 14.585 1.00 0.00 N ATOM 504 CA GLY A 32 -0.326 -3.343 13.590 1.00 0.00 C ATOM 505 C GLY A 32 0.900 -3.349 12.699 1.00 0.00 C ATOM 506 O GLY A 32 0.851 -2.882 11.561 1.00 0.00 O ATOM 0 H GLY A 32 -0.583 -5.317 14.245 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -1.219 -3.454 12.975 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -0.402 -2.378 14.091 1.00 0.00 H new ATOM 510 N ASP A 33 2.003 -3.877 13.218 1.00 0.00 N ATOM 511 CA ASP A 33 3.249 -3.941 12.461 1.00 0.00 C ATOM 512 C ASP A 33 3.127 -4.918 11.296 1.00 0.00 C ATOM 513 O ASP A 33 2.318 -5.845 11.331 1.00 0.00 O ATOM 514 CB ASP A 33 4.403 -4.358 13.373 1.00 0.00 C ATOM 515 CG ASP A 33 5.282 -3.187 13.767 1.00 0.00 C ATOM 516 OD1 ASP A 33 4.822 -2.032 13.645 1.00 0.00 O ATOM 517 OD2 ASP A 33 6.430 -3.425 14.197 1.00 0.00 O ATOM 0 H ASP A 33 2.060 -4.267 14.159 1.00 0.00 H new ATOM 0 HA ASP A 33 3.453 -2.948 12.060 1.00 0.00 H new ATOM 0 HB2 ASP A 33 4.001 -4.825 14.272 1.00 0.00 H new ATOM 0 HB3 ASP A 33 5.009 -5.109 12.867 1.00 0.00 H new ATOM 522 N VAL A 34 3.935 -4.702 10.262 1.00 0.00 N ATOM 523 CA VAL A 34 3.918 -5.563 9.086 1.00 0.00 C ATOM 524 C VAL A 34 5.151 -6.458 9.041 1.00 0.00 C ATOM 525 O VAL A 34 6.262 -6.017 9.340 1.00 0.00 O ATOM 526 CB VAL A 34 3.849 -4.737 7.787 1.00 0.00 C ATOM 527 CG1 VAL A 34 2.502 -4.042 7.667 1.00 0.00 C ATOM 528 CG2 VAL A 34 4.986 -3.728 7.737 1.00 0.00 C ATOM 0 H VAL A 34 4.609 -3.938 10.216 1.00 0.00 H new ATOM 0 HA VAL A 34 3.025 -6.184 9.162 1.00 0.00 H new ATOM 0 HB VAL A 34 3.957 -5.414 6.940 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.472 -3.464 6.744 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.708 -4.788 7.654 1.00 0.00 H new ATOM 0 HG13 VAL A 34 2.360 -3.375 8.517 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.922 -3.153 6.813 1.00 0.00 H new ATOM 0 HG22 VAL A 34 4.912 -3.053 8.590 1.00 0.00 H new ATOM 0 HG23 VAL A 34 5.940 -4.253 7.772 1.00 0.00 H new ATOM 538 N PHE A 35 4.950 -7.716 8.667 1.00 0.00 N ATOM 539 CA PHE A 35 6.046 -8.675 8.583 1.00 0.00 C ATOM 540 C PHE A 35 5.774 -9.719 7.505 1.00 0.00 C ATOM 541 O PHE A 35 4.648 -9.855 7.025 1.00 0.00 O ATOM 542 CB PHE A 35 6.254 -9.362 9.934 1.00 0.00 C ATOM 543 CG PHE A 35 5.051 -9.298 10.831 1.00 0.00 C ATOM 544 CD1 PHE A 35 4.816 -8.182 11.618 1.00 0.00 C ATOM 545 CD2 PHE A 35 4.155 -10.354 10.888 1.00 0.00 C ATOM 546 CE1 PHE A 35 3.709 -8.120 12.444 1.00 0.00 C ATOM 547 CE2 PHE A 35 3.047 -10.297 11.712 1.00 0.00 C ATOM 548 CZ PHE A 35 2.825 -9.179 12.492 1.00 0.00 C ATOM 0 H PHE A 35 4.037 -8.097 8.417 1.00 0.00 H new ATOM 0 HA PHE A 35 6.952 -8.131 8.316 1.00 0.00 H new ATOM 0 HB2 PHE A 35 6.516 -10.406 9.765 1.00 0.00 H new ATOM 0 HB3 PHE A 35 7.101 -8.899 10.441 1.00 0.00 H new ATOM 0 HD1 PHE A 35 5.505 -7.351 11.586 1.00 0.00 H new ATOM 0 HD2 PHE A 35 4.325 -11.231 10.282 1.00 0.00 H new ATOM 0 HE1 PHE A 35 3.536 -7.244 13.051 1.00 0.00 H new ATOM 0 HE2 PHE A 35 2.355 -11.126 11.746 1.00 0.00 H new ATOM 0 HZ PHE A 35 1.961 -9.133 13.138 1.00 0.00 H new ATOM 558 N HIS A 36 6.815 -10.455 7.127 1.00 0.00 N ATOM 559 CA HIS A 36 6.689 -11.488 6.105 1.00 0.00 C ATOM 560 C HIS A 36 7.032 -12.861 6.675 1.00 0.00 C ATOM 561 O HIS A 36 7.684 -12.968 7.714 1.00 0.00 O ATOM 562 CB HIS A 36 7.601 -11.174 4.918 1.00 0.00 C ATOM 563 CG HIS A 36 7.326 -12.019 3.712 1.00 0.00 C ATOM 564 ND1 HIS A 36 8.215 -12.958 3.233 1.00 0.00 N ATOM 565 CD2 HIS A 36 6.254 -12.064 2.888 1.00 0.00 C ATOM 566 CE1 HIS A 36 7.702 -13.543 2.165 1.00 0.00 C ATOM 567 NE2 HIS A 36 6.512 -13.019 1.935 1.00 0.00 N ATOM 0 H HIS A 36 7.754 -10.355 7.513 1.00 0.00 H new ATOM 0 HA HIS A 36 5.654 -11.504 5.765 1.00 0.00 H new ATOM 0 HB2 HIS A 36 7.486 -10.124 4.650 1.00 0.00 H new ATOM 0 HB3 HIS A 36 8.639 -11.314 5.221 1.00 0.00 H new ATOM 0 HD2 HIS A 36 5.361 -11.461 2.965 1.00 0.00 H new ATOM 0 HE1 HIS A 36 8.175 -14.318 1.580 1.00 0.00 H new ATOM 0 HE2 HIS A 36 5.886 -13.281 1.173 1.00 0.00 H new ATOM 575 N VAL A 37 6.587 -13.909 5.990 1.00 0.00 N ATOM 576 CA VAL A 37 6.847 -15.276 6.428 1.00 0.00 C ATOM 577 C VAL A 37 8.063 -15.859 5.717 1.00 0.00 C ATOM 578 O VAL A 37 8.143 -15.845 4.489 1.00 0.00 O ATOM 579 CB VAL A 37 5.631 -16.187 6.174 1.00 0.00 C ATOM 580 CG1 VAL A 37 4.444 -15.741 7.014 1.00 0.00 C ATOM 581 CG2 VAL A 37 5.274 -16.198 4.695 1.00 0.00 C ATOM 0 H VAL A 37 6.044 -13.838 5.129 1.00 0.00 H new ATOM 0 HA VAL A 37 7.042 -15.234 7.499 1.00 0.00 H new ATOM 0 HB VAL A 37 5.892 -17.203 6.469 1.00 0.00 H new ATOM 0 HG11 VAL A 37 3.595 -16.396 6.821 1.00 0.00 H new ATOM 0 HG12 VAL A 37 4.707 -15.790 8.071 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.178 -14.717 6.753 1.00 0.00 H new ATOM 0 HG21 VAL A 37 4.413 -16.846 4.533 1.00 0.00 H new ATOM 0 HG22 VAL A 37 5.032 -15.186 4.372 1.00 0.00 H new ATOM 0 HG23 VAL A 37 6.121 -16.570 4.119 1.00 0.00 H new ATOM 591 N ALA A 38 9.008 -16.373 6.498 1.00 0.00 N ATOM 592 CA ALA A 38 10.219 -16.964 5.943 1.00 0.00 C ATOM 593 C ALA A 38 10.090 -18.480 5.835 1.00 0.00 C ATOM 594 O ALA A 38 10.674 -19.099 4.945 1.00 0.00 O ATOM 595 CB ALA A 38 11.424 -16.594 6.795 1.00 0.00 C ATOM 0 H ALA A 38 8.958 -16.392 7.517 1.00 0.00 H new ATOM 0 HA ALA A 38 10.362 -16.565 4.939 1.00 0.00 H new ATOM 0 HB1 ALA A 38 12.322 -17.042 6.369 1.00 0.00 H new ATOM 0 HB2 ALA A 38 11.535 -15.510 6.817 1.00 0.00 H new ATOM 0 HB3 ALA A 38 11.280 -16.965 7.810 1.00 0.00 H new ATOM 601 N ARG A 39 9.323 -19.070 6.745 1.00 0.00 N ATOM 602 CA ARG A 39 9.120 -20.514 6.753 1.00 0.00 C ATOM 603 C ARG A 39 7.699 -20.861 7.185 1.00 0.00 C ATOM 604 O ARG A 39 7.235 -20.425 8.240 1.00 0.00 O ATOM 605 CB ARG A 39 10.127 -21.188 7.686 1.00 0.00 C ATOM 606 CG ARG A 39 11.419 -21.595 6.997 1.00 0.00 C ATOM 607 CD ARG A 39 11.200 -22.764 6.049 1.00 0.00 C ATOM 608 NE ARG A 39 12.446 -23.208 5.431 1.00 0.00 N ATOM 609 CZ ARG A 39 12.553 -24.318 4.708 1.00 0.00 C ATOM 610 NH1 ARG A 39 11.493 -25.090 4.512 1.00 0.00 N ATOM 611 NH2 ARG A 39 13.721 -24.656 4.178 1.00 0.00 N ATOM 0 H ARG A 39 8.832 -18.571 7.486 1.00 0.00 H new ATOM 0 HA ARG A 39 9.273 -20.882 5.738 1.00 0.00 H new ATOM 0 HB2 ARG A 39 10.361 -20.509 8.506 1.00 0.00 H new ATOM 0 HB3 ARG A 39 9.666 -22.072 8.126 1.00 0.00 H new ATOM 0 HG2 ARG A 39 11.820 -20.746 6.443 1.00 0.00 H new ATOM 0 HG3 ARG A 39 12.162 -21.867 7.746 1.00 0.00 H new ATOM 0 HD2 ARG A 39 10.750 -23.594 6.594 1.00 0.00 H new ATOM 0 HD3 ARG A 39 10.493 -22.473 5.272 1.00 0.00 H new ATOM 0 HE ARG A 39 13.280 -22.635 5.561 1.00 0.00 H new ATOM 0 HH11 ARG A 39 10.593 -24.832 4.916 1.00 0.00 H new ATOM 0 HH12 ARG A 39 11.578 -25.941 3.957 1.00 0.00 H new ATOM 0 HH21 ARG A 39 14.538 -24.064 4.325 1.00 0.00 H new ATOM 0 HH22 ARG A 39 13.802 -25.508 3.623 1.00 0.00 H new ATOM 625 N LYS A 40 7.011 -21.646 6.364 1.00 0.00 N ATOM 626 CA LYS A 40 5.642 -22.053 6.661 1.00 0.00 C ATOM 627 C LYS A 40 5.597 -23.499 7.143 1.00 0.00 C ATOM 628 O LYS A 40 5.803 -24.429 6.365 1.00 0.00 O ATOM 629 CB LYS A 40 4.760 -21.890 5.421 1.00 0.00 C ATOM 630 CG LYS A 40 5.372 -22.471 4.158 1.00 0.00 C ATOM 631 CD LYS A 40 4.316 -23.103 3.266 1.00 0.00 C ATOM 632 CE LYS A 40 4.788 -23.194 1.823 1.00 0.00 C ATOM 633 NZ LYS A 40 4.883 -21.852 1.185 1.00 0.00 N ATOM 0 H LYS A 40 7.379 -22.014 5.487 1.00 0.00 H new ATOM 0 HA LYS A 40 5.263 -21.411 7.456 1.00 0.00 H new ATOM 0 HB2 LYS A 40 3.799 -22.371 5.603 1.00 0.00 H new ATOM 0 HB3 LYS A 40 4.561 -20.830 5.264 1.00 0.00 H new ATOM 0 HG2 LYS A 40 5.890 -21.685 3.609 1.00 0.00 H new ATOM 0 HG3 LYS A 40 6.119 -23.219 4.425 1.00 0.00 H new ATOM 0 HD2 LYS A 40 4.076 -24.100 3.635 1.00 0.00 H new ATOM 0 HD3 LYS A 40 3.399 -22.516 3.314 1.00 0.00 H new ATOM 0 HE2 LYS A 40 5.762 -23.682 1.790 1.00 0.00 H new ATOM 0 HE3 LYS A 40 4.099 -23.819 1.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 4.854 -21.957 0.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 4.085 -21.263 1.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 5.777 -21.398 1.462 1.00 0.00 H new ATOM 647 N GLU A 41 5.324 -23.680 8.432 1.00 0.00 N ATOM 648 CA GLU A 41 5.252 -25.014 9.017 1.00 0.00 C ATOM 649 C GLU A 41 3.815 -25.365 9.394 1.00 0.00 C ATOM 650 O GLU A 41 2.959 -24.488 9.499 1.00 0.00 O ATOM 651 CB GLU A 41 6.151 -25.103 10.252 1.00 0.00 C ATOM 652 CG GLU A 41 7.481 -25.789 9.988 1.00 0.00 C ATOM 653 CD GLU A 41 8.394 -24.970 9.097 1.00 0.00 C ATOM 654 OE1 GLU A 41 8.240 -25.044 7.860 1.00 0.00 O ATOM 655 OE2 GLU A 41 9.262 -24.253 9.637 1.00 0.00 O ATOM 0 H GLU A 41 5.149 -22.920 9.090 1.00 0.00 H new ATOM 0 HA GLU A 41 5.600 -25.729 8.272 1.00 0.00 H new ATOM 0 HB2 GLU A 41 6.339 -24.097 10.628 1.00 0.00 H new ATOM 0 HB3 GLU A 41 5.623 -25.643 11.038 1.00 0.00 H new ATOM 0 HG2 GLU A 41 7.982 -25.980 10.937 1.00 0.00 H new ATOM 0 HG3 GLU A 41 7.300 -26.758 9.523 1.00 0.00 H new ATOM 662 N GLU A 42 3.561 -26.654 9.594 1.00 0.00 N ATOM 663 CA GLU A 42 2.228 -27.122 9.958 1.00 0.00 C ATOM 664 C GLU A 42 1.902 -26.764 11.405 1.00 0.00 C ATOM 665 O GLU A 42 0.735 -26.685 11.787 1.00 0.00 O ATOM 666 CB GLU A 42 2.122 -28.635 9.759 1.00 0.00 C ATOM 667 CG GLU A 42 2.860 -29.441 10.815 1.00 0.00 C ATOM 668 CD GLU A 42 2.700 -30.937 10.625 1.00 0.00 C ATOM 669 OE1 GLU A 42 2.279 -31.354 9.526 1.00 0.00 O ATOM 670 OE2 GLU A 42 2.997 -31.690 11.576 1.00 0.00 O ATOM 0 H GLU A 42 4.260 -27.393 9.510 1.00 0.00 H new ATOM 0 HA GLU A 42 1.507 -26.626 9.308 1.00 0.00 H new ATOM 0 HB2 GLU A 42 1.070 -28.921 9.765 1.00 0.00 H new ATOM 0 HB3 GLU A 42 2.517 -28.892 8.776 1.00 0.00 H new ATOM 0 HG2 GLU A 42 3.919 -29.186 10.786 1.00 0.00 H new ATOM 0 HG3 GLU A 42 2.492 -29.163 11.802 1.00 0.00 H new ATOM 677 N GLN A 43 2.942 -26.548 12.204 1.00 0.00 N ATOM 678 CA GLN A 43 2.766 -26.200 13.609 1.00 0.00 C ATOM 679 C GLN A 43 2.667 -24.689 13.787 1.00 0.00 C ATOM 680 O GLN A 43 1.584 -24.152 14.023 1.00 0.00 O ATOM 681 CB GLN A 43 3.927 -26.748 14.441 1.00 0.00 C ATOM 682 CG GLN A 43 4.005 -28.266 14.452 1.00 0.00 C ATOM 683 CD GLN A 43 4.628 -28.810 15.722 1.00 0.00 C ATOM 684 OE1 GLN A 43 5.827 -28.656 15.954 1.00 0.00 O ATOM 685 NE2 GLN A 43 3.814 -29.450 16.554 1.00 0.00 N ATOM 0 H GLN A 43 3.915 -26.608 11.903 1.00 0.00 H new ATOM 0 HA GLN A 43 1.836 -26.650 13.955 1.00 0.00 H new ATOM 0 HB2 GLN A 43 4.863 -26.347 14.052 1.00 0.00 H new ATOM 0 HB3 GLN A 43 3.829 -26.390 15.466 1.00 0.00 H new ATOM 0 HG2 GLN A 43 3.002 -28.678 14.339 1.00 0.00 H new ATOM 0 HG3 GLN A 43 4.587 -28.602 13.594 1.00 0.00 H new ATOM 0 HE21 GLN A 43 2.826 -29.554 16.322 1.00 0.00 H new ATOM 0 HE22 GLN A 43 4.177 -29.837 17.425 1.00 0.00 H new ATOM 694 N TRP A 44 3.802 -24.009 13.673 1.00 0.00 N ATOM 695 CA TRP A 44 3.842 -22.558 13.822 1.00 0.00 C ATOM 696 C TRP A 44 4.459 -21.902 12.592 1.00 0.00 C ATOM 697 O TRP A 44 5.202 -22.538 11.845 1.00 0.00 O ATOM 698 CB TRP A 44 4.635 -22.175 15.072 1.00 0.00 C ATOM 699 CG TRP A 44 5.952 -22.882 15.180 1.00 0.00 C ATOM 700 CD1 TRP A 44 7.013 -22.774 14.326 1.00 0.00 C ATOM 701 CD2 TRP A 44 6.348 -23.807 16.198 1.00 0.00 C ATOM 702 NE1 TRP A 44 8.043 -23.576 14.752 1.00 0.00 N ATOM 703 CE2 TRP A 44 7.661 -24.220 15.899 1.00 0.00 C ATOM 704 CE3 TRP A 44 5.721 -24.326 17.335 1.00 0.00 C ATOM 705 CZ2 TRP A 44 8.356 -25.126 16.695 1.00 0.00 C ATOM 706 CZ3 TRP A 44 6.412 -25.226 18.124 1.00 0.00 C ATOM 707 CH2 TRP A 44 7.718 -25.618 17.802 1.00 0.00 C ATOM 0 H TRP A 44 4.707 -24.438 13.478 1.00 0.00 H new ATOM 0 HA TRP A 44 2.818 -22.200 13.927 1.00 0.00 H new ATOM 0 HB2 TRP A 44 4.808 -21.099 15.068 1.00 0.00 H new ATOM 0 HB3 TRP A 44 4.037 -22.399 15.956 1.00 0.00 H new ATOM 0 HD1 TRP A 44 7.038 -22.150 13.445 1.00 0.00 H new ATOM 0 HE1 TRP A 44 8.946 -23.676 14.289 1.00 0.00 H new ATOM 0 HE3 TRP A 44 4.715 -24.029 17.592 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 9.363 -25.430 16.448 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 5.937 -25.634 19.004 1.00 0.00 H new ATOM 0 HH2 TRP A 44 8.232 -26.322 18.440 1.00 0.00 H new ATOM 718 N TRP A 45 4.147 -20.627 12.388 1.00 0.00 N ATOM 719 CA TRP A 45 4.672 -19.885 11.248 1.00 0.00 C ATOM 720 C TRP A 45 5.776 -18.927 11.684 1.00 0.00 C ATOM 721 O TRP A 45 5.655 -18.251 12.705 1.00 0.00 O ATOM 722 CB TRP A 45 3.550 -19.109 10.557 1.00 0.00 C ATOM 723 CG TRP A 45 3.626 -19.159 9.061 1.00 0.00 C ATOM 724 CD1 TRP A 45 4.737 -18.963 8.290 1.00 0.00 C ATOM 725 CD2 TRP A 45 2.548 -19.419 8.156 1.00 0.00 C ATOM 726 NE1 TRP A 45 4.414 -19.086 6.961 1.00 0.00 N ATOM 727 CE2 TRP A 45 3.077 -19.367 6.852 1.00 0.00 C ATOM 728 CE3 TRP A 45 1.188 -19.694 8.320 1.00 0.00 C ATOM 729 CZ2 TRP A 45 2.292 -19.578 5.721 1.00 0.00 C ATOM 730 CZ3 TRP A 45 0.410 -19.902 7.197 1.00 0.00 C ATOM 731 CH2 TRP A 45 0.964 -19.844 5.912 1.00 0.00 C ATOM 0 H TRP A 45 3.533 -20.086 12.997 1.00 0.00 H new ATOM 0 HA TRP A 45 5.095 -20.601 10.544 1.00 0.00 H new ATOM 0 HB2 TRP A 45 2.589 -19.511 10.878 1.00 0.00 H new ATOM 0 HB3 TRP A 45 3.585 -18.069 10.881 1.00 0.00 H new ATOM 0 HD1 TRP A 45 5.724 -18.744 8.670 1.00 0.00 H new ATOM 0 HE1 TRP A 45 5.064 -18.985 6.181 1.00 0.00 H new ATOM 0 HE3 TRP A 45 0.752 -19.743 9.307 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 2.717 -19.533 4.729 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -0.643 -20.113 7.312 1.00 0.00 H new ATOM 0 HH2 TRP A 45 0.330 -20.013 5.054 1.00 0.00 H new ATOM 742 N TRP A 46 6.849 -18.873 10.903 1.00 0.00 N ATOM 743 CA TRP A 46 7.974 -17.997 11.210 1.00 0.00 C ATOM 744 C TRP A 46 7.721 -16.586 10.690 1.00 0.00 C ATOM 745 O TRP A 46 7.552 -16.378 9.489 1.00 0.00 O ATOM 746 CB TRP A 46 9.262 -18.555 10.602 1.00 0.00 C ATOM 747 CG TRP A 46 10.004 -19.473 11.524 1.00 0.00 C ATOM 748 CD1 TRP A 46 9.568 -20.672 12.013 1.00 0.00 C ATOM 749 CD2 TRP A 46 11.312 -19.267 12.068 1.00 0.00 C ATOM 750 NE1 TRP A 46 10.527 -21.223 12.829 1.00 0.00 N ATOM 751 CE2 TRP A 46 11.606 -20.382 12.879 1.00 0.00 C ATOM 752 CE3 TRP A 46 12.264 -18.252 11.949 1.00 0.00 C ATOM 753 CZ2 TRP A 46 12.811 -20.505 13.565 1.00 0.00 C ATOM 754 CZ3 TRP A 46 13.460 -18.376 12.631 1.00 0.00 C ATOM 755 CH2 TRP A 46 13.725 -19.496 13.430 1.00 0.00 C ATOM 0 H TRP A 46 6.964 -19.425 10.053 1.00 0.00 H new ATOM 0 HA TRP A 46 8.083 -17.951 12.294 1.00 0.00 H new ATOM 0 HB2 TRP A 46 9.020 -19.091 9.684 1.00 0.00 H new ATOM 0 HB3 TRP A 46 9.913 -17.726 10.324 1.00 0.00 H new ATOM 0 HD1 TRP A 46 8.611 -21.121 11.791 1.00 0.00 H new ATOM 0 HE1 TRP A 46 10.448 -22.114 13.318 1.00 0.00 H new ATOM 0 HE3 TRP A 46 12.069 -17.385 11.335 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 13.017 -21.367 14.182 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 14.203 -17.596 12.547 1.00 0.00 H new ATOM 0 HH2 TRP A 46 14.669 -19.564 13.950 1.00 0.00 H new ATOM 766 N ALA A 47 7.698 -15.619 11.603 1.00 0.00 N ATOM 767 CA ALA A 47 7.468 -14.228 11.235 1.00 0.00 C ATOM 768 C ALA A 47 8.688 -13.368 11.551 1.00 0.00 C ATOM 769 O ALA A 47 9.359 -13.571 12.563 1.00 0.00 O ATOM 770 CB ALA A 47 6.240 -13.688 11.953 1.00 0.00 C ATOM 0 H ALA A 47 7.836 -15.774 12.602 1.00 0.00 H new ATOM 0 HA ALA A 47 7.294 -14.186 10.160 1.00 0.00 H new ATOM 0 HB1 ALA A 47 6.080 -12.648 11.669 1.00 0.00 H new ATOM 0 HB2 ALA A 47 5.367 -14.278 11.675 1.00 0.00 H new ATOM 0 HB3 ALA A 47 6.392 -13.750 13.031 1.00 0.00 H new ATOM 776 N THR A 48 8.971 -12.407 10.677 1.00 0.00 N ATOM 777 CA THR A 48 10.111 -11.518 10.861 1.00 0.00 C ATOM 778 C THR A 48 9.697 -10.058 10.729 1.00 0.00 C ATOM 779 O THR A 48 9.142 -9.649 9.707 1.00 0.00 O ATOM 780 CB THR A 48 11.228 -11.818 9.843 1.00 0.00 C ATOM 781 OG1 THR A 48 11.585 -13.203 9.901 1.00 0.00 O ATOM 782 CG2 THR A 48 12.454 -10.960 10.116 1.00 0.00 C ATOM 0 H THR A 48 8.426 -12.225 9.834 1.00 0.00 H new ATOM 0 HA THR A 48 10.490 -11.695 11.867 1.00 0.00 H new ATOM 0 HB THR A 48 10.854 -11.582 8.847 1.00 0.00 H new ATOM 0 HG1 THR A 48 12.294 -13.386 9.250 1.00 0.00 H new ATOM 0 HG21 THR A 48 13.229 -11.190 9.385 1.00 0.00 H new ATOM 0 HG22 THR A 48 12.185 -9.906 10.041 1.00 0.00 H new ATOM 0 HG23 THR A 48 12.828 -11.168 11.118 1.00 0.00 H new ATOM 790 N LEU A 49 9.969 -9.274 11.766 1.00 0.00 N ATOM 791 CA LEU A 49 9.625 -7.856 11.765 1.00 0.00 C ATOM 792 C LEU A 49 10.741 -7.025 11.141 1.00 0.00 C ATOM 793 O LEU A 49 11.888 -7.069 11.589 1.00 0.00 O ATOM 794 CB LEU A 49 9.352 -7.376 13.192 1.00 0.00 C ATOM 795 CG LEU A 49 8.138 -6.465 13.373 1.00 0.00 C ATOM 796 CD1 LEU A 49 8.045 -5.980 14.811 1.00 0.00 C ATOM 797 CD2 LEU A 49 8.207 -5.286 12.413 1.00 0.00 C ATOM 0 H LEU A 49 10.427 -9.596 12.619 1.00 0.00 H new ATOM 0 HA LEU A 49 8.723 -7.727 11.166 1.00 0.00 H new ATOM 0 HB2 LEU A 49 9.223 -8.251 13.830 1.00 0.00 H new ATOM 0 HB3 LEU A 49 10.235 -6.847 13.551 1.00 0.00 H new ATOM 0 HG LEU A 49 7.240 -7.039 13.146 1.00 0.00 H new ATOM 0 HD11 LEU A 49 7.175 -5.333 14.921 1.00 0.00 H new ATOM 0 HD12 LEU A 49 7.947 -6.836 15.478 1.00 0.00 H new ATOM 0 HD13 LEU A 49 8.946 -5.423 15.066 1.00 0.00 H new ATOM 0 HD21 LEU A 49 7.335 -4.649 12.556 1.00 0.00 H new ATOM 0 HD22 LEU A 49 9.112 -4.711 12.607 1.00 0.00 H new ATOM 0 HD23 LEU A 49 8.224 -5.653 11.387 1.00 0.00 H new ATOM 809 N LEU A 50 10.399 -6.266 10.106 1.00 0.00 N ATOM 810 CA LEU A 50 11.372 -5.421 9.421 1.00 0.00 C ATOM 811 C LEU A 50 11.025 -3.946 9.588 1.00 0.00 C ATOM 812 O LEU A 50 9.896 -3.598 9.935 1.00 0.00 O ATOM 813 CB LEU A 50 11.430 -5.779 7.935 1.00 0.00 C ATOM 814 CG LEU A 50 10.975 -7.191 7.566 1.00 0.00 C ATOM 815 CD1 LEU A 50 10.990 -7.380 6.057 1.00 0.00 C ATOM 816 CD2 LEU A 50 11.856 -8.230 8.244 1.00 0.00 C ATOM 0 H LEU A 50 9.455 -6.218 9.722 1.00 0.00 H new ATOM 0 HA LEU A 50 12.350 -5.597 9.869 1.00 0.00 H new ATOM 0 HB2 LEU A 50 10.815 -5.066 7.386 1.00 0.00 H new ATOM 0 HB3 LEU A 50 12.456 -5.648 7.590 1.00 0.00 H new ATOM 0 HG LEU A 50 9.952 -7.325 7.918 1.00 0.00 H new ATOM 0 HD11 LEU A 50 10.663 -8.391 5.814 1.00 0.00 H new ATOM 0 HD12 LEU A 50 10.316 -6.659 5.593 1.00 0.00 H new ATOM 0 HD13 LEU A 50 12.001 -7.225 5.681 1.00 0.00 H new ATOM 0 HD21 LEU A 50 11.517 -9.229 7.970 1.00 0.00 H new ATOM 0 HD22 LEU A 50 12.889 -8.096 7.923 1.00 0.00 H new ATOM 0 HD23 LEU A 50 11.794 -8.110 9.326 1.00 0.00 H new ATOM 828 N ASP A 51 12.002 -3.082 9.336 1.00 0.00 N ATOM 829 CA ASP A 51 11.799 -1.642 9.455 1.00 0.00 C ATOM 830 C ASP A 51 10.977 -1.111 8.286 1.00 0.00 C ATOM 831 O ASP A 51 10.605 -1.862 7.385 1.00 0.00 O ATOM 832 CB ASP A 51 13.146 -0.920 9.518 1.00 0.00 C ATOM 833 CG ASP A 51 13.099 0.317 10.393 1.00 0.00 C ATOM 834 OD1 ASP A 51 12.630 0.211 11.546 1.00 0.00 O ATOM 835 OD2 ASP A 51 13.532 1.391 9.926 1.00 0.00 O ATOM 0 H ASP A 51 12.942 -3.353 9.048 1.00 0.00 H new ATOM 0 HA ASP A 51 11.250 -1.452 10.377 1.00 0.00 H new ATOM 0 HB2 ASP A 51 13.904 -1.604 9.901 1.00 0.00 H new ATOM 0 HB3 ASP A 51 13.451 -0.637 8.510 1.00 0.00 H new ATOM 840 N GLU A 52 10.695 0.188 8.308 1.00 0.00 N ATOM 841 CA GLU A 52 9.915 0.819 7.250 1.00 0.00 C ATOM 842 C GLU A 52 10.610 0.672 5.900 1.00 0.00 C ATOM 843 O GLU A 52 9.965 0.694 4.852 1.00 0.00 O ATOM 844 CB GLU A 52 9.692 2.300 7.564 1.00 0.00 C ATOM 845 CG GLU A 52 10.981 3.087 7.731 1.00 0.00 C ATOM 846 CD GLU A 52 10.738 4.519 8.165 1.00 0.00 C ATOM 847 OE1 GLU A 52 10.154 5.289 7.375 1.00 0.00 O ATOM 848 OE2 GLU A 52 11.132 4.870 9.298 1.00 0.00 O ATOM 0 H GLU A 52 10.995 0.824 9.047 1.00 0.00 H new ATOM 0 HA GLU A 52 8.949 0.317 7.198 1.00 0.00 H new ATOM 0 HB2 GLU A 52 9.104 2.748 6.763 1.00 0.00 H new ATOM 0 HB3 GLU A 52 9.103 2.385 8.478 1.00 0.00 H new ATOM 0 HG2 GLU A 52 11.613 2.590 8.467 1.00 0.00 H new ATOM 0 HG3 GLU A 52 11.528 3.085 6.788 1.00 0.00 H new ATOM 855 N ALA A 53 11.931 0.524 5.934 1.00 0.00 N ATOM 856 CA ALA A 53 12.714 0.372 4.714 1.00 0.00 C ATOM 857 C ALA A 53 12.762 -1.086 4.270 1.00 0.00 C ATOM 858 O ALA A 53 13.076 -1.384 3.118 1.00 0.00 O ATOM 859 CB ALA A 53 14.122 0.909 4.922 1.00 0.00 C ATOM 0 H ALA A 53 12.481 0.506 6.793 1.00 0.00 H new ATOM 0 HA ALA A 53 12.229 0.948 3.926 1.00 0.00 H new ATOM 0 HB1 ALA A 53 14.696 0.789 4.003 1.00 0.00 H new ATOM 0 HB2 ALA A 53 14.073 1.966 5.185 1.00 0.00 H new ATOM 0 HB3 ALA A 53 14.607 0.357 5.727 1.00 0.00 H new ATOM 865 N GLY A 54 12.449 -1.991 5.192 1.00 0.00 N ATOM 866 CA GLY A 54 12.464 -3.408 4.875 1.00 0.00 C ATOM 867 C GLY A 54 13.559 -4.155 5.610 1.00 0.00 C ATOM 868 O GLY A 54 13.579 -5.385 5.624 1.00 0.00 O ATOM 0 H GLY A 54 12.185 -1.769 6.152 1.00 0.00 H new ATOM 0 HA2 GLY A 54 11.498 -3.844 5.129 1.00 0.00 H new ATOM 0 HA3 GLY A 54 12.599 -3.535 3.801 1.00 0.00 H new ATOM 872 N GLY A 55 14.476 -3.409 6.220 1.00 0.00 N ATOM 873 CA GLY A 55 15.568 -4.026 6.950 1.00 0.00 C ATOM 874 C GLY A 55 15.092 -4.790 8.169 1.00 0.00 C ATOM 875 O GLY A 55 14.493 -4.214 9.077 1.00 0.00 O ATOM 0 H GLY A 55 14.482 -2.389 6.221 1.00 0.00 H new ATOM 0 HA2 GLY A 55 16.106 -4.704 6.288 1.00 0.00 H new ATOM 0 HA3 GLY A 55 16.274 -3.256 7.261 1.00 0.00 H new ATOM 879 N ALA A 56 15.357 -6.092 8.190 1.00 0.00 N ATOM 880 CA ALA A 56 14.952 -6.937 9.307 1.00 0.00 C ATOM 881 C ALA A 56 15.395 -6.337 10.638 1.00 0.00 C ATOM 882 O ALA A 56 16.449 -5.707 10.726 1.00 0.00 O ATOM 883 CB ALA A 56 15.521 -8.338 9.143 1.00 0.00 C ATOM 0 H ALA A 56 15.851 -6.585 7.446 1.00 0.00 H new ATOM 0 HA ALA A 56 13.864 -6.997 9.309 1.00 0.00 H new ATOM 0 HB1 ALA A 56 15.210 -8.958 9.984 1.00 0.00 H new ATOM 0 HB2 ALA A 56 15.152 -8.774 8.215 1.00 0.00 H new ATOM 0 HB3 ALA A 56 16.609 -8.287 9.112 1.00 0.00 H new ATOM 889 N VAL A 57 14.583 -6.536 11.671 1.00 0.00 N ATOM 890 CA VAL A 57 14.891 -6.015 12.997 1.00 0.00 C ATOM 891 C VAL A 57 14.821 -7.116 14.050 1.00 0.00 C ATOM 892 O VAL A 57 15.817 -7.433 14.699 1.00 0.00 O ATOM 893 CB VAL A 57 13.929 -4.880 13.392 1.00 0.00 C ATOM 894 CG1 VAL A 57 14.411 -4.186 14.657 1.00 0.00 C ATOM 895 CG2 VAL A 57 13.784 -3.884 12.251 1.00 0.00 C ATOM 0 H VAL A 57 13.706 -7.055 11.615 1.00 0.00 H new ATOM 0 HA VAL A 57 15.906 -5.621 12.954 1.00 0.00 H new ATOM 0 HB VAL A 57 12.949 -5.312 13.595 1.00 0.00 H new ATOM 0 HG11 VAL A 57 13.718 -3.387 14.920 1.00 0.00 H new ATOM 0 HG12 VAL A 57 14.459 -4.908 15.472 1.00 0.00 H new ATOM 0 HG13 VAL A 57 15.402 -3.765 14.486 1.00 0.00 H new ATOM 0 HG21 VAL A 57 13.100 -3.088 12.547 1.00 0.00 H new ATOM 0 HG22 VAL A 57 14.758 -3.456 12.015 1.00 0.00 H new ATOM 0 HG23 VAL A 57 13.389 -4.393 11.372 1.00 0.00 H new ATOM 905 N ALA A 58 13.636 -7.695 14.214 1.00 0.00 N ATOM 906 CA ALA A 58 13.435 -8.762 15.187 1.00 0.00 C ATOM 907 C ALA A 58 12.936 -10.034 14.510 1.00 0.00 C ATOM 908 O ALA A 58 12.353 -9.984 13.427 1.00 0.00 O ATOM 909 CB ALA A 58 12.457 -8.317 16.264 1.00 0.00 C ATOM 0 H ALA A 58 12.801 -7.443 13.686 1.00 0.00 H new ATOM 0 HA ALA A 58 14.396 -8.982 15.653 1.00 0.00 H new ATOM 0 HB1 ALA A 58 12.316 -9.124 16.984 1.00 0.00 H new ATOM 0 HB2 ALA A 58 12.853 -7.440 16.775 1.00 0.00 H new ATOM 0 HB3 ALA A 58 11.500 -8.069 15.806 1.00 0.00 H new ATOM 915 N GLN A 59 13.169 -11.172 15.156 1.00 0.00 N ATOM 916 CA GLN A 59 12.744 -12.458 14.614 1.00 0.00 C ATOM 917 C GLN A 59 12.051 -13.296 15.683 1.00 0.00 C ATOM 918 O GLN A 59 12.577 -13.480 16.780 1.00 0.00 O ATOM 919 CB GLN A 59 13.945 -13.220 14.051 1.00 0.00 C ATOM 920 CG GLN A 59 14.750 -12.423 13.037 1.00 0.00 C ATOM 921 CD GLN A 59 15.818 -13.256 12.356 1.00 0.00 C ATOM 922 OE1 GLN A 59 15.707 -14.479 12.270 1.00 0.00 O ATOM 923 NE2 GLN A 59 16.861 -12.595 11.866 1.00 0.00 N ATOM 0 H GLN A 59 13.649 -11.230 16.054 1.00 0.00 H new ATOM 0 HA GLN A 59 12.034 -12.268 13.809 1.00 0.00 H new ATOM 0 HB2 GLN A 59 14.598 -13.511 14.874 1.00 0.00 H new ATOM 0 HB3 GLN A 59 13.594 -14.139 13.582 1.00 0.00 H new ATOM 0 HG2 GLN A 59 14.076 -12.016 12.283 1.00 0.00 H new ATOM 0 HG3 GLN A 59 15.219 -11.575 13.536 1.00 0.00 H new ATOM 0 HE21 GLN A 59 16.912 -11.581 11.960 1.00 0.00 H new ATOM 0 HE22 GLN A 59 17.611 -13.102 11.396 1.00 0.00 H new ATOM 932 N GLY A 60 10.866 -13.803 15.355 1.00 0.00 N ATOM 933 CA GLY A 60 10.120 -14.615 16.298 1.00 0.00 C ATOM 934 C GLY A 60 9.007 -15.400 15.633 1.00 0.00 C ATOM 935 O GLY A 60 8.291 -14.875 14.780 1.00 0.00 O ATOM 0 H GLY A 60 10.410 -13.666 14.453 1.00 0.00 H new ATOM 0 HA2 GLY A 60 10.800 -15.306 16.796 1.00 0.00 H new ATOM 0 HA3 GLY A 60 9.696 -13.973 17.070 1.00 0.00 H new ATOM 939 N TYR A 61 8.861 -16.662 16.022 1.00 0.00 N ATOM 940 CA TYR A 61 7.829 -17.522 15.454 1.00 0.00 C ATOM 941 C TYR A 61 6.586 -17.537 16.338 1.00 0.00 C ATOM 942 O TYR A 61 6.667 -17.324 17.548 1.00 0.00 O ATOM 943 CB TYR A 61 8.362 -18.945 15.280 1.00 0.00 C ATOM 944 CG TYR A 61 8.458 -19.719 16.575 1.00 0.00 C ATOM 945 CD1 TYR A 61 7.374 -20.444 17.056 1.00 0.00 C ATOM 946 CD2 TYR A 61 9.631 -19.725 17.319 1.00 0.00 C ATOM 947 CE1 TYR A 61 7.457 -21.152 18.240 1.00 0.00 C ATOM 948 CE2 TYR A 61 9.724 -20.431 18.503 1.00 0.00 C ATOM 949 CZ TYR A 61 8.634 -21.143 18.959 1.00 0.00 C ATOM 950 OH TYR A 61 8.721 -21.846 20.138 1.00 0.00 O ATOM 0 H TYR A 61 9.444 -17.112 16.728 1.00 0.00 H new ATOM 0 HA TYR A 61 7.554 -17.122 14.478 1.00 0.00 H new ATOM 0 HB2 TYR A 61 7.713 -19.485 14.591 1.00 0.00 H new ATOM 0 HB3 TYR A 61 9.349 -18.900 14.819 1.00 0.00 H new ATOM 0 HD1 TYR A 61 6.451 -20.454 16.495 1.00 0.00 H new ATOM 0 HD2 TYR A 61 10.486 -19.168 16.966 1.00 0.00 H new ATOM 0 HE1 TYR A 61 6.605 -21.709 18.600 1.00 0.00 H new ATOM 0 HE2 TYR A 61 10.644 -20.425 19.068 1.00 0.00 H new ATOM 0 HH TYR A 61 9.430 -22.519 20.066 1.00 0.00 H new ATOM 960 N VAL A 62 5.434 -17.791 15.724 1.00 0.00 N ATOM 961 CA VAL A 62 4.173 -17.836 16.453 1.00 0.00 C ATOM 962 C VAL A 62 3.169 -18.750 15.760 1.00 0.00 C ATOM 963 O VAL A 62 3.249 -19.002 14.557 1.00 0.00 O ATOM 964 CB VAL A 62 3.557 -16.431 16.597 1.00 0.00 C ATOM 965 CG1 VAL A 62 4.259 -15.651 17.698 1.00 0.00 C ATOM 966 CG2 VAL A 62 3.624 -15.683 15.275 1.00 0.00 C ATOM 0 H VAL A 62 5.349 -17.969 14.723 1.00 0.00 H new ATOM 0 HA VAL A 62 4.395 -18.231 17.444 1.00 0.00 H new ATOM 0 HB VAL A 62 2.508 -16.539 16.874 1.00 0.00 H new ATOM 0 HG11 VAL A 62 3.811 -14.661 17.785 1.00 0.00 H new ATOM 0 HG12 VAL A 62 4.153 -16.182 18.644 1.00 0.00 H new ATOM 0 HG13 VAL A 62 5.317 -15.550 17.455 1.00 0.00 H new ATOM 0 HG21 VAL A 62 3.185 -14.693 15.395 1.00 0.00 H new ATOM 0 HG22 VAL A 62 4.664 -15.583 14.966 1.00 0.00 H new ATOM 0 HG23 VAL A 62 3.071 -16.236 14.516 1.00 0.00 H new ATOM 976 N PRO A 63 2.200 -19.260 16.534 1.00 0.00 N ATOM 977 CA PRO A 63 1.160 -20.154 16.014 1.00 0.00 C ATOM 978 C PRO A 63 0.181 -19.432 15.095 1.00 0.00 C ATOM 979 O PRO A 63 -0.043 -18.229 15.232 1.00 0.00 O ATOM 980 CB PRO A 63 0.447 -20.641 17.279 1.00 0.00 C ATOM 981 CG PRO A 63 0.684 -19.568 18.284 1.00 0.00 C ATOM 982 CD PRO A 63 2.044 -19.003 17.975 1.00 0.00 C ATOM 0 HA PRO A 63 1.578 -20.957 15.408 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -0.618 -20.789 17.101 1.00 0.00 H new ATOM 0 HB3 PRO A 63 0.849 -21.596 17.617 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -0.083 -18.796 18.219 1.00 0.00 H new ATOM 0 HG3 PRO A 63 0.649 -19.968 19.297 1.00 0.00 H new ATOM 0 HD2 PRO A 63 2.098 -17.938 18.201 1.00 0.00 H new ATOM 0 HD3 PRO A 63 2.824 -19.493 18.557 1.00 0.00 H new ATOM 990 N HIS A 64 -0.400 -20.175 14.158 1.00 0.00 N ATOM 991 CA HIS A 64 -1.357 -19.605 13.216 1.00 0.00 C ATOM 992 C HIS A 64 -2.581 -19.060 13.947 1.00 0.00 C ATOM 993 O HIS A 64 -3.297 -18.205 13.427 1.00 0.00 O ATOM 994 CB HIS A 64 -1.786 -20.657 12.193 1.00 0.00 C ATOM 995 CG HIS A 64 -0.643 -21.437 11.621 1.00 0.00 C ATOM 996 ND1 HIS A 64 0.632 -20.925 11.500 1.00 0.00 N ATOM 997 CD2 HIS A 64 -0.587 -22.699 11.136 1.00 0.00 C ATOM 998 CE1 HIS A 64 1.422 -21.838 10.965 1.00 0.00 C ATOM 999 NE2 HIS A 64 0.706 -22.925 10.734 1.00 0.00 N ATOM 0 H HIS A 64 -0.225 -21.172 14.031 1.00 0.00 H new ATOM 0 HA HIS A 64 -0.870 -18.780 12.696 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -2.486 -21.347 12.665 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -2.322 -20.165 11.381 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -1.407 -23.399 11.076 1.00 0.00 H new ATOM 0 HE1 HIS A 64 2.474 -21.717 10.752 1.00 0.00 H new ATOM 0 HE2 HIS A 64 1.057 -23.790 10.324 1.00 0.00 H new ATOM 1007 N ASN A 65 -2.814 -19.562 15.155 1.00 0.00 N ATOM 1008 CA ASN A 65 -3.952 -19.127 15.957 1.00 0.00 C ATOM 1009 C ASN A 65 -3.718 -17.728 16.519 1.00 0.00 C ATOM 1010 O ASN A 65 -4.619 -17.123 17.100 1.00 0.00 O ATOM 1011 CB ASN A 65 -4.204 -20.112 17.100 1.00 0.00 C ATOM 1012 CG ASN A 65 -5.592 -19.967 17.694 1.00 0.00 C ATOM 1013 OD1 ASN A 65 -5.753 -19.474 18.810 1.00 0.00 O ATOM 1014 ND2 ASN A 65 -6.602 -20.399 16.947 1.00 0.00 N ATOM 0 H ASN A 65 -2.230 -20.270 15.600 1.00 0.00 H new ATOM 0 HA ASN A 65 -4.830 -19.098 15.311 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -4.073 -21.130 16.734 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -3.460 -19.956 17.881 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -7.559 -20.329 17.293 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -6.421 -20.801 16.027 1.00 0.00 H new ATOM 1021 N TYR A 66 -2.504 -17.220 16.340 1.00 0.00 N ATOM 1022 CA TYR A 66 -2.151 -15.893 16.831 1.00 0.00 C ATOM 1023 C TYR A 66 -2.223 -14.861 15.710 1.00 0.00 C ATOM 1024 O TYR A 66 -3.067 -13.964 15.729 1.00 0.00 O ATOM 1025 CB TYR A 66 -0.746 -15.908 17.436 1.00 0.00 C ATOM 1026 CG TYR A 66 -0.564 -14.922 18.568 1.00 0.00 C ATOM 1027 CD1 TYR A 66 -0.171 -13.613 18.318 1.00 0.00 C ATOM 1028 CD2 TYR A 66 -0.785 -15.299 19.887 1.00 0.00 C ATOM 1029 CE1 TYR A 66 -0.003 -12.708 19.348 1.00 0.00 C ATOM 1030 CE2 TYR A 66 -0.621 -14.401 20.923 1.00 0.00 C ATOM 1031 CZ TYR A 66 -0.229 -13.107 20.649 1.00 0.00 C ATOM 1032 OH TYR A 66 -0.064 -12.210 21.679 1.00 0.00 O ATOM 0 H TYR A 66 -1.748 -17.707 15.859 1.00 0.00 H new ATOM 0 HA TYR A 66 -2.869 -15.615 17.603 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -0.527 -16.912 17.801 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -0.020 -15.688 16.653 1.00 0.00 H new ATOM 0 HD1 TYR A 66 0.006 -13.297 17.300 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -1.090 -16.312 20.106 1.00 0.00 H new ATOM 0 HE1 TYR A 66 0.303 -11.694 19.136 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -0.799 -14.710 21.942 1.00 0.00 H new ATOM 0 HH TYR A 66 0.517 -12.602 22.364 1.00 0.00 H new ATOM 1042 N LEU A 67 -1.333 -14.995 14.733 1.00 0.00 N ATOM 1043 CA LEU A 67 -1.295 -14.076 13.601 1.00 0.00 C ATOM 1044 C LEU A 67 -2.117 -14.613 12.434 1.00 0.00 C ATOM 1045 O LEU A 67 -2.413 -15.806 12.368 1.00 0.00 O ATOM 1046 CB LEU A 67 0.150 -13.843 13.157 1.00 0.00 C ATOM 1047 CG LEU A 67 0.721 -14.861 12.169 1.00 0.00 C ATOM 1048 CD1 LEU A 67 2.070 -14.396 11.643 1.00 0.00 C ATOM 1049 CD2 LEU A 67 0.845 -16.229 12.825 1.00 0.00 C ATOM 0 H LEU A 67 -0.628 -15.731 14.702 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.729 -13.128 13.920 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.215 -12.853 12.706 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.784 -13.832 14.044 1.00 0.00 H new ATOM 0 HG LEU A 67 0.035 -14.945 11.326 1.00 0.00 H new ATOM 0 HD11 LEU A 67 2.461 -15.133 10.941 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.952 -13.439 11.135 1.00 0.00 H new ATOM 0 HD13 LEU A 67 2.765 -14.283 12.475 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.253 -16.941 12.107 1.00 0.00 H new ATOM 0 HD22 LEU A 67 1.510 -16.161 13.686 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.139 -16.566 13.152 1.00 0.00 H new ATOM 1061 N ALA A 68 -2.481 -13.725 11.515 1.00 0.00 N ATOM 1062 CA ALA A 68 -3.265 -14.111 10.349 1.00 0.00 C ATOM 1063 C ALA A 68 -2.792 -13.374 9.101 1.00 0.00 C ATOM 1064 O ALA A 68 -2.359 -12.224 9.175 1.00 0.00 O ATOM 1065 CB ALA A 68 -4.743 -13.844 10.594 1.00 0.00 C ATOM 0 H ALA A 68 -2.245 -12.733 11.556 1.00 0.00 H new ATOM 0 HA ALA A 68 -3.123 -15.179 10.184 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -5.316 -14.137 9.715 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -5.079 -14.421 11.455 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.894 -12.782 10.788 1.00 0.00 H new ATOM 1071 N GLU A 69 -2.878 -14.043 7.955 1.00 0.00 N ATOM 1072 CA GLU A 69 -2.456 -13.450 6.691 1.00 0.00 C ATOM 1073 C GLU A 69 -3.429 -12.359 6.251 1.00 0.00 C ATOM 1074 O GLU A 69 -4.634 -12.457 6.482 1.00 0.00 O ATOM 1075 CB GLU A 69 -2.354 -14.525 5.607 1.00 0.00 C ATOM 1076 CG GLU A 69 -3.703 -15.016 5.108 1.00 0.00 C ATOM 1077 CD GLU A 69 -3.603 -16.330 4.357 1.00 0.00 C ATOM 1078 OE1 GLU A 69 -3.082 -16.327 3.223 1.00 0.00 O ATOM 1079 OE2 GLU A 69 -4.047 -17.361 4.905 1.00 0.00 O ATOM 0 H GLU A 69 -3.236 -14.995 7.876 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.474 -13.000 6.839 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -1.787 -14.127 4.765 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.791 -15.372 5.999 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -4.378 -15.136 5.955 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -4.142 -14.261 4.456 1.00 0.00 H new ATOM 1086 N ARG A 70 -2.895 -11.320 5.617 1.00 0.00 N ATOM 1087 CA ARG A 70 -3.714 -10.210 5.147 1.00 0.00 C ATOM 1088 C ARG A 70 -3.861 -10.248 3.628 1.00 0.00 C ATOM 1089 O ARG A 70 -3.004 -9.748 2.900 1.00 0.00 O ATOM 1090 CB ARG A 70 -3.100 -8.876 5.577 1.00 0.00 C ATOM 1091 CG ARG A 70 -3.248 -8.590 7.063 1.00 0.00 C ATOM 1092 CD ARG A 70 -4.552 -7.868 7.364 1.00 0.00 C ATOM 1093 NE ARG A 70 -5.651 -8.800 7.600 1.00 0.00 N ATOM 1094 CZ ARG A 70 -6.927 -8.434 7.648 1.00 0.00 C ATOM 1095 NH1 ARG A 70 -7.263 -7.162 7.477 1.00 0.00 N ATOM 1096 NH2 ARG A 70 -7.871 -9.340 7.868 1.00 0.00 N ATOM 0 H ARG A 70 -1.899 -11.224 5.417 1.00 0.00 H new ATOM 0 HA ARG A 70 -4.703 -10.307 5.594 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -2.041 -8.873 5.318 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -3.569 -8.071 5.012 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -3.212 -9.526 7.620 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -2.408 -7.984 7.403 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -4.421 -7.233 8.240 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -4.805 -7.213 6.530 1.00 0.00 H new ATOM 0 HE ARG A 70 -5.427 -9.786 7.735 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -6.541 -6.462 7.308 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -8.244 -6.884 7.514 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -7.617 -10.319 8.001 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -8.850 -9.057 7.905 1.00 0.00 H new ATOM 1110 N GLU A 71 -4.952 -10.844 3.159 1.00 0.00 N ATOM 1111 CA GLU A 71 -5.210 -10.947 1.727 1.00 0.00 C ATOM 1112 C GLU A 71 -5.899 -9.690 1.206 1.00 0.00 C ATOM 1113 O GLU A 71 -6.902 -9.241 1.762 1.00 0.00 O ATOM 1114 CB GLU A 71 -6.072 -12.176 1.429 1.00 0.00 C ATOM 1115 CG GLU A 71 -5.346 -13.494 1.639 1.00 0.00 C ATOM 1116 CD GLU A 71 -6.281 -14.688 1.596 1.00 0.00 C ATOM 1117 OE1 GLU A 71 -6.564 -15.178 0.483 1.00 0.00 O ATOM 1118 OE2 GLU A 71 -6.728 -15.131 2.674 1.00 0.00 O ATOM 0 H GLU A 71 -5.671 -11.263 3.749 1.00 0.00 H new ATOM 0 HA GLU A 71 -4.252 -11.052 1.218 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -6.956 -12.152 2.066 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -6.421 -12.123 0.398 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -4.580 -13.609 0.872 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -4.833 -13.473 2.601 1.00 0.00 H new ATOM 1125 N THR A 72 -5.354 -9.125 0.133 1.00 0.00 N ATOM 1126 CA THR A 72 -5.914 -7.919 -0.463 1.00 0.00 C ATOM 1127 C THR A 72 -6.153 -8.104 -1.958 1.00 0.00 C ATOM 1128 O THR A 72 -7.118 -7.579 -2.512 1.00 0.00 O ATOM 1129 CB THR A 72 -4.989 -6.705 -0.250 1.00 0.00 C ATOM 1130 OG1 THR A 72 -3.657 -7.025 -0.665 1.00 0.00 O ATOM 1131 CG2 THR A 72 -4.983 -6.280 1.211 1.00 0.00 C ATOM 0 H THR A 72 -4.525 -9.484 -0.341 1.00 0.00 H new ATOM 0 HA THR A 72 -6.866 -7.734 0.035 1.00 0.00 H new ATOM 0 HB THR A 72 -5.367 -5.878 -0.851 1.00 0.00 H new ATOM 0 HG1 THR A 72 -3.076 -6.248 -0.528 1.00 0.00 H new ATOM 0 HG21 THR A 72 -4.323 -5.422 1.337 1.00 0.00 H new ATOM 0 HG22 THR A 72 -5.994 -6.009 1.515 1.00 0.00 H new ATOM 0 HG23 THR A 72 -4.627 -7.105 1.828 1.00 0.00 H new TER 1139 THR A 72