USER MOD reduce.3.24.130724 H: found=0, std=0, add=681, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 681 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 37 THR OG1 : rot 110:sc= -1.05 USER MOD Set 1.2: A 39 HIS : no HD1:sc= -1.15 K(o=-2.2,f=0.65) USER MOD Single : A 1 MET CE :methyl 142:sc= -0.113 (180deg=-0.503) USER MOD Single : A 1 MET N :NH3+ -175:sc= 0 (180deg=-0.0277) USER MOD Single : A 3 LYS NZ :NH3+ 172:sc= 1.21 (180deg=0.997) USER MOD Single : A 4 HIS : no HE2:sc= -0.904! C(o=-0.9!,f=-7.4!) USER MOD Single : A 6 LYS NZ :NH3+ -164:sc= -0.0605 (180deg=-0.306) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 0.0816 X(o=0.082,f=0) USER MOD Single : A 14 ASN : amide:sc= -0.834 K(o=-0.83,f=-2.8!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 TYR OH : rot -132:sc= 1.23 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 25:sc= 1.12 USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 SER OG : rot -4:sc= 1.07 USER MOD Single : A 33 LYS NZ :NH3+ 130:sc= 0.924 (180deg=0.582) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 ASN : amide:sc=-0.00656 X(o=-0.0066,f=-0.25) USER MOD Single : A 52 LYS NZ :NH3+ -163:sc= -0.437 (180deg=-0.687) USER MOD Single : A 53 MET CE :methyl -169:sc= -0.0154 (180deg=-0.212) USER MOD Single : A 55 ASN : amide:sc= -0.0787 X(o=-0.079,f=-0.053) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 1.28 (180deg=1.28) USER MOD Single : A 65 THR OG1 : rot 89:sc= 1.3 USER MOD Single : A 72 HIS : no HD1:sc= -0.142 X(o=-0.14,f=0) USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 74 HIS : no HD1:sc= -1.27! C(o=-1.3!,f=-6.6!) USER MOD Single : A 75 HIS : no HD1:sc= -0.2 X(o=-0.2,f=-0.24) USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 77 HIS : no HD1:sc= -0.237 X(o=-0.24,f=-0.25) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.105 9.869 -18.457 1.00 0.00 N ATOM 2 CA MET A 1 0.987 8.539 -17.842 1.00 0.00 C ATOM 3 C MET A 1 0.437 8.632 -16.422 1.00 0.00 C ATOM 4 O MET A 1 -0.590 8.032 -16.101 1.00 0.00 O ATOM 5 CB MET A 1 2.340 7.803 -17.816 1.00 0.00 C ATOM 6 CG MET A 1 2.886 7.408 -19.177 1.00 0.00 C ATOM 7 SD MET A 1 4.533 6.661 -19.083 1.00 0.00 S ATOM 8 CE MET A 1 4.220 5.232 -18.045 1.00 0.00 C ATOM 0 H1 MET A 1 1.401 9.768 -19.449 1.00 0.00 H new ATOM 0 H2 MET A 1 0.185 10.353 -18.417 1.00 0.00 H new ATOM 0 H3 MET A 1 1.813 10.429 -17.940 1.00 0.00 H new ATOM 0 HA MET A 1 0.290 7.971 -18.458 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.072 8.439 -17.319 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.235 6.904 -17.209 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.200 6.705 -19.649 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.928 8.290 -19.816 1.00 0.00 H new ATOM 0 HE1 MET A 1 4.809 4.387 -18.401 1.00 0.00 H new ATOM 0 HE2 MET A 1 4.499 5.461 -17.017 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.161 4.978 -18.085 1.00 0.00 H new ATOM 20 N LEU A 2 1.107 9.380 -15.576 1.00 0.00 N ATOM 21 CA LEU A 2 0.736 9.476 -14.182 1.00 0.00 C ATOM 22 C LEU A 2 0.130 10.847 -13.900 1.00 0.00 C ATOM 23 O LEU A 2 0.683 11.864 -14.308 1.00 0.00 O ATOM 24 CB LEU A 2 1.997 9.183 -13.328 1.00 0.00 C ATOM 25 CG LEU A 2 1.855 9.066 -11.800 1.00 0.00 C ATOM 26 CD1 LEU A 2 3.066 8.346 -11.243 1.00 0.00 C ATOM 27 CD2 LEU A 2 1.752 10.438 -11.139 1.00 0.00 C ATOM 0 H LEU A 2 1.922 9.937 -15.833 1.00 0.00 H new ATOM 0 HA LEU A 2 -0.029 8.744 -13.922 1.00 0.00 H new ATOM 0 HB2 LEU A 2 2.430 8.250 -13.690 1.00 0.00 H new ATOM 0 HB3 LEU A 2 2.722 9.971 -13.531 1.00 0.00 H new ATOM 0 HG LEU A 2 0.941 8.512 -11.587 1.00 0.00 H new ATOM 0 HD11 LEU A 2 2.972 8.260 -10.161 1.00 0.00 H new ATOM 0 HD12 LEU A 2 3.131 7.351 -11.682 1.00 0.00 H new ATOM 0 HD13 LEU A 2 3.967 8.909 -11.485 1.00 0.00 H new ATOM 0 HD21 LEU A 2 1.653 10.316 -10.060 1.00 0.00 H new ATOM 0 HD22 LEU A 2 2.650 11.016 -11.358 1.00 0.00 H new ATOM 0 HD23 LEU A 2 0.879 10.964 -11.526 1.00 0.00 H new ATOM 39 N LYS A 3 -1.001 10.863 -13.220 1.00 0.00 N ATOM 40 CA LYS A 3 -1.701 12.099 -12.893 1.00 0.00 C ATOM 41 C LYS A 3 -2.045 12.186 -11.417 1.00 0.00 C ATOM 42 O LYS A 3 -2.494 11.199 -10.834 1.00 0.00 O ATOM 43 CB LYS A 3 -3.025 12.214 -13.680 1.00 0.00 C ATOM 44 CG LYS A 3 -2.920 12.576 -15.153 1.00 0.00 C ATOM 45 CD LYS A 3 -2.341 13.967 -15.342 1.00 0.00 C ATOM 46 CE LYS A 3 -2.505 14.460 -16.773 1.00 0.00 C ATOM 47 NZ LYS A 3 -3.930 14.722 -17.130 1.00 0.00 N ATOM 0 H LYS A 3 -1.464 10.021 -12.877 1.00 0.00 H new ATOM 0 HA LYS A 3 -1.020 12.907 -13.162 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -3.550 11.262 -13.601 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -3.647 12.963 -13.190 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -2.292 11.846 -15.665 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -3.907 12.526 -15.613 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -2.833 14.661 -14.660 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -1.283 13.959 -15.080 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -1.927 15.374 -16.907 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -2.093 13.719 -17.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -3.976 15.181 -18.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -4.451 13.822 -17.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -4.358 15.345 -16.416 1.00 0.00 H new ATOM 61 N HIS A 4 -1.767 13.370 -10.841 1.00 0.00 N ATOM 62 CA HIS A 4 -2.257 13.827 -9.518 1.00 0.00 C ATOM 63 C HIS A 4 -2.198 12.771 -8.376 1.00 0.00 C ATOM 64 O HIS A 4 -3.142 12.010 -8.176 1.00 0.00 O ATOM 65 CB HIS A 4 -3.687 14.386 -9.728 1.00 0.00 C ATOM 66 CG HIS A 4 -4.423 14.834 -8.511 1.00 0.00 C ATOM 67 ND1 HIS A 4 -5.558 14.217 -8.074 1.00 0.00 N ATOM 68 CD2 HIS A 4 -4.218 15.863 -7.678 1.00 0.00 C ATOM 69 CE1 HIS A 4 -6.022 14.836 -7.026 1.00 0.00 C ATOM 70 NE2 HIS A 4 -5.228 15.847 -6.758 1.00 0.00 N ATOM 0 H HIS A 4 -1.174 14.063 -11.297 1.00 0.00 H new ATOM 0 HA HIS A 4 -1.575 14.597 -9.157 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -3.624 15.229 -10.416 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -4.283 13.617 -10.221 1.00 0.00 H new ATOM 0 HD1 HIS A 4 -5.980 13.394 -8.504 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -3.406 16.573 -7.725 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -6.908 14.564 -6.472 1.00 0.00 H new ATOM 79 N GLY A 5 -1.125 12.764 -7.614 1.00 0.00 N ATOM 80 CA GLY A 5 -1.000 11.779 -6.559 1.00 0.00 C ATOM 81 C GLY A 5 -0.655 12.364 -5.194 1.00 0.00 C ATOM 82 O GLY A 5 0.123 13.315 -5.098 1.00 0.00 O ATOM 0 H GLY A 5 -0.343 13.413 -7.700 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -1.937 11.228 -6.479 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -0.230 11.060 -6.838 1.00 0.00 H new ATOM 86 N LYS A 6 -1.241 11.791 -4.146 1.00 0.00 N ATOM 87 CA LYS A 6 -0.956 12.170 -2.744 1.00 0.00 C ATOM 88 C LYS A 6 -0.167 11.049 -2.075 1.00 0.00 C ATOM 89 O LYS A 6 -0.289 9.905 -2.470 1.00 0.00 O ATOM 90 CB LYS A 6 -2.250 12.388 -1.909 1.00 0.00 C ATOM 91 CG LYS A 6 -3.047 13.675 -2.153 1.00 0.00 C ATOM 92 CD LYS A 6 -3.729 13.731 -3.505 1.00 0.00 C ATOM 93 CE LYS A 6 -4.575 14.993 -3.633 1.00 0.00 C ATOM 94 NZ LYS A 6 -5.701 15.035 -2.666 1.00 0.00 N ATOM 0 H LYS A 6 -1.932 11.046 -4.234 1.00 0.00 H new ATOM 0 HA LYS A 6 -0.398 13.106 -2.775 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -2.914 11.543 -2.092 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -1.978 12.357 -0.854 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -3.801 13.776 -1.373 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -2.376 14.529 -2.061 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -2.980 13.708 -4.296 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -4.358 12.851 -3.637 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -3.941 15.866 -3.482 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -4.971 15.058 -4.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -6.389 15.756 -2.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -6.166 14.105 -2.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -5.338 15.274 -1.721 1.00 0.00 H new ATOM 108 N TYR A 7 0.630 11.368 -1.086 1.00 0.00 N ATOM 109 CA TYR A 7 1.371 10.357 -0.342 1.00 0.00 C ATOM 110 C TYR A 7 0.762 10.098 1.022 1.00 0.00 C ATOM 111 O TYR A 7 0.703 10.998 1.873 1.00 0.00 O ATOM 112 CB TYR A 7 2.848 10.724 -0.177 1.00 0.00 C ATOM 113 CG TYR A 7 3.688 10.497 -1.404 1.00 0.00 C ATOM 114 CD1 TYR A 7 4.206 9.240 -1.665 1.00 0.00 C ATOM 115 CD2 TYR A 7 3.974 11.524 -2.290 1.00 0.00 C ATOM 116 CE1 TYR A 7 4.986 9.005 -2.772 1.00 0.00 C ATOM 117 CE2 TYR A 7 4.756 11.298 -3.404 1.00 0.00 C ATOM 118 CZ TYR A 7 5.259 10.033 -3.638 1.00 0.00 C ATOM 119 OH TYR A 7 6.026 9.795 -4.746 1.00 0.00 O ATOM 0 H TYR A 7 0.789 12.324 -0.769 1.00 0.00 H new ATOM 0 HA TYR A 7 1.306 9.446 -0.936 1.00 0.00 H new ATOM 0 HB2 TYR A 7 2.919 11.774 0.107 1.00 0.00 H new ATOM 0 HB3 TYR A 7 3.264 10.142 0.646 1.00 0.00 H new ATOM 0 HD1 TYR A 7 3.993 8.428 -0.985 1.00 0.00 H new ATOM 0 HD2 TYR A 7 3.580 12.513 -2.106 1.00 0.00 H new ATOM 0 HE1 TYR A 7 5.381 8.017 -2.959 1.00 0.00 H new ATOM 0 HE2 TYR A 7 4.973 12.105 -4.088 1.00 0.00 H new ATOM 0 HH TYR A 7 6.127 10.624 -5.258 1.00 0.00 H new ATOM 129 N VAL A 8 0.307 8.895 1.222 1.00 0.00 N ATOM 130 CA VAL A 8 -0.234 8.463 2.494 1.00 0.00 C ATOM 131 C VAL A 8 0.440 7.155 2.869 1.00 0.00 C ATOM 132 O VAL A 8 1.327 6.685 2.141 1.00 0.00 O ATOM 133 CB VAL A 8 -1.790 8.276 2.477 1.00 0.00 C ATOM 134 CG1 VAL A 8 -2.508 9.583 2.171 1.00 0.00 C ATOM 135 CG2 VAL A 8 -2.211 7.190 1.501 1.00 0.00 C ATOM 0 H VAL A 8 0.298 8.172 0.503 1.00 0.00 H new ATOM 0 HA VAL A 8 -0.033 9.243 3.228 1.00 0.00 H new ATOM 0 HB VAL A 8 -2.083 7.960 3.478 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -3.585 9.414 2.168 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -2.259 10.322 2.933 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -2.195 9.950 1.193 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -3.296 7.088 1.516 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -1.885 7.458 0.496 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -1.754 6.244 1.790 1.00 0.00 H new ATOM 145 N TYR A 9 0.050 6.573 3.969 1.00 0.00 N ATOM 146 CA TYR A 9 0.646 5.337 4.401 1.00 0.00 C ATOM 147 C TYR A 9 -0.415 4.296 4.609 1.00 0.00 C ATOM 148 O TYR A 9 -1.545 4.613 4.974 1.00 0.00 O ATOM 149 CB TYR A 9 1.432 5.518 5.699 1.00 0.00 C ATOM 150 CG TYR A 9 2.660 6.391 5.596 1.00 0.00 C ATOM 151 CD1 TYR A 9 2.557 7.766 5.674 1.00 0.00 C ATOM 152 CD2 TYR A 9 3.925 5.836 5.454 1.00 0.00 C ATOM 153 CE1 TYR A 9 3.666 8.567 5.612 1.00 0.00 C ATOM 154 CE2 TYR A 9 5.048 6.635 5.386 1.00 0.00 C ATOM 155 CZ TYR A 9 4.908 8.002 5.468 1.00 0.00 C ATOM 156 OH TYR A 9 6.015 8.813 5.426 1.00 0.00 O ATOM 0 H TYR A 9 -0.679 6.934 4.584 1.00 0.00 H new ATOM 0 HA TYR A 9 1.335 5.015 3.620 1.00 0.00 H new ATOM 0 HB2 TYR A 9 0.767 5.943 6.451 1.00 0.00 H new ATOM 0 HB3 TYR A 9 1.735 4.535 6.061 1.00 0.00 H new ATOM 0 HD1 TYR A 9 1.583 8.218 5.786 1.00 0.00 H new ATOM 0 HD2 TYR A 9 4.031 4.763 5.396 1.00 0.00 H new ATOM 0 HE1 TYR A 9 3.563 9.640 5.676 1.00 0.00 H new ATOM 0 HE2 TYR A 9 6.026 6.193 5.270 1.00 0.00 H new ATOM 0 HH TYR A 9 6.820 8.263 5.322 1.00 0.00 H new ATOM 166 N ILE A 10 -0.072 3.074 4.358 1.00 0.00 N ATOM 167 CA ILE A 10 -0.980 1.984 4.607 1.00 0.00 C ATOM 168 C ILE A 10 -0.574 1.318 5.912 1.00 0.00 C ATOM 169 O ILE A 10 0.624 1.054 6.137 1.00 0.00 O ATOM 170 CB ILE A 10 -0.992 0.945 3.445 1.00 0.00 C ATOM 171 CG1 ILE A 10 -1.327 1.615 2.101 1.00 0.00 C ATOM 172 CG2 ILE A 10 -1.952 -0.204 3.721 1.00 0.00 C ATOM 173 CD1 ILE A 10 -2.637 2.380 2.089 1.00 0.00 C ATOM 0 H ILE A 10 0.834 2.797 3.979 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.993 2.380 4.675 1.00 0.00 H new ATOM 0 HB ILE A 10 0.014 0.529 3.381 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -0.519 2.298 1.839 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -1.361 0.849 1.326 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -1.930 -0.905 2.887 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -1.652 -0.717 4.635 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -2.963 0.187 3.840 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -2.793 2.819 1.104 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -3.458 1.700 2.317 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -2.603 3.171 2.838 1.00 0.00 H new ATOM 185 N ASP A 11 -1.549 1.081 6.772 1.00 0.00 N ATOM 186 CA ASP A 11 -1.318 0.482 8.074 1.00 0.00 C ATOM 187 C ASP A 11 -1.000 -0.977 7.936 1.00 0.00 C ATOM 188 O ASP A 11 -1.891 -1.823 7.802 1.00 0.00 O ATOM 189 CB ASP A 11 -2.501 0.706 9.046 1.00 0.00 C ATOM 190 CG ASP A 11 -2.299 0.057 10.427 1.00 0.00 C ATOM 191 OD1 ASP A 11 -1.297 0.372 11.109 1.00 0.00 O ATOM 192 OD2 ASP A 11 -3.158 -0.772 10.858 1.00 0.00 O ATOM 0 H ASP A 11 -2.528 1.300 6.586 1.00 0.00 H new ATOM 0 HA ASP A 11 -0.456 0.986 8.511 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -2.654 1.777 9.177 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -3.410 0.306 8.596 1.00 0.00 H new ATOM 197 N LEU A 12 0.280 -1.254 7.877 1.00 0.00 N ATOM 198 CA LEU A 12 0.782 -2.609 7.825 1.00 0.00 C ATOM 199 C LEU A 12 0.758 -3.171 9.226 1.00 0.00 C ATOM 200 O LEU A 12 0.906 -4.375 9.437 1.00 0.00 O ATOM 201 CB LEU A 12 2.197 -2.614 7.285 1.00 0.00 C ATOM 202 CG LEU A 12 2.391 -1.950 5.931 1.00 0.00 C ATOM 203 CD1 LEU A 12 3.853 -1.933 5.568 1.00 0.00 C ATOM 204 CD2 LEU A 12 1.572 -2.655 4.862 1.00 0.00 C ATOM 0 H LEU A 12 1.010 -0.541 7.864 1.00 0.00 H new ATOM 0 HA LEU A 12 0.163 -3.218 7.166 1.00 0.00 H new ATOM 0 HB2 LEU A 12 2.843 -2.117 8.008 1.00 0.00 H new ATOM 0 HB3 LEU A 12 2.535 -3.648 7.213 1.00 0.00 H new ATOM 0 HG LEU A 12 2.039 -0.920 5.993 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.981 -1.455 4.597 1.00 0.00 H new ATOM 0 HD12 LEU A 12 4.409 -1.376 6.322 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.228 -2.955 5.522 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.726 -2.163 3.902 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.886 -3.696 4.791 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.515 -2.612 5.126 1.00 0.00 H new ATOM 216 N ASN A 13 0.676 -2.236 10.182 1.00 0.00 N ATOM 217 CA ASN A 13 0.438 -2.470 11.619 1.00 0.00 C ATOM 218 C ASN A 13 1.609 -3.138 12.368 1.00 0.00 C ATOM 219 O ASN A 13 1.769 -2.951 13.570 1.00 0.00 O ATOM 220 CB ASN A 13 -0.873 -3.249 11.809 1.00 0.00 C ATOM 221 CG ASN A 13 -1.379 -3.223 13.224 1.00 0.00 C ATOM 222 OD1 ASN A 13 -1.075 -4.100 14.035 1.00 0.00 O ATOM 223 ND2 ASN A 13 -2.153 -2.214 13.532 1.00 0.00 N ATOM 0 H ASN A 13 0.779 -1.244 9.967 1.00 0.00 H new ATOM 0 HA ASN A 13 0.353 -1.485 12.079 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -1.635 -2.832 11.150 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -0.720 -4.284 11.504 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -2.531 -2.131 14.476 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -2.378 -1.511 12.828 1.00 0.00 H new ATOM 230 N ASN A 14 2.458 -3.836 11.648 1.00 0.00 N ATOM 231 CA ASN A 14 3.570 -4.610 12.230 1.00 0.00 C ATOM 232 C ASN A 14 4.800 -3.740 12.516 1.00 0.00 C ATOM 233 O ASN A 14 5.903 -4.243 12.690 1.00 0.00 O ATOM 234 CB ASN A 14 3.949 -5.807 11.319 1.00 0.00 C ATOM 235 CG ASN A 14 4.531 -5.408 9.965 1.00 0.00 C ATOM 236 OD1 ASN A 14 5.738 -5.264 9.808 1.00 0.00 O ATOM 237 ND2 ASN A 14 3.682 -5.234 8.975 1.00 0.00 N ATOM 0 H ASN A 14 2.409 -3.893 10.631 1.00 0.00 H new ATOM 0 HA ASN A 14 3.218 -4.996 13.187 1.00 0.00 H new ATOM 0 HB2 ASN A 14 4.673 -6.432 11.842 1.00 0.00 H new ATOM 0 HB3 ASN A 14 3.061 -6.418 11.154 1.00 0.00 H new ATOM 0 HD21 ASN A 14 4.024 -4.973 8.050 1.00 0.00 H new ATOM 0 HD22 ASN A 14 2.682 -5.360 9.132 1.00 0.00 H new ATOM 244 N GLY A 15 4.601 -2.446 12.580 1.00 0.00 N ATOM 245 CA GLY A 15 5.687 -1.556 12.942 1.00 0.00 C ATOM 246 C GLY A 15 6.294 -0.842 11.772 1.00 0.00 C ATOM 247 O GLY A 15 7.140 0.032 11.942 1.00 0.00 O ATOM 0 H GLY A 15 3.711 -1.986 12.390 1.00 0.00 H new ATOM 0 HA2 GLY A 15 5.319 -0.819 13.656 1.00 0.00 H new ATOM 0 HA3 GLY A 15 6.463 -2.130 13.449 1.00 0.00 H new ATOM 251 N LYS A 16 5.894 -1.211 10.595 1.00 0.00 N ATOM 252 CA LYS A 16 6.358 -0.550 9.410 1.00 0.00 C ATOM 253 C LYS A 16 5.166 -0.105 8.615 1.00 0.00 C ATOM 254 O LYS A 16 4.067 -0.653 8.786 1.00 0.00 O ATOM 255 CB LYS A 16 7.277 -1.460 8.579 1.00 0.00 C ATOM 256 CG LYS A 16 6.617 -2.734 8.058 1.00 0.00 C ATOM 257 CD LYS A 16 7.596 -3.603 7.275 1.00 0.00 C ATOM 258 CE LYS A 16 8.733 -4.093 8.157 1.00 0.00 C ATOM 259 NZ LYS A 16 9.702 -4.912 7.416 1.00 0.00 N ATOM 0 H LYS A 16 5.240 -1.975 10.426 1.00 0.00 H new ATOM 0 HA LYS A 16 6.955 0.318 9.690 1.00 0.00 H new ATOM 0 HB2 LYS A 16 7.657 -0.891 7.730 1.00 0.00 H new ATOM 0 HB3 LYS A 16 8.138 -1.737 9.188 1.00 0.00 H new ATOM 0 HG2 LYS A 16 6.216 -3.304 8.896 1.00 0.00 H new ATOM 0 HG3 LYS A 16 5.774 -2.471 7.419 1.00 0.00 H new ATOM 0 HD2 LYS A 16 7.068 -4.458 6.852 1.00 0.00 H new ATOM 0 HD3 LYS A 16 8.002 -3.033 6.439 1.00 0.00 H new ATOM 0 HE2 LYS A 16 9.245 -3.236 8.595 1.00 0.00 H new ATOM 0 HE3 LYS A 16 8.324 -4.676 8.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 10.458 -5.222 8.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 9.221 -5.745 7.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 10.114 -4.349 6.644 1.00 0.00 H new ATOM 273 N TYR A 17 5.350 0.884 7.803 1.00 0.00 N ATOM 274 CA TYR A 17 4.294 1.420 6.986 1.00 0.00 C ATOM 275 C TYR A 17 4.778 1.582 5.581 1.00 0.00 C ATOM 276 O TYR A 17 5.955 1.826 5.358 1.00 0.00 O ATOM 277 CB TYR A 17 3.792 2.762 7.538 1.00 0.00 C ATOM 278 CG TYR A 17 2.901 2.640 8.754 1.00 0.00 C ATOM 279 CD1 TYR A 17 3.417 2.369 10.014 1.00 0.00 C ATOM 280 CD2 TYR A 17 1.533 2.789 8.633 1.00 0.00 C ATOM 281 CE1 TYR A 17 2.590 2.246 11.106 1.00 0.00 C ATOM 282 CE2 TYR A 17 0.708 2.672 9.722 1.00 0.00 C ATOM 283 CZ TYR A 17 1.239 2.400 10.952 1.00 0.00 C ATOM 284 OH TYR A 17 0.411 2.268 12.030 1.00 0.00 O ATOM 0 H TYR A 17 6.247 1.353 7.682 1.00 0.00 H new ATOM 0 HA TYR A 17 3.457 0.722 7.000 1.00 0.00 H new ATOM 0 HB2 TYR A 17 4.652 3.381 7.793 1.00 0.00 H new ATOM 0 HB3 TYR A 17 3.245 3.283 6.752 1.00 0.00 H new ATOM 0 HD1 TYR A 17 4.484 2.253 10.139 1.00 0.00 H new ATOM 0 HD2 TYR A 17 1.106 3.001 7.664 1.00 0.00 H new ATOM 0 HE1 TYR A 17 3.004 2.029 12.079 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -0.359 2.794 9.608 1.00 0.00 H new ATOM 0 HH TYR A 17 -0.339 1.682 11.797 1.00 0.00 H new ATOM 294 N VAL A 18 3.894 1.427 4.644 1.00 0.00 N ATOM 295 CA VAL A 18 4.248 1.578 3.261 1.00 0.00 C ATOM 296 C VAL A 18 3.811 2.942 2.794 1.00 0.00 C ATOM 297 O VAL A 18 2.699 3.394 3.104 1.00 0.00 O ATOM 298 CB VAL A 18 3.664 0.438 2.351 1.00 0.00 C ATOM 299 CG1 VAL A 18 2.172 0.313 2.502 1.00 0.00 C ATOM 300 CG2 VAL A 18 4.030 0.650 0.889 1.00 0.00 C ATOM 0 H VAL A 18 2.915 1.194 4.811 1.00 0.00 H new ATOM 0 HA VAL A 18 5.331 1.489 3.173 1.00 0.00 H new ATOM 0 HB VAL A 18 4.117 -0.495 2.686 1.00 0.00 H new ATOM 0 HG11 VAL A 18 1.807 -0.486 1.857 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.929 0.081 3.539 1.00 0.00 H new ATOM 0 HG13 VAL A 18 1.698 1.253 2.220 1.00 0.00 H new ATOM 0 HG21 VAL A 18 3.610 -0.157 0.288 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.628 1.604 0.548 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.115 0.655 0.782 1.00 0.00 H new ATOM 310 N LYS A 19 4.701 3.604 2.119 1.00 0.00 N ATOM 311 CA LYS A 19 4.477 4.919 1.623 1.00 0.00 C ATOM 312 C LYS A 19 3.895 4.791 0.237 1.00 0.00 C ATOM 313 O LYS A 19 4.584 4.395 -0.710 1.00 0.00 O ATOM 314 CB LYS A 19 5.807 5.669 1.621 1.00 0.00 C ATOM 315 CG LYS A 19 5.756 7.109 1.167 1.00 0.00 C ATOM 316 CD LYS A 19 7.117 7.741 1.359 1.00 0.00 C ATOM 317 CE LYS A 19 7.160 9.179 0.902 1.00 0.00 C ATOM 318 NZ LYS A 19 8.473 9.793 1.209 1.00 0.00 N ATOM 0 H LYS A 19 5.624 3.232 1.895 1.00 0.00 H new ATOM 0 HA LYS A 19 3.779 5.481 2.244 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.218 5.642 2.630 1.00 0.00 H new ATOM 0 HB3 LYS A 19 6.504 5.131 0.978 1.00 0.00 H new ATOM 0 HG2 LYS A 19 5.462 7.162 0.119 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.005 7.656 1.737 1.00 0.00 H new ATOM 0 HD2 LYS A 19 7.391 7.690 2.413 1.00 0.00 H new ATOM 0 HD3 LYS A 19 7.861 7.166 0.808 1.00 0.00 H new ATOM 0 HE2 LYS A 19 6.972 9.230 -0.171 1.00 0.00 H new ATOM 0 HE3 LYS A 19 6.367 9.744 1.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 8.478 10.781 0.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 8.638 9.764 2.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 9.225 9.265 0.722 1.00 0.00 H new ATOM 332 N VAL A 20 2.636 5.080 0.124 1.00 0.00 N ATOM 333 CA VAL A 20 1.947 4.876 -1.105 1.00 0.00 C ATOM 334 C VAL A 20 1.433 6.191 -1.672 1.00 0.00 C ATOM 335 O VAL A 20 0.910 7.058 -0.949 1.00 0.00 O ATOM 336 CB VAL A 20 0.787 3.838 -0.939 1.00 0.00 C ATOM 337 CG1 VAL A 20 -0.260 4.321 0.046 1.00 0.00 C ATOM 338 CG2 VAL A 20 0.152 3.471 -2.278 1.00 0.00 C ATOM 0 H VAL A 20 2.063 5.461 0.877 1.00 0.00 H new ATOM 0 HA VAL A 20 2.659 4.463 -1.819 1.00 0.00 H new ATOM 0 HB VAL A 20 1.234 2.931 -0.531 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -1.049 3.574 0.134 1.00 0.00 H new ATOM 0 HG12 VAL A 20 0.202 4.478 1.021 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.687 5.259 -0.308 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.648 2.749 -2.116 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.258 4.367 -2.744 1.00 0.00 H new ATOM 0 HG23 VAL A 20 0.907 3.035 -2.932 1.00 0.00 H new ATOM 348 N ARG A 21 1.636 6.357 -2.940 1.00 0.00 N ATOM 349 CA ARG A 21 1.139 7.485 -3.644 1.00 0.00 C ATOM 350 C ARG A 21 -0.188 7.120 -4.289 1.00 0.00 C ATOM 351 O ARG A 21 -0.266 6.202 -5.115 1.00 0.00 O ATOM 352 CB ARG A 21 2.172 7.994 -4.664 1.00 0.00 C ATOM 353 CG ARG A 21 1.682 9.136 -5.541 1.00 0.00 C ATOM 354 CD ARG A 21 2.824 9.814 -6.302 1.00 0.00 C ATOM 355 NE ARG A 21 3.681 8.875 -7.053 1.00 0.00 N ATOM 356 CZ ARG A 21 4.487 9.224 -8.075 1.00 0.00 C ATOM 357 NH1 ARG A 21 4.482 10.479 -8.548 1.00 0.00 N ATOM 358 NH2 ARG A 21 5.306 8.323 -8.614 1.00 0.00 N ATOM 0 H ARG A 21 2.160 5.701 -3.519 1.00 0.00 H new ATOM 0 HA ARG A 21 0.965 8.309 -2.952 1.00 0.00 H new ATOM 0 HB2 ARG A 21 3.063 8.321 -4.128 1.00 0.00 H new ATOM 0 HB3 ARG A 21 2.472 7.164 -5.304 1.00 0.00 H new ATOM 0 HG2 ARG A 21 0.949 8.756 -6.253 1.00 0.00 H new ATOM 0 HG3 ARG A 21 1.172 9.874 -4.922 1.00 0.00 H new ATOM 0 HD2 ARG A 21 2.404 10.542 -6.996 1.00 0.00 H new ATOM 0 HD3 ARG A 21 3.441 10.368 -5.594 1.00 0.00 H new ATOM 0 HE ARG A 21 3.662 7.893 -6.779 1.00 0.00 H new ATOM 0 HH11 ARG A 21 3.865 11.178 -8.134 1.00 0.00 H new ATOM 0 HH12 ARG A 21 5.095 10.735 -9.322 1.00 0.00 H new ATOM 0 HH21 ARG A 21 5.323 7.369 -8.253 1.00 0.00 H new ATOM 0 HH22 ARG A 21 5.916 8.587 -9.388 1.00 0.00 H new ATOM 372 N ILE A 22 -1.221 7.791 -3.862 1.00 0.00 N ATOM 373 CA ILE A 22 -2.556 7.569 -4.349 1.00 0.00 C ATOM 374 C ILE A 22 -2.754 8.458 -5.546 1.00 0.00 C ATOM 375 O ILE A 22 -2.835 9.689 -5.404 1.00 0.00 O ATOM 376 CB ILE A 22 -3.626 7.949 -3.292 1.00 0.00 C ATOM 377 CG1 ILE A 22 -3.272 7.396 -1.901 1.00 0.00 C ATOM 378 CG2 ILE A 22 -5.004 7.453 -3.731 1.00 0.00 C ATOM 379 CD1 ILE A 22 -3.147 5.896 -1.826 1.00 0.00 C ATOM 0 H ILE A 22 -1.159 8.521 -3.153 1.00 0.00 H new ATOM 0 HA ILE A 22 -2.670 6.512 -4.588 1.00 0.00 H new ATOM 0 HB ILE A 22 -3.648 9.036 -3.217 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -2.331 7.841 -1.578 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -4.036 7.718 -1.193 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -5.745 7.726 -2.980 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -5.268 7.910 -4.685 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -4.982 6.369 -3.841 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -2.896 5.602 -0.807 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -4.093 5.437 -2.113 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -2.362 5.562 -2.504 1.00 0.00 H new ATOM 391 N LEU A 23 -2.783 7.864 -6.694 1.00 0.00 N ATOM 392 CA LEU A 23 -2.933 8.580 -7.926 1.00 0.00 C ATOM 393 C LEU A 23 -4.394 8.742 -8.197 1.00 0.00 C ATOM 394 O LEU A 23 -5.079 7.770 -8.465 1.00 0.00 O ATOM 395 CB LEU A 23 -2.311 7.775 -9.066 1.00 0.00 C ATOM 396 CG LEU A 23 -0.873 7.321 -8.862 1.00 0.00 C ATOM 397 CD1 LEU A 23 -0.431 6.442 -10.016 1.00 0.00 C ATOM 398 CD2 LEU A 23 0.039 8.517 -8.719 1.00 0.00 C ATOM 0 H LEU A 23 -2.702 6.854 -6.808 1.00 0.00 H new ATOM 0 HA LEU A 23 -2.441 9.550 -7.855 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -2.927 6.893 -9.238 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.355 8.377 -9.974 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.816 6.736 -7.944 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.600 6.124 -9.857 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -1.076 5.565 -10.074 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.498 7.004 -10.948 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.064 8.177 -8.574 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.017 9.127 -9.621 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -0.272 9.111 -7.859 1.00 0.00 H new ATOM 410 N LYS A 24 -4.879 9.928 -8.109 1.00 0.00 N ATOM 411 CA LYS A 24 -6.258 10.147 -8.354 1.00 0.00 C ATOM 412 C LYS A 24 -6.397 10.911 -9.631 1.00 0.00 C ATOM 413 O LYS A 24 -6.141 12.113 -9.688 1.00 0.00 O ATOM 414 CB LYS A 24 -6.910 10.867 -7.176 1.00 0.00 C ATOM 415 CG LYS A 24 -6.765 10.092 -5.867 1.00 0.00 C ATOM 416 CD LYS A 24 -7.459 10.763 -4.696 1.00 0.00 C ATOM 417 CE LYS A 24 -8.954 10.886 -4.921 1.00 0.00 C ATOM 418 NZ LYS A 24 -9.644 11.410 -3.735 1.00 0.00 N ATOM 0 H LYS A 24 -4.342 10.761 -7.869 1.00 0.00 H new ATOM 0 HA LYS A 24 -6.778 9.195 -8.457 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -6.460 11.853 -7.063 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -7.968 11.021 -7.388 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -7.174 9.090 -5.998 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -5.706 9.976 -5.636 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -7.274 10.190 -3.787 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -7.032 11.754 -4.540 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -9.141 11.544 -5.770 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -9.364 9.909 -5.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -10.663 11.479 -3.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -9.487 10.769 -2.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -9.271 12.353 -3.504 1.00 0.00 H new ATOM 432 N SER A 25 -6.814 10.219 -10.632 1.00 0.00 N ATOM 433 CA SER A 25 -6.908 10.752 -11.945 1.00 0.00 C ATOM 434 C SER A 25 -8.367 11.047 -12.275 1.00 0.00 C ATOM 435 O SER A 25 -9.217 10.129 -12.325 1.00 0.00 O ATOM 436 CB SER A 25 -6.282 9.733 -12.930 1.00 0.00 C ATOM 437 OG SER A 25 -6.253 10.190 -14.280 1.00 0.00 O ATOM 0 H SER A 25 -7.106 9.244 -10.559 1.00 0.00 H new ATOM 0 HA SER A 25 -6.363 11.692 -12.026 1.00 0.00 H new ATOM 0 HB2 SER A 25 -5.265 9.508 -12.609 1.00 0.00 H new ATOM 0 HB3 SER A 25 -6.845 8.801 -12.882 1.00 0.00 H new ATOM 0 HG SER A 25 -6.257 11.170 -14.294 1.00 0.00 H new ATOM 443 N ARG A 26 -8.676 12.324 -12.462 1.00 0.00 N ATOM 444 CA ARG A 26 -10.026 12.736 -12.836 1.00 0.00 C ATOM 445 C ARG A 26 -10.212 12.610 -14.330 1.00 0.00 C ATOM 446 O ARG A 26 -11.300 12.839 -14.845 1.00 0.00 O ATOM 447 CB ARG A 26 -10.334 14.169 -12.429 1.00 0.00 C ATOM 448 CG ARG A 26 -10.266 14.450 -10.946 1.00 0.00 C ATOM 449 CD ARG A 26 -10.753 15.859 -10.665 1.00 0.00 C ATOM 450 NE ARG A 26 -10.007 16.868 -11.426 1.00 0.00 N ATOM 451 CZ ARG A 26 -10.562 17.925 -12.034 1.00 0.00 C ATOM 452 NH1 ARG A 26 -11.882 18.124 -11.954 1.00 0.00 N ATOM 453 NH2 ARG A 26 -9.798 18.785 -12.704 1.00 0.00 N ATOM 0 H ARG A 26 -8.013 13.092 -12.361 1.00 0.00 H new ATOM 0 HA ARG A 26 -10.711 12.076 -12.304 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -9.636 14.832 -12.940 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -11.333 14.423 -12.784 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -10.877 13.729 -10.402 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -9.242 14.332 -10.591 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -11.812 15.931 -10.912 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -10.659 16.068 -9.599 1.00 0.00 H new ATOM 0 HE ARG A 26 -8.996 16.757 -11.497 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -12.465 17.471 -11.430 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -12.305 18.928 -12.417 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -8.790 18.639 -12.755 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -10.221 19.590 -13.167 1.00 0.00 H new ATOM 467 N ASP A 27 -9.123 12.261 -15.012 1.00 0.00 N ATOM 468 CA ASP A 27 -9.070 12.074 -16.473 1.00 0.00 C ATOM 469 C ASP A 27 -10.165 11.147 -16.942 1.00 0.00 C ATOM 470 O ASP A 27 -10.792 11.373 -17.974 1.00 0.00 O ATOM 471 CB ASP A 27 -7.710 11.507 -16.885 1.00 0.00 C ATOM 472 CG ASP A 27 -6.565 12.435 -16.571 1.00 0.00 C ATOM 473 OD1 ASP A 27 -6.235 12.608 -15.373 1.00 0.00 O ATOM 474 OD2 ASP A 27 -5.947 12.985 -17.512 1.00 0.00 O ATOM 0 H ASP A 27 -8.225 12.094 -14.558 1.00 0.00 H new ATOM 0 HA ASP A 27 -9.215 13.048 -16.940 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -7.550 10.556 -16.376 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -7.719 11.299 -17.955 1.00 0.00 H new ATOM 479 N ASP A 28 -10.388 10.096 -16.192 1.00 0.00 N ATOM 480 CA ASP A 28 -11.493 9.212 -16.479 1.00 0.00 C ATOM 481 C ASP A 28 -12.708 9.777 -15.782 1.00 0.00 C ATOM 482 O ASP A 28 -13.664 10.204 -16.418 1.00 0.00 O ATOM 483 CB ASP A 28 -11.201 7.811 -15.971 1.00 0.00 C ATOM 484 CG ASP A 28 -12.301 6.820 -16.291 1.00 0.00 C ATOM 485 OD1 ASP A 28 -12.252 6.204 -17.369 1.00 0.00 O ATOM 486 OD2 ASP A 28 -13.198 6.617 -15.458 1.00 0.00 O ATOM 0 H ASP A 28 -9.824 9.832 -15.384 1.00 0.00 H new ATOM 0 HA ASP A 28 -11.659 9.143 -17.554 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -10.266 7.460 -16.408 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -11.055 7.846 -14.891 1.00 0.00 H new ATOM 491 N ASN A 29 -12.607 9.856 -14.472 1.00 0.00 N ATOM 492 CA ASN A 29 -13.619 10.460 -13.615 1.00 0.00 C ATOM 493 C ASN A 29 -13.051 10.614 -12.233 1.00 0.00 C ATOM 494 O ASN A 29 -12.872 11.730 -11.750 1.00 0.00 O ATOM 495 CB ASN A 29 -14.950 9.668 -13.590 1.00 0.00 C ATOM 496 CG ASN A 29 -15.946 10.230 -12.583 1.00 0.00 C ATOM 497 OD1 ASN A 29 -16.655 11.193 -12.870 1.00 0.00 O ATOM 498 ND2 ASN A 29 -16.070 9.592 -11.439 1.00 0.00 N ATOM 0 H ASN A 29 -11.804 9.496 -13.957 1.00 0.00 H new ATOM 0 HA ASN A 29 -13.872 11.437 -14.028 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -15.396 9.683 -14.584 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -14.744 8.625 -13.349 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -16.770 9.893 -10.761 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -15.466 8.797 -11.231 1.00 0.00 H new ATOM 505 N SER A 30 -12.747 9.505 -11.608 1.00 0.00 N ATOM 506 CA SER A 30 -12.117 9.469 -10.308 1.00 0.00 C ATOM 507 C SER A 30 -11.463 8.116 -10.101 1.00 0.00 C ATOM 508 O SER A 30 -12.015 7.229 -9.452 1.00 0.00 O ATOM 509 CB SER A 30 -13.105 9.788 -9.163 1.00 0.00 C ATOM 510 OG SER A 30 -13.579 11.131 -9.249 1.00 0.00 O ATOM 0 H SER A 30 -12.934 8.580 -11.995 1.00 0.00 H new ATOM 0 HA SER A 30 -11.356 10.249 -10.282 1.00 0.00 H new ATOM 0 HB2 SER A 30 -13.948 9.099 -9.204 1.00 0.00 H new ATOM 0 HB3 SER A 30 -12.614 9.634 -8.202 1.00 0.00 H new ATOM 0 HG SER A 30 -13.121 11.593 -9.982 1.00 0.00 H new ATOM 516 N VAL A 31 -10.330 7.935 -10.722 1.00 0.00 N ATOM 517 CA VAL A 31 -9.608 6.696 -10.603 1.00 0.00 C ATOM 518 C VAL A 31 -8.612 6.845 -9.500 1.00 0.00 C ATOM 519 O VAL A 31 -7.720 7.685 -9.596 1.00 0.00 O ATOM 520 CB VAL A 31 -8.850 6.332 -11.914 1.00 0.00 C ATOM 521 CG1 VAL A 31 -8.130 4.990 -11.783 1.00 0.00 C ATOM 522 CG2 VAL A 31 -9.796 6.309 -13.091 1.00 0.00 C ATOM 0 H VAL A 31 -9.884 8.632 -11.318 1.00 0.00 H new ATOM 0 HA VAL A 31 -10.323 5.899 -10.399 1.00 0.00 H new ATOM 0 HB VAL A 31 -8.099 7.103 -12.087 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -7.610 4.764 -12.714 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -7.408 5.042 -10.968 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -8.857 4.206 -11.574 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -9.245 6.053 -13.996 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -10.575 5.566 -12.918 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -10.252 7.292 -13.210 1.00 0.00 H new ATOM 532 N GLU A 32 -8.795 6.111 -8.436 1.00 0.00 N ATOM 533 CA GLU A 32 -7.834 6.121 -7.372 1.00 0.00 C ATOM 534 C GLU A 32 -6.938 4.953 -7.573 1.00 0.00 C ATOM 535 O GLU A 32 -7.263 3.822 -7.210 1.00 0.00 O ATOM 536 CB GLU A 32 -8.475 6.089 -5.990 1.00 0.00 C ATOM 537 CG GLU A 32 -9.496 7.182 -5.742 1.00 0.00 C ATOM 538 CD GLU A 32 -9.988 7.185 -4.318 1.00 0.00 C ATOM 539 OE1 GLU A 32 -10.616 6.197 -3.890 1.00 0.00 O ATOM 540 OE2 GLU A 32 -9.732 8.158 -3.583 1.00 0.00 O ATOM 0 H GLU A 32 -9.599 5.501 -8.285 1.00 0.00 H new ATOM 0 HA GLU A 32 -7.274 7.056 -7.406 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -8.957 5.121 -5.850 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -7.690 6.166 -5.238 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -9.053 8.151 -5.974 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -10.341 7.048 -6.417 1.00 0.00 H new ATOM 547 N LYS A 33 -5.861 5.204 -8.203 1.00 0.00 N ATOM 548 CA LYS A 33 -4.967 4.191 -8.546 1.00 0.00 C ATOM 549 C LYS A 33 -3.849 4.195 -7.553 1.00 0.00 C ATOM 550 O LYS A 33 -3.175 5.200 -7.356 1.00 0.00 O ATOM 551 CB LYS A 33 -4.458 4.420 -9.963 1.00 0.00 C ATOM 552 CG LYS A 33 -4.414 3.161 -10.794 1.00 0.00 C ATOM 553 CD LYS A 33 -3.362 2.171 -10.296 1.00 0.00 C ATOM 554 CE LYS A 33 -3.347 0.898 -11.128 1.00 0.00 C ATOM 555 NZ LYS A 33 -4.594 0.102 -10.991 1.00 0.00 N ATOM 0 H LYS A 33 -5.576 6.138 -8.498 1.00 0.00 H new ATOM 0 HA LYS A 33 -5.455 3.217 -8.524 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -5.098 5.151 -10.457 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -3.458 4.851 -9.917 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -5.394 2.684 -10.778 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -4.202 3.421 -11.831 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -2.378 2.639 -10.329 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -3.562 1.922 -9.254 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -3.201 1.157 -12.177 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -2.496 0.285 -10.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -4.957 -0.140 -11.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -4.392 -0.771 -10.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -5.307 0.659 -10.479 1.00 0.00 H new ATOM 569 N TYR A 34 -3.690 3.112 -6.889 1.00 0.00 N ATOM 570 CA TYR A 34 -2.641 2.994 -5.946 1.00 0.00 C ATOM 571 C TYR A 34 -1.380 2.679 -6.721 1.00 0.00 C ATOM 572 O TYR A 34 -1.384 1.789 -7.584 1.00 0.00 O ATOM 573 CB TYR A 34 -2.986 1.925 -4.918 1.00 0.00 C ATOM 574 CG TYR A 34 -4.321 2.187 -4.218 1.00 0.00 C ATOM 575 CD1 TYR A 34 -4.412 3.079 -3.169 1.00 0.00 C ATOM 576 CD2 TYR A 34 -5.484 1.540 -4.620 1.00 0.00 C ATOM 577 CE1 TYR A 34 -5.622 3.325 -2.533 1.00 0.00 C ATOM 578 CE2 TYR A 34 -6.690 1.775 -3.993 1.00 0.00 C ATOM 579 CZ TYR A 34 -6.756 2.665 -2.952 1.00 0.00 C ATOM 580 OH TYR A 34 -7.963 2.886 -2.316 1.00 0.00 O ATOM 0 H TYR A 34 -4.280 2.285 -6.982 1.00 0.00 H new ATOM 0 HA TYR A 34 -2.491 3.916 -5.385 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -3.023 0.953 -5.409 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -2.193 1.875 -4.172 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -3.524 3.596 -2.836 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -5.442 0.839 -5.440 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -5.673 4.029 -1.716 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -7.580 1.259 -4.321 1.00 0.00 H new ATOM 0 HH TYR A 34 -8.660 2.341 -2.738 1.00 0.00 H new ATOM 590 N VAL A 35 -0.309 3.369 -6.402 1.00 0.00 N ATOM 591 CA VAL A 35 0.911 3.339 -7.197 1.00 0.00 C ATOM 592 C VAL A 35 1.566 1.935 -7.209 1.00 0.00 C ATOM 593 O VAL A 35 1.263 1.066 -6.376 1.00 0.00 O ATOM 594 CB VAL A 35 1.913 4.429 -6.683 1.00 0.00 C ATOM 595 CG1 VAL A 35 2.452 4.098 -5.305 1.00 0.00 C ATOM 596 CG2 VAL A 35 3.037 4.726 -7.676 1.00 0.00 C ATOM 0 H VAL A 35 -0.253 3.972 -5.581 1.00 0.00 H new ATOM 0 HA VAL A 35 0.644 3.566 -8.229 1.00 0.00 H new ATOM 0 HB VAL A 35 1.336 5.349 -6.595 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.142 4.879 -4.987 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.626 4.034 -4.597 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.976 3.143 -5.339 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.697 5.488 -7.262 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.607 3.816 -7.863 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.610 5.086 -8.612 1.00 0.00 H new ATOM 606 N LEU A 36 2.414 1.715 -8.190 1.00 0.00 N ATOM 607 CA LEU A 36 3.057 0.448 -8.417 1.00 0.00 C ATOM 608 C LEU A 36 4.206 0.210 -7.450 1.00 0.00 C ATOM 609 O LEU A 36 4.688 -0.912 -7.333 1.00 0.00 O ATOM 610 CB LEU A 36 3.567 0.346 -9.871 1.00 0.00 C ATOM 611 CG LEU A 36 2.530 0.300 -11.027 1.00 0.00 C ATOM 612 CD1 LEU A 36 1.548 -0.841 -10.849 1.00 0.00 C ATOM 613 CD2 LEU A 36 1.800 1.631 -11.215 1.00 0.00 C ATOM 0 H LEU A 36 2.679 2.432 -8.865 1.00 0.00 H new ATOM 0 HA LEU A 36 2.307 -0.324 -8.244 1.00 0.00 H new ATOM 0 HB2 LEU A 36 4.224 1.197 -10.051 1.00 0.00 H new ATOM 0 HB3 LEU A 36 4.181 -0.552 -9.943 1.00 0.00 H new ATOM 0 HG LEU A 36 3.096 0.118 -11.941 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.838 -0.842 -11.676 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.089 -1.787 -10.834 1.00 0.00 H new ATOM 0 HD13 LEU A 36 1.010 -0.715 -9.909 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.088 1.543 -12.035 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.268 1.887 -10.299 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.523 2.413 -11.445 1.00 0.00 H new ATOM 625 N THR A 37 4.630 1.238 -6.747 1.00 0.00 N ATOM 626 CA THR A 37 5.724 1.080 -5.842 1.00 0.00 C ATOM 627 C THR A 37 5.198 0.715 -4.454 1.00 0.00 C ATOM 628 O THR A 37 4.055 1.037 -4.098 1.00 0.00 O ATOM 629 CB THR A 37 6.658 2.335 -5.792 1.00 0.00 C ATOM 630 OG1 THR A 37 7.832 2.032 -5.036 1.00 0.00 O ATOM 631 CG2 THR A 37 5.970 3.545 -5.174 1.00 0.00 C ATOM 0 H THR A 37 4.233 2.177 -6.790 1.00 0.00 H new ATOM 0 HA THR A 37 6.345 0.265 -6.213 1.00 0.00 H new ATOM 0 HB THR A 37 6.917 2.585 -6.821 1.00 0.00 H new ATOM 0 HG1 THR A 37 8.605 1.987 -5.636 1.00 0.00 H new ATOM 0 HG21 THR A 37 6.660 4.389 -5.162 1.00 0.00 H new ATOM 0 HG22 THR A 37 5.090 3.803 -5.763 1.00 0.00 H new ATOM 0 HG23 THR A 37 5.667 3.310 -4.154 1.00 0.00 H new ATOM 639 N SER A 38 5.991 -0.020 -3.725 1.00 0.00 N ATOM 640 CA SER A 38 5.618 -0.503 -2.426 1.00 0.00 C ATOM 641 C SER A 38 6.699 -0.208 -1.366 1.00 0.00 C ATOM 642 O SER A 38 6.817 -0.936 -0.391 1.00 0.00 O ATOM 643 CB SER A 38 5.319 -1.992 -2.534 1.00 0.00 C ATOM 644 OG SER A 38 4.315 -2.213 -3.530 1.00 0.00 O ATOM 0 H SER A 38 6.925 -0.303 -4.020 1.00 0.00 H new ATOM 0 HA SER A 38 4.725 0.023 -2.089 1.00 0.00 H new ATOM 0 HB2 SER A 38 6.227 -2.537 -2.792 1.00 0.00 H new ATOM 0 HB3 SER A 38 4.980 -2.375 -1.571 1.00 0.00 H new ATOM 0 HG SER A 38 4.127 -3.172 -3.597 1.00 0.00 H new ATOM 650 N HIS A 39 7.498 0.847 -1.582 1.00 0.00 N ATOM 651 CA HIS A 39 8.564 1.211 -0.615 1.00 0.00 C ATOM 652 C HIS A 39 8.027 1.462 0.790 1.00 0.00 C ATOM 653 O HIS A 39 7.048 2.198 0.985 1.00 0.00 O ATOM 654 CB HIS A 39 9.422 2.400 -1.070 1.00 0.00 C ATOM 655 CG HIS A 39 10.440 2.061 -2.110 1.00 0.00 C ATOM 656 ND1 HIS A 39 11.692 1.589 -1.804 1.00 0.00 N ATOM 657 CD2 HIS A 39 10.390 2.128 -3.452 1.00 0.00 C ATOM 658 CE1 HIS A 39 12.366 1.380 -2.910 1.00 0.00 C ATOM 659 NE2 HIS A 39 11.597 1.699 -3.926 1.00 0.00 N ATOM 0 H HIS A 39 7.436 1.457 -2.397 1.00 0.00 H new ATOM 0 HA HIS A 39 9.210 0.334 -0.582 1.00 0.00 H new ATOM 0 HB2 HIS A 39 8.766 3.178 -1.460 1.00 0.00 H new ATOM 0 HB3 HIS A 39 9.932 2.819 -0.202 1.00 0.00 H new ATOM 0 HD2 HIS A 39 9.551 2.460 -4.045 1.00 0.00 H new ATOM 0 HE1 HIS A 39 13.378 1.010 -2.974 1.00 0.00 H new ATOM 0 HE2 HIS A 39 11.859 1.636 -4.910 1.00 0.00 H new ATOM 668 N VAL A 40 8.679 0.871 1.751 1.00 0.00 N ATOM 669 CA VAL A 40 8.255 0.948 3.122 1.00 0.00 C ATOM 670 C VAL A 40 9.176 1.769 3.972 1.00 0.00 C ATOM 671 O VAL A 40 10.343 1.969 3.654 1.00 0.00 O ATOM 672 CB VAL A 40 8.060 -0.441 3.782 1.00 0.00 C ATOM 673 CG1 VAL A 40 6.848 -1.120 3.225 1.00 0.00 C ATOM 674 CG2 VAL A 40 9.286 -1.318 3.590 1.00 0.00 C ATOM 0 H VAL A 40 9.524 0.319 1.605 1.00 0.00 H new ATOM 0 HA VAL A 40 7.286 1.445 3.074 1.00 0.00 H new ATOM 0 HB VAL A 40 7.918 -0.285 4.851 1.00 0.00 H new ATOM 0 HG11 VAL A 40 6.726 -2.094 3.699 1.00 0.00 H new ATOM 0 HG12 VAL A 40 5.967 -0.509 3.420 1.00 0.00 H new ATOM 0 HG13 VAL A 40 6.967 -1.253 2.150 1.00 0.00 H new ATOM 0 HG21 VAL A 40 9.119 -2.285 4.064 1.00 0.00 H new ATOM 0 HG22 VAL A 40 9.467 -1.462 2.525 1.00 0.00 H new ATOM 0 HG23 VAL A 40 10.152 -0.837 4.044 1.00 0.00 H new ATOM 684 N SER A 41 8.618 2.266 5.017 1.00 0.00 N ATOM 685 CA SER A 41 9.312 2.974 6.014 1.00 0.00 C ATOM 686 C SER A 41 9.135 2.195 7.314 1.00 0.00 C ATOM 687 O SER A 41 8.007 1.855 7.699 1.00 0.00 O ATOM 688 CB SER A 41 8.736 4.382 6.110 1.00 0.00 C ATOM 689 OG SER A 41 8.800 5.014 4.833 1.00 0.00 O ATOM 0 H SER A 41 7.618 2.182 5.202 1.00 0.00 H new ATOM 0 HA SER A 41 10.375 3.071 5.792 1.00 0.00 H new ATOM 0 HB2 SER A 41 7.703 4.340 6.455 1.00 0.00 H new ATOM 0 HB3 SER A 41 9.294 4.964 6.843 1.00 0.00 H new ATOM 0 HG SER A 41 8.428 5.918 4.897 1.00 0.00 H new ATOM 695 N LYS A 42 10.230 1.886 7.965 1.00 0.00 N ATOM 696 CA LYS A 42 10.208 1.081 9.185 1.00 0.00 C ATOM 697 C LYS A 42 10.051 1.947 10.419 1.00 0.00 C ATOM 698 O LYS A 42 10.289 1.512 11.558 1.00 0.00 O ATOM 699 CB LYS A 42 11.454 0.202 9.280 1.00 0.00 C ATOM 700 CG LYS A 42 12.788 0.935 9.228 1.00 0.00 C ATOM 701 CD LYS A 42 13.946 -0.055 9.189 1.00 0.00 C ATOM 702 CE LYS A 42 13.919 -1.012 10.376 1.00 0.00 C ATOM 703 NZ LYS A 42 15.001 -2.003 10.313 1.00 0.00 N ATOM 0 H LYS A 42 11.163 2.179 7.674 1.00 0.00 H new ATOM 0 HA LYS A 42 9.338 0.427 9.135 1.00 0.00 H new ATOM 0 HB2 LYS A 42 11.407 -0.362 10.211 1.00 0.00 H new ATOM 0 HB3 LYS A 42 11.427 -0.523 8.466 1.00 0.00 H new ATOM 0 HG2 LYS A 42 12.822 1.577 8.347 1.00 0.00 H new ATOM 0 HG3 LYS A 42 12.887 1.583 10.099 1.00 0.00 H new ATOM 0 HD2 LYS A 42 13.904 -0.626 8.262 1.00 0.00 H new ATOM 0 HD3 LYS A 42 14.890 0.491 9.184 1.00 0.00 H new ATOM 0 HE2 LYS A 42 14.003 -0.443 11.302 1.00 0.00 H new ATOM 0 HE3 LYS A 42 12.958 -1.526 10.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 14.944 -2.632 11.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 14.907 -2.565 9.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 15.919 -1.515 10.312 1.00 0.00 H new ATOM 717 N ASN A 43 9.649 3.151 10.185 1.00 0.00 N ATOM 718 CA ASN A 43 9.390 4.102 11.212 1.00 0.00 C ATOM 719 C ASN A 43 7.975 4.556 11.020 1.00 0.00 C ATOM 720 O ASN A 43 7.552 4.804 9.885 1.00 0.00 O ATOM 721 CB ASN A 43 10.377 5.279 11.137 1.00 0.00 C ATOM 722 CG ASN A 43 11.822 4.826 11.290 1.00 0.00 C ATOM 723 OD1 ASN A 43 12.513 4.515 10.300 1.00 0.00 O ATOM 724 ND2 ASN A 43 12.296 4.769 12.506 1.00 0.00 N ATOM 0 H ASN A 43 9.487 3.511 9.245 1.00 0.00 H new ATOM 0 HA ASN A 43 9.523 3.662 12.200 1.00 0.00 H new ATOM 0 HB2 ASN A 43 10.257 5.791 10.182 1.00 0.00 H new ATOM 0 HB3 ASN A 43 10.139 6.001 11.918 1.00 0.00 H new ATOM 0 HD21 ASN A 43 13.256 4.464 12.665 1.00 0.00 H new ATOM 0 HD22 ASN A 43 11.706 5.030 13.296 1.00 0.00 H new ATOM 731 N ARG A 44 7.235 4.611 12.088 1.00 0.00 N ATOM 732 CA ARG A 44 5.830 4.926 12.024 1.00 0.00 C ATOM 733 C ARG A 44 5.608 6.426 11.831 1.00 0.00 C ATOM 734 O ARG A 44 6.352 7.241 12.385 1.00 0.00 O ATOM 735 CB ARG A 44 5.094 4.401 13.269 1.00 0.00 C ATOM 736 CG ARG A 44 5.217 2.886 13.451 1.00 0.00 C ATOM 737 CD ARG A 44 4.298 2.363 14.550 1.00 0.00 C ATOM 738 NE ARG A 44 4.623 2.912 15.869 1.00 0.00 N ATOM 739 CZ ARG A 44 3.746 3.098 16.862 1.00 0.00 C ATOM 740 NH1 ARG A 44 2.462 2.774 16.697 1.00 0.00 N ATOM 741 NH2 ARG A 44 4.160 3.595 18.017 1.00 0.00 N ATOM 0 H ARG A 44 7.584 4.439 13.031 1.00 0.00 H new ATOM 0 HA ARG A 44 5.410 4.422 11.154 1.00 0.00 H new ATOM 0 HB2 ARG A 44 5.490 4.900 14.154 1.00 0.00 H new ATOM 0 HB3 ARG A 44 4.039 4.667 13.198 1.00 0.00 H new ATOM 0 HG2 ARG A 44 4.978 2.388 12.511 1.00 0.00 H new ATOM 0 HG3 ARG A 44 6.250 2.633 13.692 1.00 0.00 H new ATOM 0 HD2 ARG A 44 3.266 2.610 14.303 1.00 0.00 H new ATOM 0 HD3 ARG A 44 4.365 1.276 14.587 1.00 0.00 H new ATOM 0 HE ARG A 44 5.594 3.173 16.044 1.00 0.00 H new ATOM 0 HH11 ARG A 44 2.145 2.382 15.810 1.00 0.00 H new ATOM 0 HH12 ARG A 44 1.798 2.918 17.458 1.00 0.00 H new ATOM 0 HH21 ARG A 44 5.143 3.834 18.146 1.00 0.00 H new ATOM 0 HH22 ARG A 44 3.496 3.739 18.778 1.00 0.00 H new ATOM 755 N PRO A 45 4.607 6.812 11.019 1.00 0.00 N ATOM 756 CA PRO A 45 4.310 8.213 10.749 1.00 0.00 C ATOM 757 C PRO A 45 3.792 8.957 11.980 1.00 0.00 C ATOM 758 O PRO A 45 3.159 8.370 12.880 1.00 0.00 O ATOM 759 CB PRO A 45 3.208 8.172 9.676 1.00 0.00 C ATOM 760 CG PRO A 45 3.166 6.770 9.192 1.00 0.00 C ATOM 761 CD PRO A 45 3.693 5.918 10.299 1.00 0.00 C ATOM 0 HA PRO A 45 5.210 8.743 10.439 1.00 0.00 H new ATOM 0 HB2 PRO A 45 2.246 8.471 10.092 1.00 0.00 H new ATOM 0 HB3 PRO A 45 3.430 8.860 8.861 1.00 0.00 H new ATOM 0 HG2 PRO A 45 2.148 6.481 8.932 1.00 0.00 H new ATOM 0 HG3 PRO A 45 3.770 6.653 8.292 1.00 0.00 H new ATOM 0 HD2 PRO A 45 2.892 5.559 10.945 1.00 0.00 H new ATOM 0 HD3 PRO A 45 4.211 5.039 9.916 1.00 0.00 H new ATOM 769 N LYS A 46 4.065 10.233 12.014 1.00 0.00 N ATOM 770 CA LYS A 46 3.605 11.097 13.066 1.00 0.00 C ATOM 771 C LYS A 46 2.256 11.672 12.646 1.00 0.00 C ATOM 772 O LYS A 46 1.219 11.382 13.247 1.00 0.00 O ATOM 773 CB LYS A 46 4.626 12.222 13.293 1.00 0.00 C ATOM 774 CG LYS A 46 4.247 13.220 14.375 1.00 0.00 C ATOM 775 CD LYS A 46 5.281 14.322 14.473 1.00 0.00 C ATOM 776 CE LYS A 46 4.911 15.349 15.527 1.00 0.00 C ATOM 777 NZ LYS A 46 5.905 16.435 15.591 1.00 0.00 N ATOM 0 H LYS A 46 4.620 10.708 11.302 1.00 0.00 H new ATOM 0 HA LYS A 46 3.496 10.545 14.000 1.00 0.00 H new ATOM 0 HB2 LYS A 46 5.586 11.775 13.551 1.00 0.00 H new ATOM 0 HB3 LYS A 46 4.767 12.760 12.356 1.00 0.00 H new ATOM 0 HG2 LYS A 46 3.270 13.650 14.154 1.00 0.00 H new ATOM 0 HG3 LYS A 46 4.161 12.709 15.334 1.00 0.00 H new ATOM 0 HD2 LYS A 46 6.252 13.889 14.712 1.00 0.00 H new ATOM 0 HD3 LYS A 46 5.381 14.814 13.505 1.00 0.00 H new ATOM 0 HE2 LYS A 46 3.929 15.765 15.303 1.00 0.00 H new ATOM 0 HE3 LYS A 46 4.837 14.864 16.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 5.624 17.121 16.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 6.837 16.039 15.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 5.957 16.913 14.669 1.00 0.00 H new ATOM 791 N ASN A 47 2.288 12.440 11.586 1.00 0.00 N ATOM 792 CA ASN A 47 1.109 13.056 11.014 1.00 0.00 C ATOM 793 C ASN A 47 1.014 12.670 9.559 1.00 0.00 C ATOM 794 O ASN A 47 1.764 13.190 8.720 1.00 0.00 O ATOM 795 CB ASN A 47 1.162 14.595 11.153 1.00 0.00 C ATOM 796 CG ASN A 47 0.059 15.324 10.371 1.00 0.00 C ATOM 797 OD1 ASN A 47 -1.054 14.815 10.173 1.00 0.00 O ATOM 798 ND2 ASN A 47 0.366 16.506 9.908 1.00 0.00 N ATOM 0 H ASN A 47 3.148 12.661 11.085 1.00 0.00 H new ATOM 0 HA ASN A 47 0.229 12.704 11.552 1.00 0.00 H new ATOM 0 HB2 ASN A 47 1.082 14.859 12.208 1.00 0.00 H new ATOM 0 HB3 ASN A 47 2.134 14.949 10.809 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -0.318 17.036 9.368 1.00 0.00 H new ATOM 0 HD22 ASN A 47 1.290 16.900 10.087 1.00 0.00 H new ATOM 805 N ALA A 48 0.165 11.723 9.283 1.00 0.00 N ATOM 806 CA ALA A 48 -0.104 11.242 7.955 1.00 0.00 C ATOM 807 C ALA A 48 -1.330 10.378 8.029 1.00 0.00 C ATOM 808 O ALA A 48 -1.616 9.806 9.087 1.00 0.00 O ATOM 809 CB ALA A 48 1.066 10.432 7.417 1.00 0.00 C ATOM 0 H ALA A 48 -0.380 11.246 10.001 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.256 12.084 7.280 1.00 0.00 H new ATOM 0 HB1 ALA A 48 0.834 10.081 6.411 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.958 11.058 7.386 1.00 0.00 H new ATOM 0 HB3 ALA A 48 1.245 9.576 8.067 1.00 0.00 H new ATOM 815 N ILE A 49 -2.058 10.292 6.967 1.00 0.00 N ATOM 816 CA ILE A 49 -3.240 9.482 6.956 1.00 0.00 C ATOM 817 C ILE A 49 -2.859 8.043 6.666 1.00 0.00 C ATOM 818 O ILE A 49 -2.207 7.750 5.649 1.00 0.00 O ATOM 819 CB ILE A 49 -4.291 9.996 5.926 1.00 0.00 C ATOM 820 CG1 ILE A 49 -4.738 11.437 6.269 1.00 0.00 C ATOM 821 CG2 ILE A 49 -5.497 9.062 5.851 1.00 0.00 C ATOM 822 CD1 ILE A 49 -5.371 11.597 7.640 1.00 0.00 C ATOM 0 H ILE A 49 -1.859 10.773 6.090 1.00 0.00 H new ATOM 0 HA ILE A 49 -3.708 9.545 7.939 1.00 0.00 H new ATOM 0 HB ILE A 49 -3.815 10.008 4.945 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -3.872 12.096 6.205 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -5.450 11.771 5.514 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -6.212 9.448 5.124 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -5.169 8.068 5.545 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -5.972 9.002 6.830 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -5.652 12.639 7.792 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -6.259 10.968 7.706 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -4.657 11.298 8.408 1.00 0.00 H new ATOM 834 N VAL A 50 -3.203 7.171 7.579 1.00 0.00 N ATOM 835 CA VAL A 50 -2.921 5.769 7.431 1.00 0.00 C ATOM 836 C VAL A 50 -4.195 5.011 7.078 1.00 0.00 C ATOM 837 O VAL A 50 -5.229 5.148 7.747 1.00 0.00 O ATOM 838 CB VAL A 50 -2.214 5.148 8.689 1.00 0.00 C ATOM 839 CG1 VAL A 50 -0.867 5.813 8.924 1.00 0.00 C ATOM 840 CG2 VAL A 50 -3.067 5.257 9.948 1.00 0.00 C ATOM 0 H VAL A 50 -3.686 7.414 8.444 1.00 0.00 H new ATOM 0 HA VAL A 50 -2.210 5.668 6.611 1.00 0.00 H new ATOM 0 HB VAL A 50 -2.069 4.088 8.479 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.391 5.371 9.799 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -0.231 5.665 8.051 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -1.012 6.880 9.090 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.533 4.813 10.789 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -3.270 6.307 10.160 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.008 4.729 9.796 1.00 0.00 H new ATOM 850 N ILE A 51 -4.151 4.278 6.008 1.00 0.00 N ATOM 851 CA ILE A 51 -5.292 3.505 5.557 1.00 0.00 C ATOM 852 C ILE A 51 -5.033 2.040 5.878 1.00 0.00 C ATOM 853 O ILE A 51 -3.949 1.542 5.623 1.00 0.00 O ATOM 854 CB ILE A 51 -5.523 3.685 4.027 1.00 0.00 C ATOM 855 CG1 ILE A 51 -5.673 5.181 3.681 1.00 0.00 C ATOM 856 CG2 ILE A 51 -6.762 2.911 3.575 1.00 0.00 C ATOM 857 CD1 ILE A 51 -5.825 5.468 2.197 1.00 0.00 C ATOM 0 H ILE A 51 -3.326 4.192 5.414 1.00 0.00 H new ATOM 0 HA ILE A 51 -6.190 3.853 6.068 1.00 0.00 H new ATOM 0 HB ILE A 51 -4.656 3.288 3.499 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -6.541 5.578 4.207 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -4.801 5.718 4.055 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -6.907 3.049 2.504 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -6.627 1.851 3.789 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.637 3.280 4.110 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -5.925 6.542 2.043 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -4.946 5.105 1.664 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -6.714 4.963 1.818 1.00 0.00 H new ATOM 869 N LYS A 52 -5.998 1.371 6.452 1.00 0.00 N ATOM 870 CA LYS A 52 -5.829 -0.009 6.857 1.00 0.00 C ATOM 871 C LYS A 52 -5.909 -0.932 5.628 1.00 0.00 C ATOM 872 O LYS A 52 -6.768 -0.734 4.768 1.00 0.00 O ATOM 873 CB LYS A 52 -6.900 -0.346 7.911 1.00 0.00 C ATOM 874 CG LYS A 52 -6.804 -1.726 8.520 1.00 0.00 C ATOM 875 CD LYS A 52 -7.780 -1.887 9.668 1.00 0.00 C ATOM 876 CE LYS A 52 -7.724 -3.278 10.302 1.00 0.00 C ATOM 877 NZ LYS A 52 -8.129 -4.349 9.366 1.00 0.00 N ATOM 0 H LYS A 52 -6.919 1.760 6.653 1.00 0.00 H new ATOM 0 HA LYS A 52 -4.847 -0.162 7.305 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -6.840 0.390 8.712 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -7.883 -0.238 7.452 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -7.008 -2.478 7.758 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -5.788 -1.900 8.875 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -7.566 -1.137 10.429 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -8.791 -1.697 9.309 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -6.711 -3.472 10.653 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -8.374 -3.301 11.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -8.352 -5.212 9.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -8.969 -4.045 8.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -7.351 -4.543 8.704 1.00 0.00 H new ATOM 891 N MET A 53 -5.043 -1.976 5.593 1.00 0.00 N ATOM 892 CA MET A 53 -4.911 -2.909 4.427 1.00 0.00 C ATOM 893 C MET A 53 -6.227 -3.552 4.035 1.00 0.00 C ATOM 894 O MET A 53 -6.448 -3.887 2.876 1.00 0.00 O ATOM 895 CB MET A 53 -3.877 -4.015 4.689 1.00 0.00 C ATOM 896 CG MET A 53 -2.442 -3.524 4.842 1.00 0.00 C ATOM 897 SD MET A 53 -1.229 -4.868 4.933 1.00 0.00 S ATOM 898 CE MET A 53 -1.744 -5.725 6.418 1.00 0.00 C ATOM 0 H MET A 53 -4.415 -2.201 6.365 1.00 0.00 H new ATOM 0 HA MET A 53 -4.572 -2.284 3.601 1.00 0.00 H new ATOM 0 HB2 MET A 53 -4.161 -4.552 5.594 1.00 0.00 H new ATOM 0 HB3 MET A 53 -3.916 -4.731 3.868 1.00 0.00 H new ATOM 0 HG2 MET A 53 -2.195 -2.878 4.000 1.00 0.00 H new ATOM 0 HG3 MET A 53 -2.368 -2.916 5.743 1.00 0.00 H new ATOM 0 HE1 MET A 53 -0.980 -6.448 6.704 1.00 0.00 H new ATOM 0 HE2 MET A 53 -1.882 -5.005 7.224 1.00 0.00 H new ATOM 0 HE3 MET A 53 -2.684 -6.244 6.231 1.00 0.00 H new ATOM 908 N ASP A 54 -7.085 -3.706 5.007 1.00 0.00 N ATOM 909 CA ASP A 54 -8.425 -4.290 4.827 1.00 0.00 C ATOM 910 C ASP A 54 -9.265 -3.511 3.786 1.00 0.00 C ATOM 911 O ASP A 54 -10.105 -4.085 3.093 1.00 0.00 O ATOM 912 CB ASP A 54 -9.142 -4.289 6.173 1.00 0.00 C ATOM 913 CG ASP A 54 -10.472 -4.998 6.150 1.00 0.00 C ATOM 914 OD1 ASP A 54 -10.492 -6.225 6.355 1.00 0.00 O ATOM 915 OD2 ASP A 54 -11.514 -4.347 6.002 1.00 0.00 O ATOM 0 H ASP A 54 -6.888 -3.431 5.969 1.00 0.00 H new ATOM 0 HA ASP A 54 -8.309 -5.307 4.452 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -8.501 -4.762 6.917 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -9.295 -3.258 6.493 1.00 0.00 H new ATOM 920 N ASN A 55 -8.982 -2.221 3.657 1.00 0.00 N ATOM 921 CA ASN A 55 -9.721 -1.324 2.755 1.00 0.00 C ATOM 922 C ASN A 55 -9.030 -1.262 1.380 1.00 0.00 C ATOM 923 O ASN A 55 -9.506 -0.621 0.436 1.00 0.00 O ATOM 924 CB ASN A 55 -9.784 0.086 3.399 1.00 0.00 C ATOM 925 CG ASN A 55 -10.607 1.121 2.628 1.00 0.00 C ATOM 926 OD1 ASN A 55 -11.820 1.243 2.822 1.00 0.00 O ATOM 927 ND2 ASN A 55 -9.958 1.906 1.792 1.00 0.00 N ATOM 0 H ASN A 55 -8.233 -1.759 4.173 1.00 0.00 H new ATOM 0 HA ASN A 55 -10.733 -1.701 2.605 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -10.199 -0.009 4.403 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -8.767 0.463 3.509 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -10.458 2.637 1.286 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -8.955 1.783 1.651 1.00 0.00 H new ATOM 934 N LEU A 56 -7.917 -1.932 1.263 1.00 0.00 N ATOM 935 CA LEU A 56 -7.161 -1.919 0.034 1.00 0.00 C ATOM 936 C LEU A 56 -7.565 -3.068 -0.869 1.00 0.00 C ATOM 937 O LEU A 56 -7.838 -4.180 -0.387 1.00 0.00 O ATOM 938 CB LEU A 56 -5.631 -1.928 0.284 1.00 0.00 C ATOM 939 CG LEU A 56 -4.967 -0.585 0.670 1.00 0.00 C ATOM 940 CD1 LEU A 56 -5.117 0.433 -0.442 1.00 0.00 C ATOM 941 CD2 LEU A 56 -5.529 -0.032 1.955 1.00 0.00 C ATOM 0 H LEU A 56 -7.509 -2.498 2.007 1.00 0.00 H new ATOM 0 HA LEU A 56 -7.399 -0.983 -0.472 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -5.423 -2.647 1.076 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -5.144 -2.298 -0.618 1.00 0.00 H new ATOM 0 HG LEU A 56 -3.907 -0.786 0.824 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -4.642 1.368 -0.146 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -4.642 0.055 -1.347 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -6.175 0.609 -0.634 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -5.037 0.911 2.191 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -6.600 0.136 1.841 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -5.357 -0.743 2.763 1.00 0.00 H new ATOM 953 N PRO A 57 -7.652 -2.819 -2.188 1.00 0.00 N ATOM 954 CA PRO A 57 -7.966 -3.850 -3.164 1.00 0.00 C ATOM 955 C PRO A 57 -6.855 -4.898 -3.234 1.00 0.00 C ATOM 956 O PRO A 57 -5.700 -4.649 -2.785 1.00 0.00 O ATOM 957 CB PRO A 57 -8.053 -3.088 -4.492 1.00 0.00 C ATOM 958 CG PRO A 57 -8.197 -1.665 -4.123 1.00 0.00 C ATOM 959 CD PRO A 57 -7.476 -1.507 -2.830 1.00 0.00 C ATOM 0 HA PRO A 57 -8.881 -4.388 -2.916 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -7.160 -3.248 -5.095 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -8.903 -3.428 -5.084 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -7.772 -1.017 -4.890 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -9.247 -1.392 -4.021 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -6.423 -1.270 -2.982 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -7.900 -0.703 -2.228 1.00 0.00 H new ATOM 967 N ILE A 58 -7.169 -6.040 -3.811 1.00 0.00 N ATOM 968 CA ILE A 58 -6.228 -7.134 -3.889 1.00 0.00 C ATOM 969 C ILE A 58 -4.990 -6.810 -4.706 1.00 0.00 C ATOM 970 O ILE A 58 -3.916 -7.299 -4.390 1.00 0.00 O ATOM 971 CB ILE A 58 -6.880 -8.503 -4.268 1.00 0.00 C ATOM 972 CG1 ILE A 58 -7.740 -8.457 -5.564 1.00 0.00 C ATOM 973 CG2 ILE A 58 -7.700 -9.022 -3.101 1.00 0.00 C ATOM 974 CD1 ILE A 58 -6.963 -8.412 -6.868 1.00 0.00 C ATOM 0 H ILE A 58 -8.076 -6.233 -4.235 1.00 0.00 H new ATOM 0 HA ILE A 58 -5.872 -7.267 -2.867 1.00 0.00 H new ATOM 0 HB ILE A 58 -6.060 -9.187 -4.485 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -8.389 -9.333 -5.579 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -8.387 -7.581 -5.518 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -8.152 -9.976 -3.370 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -7.053 -9.159 -2.234 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -8.484 -8.304 -2.859 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -7.660 -8.382 -7.706 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -6.335 -7.521 -6.887 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -6.336 -9.300 -6.949 1.00 0.00 H new ATOM 986 N GLU A 59 -5.147 -5.940 -5.720 1.00 0.00 N ATOM 987 CA GLU A 59 -4.081 -5.463 -6.540 1.00 0.00 C ATOM 988 C GLU A 59 -2.951 -4.929 -5.662 1.00 0.00 C ATOM 989 O GLU A 59 -1.788 -5.324 -5.789 1.00 0.00 O ATOM 990 CB GLU A 59 -4.611 -4.290 -7.339 1.00 0.00 C ATOM 991 CG GLU A 59 -3.706 -3.890 -8.434 1.00 0.00 C ATOM 992 CD GLU A 59 -3.744 -2.410 -8.749 1.00 0.00 C ATOM 993 OE1 GLU A 59 -4.815 -1.874 -9.107 1.00 0.00 O ATOM 994 OE2 GLU A 59 -2.685 -1.749 -8.624 1.00 0.00 O ATOM 0 H GLU A 59 -6.055 -5.554 -5.978 1.00 0.00 H new ATOM 0 HA GLU A 59 -3.716 -6.270 -7.176 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -5.585 -4.549 -7.755 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -4.765 -3.442 -6.672 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -2.686 -4.170 -8.170 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -3.968 -4.450 -9.332 1.00 0.00 H new ATOM 1001 N VAL A 60 -3.339 -4.068 -4.740 1.00 0.00 N ATOM 1002 CA VAL A 60 -2.422 -3.353 -3.889 1.00 0.00 C ATOM 1003 C VAL A 60 -1.765 -4.281 -2.919 1.00 0.00 C ATOM 1004 O VAL A 60 -0.541 -4.345 -2.864 1.00 0.00 O ATOM 1005 CB VAL A 60 -3.132 -2.228 -3.122 1.00 0.00 C ATOM 1006 CG1 VAL A 60 -2.133 -1.346 -2.375 1.00 0.00 C ATOM 1007 CG2 VAL A 60 -3.974 -1.414 -4.070 1.00 0.00 C ATOM 0 H VAL A 60 -4.319 -3.846 -4.563 1.00 0.00 H new ATOM 0 HA VAL A 60 -1.662 -2.910 -4.532 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.784 -2.678 -2.374 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -2.669 -0.560 -1.843 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -1.575 -1.952 -1.661 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -1.442 -0.896 -3.087 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -4.475 -0.618 -3.520 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -3.337 -0.978 -4.840 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -4.720 -2.057 -4.538 1.00 0.00 H new ATOM 1017 N LYS A 61 -2.576 -5.032 -2.195 1.00 0.00 N ATOM 1018 CA LYS A 61 -2.070 -5.944 -1.189 1.00 0.00 C ATOM 1019 C LYS A 61 -1.145 -6.981 -1.782 1.00 0.00 C ATOM 1020 O LYS A 61 -0.136 -7.323 -1.178 1.00 0.00 O ATOM 1021 CB LYS A 61 -3.195 -6.583 -0.384 1.00 0.00 C ATOM 1022 CG LYS A 61 -3.932 -5.580 0.487 1.00 0.00 C ATOM 1023 CD LYS A 61 -5.004 -6.229 1.344 1.00 0.00 C ATOM 1024 CE LYS A 61 -6.162 -6.755 0.524 1.00 0.00 C ATOM 1025 NZ LYS A 61 -7.233 -7.271 1.387 1.00 0.00 N ATOM 0 H LYS A 61 -3.592 -5.027 -2.287 1.00 0.00 H new ATOM 0 HA LYS A 61 -1.478 -5.350 -0.493 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -3.902 -7.055 -1.066 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -2.784 -7.372 0.245 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -3.217 -5.069 1.131 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -4.389 -4.820 -0.147 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -4.564 -7.048 1.912 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -5.375 -5.503 2.067 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -6.554 -5.959 -0.110 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -5.812 -7.547 -0.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -8.013 -7.625 0.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -6.863 -8.046 1.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -7.582 -6.508 2.002 1.00 0.00 H new ATOM 1039 N ASP A 62 -1.456 -7.436 -2.976 1.00 0.00 N ATOM 1040 CA ASP A 62 -0.612 -8.397 -3.662 1.00 0.00 C ATOM 1041 C ASP A 62 0.745 -7.768 -4.010 1.00 0.00 C ATOM 1042 O ASP A 62 1.790 -8.381 -3.784 1.00 0.00 O ATOM 1043 CB ASP A 62 -1.308 -8.940 -4.905 1.00 0.00 C ATOM 1044 CG ASP A 62 -0.503 -9.990 -5.617 1.00 0.00 C ATOM 1045 OD1 ASP A 62 -0.452 -11.140 -5.149 1.00 0.00 O ATOM 1046 OD2 ASP A 62 0.053 -9.694 -6.687 1.00 0.00 O ATOM 0 H ASP A 62 -2.288 -7.157 -3.495 1.00 0.00 H new ATOM 0 HA ASP A 62 -0.431 -9.238 -2.993 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -2.272 -9.360 -4.620 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -1.509 -8.117 -5.591 1.00 0.00 H new ATOM 1051 N LYS A 63 0.726 -6.516 -4.500 1.00 0.00 N ATOM 1052 CA LYS A 63 1.970 -5.785 -4.808 1.00 0.00 C ATOM 1053 C LYS A 63 2.795 -5.582 -3.532 1.00 0.00 C ATOM 1054 O LYS A 63 4.025 -5.795 -3.528 1.00 0.00 O ATOM 1055 CB LYS A 63 1.686 -4.420 -5.471 1.00 0.00 C ATOM 1056 CG LYS A 63 1.019 -4.511 -6.839 1.00 0.00 C ATOM 1057 CD LYS A 63 0.752 -3.131 -7.466 1.00 0.00 C ATOM 1058 CE LYS A 63 -0.175 -2.274 -6.600 1.00 0.00 C ATOM 1059 NZ LYS A 63 -0.564 -1.005 -7.267 1.00 0.00 N ATOM 0 H LYS A 63 -0.128 -5.992 -4.690 1.00 0.00 H new ATOM 0 HA LYS A 63 2.537 -6.389 -5.517 1.00 0.00 H new ATOM 0 HB2 LYS A 63 1.050 -3.833 -4.808 1.00 0.00 H new ATOM 0 HB3 LYS A 63 2.626 -3.877 -5.574 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.652 -5.093 -7.509 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.076 -5.050 -6.743 1.00 0.00 H new ATOM 0 HD2 LYS A 63 1.698 -2.609 -7.609 1.00 0.00 H new ATOM 0 HD3 LYS A 63 0.307 -3.262 -8.453 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -1.072 -2.844 -6.360 1.00 0.00 H new ATOM 0 HE3 LYS A 63 0.321 -2.047 -5.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -1.191 -0.461 -6.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 0.288 -0.446 -7.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -1.062 -1.218 -8.155 1.00 0.00 H new ATOM 1073 N LEU A 64 2.104 -5.213 -2.450 1.00 0.00 N ATOM 1074 CA LEU A 64 2.723 -5.015 -1.139 1.00 0.00 C ATOM 1075 C LEU A 64 3.373 -6.315 -0.683 1.00 0.00 C ATOM 1076 O LEU A 64 4.510 -6.333 -0.165 1.00 0.00 O ATOM 1077 CB LEU A 64 1.671 -4.587 -0.097 1.00 0.00 C ATOM 1078 CG LEU A 64 0.882 -3.298 -0.374 1.00 0.00 C ATOM 1079 CD1 LEU A 64 -0.087 -3.014 0.764 1.00 0.00 C ATOM 1080 CD2 LEU A 64 1.809 -2.115 -0.586 1.00 0.00 C ATOM 0 H LEU A 64 1.098 -5.043 -2.460 1.00 0.00 H new ATOM 0 HA LEU A 64 3.473 -4.229 -1.227 1.00 0.00 H new ATOM 0 HB2 LEU A 64 0.956 -5.402 0.013 1.00 0.00 H new ATOM 0 HB3 LEU A 64 2.175 -4.473 0.863 1.00 0.00 H new ATOM 0 HG LEU A 64 0.314 -3.446 -1.293 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -0.638 -2.098 0.552 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -0.787 -3.844 0.862 1.00 0.00 H new ATOM 0 HD13 LEU A 64 0.469 -2.897 1.694 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.218 -1.220 -0.780 1.00 0.00 H new ATOM 0 HD22 LEU A 64 2.416 -1.963 0.307 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.460 -2.311 -1.438 1.00 0.00 H new ATOM 1092 N THR A 65 2.667 -7.398 -0.909 1.00 0.00 N ATOM 1093 CA THR A 65 3.135 -8.703 -0.568 1.00 0.00 C ATOM 1094 C THR A 65 4.412 -9.046 -1.334 1.00 0.00 C ATOM 1095 O THR A 65 5.409 -9.407 -0.735 1.00 0.00 O ATOM 1096 CB THR A 65 2.049 -9.774 -0.817 1.00 0.00 C ATOM 1097 OG1 THR A 65 0.868 -9.457 -0.058 1.00 0.00 O ATOM 1098 CG2 THR A 65 2.544 -11.134 -0.392 1.00 0.00 C ATOM 0 H THR A 65 1.743 -7.388 -1.340 1.00 0.00 H new ATOM 0 HA THR A 65 3.365 -8.699 0.497 1.00 0.00 H new ATOM 0 HB THR A 65 1.818 -9.787 -1.882 1.00 0.00 H new ATOM 0 HG1 THR A 65 0.281 -8.882 -0.592 1.00 0.00 H new ATOM 0 HG21 THR A 65 1.767 -11.877 -0.574 1.00 0.00 H new ATOM 0 HG22 THR A 65 3.435 -11.392 -0.965 1.00 0.00 H new ATOM 0 HG23 THR A 65 2.788 -11.117 0.670 1.00 0.00 H new ATOM 1106 N ARG A 66 4.394 -8.846 -2.626 1.00 0.00 N ATOM 1107 CA ARG A 66 5.519 -9.215 -3.480 1.00 0.00 C ATOM 1108 C ARG A 66 6.767 -8.371 -3.219 1.00 0.00 C ATOM 1109 O ARG A 66 7.875 -8.763 -3.600 1.00 0.00 O ATOM 1110 CB ARG A 66 5.123 -9.139 -4.951 1.00 0.00 C ATOM 1111 CG ARG A 66 3.958 -10.034 -5.319 1.00 0.00 C ATOM 1112 CD ARG A 66 3.596 -9.921 -6.788 1.00 0.00 C ATOM 1113 NE ARG A 66 2.445 -10.762 -7.115 1.00 0.00 N ATOM 1114 CZ ARG A 66 2.502 -11.956 -7.707 1.00 0.00 C ATOM 1115 NH1 ARG A 66 3.677 -12.494 -8.027 1.00 0.00 N ATOM 1116 NH2 ARG A 66 1.379 -12.615 -7.966 1.00 0.00 N ATOM 0 H ARG A 66 3.609 -8.426 -3.124 1.00 0.00 H new ATOM 0 HA ARG A 66 5.777 -10.244 -3.229 1.00 0.00 H new ATOM 0 HB2 ARG A 66 4.868 -8.108 -5.196 1.00 0.00 H new ATOM 0 HB3 ARG A 66 5.983 -9.409 -5.563 1.00 0.00 H new ATOM 0 HG2 ARG A 66 4.208 -11.069 -5.086 1.00 0.00 H new ATOM 0 HG3 ARG A 66 3.092 -9.771 -4.711 1.00 0.00 H new ATOM 0 HD2 ARG A 66 3.372 -8.882 -7.031 1.00 0.00 H new ATOM 0 HD3 ARG A 66 4.449 -10.214 -7.399 1.00 0.00 H new ATOM 0 HE ARG A 66 1.521 -10.406 -6.870 1.00 0.00 H new ATOM 0 HH11 ARG A 66 4.541 -11.993 -7.820 1.00 0.00 H new ATOM 0 HH12 ARG A 66 3.713 -13.407 -8.480 1.00 0.00 H new ATOM 0 HH21 ARG A 66 0.479 -12.208 -7.713 1.00 0.00 H new ATOM 0 HH22 ARG A 66 1.416 -13.528 -8.419 1.00 0.00 H new ATOM 1130 N PHE A 67 6.601 -7.211 -2.622 1.00 0.00 N ATOM 1131 CA PHE A 67 7.746 -6.376 -2.337 1.00 0.00 C ATOM 1132 C PHE A 67 8.313 -6.658 -0.945 1.00 0.00 C ATOM 1133 O PHE A 67 9.474 -7.066 -0.804 1.00 0.00 O ATOM 1134 CB PHE A 67 7.378 -4.888 -2.471 1.00 0.00 C ATOM 1135 CG PHE A 67 8.547 -3.922 -2.390 1.00 0.00 C ATOM 1136 CD1 PHE A 67 8.989 -3.422 -1.172 1.00 0.00 C ATOM 1137 CD2 PHE A 67 9.186 -3.502 -3.539 1.00 0.00 C ATOM 1138 CE1 PHE A 67 10.039 -2.532 -1.108 1.00 0.00 C ATOM 1139 CE2 PHE A 67 10.239 -2.610 -3.479 1.00 0.00 C ATOM 1140 CZ PHE A 67 10.665 -2.126 -2.264 1.00 0.00 C ATOM 0 H PHE A 67 5.701 -6.830 -2.329 1.00 0.00 H new ATOM 0 HA PHE A 67 8.518 -6.616 -3.068 1.00 0.00 H new ATOM 0 HB2 PHE A 67 6.871 -4.740 -3.425 1.00 0.00 H new ATOM 0 HB3 PHE A 67 6.664 -4.635 -1.688 1.00 0.00 H new ATOM 0 HD1 PHE A 67 8.502 -3.736 -0.261 1.00 0.00 H new ATOM 0 HD2 PHE A 67 8.858 -3.876 -4.498 1.00 0.00 H new ATOM 0 HE1 PHE A 67 10.370 -2.154 -0.152 1.00 0.00 H new ATOM 0 HE2 PHE A 67 10.729 -2.292 -4.388 1.00 0.00 H new ATOM 0 HZ PHE A 67 11.489 -1.429 -2.218 1.00 0.00 H new ATOM 1150 N PHE A 68 7.496 -6.465 0.073 1.00 0.00 N ATOM 1151 CA PHE A 68 7.996 -6.529 1.438 1.00 0.00 C ATOM 1152 C PHE A 68 7.333 -7.577 2.335 1.00 0.00 C ATOM 1153 O PHE A 68 8.014 -8.215 3.140 1.00 0.00 O ATOM 1154 CB PHE A 68 7.917 -5.142 2.108 1.00 0.00 C ATOM 1155 CG PHE A 68 6.528 -4.559 2.167 1.00 0.00 C ATOM 1156 CD1 PHE A 68 5.704 -4.819 3.246 1.00 0.00 C ATOM 1157 CD2 PHE A 68 6.047 -3.760 1.145 1.00 0.00 C ATOM 1158 CE1 PHE A 68 4.439 -4.305 3.301 1.00 0.00 C ATOM 1159 CE2 PHE A 68 4.782 -3.240 1.201 1.00 0.00 C ATOM 1160 CZ PHE A 68 3.975 -3.512 2.279 1.00 0.00 C ATOM 0 H PHE A 68 6.499 -6.266 -0.013 1.00 0.00 H new ATOM 0 HA PHE A 68 9.032 -6.852 1.335 1.00 0.00 H new ATOM 0 HB2 PHE A 68 8.309 -5.219 3.122 1.00 0.00 H new ATOM 0 HB3 PHE A 68 8.565 -4.453 1.567 1.00 0.00 H new ATOM 0 HD1 PHE A 68 6.064 -5.436 4.056 1.00 0.00 H new ATOM 0 HD2 PHE A 68 6.676 -3.544 0.294 1.00 0.00 H new ATOM 0 HE1 PHE A 68 3.804 -4.522 4.147 1.00 0.00 H new ATOM 0 HE2 PHE A 68 4.418 -2.616 0.398 1.00 0.00 H new ATOM 0 HZ PHE A 68 2.976 -3.103 2.323 1.00 0.00 H new ATOM 1170 N LEU A 69 6.023 -7.745 2.218 1.00 0.00 N ATOM 1171 CA LEU A 69 5.294 -8.524 3.212 1.00 0.00 C ATOM 1172 C LEU A 69 5.497 -10.010 3.031 1.00 0.00 C ATOM 1173 O LEU A 69 5.836 -10.698 3.988 1.00 0.00 O ATOM 1174 CB LEU A 69 3.803 -8.143 3.228 1.00 0.00 C ATOM 1175 CG LEU A 69 2.948 -8.731 4.356 1.00 0.00 C ATOM 1176 CD1 LEU A 69 3.449 -8.257 5.716 1.00 0.00 C ATOM 1177 CD2 LEU A 69 1.491 -8.340 4.164 1.00 0.00 C ATOM 0 H LEU A 69 5.453 -7.363 1.464 1.00 0.00 H new ATOM 0 HA LEU A 69 5.707 -8.275 4.189 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.731 -7.057 3.279 1.00 0.00 H new ATOM 0 HB3 LEU A 69 3.365 -8.447 2.277 1.00 0.00 H new ATOM 0 HG LEU A 69 3.030 -9.817 4.322 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.828 -8.686 6.502 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.482 -8.576 5.855 1.00 0.00 H new ATOM 0 HD13 LEU A 69 3.396 -7.169 5.765 1.00 0.00 H new ATOM 0 HD21 LEU A 69 0.892 -8.763 4.970 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.401 -7.254 4.176 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.134 -8.723 3.208 1.00 0.00 H new ATOM 1189 N LEU A 70 5.318 -10.470 1.789 1.00 0.00 N ATOM 1190 CA LEU A 70 5.468 -11.872 1.370 1.00 0.00 C ATOM 1191 C LEU A 70 5.133 -12.915 2.422 1.00 0.00 C ATOM 1192 O LEU A 70 5.954 -13.760 2.808 1.00 0.00 O ATOM 1193 CB LEU A 70 6.769 -12.106 0.587 1.00 0.00 C ATOM 1194 CG LEU A 70 8.022 -11.380 1.087 1.00 0.00 C ATOM 1195 CD1 LEU A 70 8.641 -12.046 2.305 1.00 0.00 C ATOM 1196 CD2 LEU A 70 9.015 -11.220 -0.036 1.00 0.00 C ATOM 0 H LEU A 70 5.055 -9.856 1.018 1.00 0.00 H new ATOM 0 HA LEU A 70 4.665 -12.047 0.654 1.00 0.00 H new ATOM 0 HB2 LEU A 70 6.976 -13.176 0.585 1.00 0.00 H new ATOM 0 HB3 LEU A 70 6.598 -11.813 -0.449 1.00 0.00 H new ATOM 0 HG LEU A 70 7.717 -10.388 1.419 1.00 0.00 H new ATOM 0 HD11 LEU A 70 9.525 -11.488 2.615 1.00 0.00 H new ATOM 0 HD12 LEU A 70 7.917 -12.060 3.120 1.00 0.00 H new ATOM 0 HD13 LEU A 70 8.926 -13.068 2.055 1.00 0.00 H new ATOM 0 HD21 LEU A 70 9.901 -10.703 0.333 1.00 0.00 H new ATOM 0 HD22 LEU A 70 9.299 -12.202 -0.413 1.00 0.00 H new ATOM 0 HD23 LEU A 70 8.564 -10.639 -0.840 1.00 0.00 H new ATOM 1208 N GLU A 71 3.920 -12.838 2.883 1.00 0.00 N ATOM 1209 CA GLU A 71 3.467 -13.677 3.937 1.00 0.00 C ATOM 1210 C GLU A 71 2.972 -15.023 3.504 1.00 0.00 C ATOM 1211 O GLU A 71 2.570 -15.242 2.348 1.00 0.00 O ATOM 1212 CB GLU A 71 2.457 -12.985 4.837 1.00 0.00 C ATOM 1213 CG GLU A 71 3.091 -12.456 6.099 1.00 0.00 C ATOM 1214 CD GLU A 71 3.860 -13.557 6.799 1.00 0.00 C ATOM 1215 OE1 GLU A 71 3.330 -14.696 6.893 1.00 0.00 O ATOM 1216 OE2 GLU A 71 5.019 -13.337 7.174 1.00 0.00 O ATOM 0 H GLU A 71 3.218 -12.186 2.532 1.00 0.00 H new ATOM 0 HA GLU A 71 4.367 -13.873 4.520 1.00 0.00 H new ATOM 0 HB2 GLU A 71 1.991 -12.163 4.294 1.00 0.00 H new ATOM 0 HB3 GLU A 71 1.663 -13.686 5.097 1.00 0.00 H new ATOM 0 HG2 GLU A 71 3.761 -11.630 5.860 1.00 0.00 H new ATOM 0 HG3 GLU A 71 2.322 -12.061 6.763 1.00 0.00 H new ATOM 1223 N HIS A 72 2.925 -15.901 4.482 1.00 0.00 N ATOM 1224 CA HIS A 72 2.531 -17.284 4.305 1.00 0.00 C ATOM 1225 C HIS A 72 1.049 -17.349 4.031 1.00 0.00 C ATOM 1226 O HIS A 72 0.568 -18.267 3.402 1.00 0.00 O ATOM 1227 CB HIS A 72 2.902 -18.131 5.546 1.00 0.00 C ATOM 1228 CG HIS A 72 4.388 -18.199 5.849 1.00 0.00 C ATOM 1229 ND1 HIS A 72 5.079 -19.382 5.989 1.00 0.00 N ATOM 1230 CD2 HIS A 72 5.304 -17.214 6.060 1.00 0.00 C ATOM 1231 CE1 HIS A 72 6.341 -19.124 6.266 1.00 0.00 C ATOM 1232 NE2 HIS A 72 6.504 -17.818 6.316 1.00 0.00 N ATOM 0 H HIS A 72 3.165 -15.669 5.446 1.00 0.00 H new ATOM 0 HA HIS A 72 3.070 -17.701 3.455 1.00 0.00 H new ATOM 0 HB2 HIS A 72 2.387 -17.722 6.415 1.00 0.00 H new ATOM 0 HB3 HIS A 72 2.528 -19.145 5.402 1.00 0.00 H new ATOM 0 HD2 HIS A 72 5.117 -16.151 6.031 1.00 0.00 H new ATOM 0 HE1 HIS A 72 7.114 -19.861 6.426 1.00 0.00 H new ATOM 0 HE2 HIS A 72 7.381 -17.336 6.513 1.00 0.00 H new ATOM 1241 N HIS A 73 0.342 -16.310 4.464 1.00 0.00 N ATOM 1242 CA HIS A 73 -1.090 -16.181 4.230 1.00 0.00 C ATOM 1243 C HIS A 73 -1.344 -15.944 2.736 1.00 0.00 C ATOM 1244 O HIS A 73 -2.403 -16.251 2.224 1.00 0.00 O ATOM 1245 CB HIS A 73 -1.668 -15.019 5.071 1.00 0.00 C ATOM 1246 CG HIS A 73 -3.177 -14.890 5.025 1.00 0.00 C ATOM 1247 ND1 HIS A 73 -3.842 -13.957 4.252 1.00 0.00 N ATOM 1248 CD2 HIS A 73 -4.140 -15.570 5.688 1.00 0.00 C ATOM 1249 CE1 HIS A 73 -5.136 -14.076 4.443 1.00 0.00 C ATOM 1250 NE2 HIS A 73 -5.343 -15.043 5.307 1.00 0.00 N ATOM 0 H HIS A 73 0.747 -15.534 4.987 1.00 0.00 H new ATOM 0 HA HIS A 73 -1.589 -17.101 4.533 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -1.360 -15.152 6.108 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -1.227 -14.084 4.725 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -3.987 -16.378 6.388 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -5.901 -13.479 3.969 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -6.256 -15.352 5.641 1.00 0.00 H new ATOM 1259 N HIS A 74 -0.352 -15.416 2.047 1.00 0.00 N ATOM 1260 CA HIS A 74 -0.470 -15.159 0.622 1.00 0.00 C ATOM 1261 C HIS A 74 -0.045 -16.387 -0.163 1.00 0.00 C ATOM 1262 O HIS A 74 -0.801 -16.897 -0.977 1.00 0.00 O ATOM 1263 CB HIS A 74 0.370 -13.946 0.213 1.00 0.00 C ATOM 1264 CG HIS A 74 0.354 -13.637 -1.269 1.00 0.00 C ATOM 1265 ND1 HIS A 74 1.406 -13.933 -2.102 1.00 0.00 N ATOM 1266 CD2 HIS A 74 -0.566 -13.022 -2.044 1.00 0.00 C ATOM 1267 CE1 HIS A 74 1.137 -13.513 -3.314 1.00 0.00 C ATOM 1268 NE2 HIS A 74 -0.046 -12.959 -3.309 1.00 0.00 N ATOM 0 H HIS A 74 0.548 -15.155 2.450 1.00 0.00 H new ATOM 0 HA HIS A 74 -1.513 -14.937 0.397 1.00 0.00 H new ATOM 0 HB2 HIS A 74 0.011 -13.072 0.757 1.00 0.00 H new ATOM 0 HB3 HIS A 74 1.401 -14.113 0.524 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -1.529 -12.651 -1.726 1.00 0.00 H new ATOM 0 HE1 HIS A 74 1.785 -13.609 -4.173 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -0.509 -12.545 -4.119 1.00 0.00 H new ATOM 1277 N HIS A 75 1.143 -16.905 0.131 1.00 0.00 N ATOM 1278 CA HIS A 75 1.672 -18.065 -0.607 1.00 0.00 C ATOM 1279 C HIS A 75 1.039 -19.382 -0.096 1.00 0.00 C ATOM 1280 O HIS A 75 1.475 -20.481 -0.429 1.00 0.00 O ATOM 1281 CB HIS A 75 3.221 -18.105 -0.546 1.00 0.00 C ATOM 1282 CG HIS A 75 3.858 -19.124 -1.469 1.00 0.00 C ATOM 1283 ND1 HIS A 75 4.449 -20.280 -1.026 1.00 0.00 N ATOM 1284 CD2 HIS A 75 3.988 -19.142 -2.817 1.00 0.00 C ATOM 1285 CE1 HIS A 75 4.915 -20.956 -2.053 1.00 0.00 C ATOM 1286 NE2 HIS A 75 4.644 -20.289 -3.154 1.00 0.00 N ATOM 0 H HIS A 75 1.757 -16.551 0.864 1.00 0.00 H new ATOM 0 HA HIS A 75 1.394 -17.958 -1.655 1.00 0.00 H new ATOM 0 HB2 HIS A 75 3.608 -17.117 -0.794 1.00 0.00 H new ATOM 0 HB3 HIS A 75 3.527 -18.319 0.478 1.00 0.00 H new ATOM 0 HD2 HIS A 75 3.636 -18.385 -3.502 1.00 0.00 H new ATOM 0 HE1 HIS A 75 5.434 -21.902 -2.001 1.00 0.00 H new ATOM 0 HE2 HIS A 75 4.884 -20.581 -4.101 1.00 0.00 H new ATOM 1295 N HIS A 76 -0.024 -19.245 0.674 1.00 0.00 N ATOM 1296 CA HIS A 76 -0.803 -20.375 1.165 1.00 0.00 C ATOM 1297 C HIS A 76 -1.525 -21.036 -0.011 1.00 0.00 C ATOM 1298 O HIS A 76 -1.919 -22.193 0.054 1.00 0.00 O ATOM 1299 CB HIS A 76 -1.822 -19.894 2.217 1.00 0.00 C ATOM 1300 CG HIS A 76 -2.596 -20.989 2.890 1.00 0.00 C ATOM 1301 ND1 HIS A 76 -3.965 -21.088 2.834 1.00 0.00 N ATOM 1302 CD2 HIS A 76 -2.182 -22.010 3.672 1.00 0.00 C ATOM 1303 CE1 HIS A 76 -4.359 -22.114 3.552 1.00 0.00 C ATOM 1304 NE2 HIS A 76 -3.299 -22.690 4.069 1.00 0.00 N ATOM 0 H HIS A 76 -0.378 -18.339 0.981 1.00 0.00 H new ATOM 0 HA HIS A 76 -0.139 -21.102 1.634 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -1.293 -19.321 2.979 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -2.525 -19.214 1.737 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -1.161 -22.245 3.934 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -5.382 -22.430 3.693 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -3.308 -23.513 4.671 1.00 0.00 H new ATOM 1313 N HIS A 77 -1.682 -20.281 -1.074 1.00 0.00 N ATOM 1314 CA HIS A 77 -2.285 -20.754 -2.291 1.00 0.00 C ATOM 1315 C HIS A 77 -1.557 -20.119 -3.468 1.00 0.00 C ATOM 1316 O HIS A 77 -1.862 -18.982 -3.834 1.00 0.00 O ATOM 1317 CB HIS A 77 -3.834 -20.524 -2.332 1.00 0.00 C ATOM 1318 CG HIS A 77 -4.313 -19.091 -2.250 1.00 0.00 C ATOM 1319 ND1 HIS A 77 -5.163 -18.533 -3.177 1.00 0.00 N ATOM 1320 CD2 HIS A 77 -4.084 -18.122 -1.332 1.00 0.00 C ATOM 1321 CE1 HIS A 77 -5.429 -17.292 -2.838 1.00 0.00 C ATOM 1322 NE2 HIS A 77 -4.790 -17.018 -1.722 1.00 0.00 N ATOM 1323 OXT HIS A 77 -0.602 -20.732 -3.960 1.00 0.00 O ATOM 0 H HIS A 77 -1.388 -19.305 -1.114 1.00 0.00 H new ATOM 0 HA HIS A 77 -2.174 -21.837 -2.348 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -4.218 -20.958 -3.255 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -4.282 -21.080 -1.508 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -3.460 -18.206 -0.455 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -6.065 -16.611 -3.384 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -4.817 -16.126 -1.227 1.00 0.00 H new TER 1332 HIS A 77