USER MOD reduce.3.24.130724 H: found=0, std=0, add=953, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 952 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 79 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 105 ASN : amide:sc= 0.212 X(o=0.21,f=-0.0021) USER MOD Set 2.1: A 90 SER OG : rot 180:sc= 0.243 USER MOD Set 2.2: A 116 CYS SG : rot 132:sc= -1.71! USER MOD Set 3.1: A 28 GLN :FLIP amide:sc= 0 F(o=-0.84,f=0) USER MOD Set 3.2: A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 TYR OH : rot 180:sc= -0.175 USER MOD Single : A 5 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0392) USER MOD Single : A 6 THR OG1 : rot -80:sc= -0.213 USER MOD Single : A 12 HIS : no HD1:sc= -0.934 K(o=-0.93,f=-3.5) USER MOD Single : A 16 THR OG1 : rot -103:sc= 0.325 USER MOD Single : A 17 THR OG1 : rot 78:sc= 1.13 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 83:sc= 0.061 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 LYS NZ :NH3+ -119:sc= 0 (180deg=-0.0401) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 SER OG : rot -21:sc= 0.3 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot -160:sc= -0.0367 USER MOD Single : A 61 HIS : no HE2:sc= -1.54 K(o=-1.5,f=-3!) USER MOD Single : A 62 TYR OH : rot 0:sc= -1.09 USER MOD Single : A 64 THR OG1 : rot 137:sc= 1.4 USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0169) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 121:sc= 0.248 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 ASN :FLIP amide:sc= 1.13 F(o=-0.04,f=1.1) USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 4 -7.505 -19.206 -12.278 1.00 0.00 N ATOM 2 CA TYR A 4 -8.134 -17.879 -12.335 1.00 0.00 C ATOM 3 C TYR A 4 -7.680 -17.069 -11.125 1.00 0.00 C ATOM 4 O TYR A 4 -7.928 -17.451 -9.981 1.00 0.00 O ATOM 5 CB TYR A 4 -9.663 -17.992 -12.374 1.00 0.00 C ATOM 6 CG TYR A 4 -10.250 -17.057 -13.414 1.00 0.00 C ATOM 7 CD1 TYR A 4 -10.512 -15.757 -13.115 1.00 0.00 C ATOM 8 CD2 TYR A 4 -10.453 -17.511 -14.678 1.00 0.00 C ATOM 9 CE1 TYR A 4 -10.972 -14.920 -14.078 1.00 0.00 C ATOM 10 CE2 TYR A 4 -10.905 -16.672 -15.644 1.00 0.00 C ATOM 11 CZ TYR A 4 -11.164 -15.374 -15.344 1.00 0.00 C ATOM 12 OH TYR A 4 -11.593 -14.521 -16.329 1.00 0.00 O ATOM 0 HA TYR A 4 -7.826 -17.373 -13.250 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -9.950 -19.019 -12.600 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -10.074 -17.755 -11.393 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -10.354 -15.391 -12.111 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -10.254 -18.546 -14.916 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -11.186 -13.889 -13.838 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -11.058 -17.036 -16.649 1.00 0.00 H new ATOM 0 HH TYR A 4 -11.676 -15.012 -17.173 1.00 0.00 H new ATOM 22 N LYS A 5 -7.036 -15.933 -11.370 1.00 0.00 N ATOM 23 CA LYS A 5 -6.761 -15.012 -10.280 1.00 0.00 C ATOM 24 C LYS A 5 -7.920 -14.030 -10.096 1.00 0.00 C ATOM 25 O LYS A 5 -8.476 -13.488 -11.054 1.00 0.00 O ATOM 26 CB LYS A 5 -5.494 -14.240 -10.655 1.00 0.00 C ATOM 27 CG LYS A 5 -4.235 -15.117 -10.670 1.00 0.00 C ATOM 28 CD LYS A 5 -2.985 -14.279 -10.956 1.00 0.00 C ATOM 29 CE LYS A 5 -1.712 -15.130 -11.024 1.00 0.00 C ATOM 30 NZ LYS A 5 -1.386 -15.717 -9.715 1.00 0.00 N ATOM 0 H LYS A 5 -6.704 -15.636 -12.287 1.00 0.00 H new ATOM 0 HA LYS A 5 -6.634 -15.559 -9.346 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -5.628 -13.791 -11.639 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -5.351 -13.423 -9.948 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -4.127 -15.621 -9.710 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -4.338 -15.894 -11.428 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -3.115 -13.749 -11.899 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -2.872 -13.523 -10.179 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -1.843 -15.925 -11.758 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -0.880 -14.515 -11.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -0.476 -16.216 -9.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -1.320 -14.962 -9.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -2.131 -16.388 -9.440 1.00 0.00 H new ATOM 44 N THR A 6 -8.199 -13.734 -8.835 1.00 0.00 N ATOM 45 CA THR A 6 -8.964 -12.524 -8.498 1.00 0.00 C ATOM 46 C THR A 6 -7.915 -11.477 -8.123 1.00 0.00 C ATOM 47 O THR A 6 -6.891 -11.789 -7.511 1.00 0.00 O ATOM 48 CB THR A 6 -10.004 -12.746 -7.374 1.00 0.00 C ATOM 49 OG1 THR A 6 -9.963 -11.684 -6.432 1.00 0.00 O ATOM 50 CG2 THR A 6 -9.857 -14.058 -6.604 1.00 0.00 C ATOM 0 H THR A 6 -7.916 -14.299 -8.034 1.00 0.00 H new ATOM 0 HA THR A 6 -9.572 -12.204 -9.344 1.00 0.00 H new ATOM 0 HB THR A 6 -10.957 -12.785 -7.901 1.00 0.00 H new ATOM 0 HG1 THR A 6 -9.218 -11.826 -5.811 1.00 0.00 H new ATOM 0 HG21 THR A 6 -10.631 -14.120 -5.839 1.00 0.00 H new ATOM 0 HG22 THR A 6 -9.959 -14.897 -7.292 1.00 0.00 H new ATOM 0 HG23 THR A 6 -8.876 -14.094 -6.131 1.00 0.00 H new ATOM 58 N GLY A 7 -8.159 -10.238 -8.526 1.00 0.00 N ATOM 59 CA GLY A 7 -7.198 -9.182 -8.177 1.00 0.00 C ATOM 60 C GLY A 7 -7.768 -7.880 -7.630 1.00 0.00 C ATOM 61 O GLY A 7 -8.907 -7.764 -7.179 1.00 0.00 O ATOM 0 H GLY A 7 -8.970 -9.940 -9.068 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -6.506 -9.585 -7.438 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.614 -8.948 -9.067 1.00 0.00 H new ATOM 65 N LEU A 8 -6.844 -6.931 -7.591 1.00 0.00 N ATOM 66 CA LEU A 8 -7.015 -5.691 -6.842 1.00 0.00 C ATOM 67 C LEU A 8 -6.566 -4.572 -7.766 1.00 0.00 C ATOM 68 O LEU A 8 -5.399 -4.523 -8.150 1.00 0.00 O ATOM 69 CB LEU A 8 -6.088 -5.774 -5.619 1.00 0.00 C ATOM 70 CG LEU A 8 -6.311 -4.656 -4.605 1.00 0.00 C ATOM 71 CD1 LEU A 8 -7.736 -4.673 -4.052 1.00 0.00 C ATOM 72 CD2 LEU A 8 -5.289 -4.808 -3.478 1.00 0.00 C ATOM 0 H LEU A 8 -5.951 -6.998 -8.079 1.00 0.00 H new ATOM 0 HA LEU A 8 -8.040 -5.522 -6.513 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -6.236 -6.735 -5.126 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -5.052 -5.745 -5.957 1.00 0.00 H new ATOM 0 HG LEU A 8 -6.177 -3.694 -5.100 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -7.857 -3.863 -3.333 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -8.445 -4.542 -4.869 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -7.923 -5.627 -3.559 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -5.436 -4.015 -2.744 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -5.420 -5.777 -2.996 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -4.282 -4.740 -3.889 1.00 0.00 H new ATOM 84 N LEU A 9 -7.472 -3.692 -8.163 1.00 0.00 N ATOM 85 CA LEU A 9 -7.085 -2.632 -9.087 1.00 0.00 C ATOM 86 C LEU A 9 -7.354 -1.324 -8.354 1.00 0.00 C ATOM 87 O LEU A 9 -8.443 -1.073 -7.841 1.00 0.00 O ATOM 88 CB LEU A 9 -7.894 -2.945 -10.357 1.00 0.00 C ATOM 89 CG LEU A 9 -7.850 -1.999 -11.565 1.00 0.00 C ATOM 90 CD1 LEU A 9 -9.176 -1.257 -11.672 1.00 0.00 C ATOM 91 CD2 LEU A 9 -6.705 -0.998 -11.530 1.00 0.00 C ATOM 0 H LEU A 9 -8.450 -3.686 -7.873 1.00 0.00 H new ATOM 0 HA LEU A 9 -6.043 -2.555 -9.398 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -7.576 -3.927 -10.707 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -8.938 -3.036 -10.058 1.00 0.00 H new ATOM 0 HG LEU A 9 -7.677 -2.625 -12.440 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -9.148 -0.584 -12.529 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -9.986 -1.975 -11.801 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -9.344 -0.680 -10.763 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -6.745 -0.368 -12.418 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.793 -0.376 -10.639 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.755 -1.532 -11.507 1.00 0.00 H new ATOM 103 N LEU A 10 -6.332 -0.477 -8.350 1.00 0.00 N ATOM 104 CA LEU A 10 -6.447 0.812 -7.662 1.00 0.00 C ATOM 105 C LEU A 10 -6.455 1.928 -8.711 1.00 0.00 C ATOM 106 O LEU A 10 -5.897 1.823 -9.804 1.00 0.00 O ATOM 107 CB LEU A 10 -5.320 1.040 -6.626 1.00 0.00 C ATOM 108 CG LEU A 10 -4.368 -0.101 -6.197 1.00 0.00 C ATOM 109 CD1 LEU A 10 -3.422 0.469 -5.139 1.00 0.00 C ATOM 110 CD2 LEU A 10 -5.035 -1.317 -5.540 1.00 0.00 C ATOM 0 H LEU A 10 -5.434 -0.648 -8.802 1.00 0.00 H new ATOM 0 HA LEU A 10 -7.380 0.816 -7.098 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -4.695 1.845 -7.012 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -5.796 1.413 -5.719 1.00 0.00 H new ATOM 0 HG LEU A 10 -3.897 -0.448 -7.117 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.733 -0.309 -4.810 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -2.857 1.298 -5.565 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -4.001 0.824 -4.287 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -4.274 -2.053 -5.281 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -5.558 -1.002 -4.637 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -5.748 -1.761 -6.235 1.00 0.00 H new ATOM 122 N ILE A 11 -7.166 2.989 -8.359 1.00 0.00 N ATOM 123 CA ILE A 11 -7.484 4.068 -9.305 1.00 0.00 C ATOM 124 C ILE A 11 -7.224 5.437 -8.670 1.00 0.00 C ATOM 125 O ILE A 11 -7.958 5.801 -7.750 1.00 0.00 O ATOM 126 CB ILE A 11 -8.910 4.006 -9.878 1.00 0.00 C ATOM 127 CG1 ILE A 11 -9.387 2.572 -10.179 1.00 0.00 C ATOM 128 CG2 ILE A 11 -8.989 4.869 -11.139 1.00 0.00 C ATOM 129 CD1 ILE A 11 -10.833 2.497 -10.669 1.00 0.00 C ATOM 0 H ILE A 11 -7.539 3.133 -7.421 1.00 0.00 H new ATOM 0 HA ILE A 11 -6.815 3.920 -10.153 1.00 0.00 H new ATOM 0 HB ILE A 11 -9.581 4.393 -9.111 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -8.734 2.132 -10.932 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -9.286 1.968 -9.277 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -9.999 4.826 -11.546 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -8.742 5.901 -10.890 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -8.283 4.496 -11.880 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -11.099 1.457 -10.861 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -11.497 2.907 -9.908 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -10.936 3.073 -11.589 1.00 0.00 H new ATOM 141 N HIS A 12 -6.239 6.213 -9.099 1.00 0.00 N ATOM 142 CA HIS A 12 -6.201 7.598 -8.613 1.00 0.00 C ATOM 143 C HIS A 12 -7.089 8.417 -9.579 1.00 0.00 C ATOM 144 O HIS A 12 -6.921 8.330 -10.797 1.00 0.00 O ATOM 145 CB HIS A 12 -4.760 8.112 -8.692 1.00 0.00 C ATOM 146 CG HIS A 12 -4.594 9.623 -8.538 1.00 0.00 C ATOM 147 ND1 HIS A 12 -5.191 10.410 -7.562 1.00 0.00 N ATOM 148 CD2 HIS A 12 -3.924 10.422 -9.480 1.00 0.00 C ATOM 149 CE1 HIS A 12 -4.801 11.645 -8.021 1.00 0.00 C ATOM 150 NE2 HIS A 12 -4.026 11.753 -9.141 1.00 0.00 N ATOM 0 H HIS A 12 -5.496 5.939 -9.742 1.00 0.00 H new ATOM 0 HA HIS A 12 -6.549 7.678 -7.583 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -4.173 7.618 -7.917 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -4.338 7.813 -9.651 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -3.403 10.045 -10.348 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -5.109 12.536 -7.493 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -3.636 12.579 -9.594 1.00 0.00 H new ATOM 158 N PRO A 13 -8.038 9.216 -9.071 1.00 0.00 N ATOM 159 CA PRO A 13 -9.058 9.857 -9.917 1.00 0.00 C ATOM 160 C PRO A 13 -8.660 10.817 -11.043 1.00 0.00 C ATOM 161 O PRO A 13 -9.517 11.135 -11.869 1.00 0.00 O ATOM 162 CB PRO A 13 -9.830 10.662 -8.879 1.00 0.00 C ATOM 163 CG PRO A 13 -9.841 9.769 -7.647 1.00 0.00 C ATOM 164 CD PRO A 13 -8.444 9.154 -7.653 1.00 0.00 C ATOM 0 HA PRO A 13 -9.547 9.068 -10.488 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -9.346 11.617 -8.675 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -10.842 10.884 -9.219 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -10.026 10.340 -6.737 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -10.617 9.006 -7.709 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -7.758 9.713 -7.016 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -8.457 8.128 -7.285 1.00 0.00 H new ATOM 172 N ALA A 14 -7.457 11.387 -11.029 1.00 0.00 N ATOM 173 CA ALA A 14 -7.216 12.579 -11.872 1.00 0.00 C ATOM 174 C ALA A 14 -7.450 12.321 -13.361 1.00 0.00 C ATOM 175 O ALA A 14 -8.150 13.095 -14.017 1.00 0.00 O ATOM 176 CB ALA A 14 -5.823 13.146 -11.589 1.00 0.00 C ATOM 0 H ALA A 14 -6.661 11.070 -10.475 1.00 0.00 H new ATOM 0 HA ALA A 14 -7.956 13.331 -11.599 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -5.653 14.023 -12.214 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -5.752 13.429 -10.539 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -5.070 12.390 -11.813 1.00 0.00 H new ATOM 182 N VAL A 15 -6.863 11.269 -13.911 1.00 0.00 N ATOM 183 CA VAL A 15 -6.900 11.078 -15.371 1.00 0.00 C ATOM 184 C VAL A 15 -8.099 10.125 -15.636 1.00 0.00 C ATOM 185 O VAL A 15 -8.708 10.144 -16.707 1.00 0.00 O ATOM 186 CB VAL A 15 -5.560 10.568 -15.928 1.00 0.00 C ATOM 187 CG1 VAL A 15 -5.629 10.372 -17.446 1.00 0.00 C ATOM 188 CG2 VAL A 15 -4.440 11.576 -15.632 1.00 0.00 C ATOM 0 H VAL A 15 -6.365 10.546 -13.393 1.00 0.00 H new ATOM 0 HA VAL A 15 -7.044 12.020 -15.901 1.00 0.00 H new ATOM 0 HB VAL A 15 -5.353 9.613 -15.444 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -4.667 10.011 -17.810 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -6.404 9.643 -17.684 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -5.865 11.322 -17.925 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -3.498 11.201 -16.032 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -4.678 12.532 -16.099 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -4.348 11.712 -14.554 1.00 0.00 H new ATOM 198 N THR A 16 -8.426 9.280 -14.648 1.00 0.00 N ATOM 199 CA THR A 16 -9.391 8.191 -14.810 1.00 0.00 C ATOM 200 C THR A 16 -10.858 8.617 -14.576 1.00 0.00 C ATOM 201 O THR A 16 -11.749 7.788 -14.757 1.00 0.00 O ATOM 202 CB THR A 16 -8.995 7.075 -13.835 1.00 0.00 C ATOM 203 OG1 THR A 16 -8.974 7.588 -12.510 1.00 0.00 O ATOM 204 CG2 THR A 16 -7.626 6.471 -14.169 1.00 0.00 C ATOM 0 H THR A 16 -8.025 9.336 -13.712 1.00 0.00 H new ATOM 0 HA THR A 16 -9.354 7.854 -15.846 1.00 0.00 H new ATOM 0 HB THR A 16 -9.737 6.282 -13.925 1.00 0.00 H new ATOM 0 HG1 THR A 16 -8.047 7.746 -12.235 1.00 0.00 H new ATOM 0 HG21 THR A 16 -7.390 5.686 -13.451 1.00 0.00 H new ATOM 0 HG22 THR A 16 -7.650 6.049 -15.174 1.00 0.00 H new ATOM 0 HG23 THR A 16 -6.864 7.248 -14.120 1.00 0.00 H new ATOM 212 N THR A 17 -11.161 9.887 -14.263 1.00 0.00 N ATOM 213 CA THR A 17 -12.575 10.328 -14.298 1.00 0.00 C ATOM 214 C THR A 17 -13.072 10.555 -15.755 1.00 0.00 C ATOM 215 O THR A 17 -14.260 10.778 -15.994 1.00 0.00 O ATOM 216 CB THR A 17 -12.676 11.611 -13.452 1.00 0.00 C ATOM 217 OG1 THR A 17 -12.294 11.317 -12.114 1.00 0.00 O ATOM 218 CG2 THR A 17 -14.089 12.190 -13.420 1.00 0.00 C ATOM 0 H THR A 17 -10.485 10.602 -13.994 1.00 0.00 H new ATOM 0 HA THR A 17 -13.222 9.554 -13.885 1.00 0.00 H new ATOM 0 HB THR A 17 -12.017 12.348 -13.912 1.00 0.00 H new ATOM 0 HG1 THR A 17 -11.317 11.257 -12.058 1.00 0.00 H new ATOM 0 HG21 THR A 17 -14.099 13.093 -12.809 1.00 0.00 H new ATOM 0 HG22 THR A 17 -14.405 12.435 -14.434 1.00 0.00 H new ATOM 0 HG23 THR A 17 -14.773 11.456 -12.994 1.00 0.00 H new ATOM 226 N THR A 18 -12.184 10.333 -16.721 1.00 0.00 N ATOM 227 CA THR A 18 -12.544 10.113 -18.130 1.00 0.00 C ATOM 228 C THR A 18 -12.267 8.617 -18.410 1.00 0.00 C ATOM 229 O THR A 18 -11.165 8.290 -18.856 1.00 0.00 O ATOM 230 CB THR A 18 -11.783 11.054 -19.071 1.00 0.00 C ATOM 231 OG1 THR A 18 -11.974 12.401 -18.660 1.00 0.00 O ATOM 232 CG2 THR A 18 -12.331 10.894 -20.489 1.00 0.00 C ATOM 0 H THR A 18 -11.179 10.299 -16.551 1.00 0.00 H new ATOM 0 HA THR A 18 -13.593 10.345 -18.316 1.00 0.00 H new ATOM 0 HB THR A 18 -10.721 10.808 -19.045 1.00 0.00 H new ATOM 0 HG1 THR A 18 -11.485 12.999 -19.263 1.00 0.00 H new ATOM 0 HG21 THR A 18 -11.794 11.561 -21.164 1.00 0.00 H new ATOM 0 HG22 THR A 18 -12.198 9.863 -20.816 1.00 0.00 H new ATOM 0 HG23 THR A 18 -13.392 11.144 -20.500 1.00 0.00 H new ATOM 240 N PRO A 19 -13.085 7.698 -17.868 1.00 0.00 N ATOM 241 CA PRO A 19 -12.684 6.313 -17.562 1.00 0.00 C ATOM 242 C PRO A 19 -12.504 5.369 -18.767 1.00 0.00 C ATOM 243 O PRO A 19 -12.860 4.192 -18.713 1.00 0.00 O ATOM 244 CB PRO A 19 -13.855 5.881 -16.669 1.00 0.00 C ATOM 245 CG PRO A 19 -15.070 6.621 -17.224 1.00 0.00 C ATOM 246 CD PRO A 19 -14.512 7.964 -17.689 1.00 0.00 C ATOM 0 HA PRO A 19 -11.689 6.264 -17.120 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -14.001 4.801 -16.704 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -13.675 6.145 -15.627 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -15.527 6.073 -18.048 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -15.839 6.752 -16.462 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -14.979 8.292 -18.618 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -14.685 8.747 -16.951 1.00 0.00 H new ATOM 254 N GLU A 20 -11.855 5.851 -19.819 1.00 0.00 N ATOM 255 CA GLU A 20 -11.300 4.946 -20.842 1.00 0.00 C ATOM 256 C GLU A 20 -10.173 4.061 -20.283 1.00 0.00 C ATOM 257 O GLU A 20 -10.090 2.879 -20.618 1.00 0.00 O ATOM 258 CB GLU A 20 -10.725 5.778 -21.991 1.00 0.00 C ATOM 259 CG GLU A 20 -11.803 6.514 -22.796 1.00 0.00 C ATOM 260 CD GLU A 20 -11.183 7.339 -23.917 1.00 0.00 C ATOM 261 OE1 GLU A 20 -11.013 6.806 -25.034 1.00 0.00 O ATOM 262 OE2 GLU A 20 -10.864 8.526 -23.686 1.00 0.00 O ATOM 0 H GLU A 20 -11.697 6.843 -19.994 1.00 0.00 H new ATOM 0 HA GLU A 20 -12.111 4.301 -21.182 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -10.020 6.505 -21.588 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -10.163 5.125 -22.659 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -12.504 5.792 -23.216 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -12.374 7.165 -22.134 1.00 0.00 H new ATOM 269 N LEU A 21 -9.311 4.620 -19.430 1.00 0.00 N ATOM 270 CA LEU A 21 -8.274 3.816 -18.753 1.00 0.00 C ATOM 271 C LEU A 21 -8.854 2.674 -17.893 1.00 0.00 C ATOM 272 O LEU A 21 -8.225 1.628 -17.733 1.00 0.00 O ATOM 273 CB LEU A 21 -7.445 4.733 -17.839 1.00 0.00 C ATOM 274 CG LEU A 21 -6.595 5.777 -18.579 1.00 0.00 C ATOM 275 CD1 LEU A 21 -6.021 6.777 -17.573 1.00 0.00 C ATOM 276 CD2 LEU A 21 -5.441 5.113 -19.333 1.00 0.00 C ATOM 0 H LEU A 21 -9.304 5.611 -19.190 1.00 0.00 H new ATOM 0 HA LEU A 21 -7.665 3.364 -19.536 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -8.120 5.251 -17.158 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -6.787 4.115 -17.228 1.00 0.00 H new ATOM 0 HG LEU A 21 -7.235 6.288 -19.298 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -5.418 7.517 -18.099 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -6.837 7.278 -17.052 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.398 6.249 -16.850 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.856 5.875 -19.848 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.803 4.581 -18.627 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.841 4.409 -20.062 1.00 0.00 H new ATOM 288 N VAL A 22 -10.050 2.878 -17.342 1.00 0.00 N ATOM 289 CA VAL A 22 -10.738 1.822 -16.569 1.00 0.00 C ATOM 290 C VAL A 22 -11.169 0.667 -17.483 1.00 0.00 C ATOM 291 O VAL A 22 -10.890 -0.493 -17.181 1.00 0.00 O ATOM 292 CB VAL A 22 -11.905 2.457 -15.788 1.00 0.00 C ATOM 293 CG1 VAL A 22 -12.652 1.421 -14.945 1.00 0.00 C ATOM 294 CG2 VAL A 22 -11.420 3.567 -14.845 1.00 0.00 C ATOM 0 H VAL A 22 -10.567 3.755 -17.410 1.00 0.00 H new ATOM 0 HA VAL A 22 -10.058 1.378 -15.842 1.00 0.00 H new ATOM 0 HB VAL A 22 -12.574 2.875 -16.540 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -13.467 1.907 -14.409 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -13.057 0.646 -15.596 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -11.965 0.971 -14.229 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -12.272 3.990 -14.312 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -10.713 3.151 -14.127 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -10.930 4.349 -15.425 1.00 0.00 H new ATOM 304 N GLU A 23 -11.804 0.953 -18.616 1.00 0.00 N ATOM 305 CA GLU A 23 -12.163 -0.125 -19.556 1.00 0.00 C ATOM 306 C GLU A 23 -10.948 -0.876 -20.130 1.00 0.00 C ATOM 307 O GLU A 23 -11.030 -2.073 -20.396 1.00 0.00 O ATOM 308 CB GLU A 23 -12.972 0.465 -20.718 1.00 0.00 C ATOM 309 CG GLU A 23 -14.322 1.038 -20.273 1.00 0.00 C ATOM 310 CD GLU A 23 -15.073 1.650 -21.449 1.00 0.00 C ATOM 311 OE1 GLU A 23 -14.868 2.850 -21.736 1.00 0.00 O ATOM 312 OE2 GLU A 23 -15.870 0.934 -22.093 1.00 0.00 O ATOM 0 H GLU A 23 -12.078 1.891 -18.908 1.00 0.00 H new ATOM 0 HA GLU A 23 -12.746 -0.849 -18.987 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -12.389 1.251 -21.198 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -13.140 -0.309 -21.467 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -14.925 0.249 -19.823 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -14.164 1.795 -19.505 1.00 0.00 H new ATOM 319 N ASN A 24 -9.832 -0.183 -20.322 1.00 0.00 N ATOM 320 CA ASN A 24 -8.617 -0.811 -20.867 1.00 0.00 C ATOM 321 C ASN A 24 -7.916 -1.730 -19.874 1.00 0.00 C ATOM 322 O ASN A 24 -7.552 -2.851 -20.219 1.00 0.00 O ATOM 323 CB ASN A 24 -7.658 0.319 -21.222 1.00 0.00 C ATOM 324 CG ASN A 24 -6.855 0.052 -22.494 1.00 0.00 C ATOM 325 OD1 ASN A 24 -7.319 0.287 -23.609 1.00 0.00 O ATOM 326 ND2 ASN A 24 -5.639 -0.441 -22.344 1.00 0.00 N ATOM 0 H ASN A 24 -9.735 0.810 -20.112 1.00 0.00 H new ATOM 0 HA ASN A 24 -8.903 -1.423 -21.722 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -8.225 1.242 -21.345 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -6.969 0.476 -20.392 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -5.063 -0.635 -23.163 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -5.276 -0.628 -21.409 1.00 0.00 H new ATOM 333 N THR A 25 -7.704 -1.250 -18.646 1.00 0.00 N ATOM 334 CA THR A 25 -7.071 -2.110 -17.626 1.00 0.00 C ATOM 335 C THR A 25 -7.941 -3.354 -17.352 1.00 0.00 C ATOM 336 O THR A 25 -7.441 -4.485 -17.302 1.00 0.00 O ATOM 337 CB THR A 25 -6.684 -1.332 -16.353 1.00 0.00 C ATOM 338 OG1 THR A 25 -5.801 -2.136 -15.583 1.00 0.00 O ATOM 339 CG2 THR A 25 -7.854 -0.921 -15.456 1.00 0.00 C ATOM 0 H THR A 25 -7.948 -0.310 -18.335 1.00 0.00 H new ATOM 0 HA THR A 25 -6.123 -2.469 -18.026 1.00 0.00 H new ATOM 0 HB THR A 25 -6.229 -0.405 -16.702 1.00 0.00 H new ATOM 0 HG1 THR A 25 -5.544 -1.653 -14.770 1.00 0.00 H new ATOM 0 HG21 THR A 25 -7.475 -0.380 -14.589 1.00 0.00 H new ATOM 0 HG22 THR A 25 -8.534 -0.279 -16.016 1.00 0.00 H new ATOM 0 HG23 THR A 25 -8.388 -1.811 -15.123 1.00 0.00 H new ATOM 347 N LYS A 26 -9.260 -3.153 -17.254 1.00 0.00 N ATOM 348 CA LYS A 26 -10.183 -4.279 -17.144 1.00 0.00 C ATOM 349 C LYS A 26 -10.197 -5.145 -18.418 1.00 0.00 C ATOM 350 O LYS A 26 -10.363 -6.359 -18.309 1.00 0.00 O ATOM 351 CB LYS A 26 -11.575 -3.721 -16.840 1.00 0.00 C ATOM 352 CG LYS A 26 -11.601 -2.914 -15.532 1.00 0.00 C ATOM 353 CD LYS A 26 -13.000 -2.364 -15.285 1.00 0.00 C ATOM 354 CE LYS A 26 -13.158 -1.867 -13.846 1.00 0.00 C ATOM 355 NZ LYS A 26 -14.502 -1.305 -13.643 1.00 0.00 N ATOM 0 H LYS A 26 -9.703 -2.234 -17.249 1.00 0.00 H new ATOM 0 HA LYS A 26 -9.855 -4.936 -16.338 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -11.898 -3.085 -17.664 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -12.288 -4.543 -16.773 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -11.298 -3.548 -14.698 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -10.884 -2.095 -15.586 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -13.199 -1.546 -15.978 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -13.739 -3.140 -15.487 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -12.992 -2.689 -13.150 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -12.404 -1.110 -13.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -14.594 -0.972 -12.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -14.647 -0.507 -14.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -15.216 -2.038 -13.829 1.00 0.00 H new ATOM 369 N ALA A 27 -10.005 -4.578 -19.618 1.00 0.00 N ATOM 370 CA ALA A 27 -9.895 -5.425 -20.822 1.00 0.00 C ATOM 371 C ALA A 27 -8.605 -6.261 -20.858 1.00 0.00 C ATOM 372 O ALA A 27 -8.627 -7.427 -21.251 1.00 0.00 O ATOM 373 CB ALA A 27 -10.002 -4.553 -22.074 1.00 0.00 C ATOM 0 H ALA A 27 -9.925 -3.575 -19.783 1.00 0.00 H new ATOM 0 HA ALA A 27 -10.719 -6.137 -20.791 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -9.921 -5.180 -22.962 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -10.964 -4.040 -22.079 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -9.198 -3.817 -22.075 1.00 0.00 H new ATOM 379 N GLN A 28 -7.487 -5.673 -20.433 1.00 0.00 N ATOM 380 CA GLN A 28 -6.211 -6.391 -20.335 1.00 0.00 C ATOM 381 C GLN A 28 -6.315 -7.657 -19.478 1.00 0.00 C ATOM 382 O GLN A 28 -5.989 -8.757 -19.931 1.00 0.00 O ATOM 383 CB GLN A 28 -5.228 -5.396 -19.697 1.00 0.00 C ATOM 384 CG GLN A 28 -3.836 -5.373 -20.325 1.00 0.00 C ATOM 385 CD GLN A 28 -2.835 -6.324 -19.671 1.00 0.00 C ATOM 386 OE1 GLN A 28 -3.148 -7.606 -19.622 1.00 0.00 O flip ATOM 387 NE2 GLN A 28 -1.772 -5.912 -19.208 1.00 0.00 N flip ATOM 0 H GLN A 28 -7.437 -4.695 -20.149 1.00 0.00 H new ATOM 0 HA GLN A 28 -5.888 -6.728 -21.320 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -5.655 -4.395 -19.760 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -5.129 -5.634 -18.638 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -3.923 -5.626 -21.382 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -3.443 -4.358 -20.272 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -1.547 -4.918 -19.255 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -1.116 -6.564 -18.778 1.00 0.00 H new ATOM 396 N ALA A 29 -6.777 -7.501 -18.240 1.00 0.00 N ATOM 397 CA ALA A 29 -6.943 -8.664 -17.356 1.00 0.00 C ATOM 398 C ALA A 29 -8.044 -9.623 -17.843 1.00 0.00 C ATOM 399 O ALA A 29 -7.894 -10.841 -17.761 1.00 0.00 O ATOM 400 CB ALA A 29 -7.227 -8.138 -15.950 1.00 0.00 C ATOM 0 H ALA A 29 -7.039 -6.605 -17.828 1.00 0.00 H new ATOM 0 HA ALA A 29 -6.029 -9.258 -17.359 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -7.356 -8.977 -15.267 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -6.391 -7.523 -15.616 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -8.137 -7.538 -15.963 1.00 0.00 H new ATOM 406 N ALA A 30 -9.160 -9.076 -18.325 1.00 0.00 N ATOM 407 CA ALA A 30 -10.346 -9.907 -18.611 1.00 0.00 C ATOM 408 C ALA A 30 -10.212 -10.824 -19.839 1.00 0.00 C ATOM 409 O ALA A 30 -10.653 -11.973 -19.789 1.00 0.00 O ATOM 410 CB ALA A 30 -11.573 -9.008 -18.778 1.00 0.00 C ATOM 0 H ALA A 30 -9.275 -8.082 -18.525 1.00 0.00 H new ATOM 0 HA ALA A 30 -10.453 -10.573 -17.754 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -12.448 -9.622 -18.989 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -11.738 -8.444 -17.860 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -11.408 -8.316 -19.604 1.00 0.00 H new ATOM 416 N SER A 31 -9.579 -10.365 -20.922 1.00 0.00 N ATOM 417 CA SER A 31 -9.240 -11.271 -22.036 1.00 0.00 C ATOM 418 C SER A 31 -8.353 -12.462 -21.628 1.00 0.00 C ATOM 419 O SER A 31 -8.399 -13.511 -22.272 1.00 0.00 O ATOM 420 CB SER A 31 -8.539 -10.462 -23.134 1.00 0.00 C ATOM 421 OG SER A 31 -9.394 -9.433 -23.613 1.00 0.00 O ATOM 0 H SER A 31 -9.294 -9.395 -21.056 1.00 0.00 H new ATOM 0 HA SER A 31 -10.177 -11.701 -22.391 1.00 0.00 H new ATOM 0 HB2 SER A 31 -7.619 -10.027 -22.743 1.00 0.00 H new ATOM 0 HB3 SER A 31 -8.256 -11.120 -23.955 1.00 0.00 H new ATOM 0 HG SER A 31 -9.336 -8.656 -23.018 1.00 0.00 H new ATOM 427 N LYS A 32 -7.524 -12.306 -20.596 1.00 0.00 N ATOM 428 CA LYS A 32 -6.510 -13.316 -20.289 1.00 0.00 C ATOM 429 C LYS A 32 -7.114 -14.412 -19.408 1.00 0.00 C ATOM 430 O LYS A 32 -7.856 -15.273 -19.881 1.00 0.00 O ATOM 431 CB LYS A 32 -5.282 -12.610 -19.694 1.00 0.00 C ATOM 432 CG LYS A 32 -4.485 -11.843 -20.756 1.00 0.00 C ATOM 433 CD LYS A 32 -3.183 -11.279 -20.182 1.00 0.00 C ATOM 434 CE LYS A 32 -2.358 -10.584 -21.267 1.00 0.00 C ATOM 435 NZ LYS A 32 -1.090 -10.091 -20.706 1.00 0.00 N ATOM 0 H LYS A 32 -7.533 -11.503 -19.967 1.00 0.00 H new ATOM 0 HA LYS A 32 -6.167 -13.832 -21.186 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -5.604 -11.919 -18.915 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -4.635 -13.348 -19.219 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -4.259 -12.506 -21.591 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -5.093 -11.029 -21.151 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -3.410 -10.572 -19.384 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -2.599 -12.085 -19.737 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -2.157 -11.279 -22.082 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -2.925 -9.754 -21.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -0.539 -9.621 -21.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -1.288 -9.412 -19.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -0.545 -10.890 -20.325 1.00 0.00 H new ATOM 449 N LYS A 33 -6.831 -14.344 -18.118 1.00 0.00 N ATOM 450 CA LYS A 33 -7.517 -15.214 -17.140 1.00 0.00 C ATOM 451 C LYS A 33 -7.727 -14.575 -15.756 1.00 0.00 C ATOM 452 O LYS A 33 -7.794 -15.250 -14.729 1.00 0.00 O ATOM 453 CB LYS A 33 -6.639 -16.467 -17.040 1.00 0.00 C ATOM 454 CG LYS A 33 -7.394 -17.786 -16.849 1.00 0.00 C ATOM 455 CD LYS A 33 -8.370 -18.032 -18.006 1.00 0.00 C ATOM 456 CE LYS A 33 -8.813 -19.493 -18.131 1.00 0.00 C ATOM 457 NZ LYS A 33 -9.559 -19.951 -16.949 1.00 0.00 N ATOM 0 H LYS A 33 -6.143 -13.709 -17.714 1.00 0.00 H new ATOM 0 HA LYS A 33 -8.531 -15.424 -17.481 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -6.037 -16.541 -17.945 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -5.948 -16.340 -16.207 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -6.684 -18.610 -16.786 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -7.940 -17.763 -15.906 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -9.250 -17.404 -17.868 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -7.900 -17.722 -18.939 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -9.436 -19.607 -19.018 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -7.937 -20.126 -18.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -9.838 -20.944 -17.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -8.957 -19.867 -16.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -10.410 -19.365 -16.827 1.00 0.00 H new ATOM 471 N VAL A 34 -7.820 -13.256 -15.763 1.00 0.00 N ATOM 472 CA VAL A 34 -7.805 -12.469 -14.518 1.00 0.00 C ATOM 473 C VAL A 34 -8.971 -11.464 -14.517 1.00 0.00 C ATOM 474 O VAL A 34 -8.958 -10.490 -15.268 1.00 0.00 O ATOM 475 CB VAL A 34 -6.471 -11.710 -14.356 1.00 0.00 C ATOM 476 CG1 VAL A 34 -6.457 -10.960 -13.020 1.00 0.00 C ATOM 477 CG2 VAL A 34 -5.246 -12.626 -14.408 1.00 0.00 C ATOM 0 H VAL A 34 -7.907 -12.697 -16.612 1.00 0.00 H new ATOM 0 HA VAL A 34 -7.914 -13.159 -13.682 1.00 0.00 H new ATOM 0 HB VAL A 34 -6.408 -11.020 -15.198 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -5.513 -10.427 -12.912 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -7.281 -10.247 -12.994 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -6.567 -11.672 -12.202 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -4.341 -12.030 -14.288 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -5.306 -13.360 -13.605 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -5.217 -13.141 -15.368 1.00 0.00 H new ATOM 487 N LYS A 35 -9.973 -11.662 -13.669 1.00 0.00 N ATOM 488 CA LYS A 35 -10.978 -10.598 -13.460 1.00 0.00 C ATOM 489 C LYS A 35 -10.668 -9.870 -12.147 1.00 0.00 C ATOM 490 O LYS A 35 -10.322 -10.482 -11.134 1.00 0.00 O ATOM 491 CB LYS A 35 -12.422 -11.129 -13.443 1.00 0.00 C ATOM 492 CG LYS A 35 -12.851 -11.709 -14.795 1.00 0.00 C ATOM 493 CD LYS A 35 -14.282 -12.250 -14.738 1.00 0.00 C ATOM 494 CE LYS A 35 -14.719 -12.808 -16.095 1.00 0.00 C ATOM 495 NZ LYS A 35 -16.096 -13.314 -16.018 1.00 0.00 N ATOM 0 H LYS A 35 -10.120 -12.513 -13.127 1.00 0.00 H new ATOM 0 HA LYS A 35 -10.912 -9.912 -14.304 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -12.514 -11.898 -12.676 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -13.099 -10.321 -13.167 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -12.781 -10.938 -15.563 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -12.169 -12.509 -15.083 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -14.348 -13.033 -13.982 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -14.962 -11.455 -14.433 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -14.652 -12.029 -16.855 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -14.046 -13.609 -16.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -16.380 -13.690 -16.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -16.148 -14.071 -15.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -16.736 -12.540 -15.747 1.00 0.00 H new ATOM 509 N PHE A 36 -10.817 -8.549 -12.171 1.00 0.00 N ATOM 510 CA PHE A 36 -10.610 -7.746 -10.951 1.00 0.00 C ATOM 511 C PHE A 36 -11.940 -7.652 -10.193 1.00 0.00 C ATOM 512 O PHE A 36 -13.016 -7.540 -10.780 1.00 0.00 O ATOM 513 CB PHE A 36 -10.005 -6.355 -11.220 1.00 0.00 C ATOM 514 CG PHE A 36 -8.682 -6.366 -11.980 1.00 0.00 C ATOM 515 CD1 PHE A 36 -7.600 -7.053 -11.511 1.00 0.00 C ATOM 516 CD2 PHE A 36 -8.558 -5.615 -13.109 1.00 0.00 C ATOM 517 CE1 PHE A 36 -6.413 -6.986 -12.168 1.00 0.00 C ATOM 518 CE2 PHE A 36 -7.368 -5.541 -13.756 1.00 0.00 C ATOM 519 CZ PHE A 36 -6.297 -6.227 -13.287 1.00 0.00 C ATOM 0 H PHE A 36 -11.075 -8.012 -12.999 1.00 0.00 H new ATOM 0 HA PHE A 36 -9.866 -8.254 -10.337 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -10.726 -5.764 -11.784 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -9.855 -5.849 -10.266 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -7.688 -7.651 -10.616 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -9.412 -5.075 -13.491 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -5.561 -7.537 -11.799 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -7.274 -4.935 -14.645 1.00 0.00 H new ATOM 0 HZ PHE A 36 -5.351 -6.169 -13.804 1.00 0.00 H new ATOM 529 N VAL A 37 -11.849 -7.752 -8.870 1.00 0.00 N ATOM 530 CA VAL A 37 -13.045 -7.976 -8.037 1.00 0.00 C ATOM 531 C VAL A 37 -13.339 -6.805 -7.087 1.00 0.00 C ATOM 532 O VAL A 37 -14.504 -6.511 -6.816 1.00 0.00 O ATOM 533 CB VAL A 37 -12.916 -9.297 -7.257 1.00 0.00 C ATOM 534 CG1 VAL A 37 -12.833 -10.498 -8.202 1.00 0.00 C ATOM 535 CG2 VAL A 37 -11.756 -9.326 -6.258 1.00 0.00 C ATOM 0 H VAL A 37 -10.975 -7.684 -8.349 1.00 0.00 H new ATOM 0 HA VAL A 37 -13.896 -8.044 -8.715 1.00 0.00 H new ATOM 0 HB VAL A 37 -13.829 -9.365 -6.665 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -12.743 -11.414 -7.619 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -13.735 -10.544 -8.812 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -11.962 -10.392 -8.849 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -11.736 -10.291 -5.751 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -10.816 -9.175 -6.788 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -11.889 -8.533 -5.522 1.00 0.00 H new ATOM 545 N ASP A 38 -12.303 -6.127 -6.597 1.00 0.00 N ATOM 546 CA ASP A 38 -12.518 -4.908 -5.807 1.00 0.00 C ATOM 547 C ASP A 38 -11.793 -3.747 -6.482 1.00 0.00 C ATOM 548 O ASP A 38 -10.970 -3.911 -7.387 1.00 0.00 O ATOM 549 CB ASP A 38 -12.009 -5.044 -4.359 1.00 0.00 C ATOM 550 CG ASP A 38 -12.844 -6.000 -3.512 1.00 0.00 C ATOM 551 OD1 ASP A 38 -12.645 -7.229 -3.611 1.00 0.00 O ATOM 552 OD2 ASP A 38 -13.703 -5.521 -2.740 1.00 0.00 O ATOM 0 H ASP A 38 -11.326 -6.390 -6.726 1.00 0.00 H new ATOM 0 HA ASP A 38 -13.592 -4.730 -5.761 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -10.976 -5.392 -4.376 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -12.006 -4.061 -3.888 1.00 0.00 H new ATOM 557 N GLN A 39 -12.089 -2.554 -5.986 1.00 0.00 N ATOM 558 CA GLN A 39 -11.366 -1.359 -6.424 1.00 0.00 C ATOM 559 C GLN A 39 -10.860 -0.692 -5.158 1.00 0.00 C ATOM 560 O GLN A 39 -11.501 -0.760 -4.110 1.00 0.00 O ATOM 561 CB GLN A 39 -12.289 -0.328 -7.098 1.00 0.00 C ATOM 562 CG GLN A 39 -13.465 -0.903 -7.885 1.00 0.00 C ATOM 563 CD GLN A 39 -13.055 -1.582 -9.191 1.00 0.00 C ATOM 564 OE1 GLN A 39 -12.957 -2.804 -9.280 1.00 0.00 O ATOM 565 NE2 GLN A 39 -12.820 -0.796 -10.228 1.00 0.00 N ATOM 0 H GLN A 39 -12.814 -2.384 -5.289 1.00 0.00 H new ATOM 0 HA GLN A 39 -10.592 -1.657 -7.132 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -12.681 0.338 -6.329 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -11.689 0.283 -7.772 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -13.991 -1.625 -7.260 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -14.169 -0.101 -8.108 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -12.907 0.216 -10.131 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -12.551 -1.201 -11.125 1.00 0.00 H new ATOM 574 N PHE A 40 -9.788 0.068 -5.295 1.00 0.00 N ATOM 575 CA PHE A 40 -9.312 0.896 -4.177 1.00 0.00 C ATOM 576 C PHE A 40 -8.955 2.273 -4.744 1.00 0.00 C ATOM 577 O PHE A 40 -7.985 2.413 -5.487 1.00 0.00 O ATOM 578 CB PHE A 40 -8.069 0.290 -3.507 1.00 0.00 C ATOM 579 CG PHE A 40 -8.220 -0.945 -2.616 1.00 0.00 C ATOM 580 CD1 PHE A 40 -9.407 -1.400 -2.110 1.00 0.00 C ATOM 581 CD2 PHE A 40 -7.068 -1.563 -2.241 1.00 0.00 C ATOM 582 CE1 PHE A 40 -9.429 -2.455 -1.255 1.00 0.00 C ATOM 583 CE2 PHE A 40 -7.088 -2.587 -1.355 1.00 0.00 C ATOM 584 CZ PHE A 40 -8.268 -3.044 -0.878 1.00 0.00 C ATOM 0 H PHE A 40 -9.233 0.136 -6.148 1.00 0.00 H new ATOM 0 HA PHE A 40 -10.094 0.959 -3.421 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -7.362 0.038 -4.297 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -7.608 1.073 -2.905 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -10.331 -0.918 -2.392 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -6.126 -1.233 -2.655 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -10.371 -2.824 -0.876 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -6.162 -3.038 -1.030 1.00 0.00 H new ATOM 0 HZ PHE A 40 -8.285 -3.880 -0.195 1.00 0.00 H new ATOM 594 N LEU A 41 -9.696 3.319 -4.380 1.00 0.00 N ATOM 595 CA LEU A 41 -9.330 4.662 -4.834 1.00 0.00 C ATOM 596 C LEU A 41 -8.283 5.191 -3.850 1.00 0.00 C ATOM 597 O LEU A 41 -8.306 4.861 -2.663 1.00 0.00 O ATOM 598 CB LEU A 41 -10.585 5.555 -4.801 1.00 0.00 C ATOM 599 CG LEU A 41 -11.735 5.218 -5.772 1.00 0.00 C ATOM 600 CD1 LEU A 41 -11.247 5.117 -7.217 1.00 0.00 C ATOM 601 CD2 LEU A 41 -12.500 3.944 -5.394 1.00 0.00 C ATOM 0 H LEU A 41 -10.527 3.269 -3.791 1.00 0.00 H new ATOM 0 HA LEU A 41 -8.933 4.654 -5.849 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -10.985 5.532 -3.787 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -10.271 6.580 -4.997 1.00 0.00 H new ATOM 0 HG LEU A 41 -12.431 6.052 -5.687 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -12.087 4.878 -7.869 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -10.811 6.068 -7.521 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -10.495 4.332 -7.293 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -13.294 3.768 -6.119 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -11.816 3.096 -5.392 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -12.935 4.062 -4.401 1.00 0.00 H new ATOM 613 N ILE A 42 -7.365 6.034 -4.312 1.00 0.00 N ATOM 614 CA ILE A 42 -6.305 6.525 -3.416 1.00 0.00 C ATOM 615 C ILE A 42 -6.832 7.368 -2.236 1.00 0.00 C ATOM 616 O ILE A 42 -6.374 7.204 -1.102 1.00 0.00 O ATOM 617 CB ILE A 42 -5.200 7.155 -4.288 1.00 0.00 C ATOM 618 CG1 ILE A 42 -3.914 7.443 -3.515 1.00 0.00 C ATOM 619 CG2 ILE A 42 -5.611 8.449 -4.991 1.00 0.00 C ATOM 620 CD1 ILE A 42 -3.432 6.243 -2.699 1.00 0.00 C ATOM 0 H ILE A 42 -7.325 6.387 -5.268 1.00 0.00 H new ATOM 0 HA ILE A 42 -5.846 5.699 -2.872 1.00 0.00 H new ATOM 0 HB ILE A 42 -5.024 6.385 -5.039 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -3.133 7.738 -4.216 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -4.079 8.288 -2.847 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -4.775 8.823 -5.582 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -6.460 8.253 -5.646 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -5.892 9.194 -4.247 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -2.515 6.506 -2.171 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -4.199 5.963 -1.977 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -3.238 5.403 -3.366 1.00 0.00 H new ATOM 632 N ASN A 43 -7.824 8.228 -2.471 1.00 0.00 N ATOM 633 CA ASN A 43 -8.387 9.029 -1.372 1.00 0.00 C ATOM 634 C ASN A 43 -9.391 8.252 -0.500 1.00 0.00 C ATOM 635 O ASN A 43 -9.489 8.519 0.698 1.00 0.00 O ATOM 636 CB ASN A 43 -9.042 10.278 -1.985 1.00 0.00 C ATOM 637 CG ASN A 43 -9.490 11.293 -0.934 1.00 0.00 C ATOM 638 OD1 ASN A 43 -10.634 11.289 -0.482 1.00 0.00 O ATOM 639 ND2 ASN A 43 -8.594 12.178 -0.532 1.00 0.00 N ATOM 0 H ASN A 43 -8.248 8.389 -3.385 1.00 0.00 H new ATOM 0 HA ASN A 43 -7.577 9.305 -0.697 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -8.336 10.755 -2.665 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -9.903 9.975 -2.580 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -8.845 12.877 0.167 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -7.651 12.162 -0.921 1.00 0.00 H new ATOM 646 N LYS A 44 -10.121 7.279 -1.052 1.00 0.00 N ATOM 647 CA LYS A 44 -11.097 6.531 -0.248 1.00 0.00 C ATOM 648 C LYS A 44 -10.463 5.393 0.564 1.00 0.00 C ATOM 649 O LYS A 44 -10.962 5.059 1.638 1.00 0.00 O ATOM 650 CB LYS A 44 -12.179 5.964 -1.172 1.00 0.00 C ATOM 651 CG LYS A 44 -13.018 7.055 -1.847 1.00 0.00 C ATOM 652 CD LYS A 44 -14.156 6.451 -2.675 1.00 0.00 C ATOM 653 CE LYS A 44 -15.018 7.517 -3.355 1.00 0.00 C ATOM 654 NZ LYS A 44 -14.259 8.250 -4.384 1.00 0.00 N ATOM 0 H LYS A 44 -10.060 6.994 -2.029 1.00 0.00 H new ATOM 0 HA LYS A 44 -11.526 7.228 0.471 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -11.709 5.348 -1.938 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -12.836 5.311 -0.597 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -13.431 7.720 -1.089 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -12.380 7.661 -2.490 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -13.737 5.789 -3.433 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -14.785 5.838 -2.029 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -15.889 7.046 -3.811 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -15.389 8.218 -2.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -14.220 9.259 -4.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -13.293 7.869 -4.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -14.728 8.140 -5.306 1.00 0.00 H new ATOM 668 N LEU A 45 -9.371 4.791 0.091 1.00 0.00 N ATOM 669 CA LEU A 45 -8.665 3.782 0.903 1.00 0.00 C ATOM 670 C LEU A 45 -7.938 4.415 2.095 1.00 0.00 C ATOM 671 O LEU A 45 -7.980 3.901 3.213 1.00 0.00 O ATOM 672 CB LEU A 45 -7.650 3.076 -0.008 1.00 0.00 C ATOM 673 CG LEU A 45 -7.408 1.583 0.281 1.00 0.00 C ATOM 674 CD1 LEU A 45 -6.680 1.358 1.605 1.00 0.00 C ATOM 675 CD2 LEU A 45 -8.710 0.777 0.255 1.00 0.00 C ATOM 0 H LEU A 45 -8.960 4.973 -0.824 1.00 0.00 H new ATOM 0 HA LEU A 45 -9.391 3.077 1.308 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -7.987 3.176 -1.040 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -6.697 3.600 0.069 1.00 0.00 H new ATOM 0 HG LEU A 45 -6.764 1.224 -0.522 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.533 0.289 1.763 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -5.711 1.857 1.577 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -7.275 1.767 2.422 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -8.494 -0.271 0.464 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -9.393 1.164 1.011 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -9.172 0.863 -0.729 1.00 0.00 H new ATOM 687 N ASN A 46 -7.325 5.570 1.858 1.00 0.00 N ATOM 688 CA ASN A 46 -6.688 6.317 2.952 1.00 0.00 C ATOM 689 C ASN A 46 -7.697 7.009 3.902 1.00 0.00 C ATOM 690 O ASN A 46 -7.341 7.335 5.034 1.00 0.00 O ATOM 691 CB ASN A 46 -5.692 7.288 2.299 1.00 0.00 C ATOM 692 CG ASN A 46 -4.858 8.074 3.311 1.00 0.00 C ATOM 693 OD1 ASN A 46 -4.002 7.526 4.004 1.00 0.00 O ATOM 694 ND2 ASN A 46 -5.096 9.371 3.407 1.00 0.00 N ATOM 0 H ASN A 46 -7.252 6.008 0.940 1.00 0.00 H new ATOM 0 HA ASN A 46 -6.164 5.632 3.619 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -5.023 6.727 1.646 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -6.239 7.988 1.668 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -4.565 9.940 4.066 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -5.811 9.803 2.822 1.00 0.00 H new ATOM 701 N ASP A 47 -8.951 7.211 3.483 1.00 0.00 N ATOM 702 CA ASP A 47 -9.974 7.768 4.384 1.00 0.00 C ATOM 703 C ASP A 47 -10.779 6.667 5.097 1.00 0.00 C ATOM 704 O ASP A 47 -10.967 6.762 6.311 1.00 0.00 O ATOM 705 CB ASP A 47 -10.886 8.745 3.620 1.00 0.00 C ATOM 706 CG ASP A 47 -10.251 10.125 3.450 1.00 0.00 C ATOM 707 OD1 ASP A 47 -9.160 10.223 2.850 1.00 0.00 O ATOM 708 OD2 ASP A 47 -10.847 11.119 3.917 1.00 0.00 O ATOM 0 H ASP A 47 -9.282 7.002 2.541 1.00 0.00 H new ATOM 0 HA ASP A 47 -9.462 8.326 5.168 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -11.116 8.331 2.638 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -11.832 8.847 4.152 1.00 0.00 H new ATOM 713 N GLY A 48 -11.255 5.628 4.400 1.00 0.00 N ATOM 714 CA GLY A 48 -11.919 4.513 5.097 1.00 0.00 C ATOM 715 C GLY A 48 -13.258 4.028 4.518 1.00 0.00 C ATOM 716 O GLY A 48 -13.990 3.321 5.213 1.00 0.00 O ATOM 0 H GLY A 48 -11.198 5.533 3.386 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -11.232 3.667 5.116 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -12.085 4.811 6.132 1.00 0.00 H new ATOM 720 N SER A 49 -13.622 4.388 3.287 1.00 0.00 N ATOM 721 CA SER A 49 -14.945 4.003 2.749 1.00 0.00 C ATOM 722 C SER A 49 -15.072 2.538 2.269 1.00 0.00 C ATOM 723 O SER A 49 -16.176 2.074 1.985 1.00 0.00 O ATOM 724 CB SER A 49 -15.271 4.961 1.597 1.00 0.00 C ATOM 725 OG SER A 49 -16.604 4.762 1.148 1.00 0.00 O ATOM 0 H SER A 49 -13.041 4.933 2.649 1.00 0.00 H new ATOM 0 HA SER A 49 -15.654 4.076 3.574 1.00 0.00 H new ATOM 0 HB2 SER A 49 -15.142 5.992 1.926 1.00 0.00 H new ATOM 0 HB3 SER A 49 -14.575 4.799 0.774 1.00 0.00 H new ATOM 0 HG SER A 49 -16.909 3.870 1.415 1.00 0.00 H new ATOM 731 N ILE A 50 -13.962 1.811 2.171 1.00 0.00 N ATOM 732 CA ILE A 50 -13.947 0.496 1.510 1.00 0.00 C ATOM 733 C ILE A 50 -13.630 -0.588 2.532 1.00 0.00 C ATOM 734 O ILE A 50 -12.595 -0.538 3.198 1.00 0.00 O ATOM 735 CB ILE A 50 -12.924 0.405 0.368 1.00 0.00 C ATOM 736 CG1 ILE A 50 -13.078 1.623 -0.555 1.00 0.00 C ATOM 737 CG2 ILE A 50 -13.093 -0.943 -0.354 1.00 0.00 C ATOM 738 CD1 ILE A 50 -12.405 1.444 -1.909 1.00 0.00 C ATOM 0 H ILE A 50 -13.057 2.105 2.539 1.00 0.00 H new ATOM 0 HA ILE A 50 -14.938 0.356 1.078 1.00 0.00 H new ATOM 0 HB ILE A 50 -11.903 0.433 0.749 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -14.139 1.822 -0.708 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -12.658 2.499 -0.061 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -12.369 -1.014 -1.166 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -12.927 -1.757 0.352 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -14.102 -1.014 -0.760 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -12.553 2.341 -2.510 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -11.338 1.275 -1.765 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -12.842 0.587 -2.422 1.00 0.00 H new ATOM 750 N THR A 51 -14.536 -1.551 2.682 1.00 0.00 N ATOM 751 CA THR A 51 -14.375 -2.516 3.777 1.00 0.00 C ATOM 752 C THR A 51 -13.749 -3.807 3.242 1.00 0.00 C ATOM 753 O THR A 51 -14.213 -4.456 2.305 1.00 0.00 O ATOM 754 CB THR A 51 -15.685 -2.811 4.537 1.00 0.00 C ATOM 755 OG1 THR A 51 -16.295 -1.587 4.925 1.00 0.00 O ATOM 756 CG2 THR A 51 -15.406 -3.636 5.796 1.00 0.00 C ATOM 0 H THR A 51 -15.356 -1.686 2.091 1.00 0.00 H new ATOM 0 HA THR A 51 -13.708 -2.059 4.508 1.00 0.00 H new ATOM 0 HB THR A 51 -16.345 -3.373 3.876 1.00 0.00 H new ATOM 0 HG1 THR A 51 -17.128 -1.775 5.406 1.00 0.00 H new ATOM 0 HG21 THR A 51 -16.343 -3.833 6.317 1.00 0.00 H new ATOM 0 HG22 THR A 51 -14.941 -4.581 5.516 1.00 0.00 H new ATOM 0 HG23 THR A 51 -14.735 -3.082 6.453 1.00 0.00 H new ATOM 764 N LEU A 52 -12.595 -4.074 3.845 1.00 0.00 N ATOM 765 CA LEU A 52 -11.581 -4.945 3.251 1.00 0.00 C ATOM 766 C LEU A 52 -11.300 -6.164 4.125 1.00 0.00 C ATOM 767 O LEU A 52 -10.860 -6.055 5.272 1.00 0.00 O ATOM 768 CB LEU A 52 -10.300 -4.129 3.047 1.00 0.00 C ATOM 769 CG LEU A 52 -9.117 -4.944 2.506 1.00 0.00 C ATOM 770 CD1 LEU A 52 -9.475 -5.561 1.149 1.00 0.00 C ATOM 771 CD2 LEU A 52 -7.881 -4.047 2.410 1.00 0.00 C ATOM 0 H LEU A 52 -12.335 -3.695 4.756 1.00 0.00 H new ATOM 0 HA LEU A 52 -11.950 -5.317 2.295 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -10.509 -3.311 2.358 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -10.013 -3.679 3.998 1.00 0.00 H new ATOM 0 HG LEU A 52 -8.892 -5.763 3.189 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -8.628 -6.136 0.776 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -10.337 -6.218 1.264 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -9.715 -4.768 0.441 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -7.041 -4.625 2.026 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -8.087 -3.215 1.737 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -7.634 -3.661 3.399 1.00 0.00 H new ATOM 783 N GLU A 53 -11.523 -7.329 3.538 1.00 0.00 N ATOM 784 CA GLU A 53 -11.044 -8.569 4.162 1.00 0.00 C ATOM 785 C GLU A 53 -9.721 -8.992 3.506 1.00 0.00 C ATOM 786 O GLU A 53 -9.270 -8.432 2.504 1.00 0.00 O ATOM 787 CB GLU A 53 -12.114 -9.663 4.004 1.00 0.00 C ATOM 788 CG GLU A 53 -13.397 -9.345 4.781 1.00 0.00 C ATOM 789 CD GLU A 53 -14.426 -10.457 4.626 1.00 0.00 C ATOM 790 OE1 GLU A 53 -14.422 -11.401 5.445 1.00 0.00 O ATOM 791 OE2 GLU A 53 -15.247 -10.393 3.684 1.00 0.00 O ATOM 0 H GLU A 53 -12.018 -7.450 2.654 1.00 0.00 H new ATOM 0 HA GLU A 53 -10.865 -8.411 5.226 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -12.353 -9.783 2.947 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -11.710 -10.615 4.350 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -13.161 -9.209 5.836 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -13.818 -8.405 4.424 1.00 0.00 H new ATOM 798 N ASN A 54 -9.074 -9.973 4.120 1.00 0.00 N ATOM 799 CA ASN A 54 -7.688 -10.313 3.757 1.00 0.00 C ATOM 800 C ASN A 54 -7.690 -11.670 3.054 1.00 0.00 C ATOM 801 O ASN A 54 -7.481 -12.706 3.690 1.00 0.00 O ATOM 802 CB ASN A 54 -6.851 -10.369 5.046 1.00 0.00 C ATOM 803 CG ASN A 54 -6.464 -8.986 5.574 1.00 0.00 C ATOM 804 OD1 ASN A 54 -6.108 -8.080 4.822 1.00 0.00 O ATOM 805 ND2 ASN A 54 -6.519 -8.810 6.882 1.00 0.00 N ATOM 0 H ASN A 54 -9.472 -10.546 4.864 1.00 0.00 H new ATOM 0 HA ASN A 54 -7.260 -9.568 3.086 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -7.414 -10.900 5.814 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -5.945 -10.946 4.859 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -6.263 -7.909 7.287 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -6.817 -9.575 7.487 1.00 0.00 H new ATOM 812 N ALA A 55 -7.865 -11.682 1.731 1.00 0.00 N ATOM 813 CA ALA A 55 -7.661 -12.939 0.999 1.00 0.00 C ATOM 814 C ALA A 55 -7.034 -12.783 -0.394 1.00 0.00 C ATOM 815 O ALA A 55 -5.839 -12.501 -0.502 1.00 0.00 O ATOM 816 CB ALA A 55 -8.974 -13.729 1.026 1.00 0.00 C ATOM 0 H ALA A 55 -8.135 -10.878 1.164 1.00 0.00 H new ATOM 0 HA ALA A 55 -6.892 -13.518 1.511 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -8.845 -14.668 0.487 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -9.251 -13.939 2.059 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -9.761 -13.143 0.551 1.00 0.00 H new ATOM 822 N LYS A 56 -7.746 -13.213 -1.435 1.00 0.00 N ATOM 823 CA LYS A 56 -7.087 -13.586 -2.696 1.00 0.00 C ATOM 824 C LYS A 56 -7.160 -12.501 -3.758 1.00 0.00 C ATOM 825 O LYS A 56 -7.584 -12.751 -4.887 1.00 0.00 O ATOM 826 CB LYS A 56 -7.711 -14.894 -3.190 1.00 0.00 C ATOM 827 CG LYS A 56 -7.228 -16.046 -2.312 1.00 0.00 C ATOM 828 CD LYS A 56 -8.021 -17.326 -2.579 1.00 0.00 C ATOM 829 CE LYS A 56 -7.598 -18.446 -1.625 1.00 0.00 C ATOM 830 NZ LYS A 56 -8.373 -19.667 -1.895 1.00 0.00 N ATOM 0 H LYS A 56 -8.761 -13.312 -1.437 1.00 0.00 H new ATOM 0 HA LYS A 56 -6.023 -13.719 -2.503 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -8.798 -14.827 -3.156 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -7.435 -15.073 -4.229 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -6.169 -16.227 -2.498 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -7.324 -15.770 -1.262 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -9.087 -17.128 -2.463 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -7.867 -17.645 -3.610 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -6.534 -18.650 -1.742 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -7.751 -18.131 -0.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -8.076 -20.419 -1.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -9.386 -19.472 -1.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -8.206 -19.975 -2.874 1.00 0.00 H new ATOM 844 N TYR A 57 -6.665 -11.315 -3.433 1.00 0.00 N ATOM 845 CA TYR A 57 -6.510 -10.301 -4.489 1.00 0.00 C ATOM 846 C TYR A 57 -5.050 -9.944 -4.849 1.00 0.00 C ATOM 847 O TYR A 57 -4.862 -8.917 -5.507 1.00 0.00 O ATOM 848 CB TYR A 57 -7.125 -8.935 -4.167 1.00 0.00 C ATOM 849 CG TYR A 57 -8.324 -8.922 -3.227 1.00 0.00 C ATOM 850 CD1 TYR A 57 -9.529 -9.398 -3.641 1.00 0.00 C ATOM 851 CD2 TYR A 57 -8.195 -8.426 -1.965 1.00 0.00 C ATOM 852 CE1 TYR A 57 -10.601 -9.364 -2.809 1.00 0.00 C ATOM 853 CE2 TYR A 57 -9.268 -8.394 -1.133 1.00 0.00 C ATOM 854 CZ TYR A 57 -10.471 -8.859 -1.554 1.00 0.00 C ATOM 855 OH TYR A 57 -11.555 -8.816 -0.714 1.00 0.00 O ATOM 0 H TYR A 57 -6.374 -11.031 -2.498 1.00 0.00 H new ATOM 0 HA TYR A 57 -7.024 -10.810 -5.304 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -6.347 -8.307 -3.733 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -7.425 -8.468 -5.105 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -9.633 -9.805 -4.636 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -7.238 -8.058 -1.626 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -11.557 -9.738 -3.144 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -9.163 -7.997 -0.134 1.00 0.00 H new ATOM 0 HH TYR A 57 -11.288 -8.427 0.145 1.00 0.00 H new ATOM 865 N GLU A 58 -3.996 -10.649 -4.408 1.00 0.00 N ATOM 866 CA GLU A 58 -2.636 -10.091 -4.629 1.00 0.00 C ATOM 867 C GLU A 58 -2.132 -10.310 -6.079 1.00 0.00 C ATOM 868 O GLU A 58 -0.933 -10.402 -6.328 1.00 0.00 O ATOM 869 CB GLU A 58 -1.566 -10.473 -3.595 1.00 0.00 C ATOM 870 CG GLU A 58 -1.660 -9.587 -2.345 1.00 0.00 C ATOM 871 CD GLU A 58 -0.365 -9.620 -1.547 1.00 0.00 C ATOM 872 OE1 GLU A 58 0.659 -9.101 -2.045 1.00 0.00 O ATOM 873 OE2 GLU A 58 -0.361 -10.147 -0.415 1.00 0.00 O ATOM 0 H GLU A 58 -4.039 -11.547 -3.927 1.00 0.00 H new ATOM 0 HA GLU A 58 -2.785 -9.023 -4.471 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -1.687 -11.519 -3.312 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -0.576 -10.375 -4.040 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -1.883 -8.561 -2.639 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -2.485 -9.925 -1.718 1.00 0.00 H new ATOM 880 N THR A 59 -3.017 -10.008 -7.029 1.00 0.00 N ATOM 881 CA THR A 59 -2.563 -9.543 -8.354 1.00 0.00 C ATOM 882 C THR A 59 -3.060 -8.094 -8.358 1.00 0.00 C ATOM 883 O THR A 59 -4.243 -7.800 -8.195 1.00 0.00 O ATOM 884 CB THR A 59 -2.960 -10.382 -9.591 1.00 0.00 C ATOM 885 OG1 THR A 59 -1.875 -11.239 -9.921 1.00 0.00 O ATOM 886 CG2 THR A 59 -3.328 -9.563 -10.826 1.00 0.00 C ATOM 0 H THR A 59 -4.029 -10.072 -6.919 1.00 0.00 H new ATOM 0 HA THR A 59 -1.484 -9.650 -8.470 1.00 0.00 H new ATOM 0 HB THR A 59 -3.859 -10.931 -9.313 1.00 0.00 H new ATOM 0 HG1 THR A 59 -1.964 -11.536 -10.851 1.00 0.00 H new ATOM 0 HG21 THR A 59 -3.592 -10.235 -11.643 1.00 0.00 H new ATOM 0 HG22 THR A 59 -4.177 -8.920 -10.596 1.00 0.00 H new ATOM 0 HG23 THR A 59 -2.478 -8.949 -11.122 1.00 0.00 H new ATOM 894 N VAL A 60 -2.074 -7.220 -8.257 1.00 0.00 N ATOM 895 CA VAL A 60 -2.296 -5.873 -7.717 1.00 0.00 C ATOM 896 C VAL A 60 -1.950 -4.858 -8.821 1.00 0.00 C ATOM 897 O VAL A 60 -0.797 -4.751 -9.230 1.00 0.00 O ATOM 898 CB VAL A 60 -1.331 -5.729 -6.532 1.00 0.00 C ATOM 899 CG1 VAL A 60 -1.243 -4.323 -5.957 1.00 0.00 C ATOM 900 CG2 VAL A 60 -1.721 -6.661 -5.396 1.00 0.00 C ATOM 0 H VAL A 60 -1.112 -7.410 -8.538 1.00 0.00 H new ATOM 0 HA VAL A 60 -3.324 -5.705 -7.397 1.00 0.00 H new ATOM 0 HB VAL A 60 -0.356 -5.985 -6.948 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.539 -4.314 -5.125 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.900 -3.635 -6.730 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -2.226 -4.012 -5.604 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.021 -6.539 -4.569 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -2.729 -6.420 -5.057 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.693 -7.693 -5.746 1.00 0.00 H new ATOM 910 N HIS A 61 -2.940 -4.171 -9.363 1.00 0.00 N ATOM 911 CA HIS A 61 -2.729 -3.269 -10.502 1.00 0.00 C ATOM 912 C HIS A 61 -3.021 -1.815 -10.064 1.00 0.00 C ATOM 913 O HIS A 61 -4.179 -1.460 -9.884 1.00 0.00 O ATOM 914 CB HIS A 61 -3.687 -3.716 -11.639 1.00 0.00 C ATOM 915 CG HIS A 61 -2.971 -4.608 -12.625 1.00 0.00 C ATOM 916 ND1 HIS A 61 -3.020 -5.996 -12.606 1.00 0.00 N ATOM 917 CD2 HIS A 61 -2.039 -4.148 -13.548 1.00 0.00 C ATOM 918 CE1 HIS A 61 -2.092 -6.240 -13.587 1.00 0.00 C ATOM 919 NE2 HIS A 61 -1.492 -5.204 -14.243 1.00 0.00 N ATOM 0 H HIS A 61 -3.906 -4.215 -9.037 1.00 0.00 H new ATOM 0 HA HIS A 61 -1.699 -3.310 -10.856 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -4.539 -4.246 -11.215 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -4.081 -2.840 -12.154 1.00 0.00 H new ATOM 0 HD1 HIS A 61 -3.575 -6.636 -12.038 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -1.781 -3.110 -13.699 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -1.835 -7.258 -13.842 1.00 0.00 H new ATOM 927 N TYR A 62 -2.021 -0.952 -9.856 1.00 0.00 N ATOM 928 CA TYR A 62 -2.338 0.459 -9.519 1.00 0.00 C ATOM 929 C TYR A 62 -2.326 1.310 -10.804 1.00 0.00 C ATOM 930 O TYR A 62 -1.485 1.103 -11.682 1.00 0.00 O ATOM 931 CB TYR A 62 -1.202 1.001 -8.627 1.00 0.00 C ATOM 932 CG TYR A 62 -1.505 2.096 -7.620 1.00 0.00 C ATOM 933 CD1 TYR A 62 -2.547 2.961 -7.749 1.00 0.00 C ATOM 934 CD2 TYR A 62 -0.600 2.281 -6.621 1.00 0.00 C ATOM 935 CE1 TYR A 62 -2.684 4.000 -6.886 1.00 0.00 C ATOM 936 CE2 TYR A 62 -0.723 3.333 -5.774 1.00 0.00 C ATOM 937 CZ TYR A 62 -1.760 4.199 -5.911 1.00 0.00 C ATOM 938 OH TYR A 62 -1.851 5.288 -5.088 1.00 0.00 O ATOM 0 H TYR A 62 -1.028 -1.179 -9.909 1.00 0.00 H new ATOM 0 HA TYR A 62 -3.311 0.506 -9.029 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -0.786 0.157 -8.077 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -0.416 1.370 -9.286 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -3.268 2.821 -8.541 1.00 0.00 H new ATOM 0 HD2 TYR A 62 0.219 1.588 -6.502 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -3.528 4.668 -6.975 1.00 0.00 H new ATOM 0 HE2 TYR A 62 0.004 3.482 -4.990 1.00 0.00 H new ATOM 0 HH TYR A 62 -2.635 5.821 -5.336 1.00 0.00 H new ATOM 948 N LEU A 63 -3.241 2.272 -10.921 1.00 0.00 N ATOM 949 CA LEU A 63 -3.418 2.981 -12.185 1.00 0.00 C ATOM 950 C LEU A 63 -3.257 4.493 -11.952 1.00 0.00 C ATOM 951 O LEU A 63 -4.271 5.177 -11.800 1.00 0.00 O ATOM 952 CB LEU A 63 -4.812 2.586 -12.689 1.00 0.00 C ATOM 953 CG LEU A 63 -5.178 3.227 -14.018 1.00 0.00 C ATOM 954 CD1 LEU A 63 -4.297 2.619 -15.103 1.00 0.00 C ATOM 955 CD2 LEU A 63 -6.650 2.915 -14.240 1.00 0.00 C ATOM 0 H LEU A 63 -3.861 2.574 -10.169 1.00 0.00 H new ATOM 0 HA LEU A 63 -2.673 2.719 -12.936 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -4.859 1.502 -12.792 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -5.554 2.868 -11.942 1.00 0.00 H new ATOM 0 HG LEU A 63 -5.021 4.306 -14.035 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.544 3.066 -16.066 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -3.249 2.812 -14.872 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.466 1.543 -15.149 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -6.976 3.351 -15.184 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -6.792 1.835 -14.271 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -7.238 3.335 -13.424 1.00 0.00 H new ATOM 967 N THR A 64 -2.042 5.052 -11.871 1.00 0.00 N ATOM 968 CA THR A 64 -1.946 6.459 -11.431 1.00 0.00 C ATOM 969 C THR A 64 -0.994 7.267 -12.336 1.00 0.00 C ATOM 970 O THR A 64 0.160 7.489 -11.964 1.00 0.00 O ATOM 971 CB THR A 64 -1.521 6.470 -9.958 1.00 0.00 C ATOM 972 OG1 THR A 64 -2.476 5.745 -9.198 1.00 0.00 O ATOM 973 CG2 THR A 64 -1.457 7.888 -9.392 1.00 0.00 C ATOM 0 H THR A 64 -1.159 4.590 -12.088 1.00 0.00 H new ATOM 0 HA THR A 64 -2.915 6.951 -11.520 1.00 0.00 H new ATOM 0 HB THR A 64 -0.529 6.022 -9.898 1.00 0.00 H new ATOM 0 HG1 THR A 64 -2.013 5.167 -8.557 1.00 0.00 H new ATOM 0 HG21 THR A 64 -1.152 7.849 -8.346 1.00 0.00 H new ATOM 0 HG22 THR A 64 -0.734 8.474 -9.959 1.00 0.00 H new ATOM 0 HG23 THR A 64 -2.440 8.354 -9.466 1.00 0.00 H new ATOM 981 N PRO A 65 -1.426 7.763 -13.506 1.00 0.00 N ATOM 982 CA PRO A 65 -0.627 8.712 -14.291 1.00 0.00 C ATOM 983 C PRO A 65 -0.774 10.132 -13.720 1.00 0.00 C ATOM 984 O PRO A 65 -1.794 10.790 -13.931 1.00 0.00 O ATOM 985 CB PRO A 65 -1.285 8.575 -15.666 1.00 0.00 C ATOM 986 CG PRO A 65 -2.760 8.317 -15.353 1.00 0.00 C ATOM 987 CD PRO A 65 -2.751 7.478 -14.075 1.00 0.00 C ATOM 0 HA PRO A 65 0.447 8.524 -14.299 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -1.157 9.479 -16.261 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -0.849 7.754 -16.236 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -3.302 9.251 -15.208 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -3.250 7.787 -16.170 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -3.553 7.767 -13.396 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -2.880 6.417 -14.287 1.00 0.00 H new ATOM 995 N GLU A 66 0.242 10.628 -13.020 1.00 0.00 N ATOM 996 CA GLU A 66 0.247 12.053 -12.634 1.00 0.00 C ATOM 997 C GLU A 66 1.446 12.842 -13.183 1.00 0.00 C ATOM 998 O GLU A 66 1.309 14.030 -13.475 1.00 0.00 O ATOM 999 CB GLU A 66 0.184 12.134 -11.100 1.00 0.00 C ATOM 1000 CG GLU A 66 0.028 13.560 -10.548 1.00 0.00 C ATOM 1001 CD GLU A 66 -1.282 14.215 -10.973 1.00 0.00 C ATOM 1002 OE1 GLU A 66 -2.301 14.040 -10.272 1.00 0.00 O ATOM 1003 OE2 GLU A 66 -1.299 14.912 -12.011 1.00 0.00 O ATOM 0 H GLU A 66 1.053 10.092 -12.712 1.00 0.00 H new ATOM 0 HA GLU A 66 -0.626 12.526 -13.084 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -0.652 11.528 -10.750 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.092 11.694 -10.687 1.00 0.00 H new ATOM 0 HG2 GLU A 66 0.079 13.532 -9.460 1.00 0.00 H new ATOM 0 HG3 GLU A 66 0.863 14.171 -10.890 1.00 0.00 H new ATOM 1010 N ALA A 67 2.601 12.207 -13.379 1.00 0.00 N ATOM 1011 CA ALA A 67 3.697 12.879 -14.097 1.00 0.00 C ATOM 1012 C ALA A 67 4.615 11.861 -14.786 1.00 0.00 C ATOM 1013 O ALA A 67 4.429 10.648 -14.699 1.00 0.00 O ATOM 1014 CB ALA A 67 4.482 13.732 -13.090 1.00 0.00 C ATOM 0 H ALA A 67 2.805 11.258 -13.064 1.00 0.00 H new ATOM 0 HA ALA A 67 3.285 13.516 -14.880 1.00 0.00 H new ATOM 0 HB1 ALA A 67 5.300 14.239 -13.602 1.00 0.00 H new ATOM 0 HB2 ALA A 67 3.818 14.473 -12.645 1.00 0.00 H new ATOM 0 HB3 ALA A 67 4.887 13.090 -12.307 1.00 0.00 H new ATOM 1020 N GLN A 68 5.652 12.375 -15.445 1.00 0.00 N ATOM 1021 CA GLN A 68 6.721 11.502 -15.964 1.00 0.00 C ATOM 1022 C GLN A 68 7.656 10.991 -14.854 1.00 0.00 C ATOM 1023 O GLN A 68 8.179 9.881 -14.959 1.00 0.00 O ATOM 1024 CB GLN A 68 7.547 12.257 -17.017 1.00 0.00 C ATOM 1025 CG GLN A 68 6.732 12.605 -18.270 1.00 0.00 C ATOM 1026 CD GLN A 68 7.594 13.313 -19.311 1.00 0.00 C ATOM 1027 OE1 GLN A 68 8.289 12.683 -20.109 1.00 0.00 O ATOM 1028 NE2 GLN A 68 7.559 14.634 -19.318 1.00 0.00 N ATOM 0 H GLN A 68 5.781 13.369 -15.633 1.00 0.00 H new ATOM 0 HA GLN A 68 6.236 10.635 -16.412 1.00 0.00 H new ATOM 0 HB2 GLN A 68 7.938 13.174 -16.577 1.00 0.00 H new ATOM 0 HB3 GLN A 68 8.405 11.649 -17.304 1.00 0.00 H new ATOM 0 HG2 GLN A 68 6.314 11.695 -18.699 1.00 0.00 H new ATOM 0 HG3 GLN A 68 5.892 13.243 -17.995 1.00 0.00 H new ATOM 0 HE21 GLN A 68 6.975 15.132 -18.646 1.00 0.00 H new ATOM 0 HE22 GLN A 68 8.116 15.155 -19.995 1.00 0.00 H new ATOM 1037 N THR A 69 7.915 11.798 -13.822 1.00 0.00 N ATOM 1038 CA THR A 69 8.960 11.453 -12.842 1.00 0.00 C ATOM 1039 C THR A 69 8.419 10.392 -11.864 1.00 0.00 C ATOM 1040 O THR A 69 8.307 9.226 -12.243 1.00 0.00 O ATOM 1041 CB THR A 69 9.550 12.741 -12.223 1.00 0.00 C ATOM 1042 OG1 THR A 69 10.512 12.394 -11.237 1.00 0.00 O ATOM 1043 CG2 THR A 69 8.520 13.697 -11.602 1.00 0.00 C ATOM 0 H THR A 69 7.430 12.677 -13.641 1.00 0.00 H new ATOM 0 HA THR A 69 9.819 10.973 -13.311 1.00 0.00 H new ATOM 0 HB THR A 69 9.997 13.284 -13.056 1.00 0.00 H new ATOM 0 HG1 THR A 69 10.888 13.210 -10.845 1.00 0.00 H new ATOM 0 HG21 THR A 69 9.032 14.569 -11.195 1.00 0.00 H new ATOM 0 HG22 THR A 69 7.812 14.016 -12.367 1.00 0.00 H new ATOM 0 HG23 THR A 69 7.984 13.185 -10.803 1.00 0.00 H new ATOM 1051 N ASP A 70 8.066 10.751 -10.631 1.00 0.00 N ATOM 1052 CA ASP A 70 7.348 9.807 -9.762 1.00 0.00 C ATOM 1053 C ASP A 70 6.178 10.515 -9.062 1.00 0.00 C ATOM 1054 O ASP A 70 5.972 11.723 -9.189 1.00 0.00 O ATOM 1055 CB ASP A 70 8.337 9.237 -8.727 1.00 0.00 C ATOM 1056 CG ASP A 70 9.379 8.305 -9.340 1.00 0.00 C ATOM 1057 OD1 ASP A 70 10.436 8.796 -9.791 1.00 0.00 O ATOM 1058 OD2 ASP A 70 9.148 7.078 -9.364 1.00 0.00 O ATOM 0 H ASP A 70 8.257 11.663 -10.215 1.00 0.00 H new ATOM 0 HA ASP A 70 6.938 8.992 -10.358 1.00 0.00 H new ATOM 0 HB2 ASP A 70 8.846 10.062 -8.228 1.00 0.00 H new ATOM 0 HB3 ASP A 70 7.780 8.696 -7.962 1.00 0.00 H new ATOM 1063 N ILE A 71 5.434 9.744 -8.270 1.00 0.00 N ATOM 1064 CA ILE A 71 4.418 10.319 -7.369 1.00 0.00 C ATOM 1065 C ILE A 71 4.915 10.201 -5.914 1.00 0.00 C ATOM 1066 O ILE A 71 6.103 9.988 -5.665 1.00 0.00 O ATOM 1067 CB ILE A 71 3.046 9.647 -7.626 1.00 0.00 C ATOM 1068 CG1 ILE A 71 3.078 8.119 -7.429 1.00 0.00 C ATOM 1069 CG2 ILE A 71 2.536 10.015 -9.026 1.00 0.00 C ATOM 1070 CD1 ILE A 71 1.694 7.473 -7.516 1.00 0.00 C ATOM 0 H ILE A 71 5.509 8.728 -8.229 1.00 0.00 H new ATOM 0 HA ILE A 71 4.270 11.381 -7.566 1.00 0.00 H new ATOM 0 HB ILE A 71 2.352 10.031 -6.878 1.00 0.00 H new ATOM 0 HG12 ILE A 71 3.728 7.675 -8.183 1.00 0.00 H new ATOM 0 HG13 ILE A 71 3.517 7.893 -6.457 1.00 0.00 H new ATOM 0 HG21 ILE A 71 1.571 9.538 -9.199 1.00 0.00 H new ATOM 0 HG22 ILE A 71 2.425 11.097 -9.100 1.00 0.00 H new ATOM 0 HG23 ILE A 71 3.249 9.671 -9.775 1.00 0.00 H new ATOM 0 HD11 ILE A 71 1.785 6.397 -7.369 1.00 0.00 H new ATOM 0 HD12 ILE A 71 1.048 7.891 -6.744 1.00 0.00 H new ATOM 0 HD13 ILE A 71 1.262 7.670 -8.497 1.00 0.00 H new ATOM 1082 N LYS A 72 3.993 10.230 -4.952 1.00 0.00 N ATOM 1083 CA LYS A 72 4.327 9.785 -3.589 1.00 0.00 C ATOM 1084 C LYS A 72 3.313 8.701 -3.205 1.00 0.00 C ATOM 1085 O LYS A 72 2.115 8.819 -3.475 1.00 0.00 O ATOM 1086 CB LYS A 72 4.249 10.956 -2.599 1.00 0.00 C ATOM 1087 CG LYS A 72 5.345 11.999 -2.838 1.00 0.00 C ATOM 1088 CD LYS A 72 5.277 13.123 -1.803 1.00 0.00 C ATOM 1089 CE LYS A 72 6.378 14.160 -2.042 1.00 0.00 C ATOM 1090 NZ LYS A 72 6.299 15.229 -1.036 1.00 0.00 N ATOM 0 H LYS A 72 3.032 10.547 -5.079 1.00 0.00 H new ATOM 0 HA LYS A 72 5.345 9.397 -3.556 1.00 0.00 H new ATOM 0 HB2 LYS A 72 3.273 11.434 -2.682 1.00 0.00 H new ATOM 0 HB3 LYS A 72 4.331 10.574 -1.582 1.00 0.00 H new ATOM 0 HG2 LYS A 72 6.323 11.519 -2.793 1.00 0.00 H new ATOM 0 HG3 LYS A 72 5.240 12.417 -3.839 1.00 0.00 H new ATOM 0 HD2 LYS A 72 4.301 13.607 -1.850 1.00 0.00 H new ATOM 0 HD3 LYS A 72 5.378 12.706 -0.801 1.00 0.00 H new ATOM 0 HE2 LYS A 72 7.355 13.680 -1.996 1.00 0.00 H new ATOM 0 HE3 LYS A 72 6.277 14.584 -3.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 7.051 15.926 -1.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 5.372 15.697 -1.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 6.417 14.822 -0.086 1.00 0.00 H new ATOM 1104 N PHE A 73 3.789 7.653 -2.542 1.00 0.00 N ATOM 1105 CA PHE A 73 2.866 6.671 -1.940 1.00 0.00 C ATOM 1106 C PHE A 73 3.302 6.450 -0.492 1.00 0.00 C ATOM 1107 O PHE A 73 4.504 6.418 -0.219 1.00 0.00 O ATOM 1108 CB PHE A 73 2.965 5.397 -2.809 1.00 0.00 C ATOM 1109 CG PHE A 73 1.971 4.262 -2.585 1.00 0.00 C ATOM 1110 CD1 PHE A 73 0.684 4.484 -2.202 1.00 0.00 C ATOM 1111 CD2 PHE A 73 2.367 2.989 -2.876 1.00 0.00 C ATOM 1112 CE1 PHE A 73 -0.181 3.448 -2.066 1.00 0.00 C ATOM 1113 CE2 PHE A 73 1.486 1.961 -2.782 1.00 0.00 C ATOM 1114 CZ PHE A 73 0.230 2.185 -2.332 1.00 0.00 C ATOM 0 H PHE A 73 4.780 7.455 -2.404 1.00 0.00 H new ATOM 0 HA PHE A 73 1.826 6.995 -1.916 1.00 0.00 H new ATOM 0 HB2 PHE A 73 2.882 5.704 -3.852 1.00 0.00 H new ATOM 0 HB3 PHE A 73 3.966 4.987 -2.676 1.00 0.00 H new ATOM 0 HD1 PHE A 73 0.349 5.492 -2.005 1.00 0.00 H new ATOM 0 HD2 PHE A 73 3.385 2.799 -3.182 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -1.196 3.630 -1.746 1.00 0.00 H new ATOM 0 HE2 PHE A 73 1.788 0.964 -3.067 1.00 0.00 H new ATOM 0 HZ PHE A 73 -0.446 1.356 -2.185 1.00 0.00 H new ATOM 1124 N PRO A 74 2.393 6.149 0.443 1.00 0.00 N ATOM 1125 CA PRO A 74 2.820 5.808 1.797 1.00 0.00 C ATOM 1126 C PRO A 74 3.235 4.336 1.871 1.00 0.00 C ATOM 1127 O PRO A 74 2.699 3.481 1.164 1.00 0.00 O ATOM 1128 CB PRO A 74 1.574 6.119 2.625 1.00 0.00 C ATOM 1129 CG PRO A 74 0.678 6.993 1.757 1.00 0.00 C ATOM 1130 CD PRO A 74 0.980 6.534 0.343 1.00 0.00 C ATOM 0 HA PRO A 74 3.694 6.356 2.149 1.00 0.00 H new ATOM 0 HB2 PRO A 74 1.060 5.201 2.910 1.00 0.00 H new ATOM 0 HB3 PRO A 74 1.841 6.635 3.547 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -0.375 6.857 2.005 1.00 0.00 H new ATOM 0 HG3 PRO A 74 0.902 8.051 1.890 1.00 0.00 H new ATOM 0 HD2 PRO A 74 0.349 5.697 0.042 1.00 0.00 H new ATOM 0 HD3 PRO A 74 0.824 7.329 -0.386 1.00 0.00 H new ATOM 1138 N LYS A 75 4.175 4.036 2.756 1.00 0.00 N ATOM 1139 CA LYS A 75 4.523 2.629 3.026 1.00 0.00 C ATOM 1140 C LYS A 75 3.350 1.812 3.610 1.00 0.00 C ATOM 1141 O LYS A 75 3.213 0.618 3.340 1.00 0.00 O ATOM 1142 CB LYS A 75 5.735 2.549 3.964 1.00 0.00 C ATOM 1143 CG LYS A 75 7.007 3.121 3.325 1.00 0.00 C ATOM 1144 CD LYS A 75 8.208 3.003 4.265 1.00 0.00 C ATOM 1145 CE LYS A 75 9.469 3.574 3.616 1.00 0.00 C ATOM 1146 NZ LYS A 75 10.609 3.472 4.539 1.00 0.00 N ATOM 0 H LYS A 75 4.705 4.722 3.293 1.00 0.00 H new ATOM 0 HA LYS A 75 4.769 2.183 2.062 1.00 0.00 H new ATOM 0 HB2 LYS A 75 5.517 3.093 4.883 1.00 0.00 H new ATOM 0 HB3 LYS A 75 5.907 1.509 4.243 1.00 0.00 H new ATOM 0 HG2 LYS A 75 7.218 2.592 2.395 1.00 0.00 H new ATOM 0 HG3 LYS A 75 6.847 4.168 3.067 1.00 0.00 H new ATOM 0 HD2 LYS A 75 8.001 3.534 5.194 1.00 0.00 H new ATOM 0 HD3 LYS A 75 8.370 1.957 4.525 1.00 0.00 H new ATOM 0 HE2 LYS A 75 9.689 3.034 2.695 1.00 0.00 H new ATOM 0 HE3 LYS A 75 9.306 4.617 3.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 11.469 3.817 4.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 10.423 4.048 5.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 10.742 2.479 4.819 1.00 0.00 H new ATOM 1160 N LYS A 76 2.512 2.453 4.428 1.00 0.00 N ATOM 1161 CA LYS A 76 1.379 1.760 5.064 1.00 0.00 C ATOM 1162 C LYS A 76 0.391 1.142 4.064 1.00 0.00 C ATOM 1163 O LYS A 76 -0.117 0.048 4.310 1.00 0.00 O ATOM 1164 CB LYS A 76 0.631 2.731 5.990 1.00 0.00 C ATOM 1165 CG LYS A 76 1.494 3.216 7.162 1.00 0.00 C ATOM 1166 CD LYS A 76 0.709 4.157 8.078 1.00 0.00 C ATOM 1167 CE LYS A 76 1.574 4.638 9.246 1.00 0.00 C ATOM 1168 NZ LYS A 76 0.802 5.538 10.117 1.00 0.00 N ATOM 0 H LYS A 76 2.591 3.441 4.667 1.00 0.00 H new ATOM 0 HA LYS A 76 1.805 0.933 5.631 1.00 0.00 H new ATOM 0 HB2 LYS A 76 0.295 3.591 5.412 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -0.261 2.240 6.380 1.00 0.00 H new ATOM 0 HG2 LYS A 76 1.848 2.359 7.735 1.00 0.00 H new ATOM 0 HG3 LYS A 76 2.376 3.730 6.779 1.00 0.00 H new ATOM 0 HD2 LYS A 76 0.355 5.015 7.506 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -0.173 3.644 8.462 1.00 0.00 H new ATOM 0 HE2 LYS A 76 1.930 3.783 9.820 1.00 0.00 H new ATOM 0 HE3 LYS A 76 2.455 5.156 8.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 1.401 5.857 10.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 0.483 6.362 9.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -0.025 5.032 10.493 1.00 0.00 H new ATOM 1182 N LEU A 77 0.135 1.792 2.926 1.00 0.00 N ATOM 1183 CA LEU A 77 -0.834 1.219 1.963 1.00 0.00 C ATOM 1184 C LEU A 77 -0.205 0.047 1.176 1.00 0.00 C ATOM 1185 O LEU A 77 -0.898 -0.921 0.857 1.00 0.00 O ATOM 1186 CB LEU A 77 -1.435 2.237 0.969 1.00 0.00 C ATOM 1187 CG LEU A 77 -2.451 3.219 1.568 1.00 0.00 C ATOM 1188 CD1 LEU A 77 -1.860 4.122 2.653 1.00 0.00 C ATOM 1189 CD2 LEU A 77 -3.081 4.107 0.490 1.00 0.00 C ATOM 0 H LEU A 77 0.559 2.677 2.648 1.00 0.00 H new ATOM 0 HA LEU A 77 -1.660 0.866 2.581 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -0.621 2.809 0.524 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -1.918 1.688 0.161 1.00 0.00 H new ATOM 0 HG LEU A 77 -3.211 2.587 2.027 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -2.634 4.790 3.032 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.479 3.508 3.469 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.046 4.712 2.232 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -3.795 4.789 0.952 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.301 4.682 -0.010 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.596 3.483 -0.240 1.00 0.00 H new ATOM 1201 N ILE A 78 1.110 0.064 0.946 1.00 0.00 N ATOM 1202 CA ILE A 78 1.816 -1.114 0.441 1.00 0.00 C ATOM 1203 C ILE A 78 1.690 -2.304 1.432 1.00 0.00 C ATOM 1204 O ILE A 78 1.492 -3.441 1.000 1.00 0.00 O ATOM 1205 CB ILE A 78 3.270 -0.654 0.192 1.00 0.00 C ATOM 1206 CG1 ILE A 78 3.429 0.464 -0.843 1.00 0.00 C ATOM 1207 CG2 ILE A 78 4.133 -1.847 -0.182 1.00 0.00 C ATOM 1208 CD1 ILE A 78 4.843 1.053 -0.893 1.00 0.00 C ATOM 0 H ILE A 78 1.705 0.878 1.101 1.00 0.00 H new ATOM 0 HA ILE A 78 1.390 -1.494 -0.487 1.00 0.00 H new ATOM 0 HB ILE A 78 3.603 -0.217 1.133 1.00 0.00 H new ATOM 0 HG12 ILE A 78 3.170 0.076 -1.828 1.00 0.00 H new ATOM 0 HG13 ILE A 78 2.720 1.260 -0.618 1.00 0.00 H new ATOM 0 HG21 ILE A 78 5.157 -1.515 -0.356 1.00 0.00 H new ATOM 0 HG22 ILE A 78 4.120 -2.574 0.630 1.00 0.00 H new ATOM 0 HG23 ILE A 78 3.742 -2.309 -1.089 1.00 0.00 H new ATOM 0 HD11 ILE A 78 4.883 1.839 -1.647 1.00 0.00 H new ATOM 0 HD12 ILE A 78 5.098 1.471 0.081 1.00 0.00 H new ATOM 0 HD13 ILE A 78 5.555 0.268 -1.148 1.00 0.00 H new ATOM 1220 N SER A 79 1.776 -2.071 2.751 1.00 0.00 N ATOM 1221 CA SER A 79 1.601 -3.167 3.724 1.00 0.00 C ATOM 1222 C SER A 79 0.151 -3.675 3.836 1.00 0.00 C ATOM 1223 O SER A 79 -0.067 -4.860 4.089 1.00 0.00 O ATOM 1224 CB SER A 79 2.092 -2.694 5.097 1.00 0.00 C ATOM 1225 OG SER A 79 3.466 -2.335 5.033 1.00 0.00 O ATOM 0 H SER A 79 1.961 -1.157 3.164 1.00 0.00 H new ATOM 0 HA SER A 79 2.189 -4.011 3.362 1.00 0.00 H new ATOM 0 HB2 SER A 79 1.501 -1.840 5.428 1.00 0.00 H new ATOM 0 HB3 SER A 79 1.950 -3.485 5.834 1.00 0.00 H new ATOM 0 HG SER A 79 3.767 -2.033 5.916 1.00 0.00 H new ATOM 1231 N VAL A 80 -0.840 -2.806 3.623 1.00 0.00 N ATOM 1232 CA VAL A 80 -2.246 -3.249 3.521 1.00 0.00 C ATOM 1233 C VAL A 80 -2.423 -4.240 2.360 1.00 0.00 C ATOM 1234 O VAL A 80 -3.075 -5.274 2.504 1.00 0.00 O ATOM 1235 CB VAL A 80 -3.179 -2.031 3.309 1.00 0.00 C ATOM 1236 CG1 VAL A 80 -4.638 -2.451 3.076 1.00 0.00 C ATOM 1237 CG2 VAL A 80 -3.174 -1.106 4.531 1.00 0.00 C ATOM 0 H VAL A 80 -0.705 -1.800 3.518 1.00 0.00 H new ATOM 0 HA VAL A 80 -2.511 -3.748 4.453 1.00 0.00 H new ATOM 0 HB VAL A 80 -2.792 -1.518 2.429 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -5.254 -1.563 2.933 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -4.698 -3.081 2.189 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -4.999 -3.007 3.941 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -3.838 -0.261 4.350 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -3.518 -1.657 5.406 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -2.162 -0.741 4.707 1.00 0.00 H new ATOM 1247 N LEU A 81 -1.854 -3.911 1.205 1.00 0.00 N ATOM 1248 CA LEU A 81 -2.024 -4.751 0.013 1.00 0.00 C ATOM 1249 C LEU A 81 -1.280 -6.095 0.119 1.00 0.00 C ATOM 1250 O LEU A 81 -1.810 -7.124 -0.301 1.00 0.00 O ATOM 1251 CB LEU A 81 -1.562 -3.904 -1.181 1.00 0.00 C ATOM 1252 CG LEU A 81 -2.591 -2.875 -1.705 1.00 0.00 C ATOM 1253 CD1 LEU A 81 -3.583 -2.340 -0.665 1.00 0.00 C ATOM 1254 CD2 LEU A 81 -1.852 -1.667 -2.275 1.00 0.00 C ATOM 0 H LEU A 81 -1.278 -3.081 1.064 1.00 0.00 H new ATOM 0 HA LEU A 81 -3.068 -5.042 -0.106 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -0.654 -3.372 -0.897 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -1.296 -4.574 -1.998 1.00 0.00 H new ATOM 0 HG LEU A 81 -3.171 -3.423 -2.448 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -4.258 -1.627 -1.139 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -4.161 -3.168 -0.254 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -3.037 -1.845 0.138 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -2.575 -0.940 -2.645 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -1.245 -1.210 -1.494 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -1.208 -1.988 -3.094 1.00 0.00 H new ATOM 1266 N ALA A 82 -0.089 -6.116 0.719 1.00 0.00 N ATOM 1267 CA ALA A 82 0.559 -7.388 1.082 1.00 0.00 C ATOM 1268 C ALA A 82 -0.208 -8.203 2.138 1.00 0.00 C ATOM 1269 O ALA A 82 -0.086 -9.428 2.185 1.00 0.00 O ATOM 1270 CB ALA A 82 1.970 -7.044 1.568 1.00 0.00 C ATOM 0 H ALA A 82 0.445 -5.282 0.963 1.00 0.00 H new ATOM 0 HA ALA A 82 0.579 -8.035 0.205 1.00 0.00 H new ATOM 0 HB1 ALA A 82 2.491 -7.959 1.849 1.00 0.00 H new ATOM 0 HB2 ALA A 82 2.518 -6.545 0.769 1.00 0.00 H new ATOM 0 HB3 ALA A 82 1.906 -6.383 2.432 1.00 0.00 H new ATOM 1276 N ASP A 83 -0.950 -7.539 3.025 1.00 0.00 N ATOM 1277 CA ASP A 83 -1.641 -8.260 4.114 1.00 0.00 C ATOM 1278 C ASP A 83 -2.883 -9.069 3.691 1.00 0.00 C ATOM 1279 O ASP A 83 -3.415 -9.862 4.469 1.00 0.00 O ATOM 1280 CB ASP A 83 -1.958 -7.251 5.230 1.00 0.00 C ATOM 1281 CG ASP A 83 -2.422 -7.907 6.525 1.00 0.00 C ATOM 1282 OD1 ASP A 83 -1.627 -8.646 7.147 1.00 0.00 O ATOM 1283 OD2 ASP A 83 -3.583 -7.684 6.932 1.00 0.00 O ATOM 0 H ASP A 83 -1.091 -6.529 3.020 1.00 0.00 H new ATOM 0 HA ASP A 83 -0.961 -9.034 4.471 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -1.069 -6.653 5.432 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -2.731 -6.566 4.881 1.00 0.00 H new ATOM 1288 N SER A 84 -3.331 -8.890 2.459 1.00 0.00 N ATOM 1289 CA SER A 84 -4.416 -9.712 1.907 1.00 0.00 C ATOM 1290 C SER A 84 -3.983 -11.174 1.691 1.00 0.00 C ATOM 1291 O SER A 84 -4.675 -12.101 2.109 1.00 0.00 O ATOM 1292 CB SER A 84 -4.835 -9.066 0.586 1.00 0.00 C ATOM 1293 OG SER A 84 -5.407 -7.785 0.817 1.00 0.00 O ATOM 0 H SER A 84 -2.966 -8.186 1.817 1.00 0.00 H new ATOM 0 HA SER A 84 -5.249 -9.749 2.609 1.00 0.00 H new ATOM 0 HB2 SER A 84 -3.970 -8.971 -0.070 1.00 0.00 H new ATOM 0 HB3 SER A 84 -5.554 -9.705 0.074 1.00 0.00 H new ATOM 0 HG SER A 84 -5.668 -7.384 -0.038 1.00 0.00 H new ATOM 1299 N LEU A 85 -2.851 -11.381 1.022 1.00 0.00 N ATOM 1300 CA LEU A 85 -2.420 -12.740 0.651 1.00 0.00 C ATOM 1301 C LEU A 85 -1.375 -13.223 1.679 1.00 0.00 C ATOM 1302 O LEU A 85 -1.502 -13.010 2.885 1.00 0.00 O ATOM 1303 CB LEU A 85 -1.896 -12.654 -0.800 1.00 0.00 C ATOM 1304 CG LEU A 85 -2.115 -13.888 -1.697 1.00 0.00 C ATOM 1305 CD1 LEU A 85 -1.435 -15.182 -1.248 1.00 0.00 C ATOM 1306 CD2 LEU A 85 -3.601 -14.141 -1.934 1.00 0.00 C ATOM 0 H LEU A 85 -2.217 -10.639 0.725 1.00 0.00 H new ATOM 0 HA LEU A 85 -3.222 -13.477 0.674 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -2.369 -11.798 -1.281 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -0.826 -12.448 -0.762 1.00 0.00 H new ATOM 0 HG LEU A 85 -1.615 -13.615 -2.627 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -1.662 -15.978 -1.958 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -0.356 -15.031 -1.206 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -1.801 -15.462 -0.260 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -3.724 -15.018 -2.570 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -4.098 -14.313 -0.979 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -4.044 -13.273 -2.422 1.00 0.00 H new ATOM 1318 N LYS A 86 -0.367 -13.923 1.180 1.00 0.00 N ATOM 1319 CA LYS A 86 0.612 -14.642 2.004 1.00 0.00 C ATOM 1320 C LYS A 86 1.958 -14.146 1.405 1.00 0.00 C ATOM 1321 O LYS A 86 2.040 -12.964 1.060 1.00 0.00 O ATOM 1322 CB LYS A 86 0.216 -16.136 2.019 1.00 0.00 C ATOM 1323 CG LYS A 86 -1.221 -16.436 2.479 1.00 0.00 C ATOM 1324 CD LYS A 86 -1.448 -16.129 3.964 1.00 0.00 C ATOM 1325 CE LYS A 86 -2.900 -16.399 4.368 1.00 0.00 C ATOM 1326 NZ LYS A 86 -3.095 -16.102 5.795 1.00 0.00 N ATOM 0 H LYS A 86 -0.198 -14.013 0.178 1.00 0.00 H new ATOM 0 HA LYS A 86 0.678 -14.461 3.077 1.00 0.00 H new ATOM 0 HB2 LYS A 86 0.349 -16.539 1.015 1.00 0.00 H new ATOM 0 HB3 LYS A 86 0.907 -16.670 2.671 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -1.919 -15.849 1.881 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -1.445 -17.486 2.292 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -0.779 -16.739 4.571 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -1.199 -15.087 4.165 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -3.572 -15.787 3.767 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -3.153 -17.440 4.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -4.084 -16.289 6.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -2.466 -16.704 6.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -2.873 -15.102 5.975 1.00 0.00 H new ATOM 1340 N PRO A 87 3.023 -14.924 1.197 1.00 0.00 N ATOM 1341 CA PRO A 87 4.186 -14.447 0.439 1.00 0.00 C ATOM 1342 C PRO A 87 3.917 -14.241 -1.063 1.00 0.00 C ATOM 1343 O PRO A 87 4.254 -13.181 -1.584 1.00 0.00 O ATOM 1344 CB PRO A 87 5.244 -15.512 0.754 1.00 0.00 C ATOM 1345 CG PRO A 87 4.447 -16.768 1.109 1.00 0.00 C ATOM 1346 CD PRO A 87 3.188 -16.238 1.795 1.00 0.00 C ATOM 0 HA PRO A 87 4.500 -13.444 0.727 1.00 0.00 H new ATOM 0 HB2 PRO A 87 5.895 -15.687 -0.102 1.00 0.00 H new ATOM 0 HB3 PRO A 87 5.882 -15.202 1.582 1.00 0.00 H new ATOM 0 HG2 PRO A 87 4.201 -17.347 0.219 1.00 0.00 H new ATOM 0 HG3 PRO A 87 5.013 -17.424 1.770 1.00 0.00 H new ATOM 0 HD2 PRO A 87 2.326 -16.878 1.608 1.00 0.00 H new ATOM 0 HD3 PRO A 87 3.312 -16.177 2.876 1.00 0.00 H new ATOM 1354 N ASN A 88 3.342 -15.209 -1.782 1.00 0.00 N ATOM 1355 CA ASN A 88 3.297 -15.117 -3.266 1.00 0.00 C ATOM 1356 C ASN A 88 2.192 -14.188 -3.812 1.00 0.00 C ATOM 1357 O ASN A 88 1.441 -14.543 -4.723 1.00 0.00 O ATOM 1358 CB ASN A 88 3.165 -16.520 -3.904 1.00 0.00 C ATOM 1359 CG ASN A 88 4.215 -17.518 -3.414 1.00 0.00 C ATOM 1360 OD1 ASN A 88 3.944 -18.381 -2.580 1.00 0.00 O ATOM 1361 ND2 ASN A 88 5.427 -17.411 -3.928 1.00 0.00 N ATOM 0 H ASN A 88 2.911 -16.045 -1.388 1.00 0.00 H new ATOM 0 HA ASN A 88 4.247 -14.665 -3.551 1.00 0.00 H new ATOM 0 HB2 ASN A 88 2.172 -16.915 -3.689 1.00 0.00 H new ATOM 0 HB3 ASN A 88 3.243 -16.426 -4.987 1.00 0.00 H new ATOM 0 HD21 ASN A 88 6.164 -18.053 -3.635 1.00 0.00 H new ATOM 0 HD22 ASN A 88 5.626 -16.687 -4.618 1.00 0.00 H new ATOM 1368 N GLY A 89 2.160 -12.951 -3.328 1.00 0.00 N ATOM 1369 CA GLY A 89 1.445 -11.874 -4.021 1.00 0.00 C ATOM 1370 C GLY A 89 2.391 -11.128 -4.962 1.00 0.00 C ATOM 1371 O GLY A 89 3.610 -11.282 -4.889 1.00 0.00 O ATOM 0 H GLY A 89 2.617 -12.665 -2.462 1.00 0.00 H new ATOM 0 HA2 GLY A 89 0.610 -12.288 -4.587 1.00 0.00 H new ATOM 0 HA3 GLY A 89 1.024 -11.181 -3.293 1.00 0.00 H new ATOM 1375 N SER A 90 1.839 -10.341 -5.881 1.00 0.00 N ATOM 1376 CA SER A 90 2.678 -9.687 -6.881 1.00 0.00 C ATOM 1377 C SER A 90 1.989 -8.346 -7.165 1.00 0.00 C ATOM 1378 O SER A 90 0.807 -8.107 -6.911 1.00 0.00 O ATOM 1379 CB SER A 90 2.783 -10.567 -8.125 1.00 0.00 C ATOM 1380 OG SER A 90 3.571 -9.939 -9.124 1.00 0.00 O ATOM 0 H SER A 90 0.841 -10.144 -5.955 1.00 0.00 H new ATOM 0 HA SER A 90 3.702 -9.526 -6.544 1.00 0.00 H new ATOM 0 HB2 SER A 90 3.223 -11.528 -7.859 1.00 0.00 H new ATOM 0 HB3 SER A 90 1.786 -10.770 -8.517 1.00 0.00 H new ATOM 0 HG SER A 90 3.626 -10.521 -9.911 1.00 0.00 H new ATOM 1386 N LEU A 91 2.808 -7.470 -7.691 1.00 0.00 N ATOM 1387 CA LEU A 91 2.531 -6.040 -7.706 1.00 0.00 C ATOM 1388 C LEU A 91 2.719 -5.618 -9.164 1.00 0.00 C ATOM 1389 O LEU A 91 3.794 -5.879 -9.700 1.00 0.00 O ATOM 1390 CB LEU A 91 3.681 -5.564 -6.789 1.00 0.00 C ATOM 1391 CG LEU A 91 3.645 -4.236 -6.048 1.00 0.00 C ATOM 1392 CD1 LEU A 91 4.223 -3.087 -6.861 1.00 0.00 C ATOM 1393 CD2 LEU A 91 2.308 -3.858 -5.415 1.00 0.00 C ATOM 0 H LEU A 91 3.695 -7.723 -8.126 1.00 0.00 H new ATOM 0 HA LEU A 91 1.557 -5.673 -7.383 1.00 0.00 H new ATOM 0 HB2 LEU A 91 3.817 -6.338 -6.034 1.00 0.00 H new ATOM 0 HB3 LEU A 91 4.583 -5.554 -7.401 1.00 0.00 H new ATOM 0 HG LEU A 91 4.305 -4.417 -5.200 1.00 0.00 H new ATOM 0 HD11 LEU A 91 4.169 -2.167 -6.279 1.00 0.00 H new ATOM 0 HD12 LEU A 91 5.263 -3.302 -7.106 1.00 0.00 H new ATOM 0 HD13 LEU A 91 3.651 -2.968 -7.781 1.00 0.00 H new ATOM 0 HD21 LEU A 91 2.402 -2.894 -4.915 1.00 0.00 H new ATOM 0 HD22 LEU A 91 1.544 -3.792 -6.190 1.00 0.00 H new ATOM 0 HD23 LEU A 91 2.022 -4.618 -4.687 1.00 0.00 H new ATOM 1405 N ILE A 92 1.787 -4.910 -9.799 1.00 0.00 N ATOM 1406 CA ILE A 92 2.071 -4.337 -11.126 1.00 0.00 C ATOM 1407 C ILE A 92 1.960 -2.834 -11.026 1.00 0.00 C ATOM 1408 O ILE A 92 0.891 -2.247 -11.204 1.00 0.00 O ATOM 1409 CB ILE A 92 1.141 -4.884 -12.204 1.00 0.00 C ATOM 1410 CG1 ILE A 92 1.246 -6.410 -12.331 1.00 0.00 C ATOM 1411 CG2 ILE A 92 1.438 -4.232 -13.566 1.00 0.00 C ATOM 1412 CD1 ILE A 92 2.695 -6.826 -12.551 1.00 0.00 C ATOM 0 H ILE A 92 0.853 -4.719 -9.435 1.00 0.00 H new ATOM 0 HA ILE A 92 3.080 -4.622 -11.426 1.00 0.00 H new ATOM 0 HB ILE A 92 0.124 -4.637 -11.899 1.00 0.00 H new ATOM 0 HG12 ILE A 92 0.858 -6.884 -11.429 1.00 0.00 H new ATOM 0 HG13 ILE A 92 0.632 -6.755 -13.162 1.00 0.00 H new ATOM 0 HG21 ILE A 92 0.762 -4.638 -14.319 1.00 0.00 H new ATOM 0 HG22 ILE A 92 1.294 -3.154 -13.493 1.00 0.00 H new ATOM 0 HG23 ILE A 92 2.469 -4.442 -13.853 1.00 0.00 H new ATOM 0 HD11 ILE A 92 2.753 -7.911 -12.639 1.00 0.00 H new ATOM 0 HD12 ILE A 92 3.070 -6.367 -13.466 1.00 0.00 H new ATOM 0 HD13 ILE A 92 3.300 -6.498 -11.706 1.00 0.00 H new ATOM 1424 N GLY A 93 3.063 -2.247 -10.604 1.00 0.00 N ATOM 1425 CA GLY A 93 2.942 -0.885 -10.092 1.00 0.00 C ATOM 1426 C GLY A 93 4.043 0.141 -10.341 1.00 0.00 C ATOM 1427 O GLY A 93 3.943 0.948 -11.264 1.00 0.00 O ATOM 0 H GLY A 93 3.999 -2.653 -10.600 1.00 0.00 H new ATOM 0 HA2 GLY A 93 2.019 -0.470 -10.498 1.00 0.00 H new ATOM 0 HA3 GLY A 93 2.810 -0.959 -9.012 1.00 0.00 H new ATOM 1431 N LEU A 94 5.041 0.204 -9.463 1.00 0.00 N ATOM 1432 CA LEU A 94 5.608 1.523 -9.134 1.00 0.00 C ATOM 1433 C LEU A 94 7.084 1.590 -9.598 1.00 0.00 C ATOM 1434 O LEU A 94 7.663 0.610 -10.070 1.00 0.00 O ATOM 1435 CB LEU A 94 5.557 1.772 -7.605 1.00 0.00 C ATOM 1436 CG LEU A 94 4.331 1.484 -6.741 1.00 0.00 C ATOM 1437 CD1 LEU A 94 3.024 1.681 -7.438 1.00 0.00 C ATOM 1438 CD2 LEU A 94 4.386 0.154 -6.026 1.00 0.00 C ATOM 0 H LEU A 94 5.461 -0.593 -8.985 1.00 0.00 H new ATOM 0 HA LEU A 94 5.019 2.285 -9.644 1.00 0.00 H new ATOM 0 HB2 LEU A 94 6.377 1.198 -7.174 1.00 0.00 H new ATOM 0 HB3 LEU A 94 5.794 2.826 -7.458 1.00 0.00 H new ATOM 0 HG LEU A 94 4.380 2.255 -5.972 1.00 0.00 H new ATOM 0 HD11 LEU A 94 2.208 1.455 -6.752 1.00 0.00 H new ATOM 0 HD12 LEU A 94 2.942 2.716 -7.771 1.00 0.00 H new ATOM 0 HD13 LEU A 94 2.968 1.017 -8.300 1.00 0.00 H new ATOM 0 HD21 LEU A 94 3.481 0.022 -5.433 1.00 0.00 H new ATOM 0 HD22 LEU A 94 4.461 -0.650 -6.758 1.00 0.00 H new ATOM 0 HD23 LEU A 94 5.256 0.129 -5.370 1.00 0.00 H new ATOM 1450 N SER A 95 7.658 2.793 -9.556 1.00 0.00 N ATOM 1451 CA SER A 95 8.856 3.103 -10.373 1.00 0.00 C ATOM 1452 C SER A 95 10.148 3.239 -9.526 1.00 0.00 C ATOM 1453 O SER A 95 10.320 2.510 -8.546 1.00 0.00 O ATOM 1454 CB SER A 95 8.541 4.289 -11.312 1.00 0.00 C ATOM 1455 OG SER A 95 7.477 3.938 -12.185 1.00 0.00 O ATOM 0 H SER A 95 7.327 3.565 -8.978 1.00 0.00 H new ATOM 0 HA SER A 95 9.091 2.254 -11.016 1.00 0.00 H new ATOM 0 HB2 SER A 95 8.269 5.167 -10.726 1.00 0.00 H new ATOM 0 HB3 SER A 95 9.427 4.553 -11.890 1.00 0.00 H new ATOM 0 HG SER A 95 7.278 4.692 -12.778 1.00 0.00 H new ATOM 1461 N ASP A 96 11.104 4.084 -9.931 1.00 0.00 N ATOM 1462 CA ASP A 96 12.481 4.004 -9.399 1.00 0.00 C ATOM 1463 C ASP A 96 12.673 4.291 -7.903 1.00 0.00 C ATOM 1464 O ASP A 96 13.388 3.540 -7.241 1.00 0.00 O ATOM 1465 CB ASP A 96 13.385 4.950 -10.202 1.00 0.00 C ATOM 1466 CG ASP A 96 13.513 4.553 -11.668 1.00 0.00 C ATOM 1467 OD1 ASP A 96 14.300 3.632 -11.978 1.00 0.00 O ATOM 1468 OD2 ASP A 96 12.826 5.161 -12.519 1.00 0.00 O ATOM 0 H ASP A 96 10.958 4.825 -10.617 1.00 0.00 H new ATOM 0 HA ASP A 96 12.748 2.953 -9.511 1.00 0.00 H new ATOM 0 HB2 ASP A 96 12.988 5.963 -10.139 1.00 0.00 H new ATOM 0 HB3 ASP A 96 14.376 4.968 -9.749 1.00 0.00 H new ATOM 1473 N ILE A 97 12.064 5.338 -7.339 1.00 0.00 N ATOM 1474 CA ILE A 97 12.104 5.504 -5.856 1.00 0.00 C ATOM 1475 C ILE A 97 11.481 4.280 -5.149 1.00 0.00 C ATOM 1476 O ILE A 97 11.842 3.840 -4.042 1.00 0.00 O ATOM 1477 CB ILE A 97 11.353 6.775 -5.384 1.00 0.00 C ATOM 1478 CG1 ILE A 97 11.516 7.937 -6.374 1.00 0.00 C ATOM 1479 CG2 ILE A 97 11.839 7.161 -3.981 1.00 0.00 C ATOM 1480 CD1 ILE A 97 10.847 9.241 -5.927 1.00 0.00 C ATOM 0 H ILE A 97 11.555 6.062 -7.846 1.00 0.00 H new ATOM 0 HA ILE A 97 13.157 5.600 -5.590 1.00 0.00 H new ATOM 0 HB ILE A 97 10.287 6.554 -5.343 1.00 0.00 H new ATOM 0 HG12 ILE A 97 12.579 8.122 -6.529 1.00 0.00 H new ATOM 0 HG13 ILE A 97 11.101 7.640 -7.337 1.00 0.00 H new ATOM 0 HG21 ILE A 97 11.312 8.055 -3.647 1.00 0.00 H new ATOM 0 HG22 ILE A 97 11.640 6.343 -3.289 1.00 0.00 H new ATOM 0 HG23 ILE A 97 12.910 7.360 -4.009 1.00 0.00 H new ATOM 0 HD11 ILE A 97 11.009 10.010 -6.682 1.00 0.00 H new ATOM 0 HD12 ILE A 97 9.777 9.076 -5.801 1.00 0.00 H new ATOM 0 HD13 ILE A 97 11.278 9.565 -4.980 1.00 0.00 H new ATOM 1492 N TYR A 98 10.514 3.699 -5.843 1.00 0.00 N ATOM 1493 CA TYR A 98 9.766 2.614 -5.252 1.00 0.00 C ATOM 1494 C TYR A 98 10.577 1.292 -5.262 1.00 0.00 C ATOM 1495 O TYR A 98 10.137 0.288 -4.712 1.00 0.00 O ATOM 1496 CB TYR A 98 8.406 2.509 -5.914 1.00 0.00 C ATOM 1497 CG TYR A 98 7.648 3.828 -5.835 1.00 0.00 C ATOM 1498 CD1 TYR A 98 6.968 4.143 -4.698 1.00 0.00 C ATOM 1499 CD2 TYR A 98 7.712 4.727 -6.855 1.00 0.00 C ATOM 1500 CE1 TYR A 98 6.304 5.323 -4.611 1.00 0.00 C ATOM 1501 CE2 TYR A 98 7.034 5.900 -6.773 1.00 0.00 C ATOM 1502 CZ TYR A 98 6.324 6.192 -5.653 1.00 0.00 C ATOM 1503 OH TYR A 98 5.651 7.376 -5.555 1.00 0.00 O ATOM 0 H TYR A 98 10.238 3.956 -6.791 1.00 0.00 H new ATOM 0 HA TYR A 98 9.588 2.825 -4.197 1.00 0.00 H new ATOM 0 HB2 TYR A 98 8.529 2.220 -6.958 1.00 0.00 H new ATOM 0 HB3 TYR A 98 7.824 1.723 -5.432 1.00 0.00 H new ATOM 0 HD1 TYR A 98 6.957 3.454 -3.866 1.00 0.00 H new ATOM 0 HD2 TYR A 98 8.303 4.507 -7.731 1.00 0.00 H new ATOM 0 HE1 TYR A 98 5.759 5.571 -3.712 1.00 0.00 H new ATOM 0 HE2 TYR A 98 7.059 6.599 -7.596 1.00 0.00 H new ATOM 0 HH TYR A 98 6.279 8.120 -5.669 1.00 0.00 H new ATOM 1513 N LYS A 99 11.786 1.293 -5.843 1.00 0.00 N ATOM 1514 CA LYS A 99 12.712 0.154 -5.728 1.00 0.00 C ATOM 1515 C LYS A 99 13.222 -0.026 -4.292 1.00 0.00 C ATOM 1516 O LYS A 99 13.157 -1.127 -3.742 1.00 0.00 O ATOM 1517 CB LYS A 99 13.866 0.381 -6.717 1.00 0.00 C ATOM 1518 CG LYS A 99 14.819 -0.815 -6.800 1.00 0.00 C ATOM 1519 CD LYS A 99 15.985 -0.526 -7.748 1.00 0.00 C ATOM 1520 CE LYS A 99 16.930 -1.726 -7.842 1.00 0.00 C ATOM 1521 NZ LYS A 99 18.041 -1.426 -8.759 1.00 0.00 N ATOM 0 H LYS A 99 12.146 2.070 -6.398 1.00 0.00 H new ATOM 0 HA LYS A 99 12.190 -0.770 -5.974 1.00 0.00 H new ATOM 0 HB2 LYS A 99 13.456 0.583 -7.707 1.00 0.00 H new ATOM 0 HB3 LYS A 99 14.427 1.267 -6.417 1.00 0.00 H new ATOM 0 HG2 LYS A 99 15.203 -1.048 -5.807 1.00 0.00 H new ATOM 0 HG3 LYS A 99 14.275 -1.694 -7.145 1.00 0.00 H new ATOM 0 HD2 LYS A 99 15.601 -0.284 -8.739 1.00 0.00 H new ATOM 0 HD3 LYS A 99 16.535 0.347 -7.397 1.00 0.00 H new ATOM 0 HE2 LYS A 99 17.320 -1.970 -6.854 1.00 0.00 H new ATOM 0 HE3 LYS A 99 16.384 -2.601 -8.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 18.676 -2.248 -8.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 17.663 -1.215 -9.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 18.570 -0.603 -8.406 1.00 0.00 H new ATOM 1535 N VAL A 100 13.695 1.051 -3.667 1.00 0.00 N ATOM 1536 CA VAL A 100 13.997 1.011 -2.223 1.00 0.00 C ATOM 1537 C VAL A 100 12.722 0.731 -1.398 1.00 0.00 C ATOM 1538 O VAL A 100 12.778 0.034 -0.381 1.00 0.00 O ATOM 1539 CB VAL A 100 14.671 2.331 -1.791 1.00 0.00 C ATOM 1540 CG1 VAL A 100 15.031 2.319 -0.299 1.00 0.00 C ATOM 1541 CG2 VAL A 100 15.959 2.594 -2.585 1.00 0.00 C ATOM 0 H VAL A 100 13.877 1.947 -4.119 1.00 0.00 H new ATOM 0 HA VAL A 100 14.691 0.192 -2.031 1.00 0.00 H new ATOM 0 HB VAL A 100 13.945 3.119 -1.991 1.00 0.00 H new ATOM 0 HG11 VAL A 100 15.503 3.264 -0.031 1.00 0.00 H new ATOM 0 HG12 VAL A 100 14.125 2.185 0.293 1.00 0.00 H new ATOM 0 HG13 VAL A 100 15.720 1.499 -0.098 1.00 0.00 H new ATOM 0 HG21 VAL A 100 16.406 3.532 -2.254 1.00 0.00 H new ATOM 0 HG22 VAL A 100 16.662 1.778 -2.418 1.00 0.00 H new ATOM 0 HG23 VAL A 100 15.725 2.659 -3.647 1.00 0.00 H new ATOM 1551 N ASP A 101 11.567 1.234 -1.843 1.00 0.00 N ATOM 1552 CA ASP A 101 10.297 0.864 -1.194 1.00 0.00 C ATOM 1553 C ASP A 101 10.006 -0.645 -1.272 1.00 0.00 C ATOM 1554 O ASP A 101 9.660 -1.258 -0.265 1.00 0.00 O ATOM 1555 CB ASP A 101 9.162 1.618 -1.893 1.00 0.00 C ATOM 1556 CG ASP A 101 8.539 2.719 -1.046 1.00 0.00 C ATOM 1557 OD1 ASP A 101 7.712 2.407 -0.162 1.00 0.00 O ATOM 1558 OD2 ASP A 101 8.870 3.906 -1.263 1.00 0.00 O ATOM 0 H ASP A 101 11.479 1.881 -2.627 1.00 0.00 H new ATOM 0 HA ASP A 101 10.373 1.128 -0.139 1.00 0.00 H new ATOM 0 HB2 ASP A 101 9.544 2.055 -2.816 1.00 0.00 H new ATOM 0 HB3 ASP A 101 8.386 0.906 -2.175 1.00 0.00 H new ATOM 1563 N ALA A 102 10.142 -1.244 -2.455 1.00 0.00 N ATOM 1564 CA ALA A 102 9.954 -2.692 -2.613 1.00 0.00 C ATOM 1565 C ALA A 102 10.915 -3.495 -1.728 1.00 0.00 C ATOM 1566 O ALA A 102 10.528 -4.500 -1.136 1.00 0.00 O ATOM 1567 CB ALA A 102 10.238 -2.991 -4.081 1.00 0.00 C ATOM 0 H ALA A 102 10.381 -0.754 -3.317 1.00 0.00 H new ATOM 0 HA ALA A 102 8.945 -2.977 -2.315 1.00 0.00 H new ATOM 0 HB1 ALA A 102 10.115 -4.058 -4.265 1.00 0.00 H new ATOM 0 HB2 ALA A 102 9.543 -2.432 -4.707 1.00 0.00 H new ATOM 0 HB3 ALA A 102 11.260 -2.697 -4.321 1.00 0.00 H new ATOM 1573 N LEU A 103 12.164 -3.043 -1.607 1.00 0.00 N ATOM 1574 CA LEU A 103 13.135 -3.719 -0.730 1.00 0.00 C ATOM 1575 C LEU A 103 12.669 -3.775 0.731 1.00 0.00 C ATOM 1576 O LEU A 103 12.728 -4.815 1.388 1.00 0.00 O ATOM 1577 CB LEU A 103 14.465 -2.942 -0.788 1.00 0.00 C ATOM 1578 CG LEU A 103 15.690 -3.776 -0.383 1.00 0.00 C ATOM 1579 CD1 LEU A 103 16.001 -4.865 -1.416 1.00 0.00 C ATOM 1580 CD2 LEU A 103 16.907 -2.859 -0.236 1.00 0.00 C ATOM 0 H LEU A 103 12.528 -2.225 -2.095 1.00 0.00 H new ATOM 0 HA LEU A 103 13.246 -4.744 -1.083 1.00 0.00 H new ATOM 0 HB2 LEU A 103 14.612 -2.567 -1.801 1.00 0.00 H new ATOM 0 HB3 LEU A 103 14.396 -2.073 -0.133 1.00 0.00 H new ATOM 0 HG LEU A 103 15.464 -4.262 0.566 1.00 0.00 H new ATOM 0 HD11 LEU A 103 16.874 -5.433 -1.094 1.00 0.00 H new ATOM 0 HD12 LEU A 103 15.146 -5.534 -1.508 1.00 0.00 H new ATOM 0 HD13 LEU A 103 16.205 -4.403 -2.382 1.00 0.00 H new ATOM 0 HD21 LEU A 103 17.776 -3.451 0.051 1.00 0.00 H new ATOM 0 HD22 LEU A 103 17.105 -2.362 -1.186 1.00 0.00 H new ATOM 0 HD23 LEU A 103 16.708 -2.111 0.531 1.00 0.00 H new ATOM 1592 N ILE A 104 12.262 -2.617 1.236 1.00 0.00 N ATOM 1593 CA ILE A 104 12.033 -2.455 2.680 1.00 0.00 C ATOM 1594 C ILE A 104 10.682 -3.008 3.148 1.00 0.00 C ATOM 1595 O ILE A 104 10.566 -3.583 4.232 1.00 0.00 O ATOM 1596 CB ILE A 104 12.277 -0.965 2.956 1.00 0.00 C ATOM 1597 CG1 ILE A 104 12.815 -0.765 4.382 1.00 0.00 C ATOM 1598 CG2 ILE A 104 11.053 -0.074 2.694 1.00 0.00 C ATOM 1599 CD1 ILE A 104 13.358 0.644 4.623 1.00 0.00 C ATOM 0 H ILE A 104 12.083 -1.780 0.681 1.00 0.00 H new ATOM 0 HA ILE A 104 12.716 -3.058 3.279 1.00 0.00 H new ATOM 0 HB ILE A 104 13.030 -0.641 2.238 1.00 0.00 H new ATOM 0 HG12 ILE A 104 12.018 -0.969 5.097 1.00 0.00 H new ATOM 0 HG13 ILE A 104 13.606 -1.491 4.571 1.00 0.00 H new ATOM 0 HG21 ILE A 104 11.305 0.964 2.912 1.00 0.00 H new ATOM 0 HG22 ILE A 104 10.755 -0.163 1.649 1.00 0.00 H new ATOM 0 HG23 ILE A 104 10.229 -0.389 3.335 1.00 0.00 H new ATOM 0 HD11 ILE A 104 13.723 0.723 5.647 1.00 0.00 H new ATOM 0 HD12 ILE A 104 14.176 0.842 3.930 1.00 0.00 H new ATOM 0 HD13 ILE A 104 12.563 1.372 4.464 1.00 0.00 H new ATOM 1611 N ASN A 105 9.674 -2.891 2.292 1.00 0.00 N ATOM 1612 CA ASN A 105 8.372 -3.497 2.530 1.00 0.00 C ATOM 1613 C ASN A 105 8.372 -5.024 2.389 1.00 0.00 C ATOM 1614 O ASN A 105 7.434 -5.665 2.866 1.00 0.00 O ATOM 1615 CB ASN A 105 7.486 -2.838 1.462 1.00 0.00 C ATOM 1616 CG ASN A 105 6.807 -1.566 1.973 1.00 0.00 C ATOM 1617 OD1 ASN A 105 5.817 -1.614 2.700 1.00 0.00 O ATOM 1618 ND2 ASN A 105 7.327 -0.412 1.595 1.00 0.00 N ATOM 0 H ASN A 105 9.737 -2.374 1.415 1.00 0.00 H new ATOM 0 HA ASN A 105 8.030 -3.335 3.552 1.00 0.00 H new ATOM 0 HB2 ASN A 105 8.092 -2.598 0.589 1.00 0.00 H new ATOM 0 HB3 ASN A 105 6.725 -3.547 1.136 1.00 0.00 H new ATOM 0 HD21 ASN A 105 6.907 0.463 1.907 1.00 0.00 H new ATOM 0 HD22 ASN A 105 8.149 -0.396 0.991 1.00 0.00 H new ATOM 1625 N GLY A 106 9.383 -5.631 1.762 1.00 0.00 N ATOM 1626 CA GLY A 106 9.406 -7.100 1.688 1.00 0.00 C ATOM 1627 C GLY A 106 9.000 -7.623 0.309 1.00 0.00 C ATOM 1628 O GLY A 106 8.498 -8.739 0.182 1.00 0.00 O ATOM 0 H GLY A 106 10.167 -5.156 1.315 1.00 0.00 H new ATOM 0 HA2 GLY A 106 10.407 -7.457 1.928 1.00 0.00 H new ATOM 0 HA3 GLY A 106 8.733 -7.509 2.441 1.00 0.00 H new ATOM 1632 N PHE A 107 9.263 -6.832 -0.721 1.00 0.00 N ATOM 1633 CA PHE A 107 9.021 -7.277 -2.098 1.00 0.00 C ATOM 1634 C PHE A 107 10.383 -7.556 -2.719 1.00 0.00 C ATOM 1635 O PHE A 107 11.413 -7.020 -2.299 1.00 0.00 O ATOM 1636 CB PHE A 107 8.273 -6.228 -2.936 1.00 0.00 C ATOM 1637 CG PHE A 107 6.836 -6.018 -2.482 1.00 0.00 C ATOM 1638 CD1 PHE A 107 6.550 -5.200 -1.435 1.00 0.00 C ATOM 1639 CD2 PHE A 107 5.827 -6.686 -3.112 1.00 0.00 C ATOM 1640 CE1 PHE A 107 5.264 -5.049 -1.019 1.00 0.00 C ATOM 1641 CE2 PHE A 107 4.542 -6.523 -2.704 1.00 0.00 C ATOM 1642 CZ PHE A 107 4.260 -5.704 -1.659 1.00 0.00 C ATOM 0 H PHE A 107 9.640 -5.888 -0.638 1.00 0.00 H new ATOM 0 HA PHE A 107 8.388 -8.164 -2.082 1.00 0.00 H new ATOM 0 HB2 PHE A 107 8.807 -5.280 -2.882 1.00 0.00 H new ATOM 0 HB3 PHE A 107 8.276 -6.537 -3.981 1.00 0.00 H new ATOM 0 HD1 PHE A 107 7.345 -4.669 -0.933 1.00 0.00 H new ATOM 0 HD2 PHE A 107 6.051 -7.346 -3.937 1.00 0.00 H new ATOM 0 HE1 PHE A 107 5.040 -4.408 -0.179 1.00 0.00 H new ATOM 0 HE2 PHE A 107 3.744 -7.045 -3.211 1.00 0.00 H new ATOM 0 HZ PHE A 107 3.238 -5.573 -1.336 1.00 0.00 H new ATOM 1652 N GLU A 108 10.381 -8.346 -3.783 1.00 0.00 N ATOM 1653 CA GLU A 108 11.556 -8.361 -4.651 1.00 0.00 C ATOM 1654 C GLU A 108 11.080 -7.946 -6.034 1.00 0.00 C ATOM 1655 O GLU A 108 9.940 -8.163 -6.440 1.00 0.00 O ATOM 1656 CB GLU A 108 12.194 -9.759 -4.693 1.00 0.00 C ATOM 1657 CG GLU A 108 12.755 -10.181 -3.332 1.00 0.00 C ATOM 1658 CD GLU A 108 13.575 -11.462 -3.424 1.00 0.00 C ATOM 1659 OE1 GLU A 108 13.108 -12.441 -4.048 1.00 0.00 O ATOM 1660 OE2 GLU A 108 14.695 -11.499 -2.869 1.00 0.00 O ATOM 0 H GLU A 108 9.616 -8.961 -4.061 1.00 0.00 H new ATOM 0 HA GLU A 108 12.320 -7.679 -4.278 1.00 0.00 H new ATOM 0 HB2 GLU A 108 11.450 -10.486 -5.019 1.00 0.00 H new ATOM 0 HB3 GLU A 108 12.994 -9.769 -5.433 1.00 0.00 H new ATOM 0 HG2 GLU A 108 13.377 -9.380 -2.933 1.00 0.00 H new ATOM 0 HG3 GLU A 108 11.933 -10.326 -2.631 1.00 0.00 H new ATOM 1667 N ILE A 109 12.023 -7.395 -6.769 1.00 0.00 N ATOM 1668 CA ILE A 109 11.692 -6.700 -8.012 1.00 0.00 C ATOM 1669 C ILE A 109 12.230 -7.469 -9.216 1.00 0.00 C ATOM 1670 O ILE A 109 13.218 -8.203 -9.170 1.00 0.00 O ATOM 1671 CB ILE A 109 12.273 -5.270 -7.824 1.00 0.00 C ATOM 1672 CG1 ILE A 109 11.204 -4.191 -7.674 1.00 0.00 C ATOM 1673 CG2 ILE A 109 13.216 -4.810 -8.924 1.00 0.00 C ATOM 1674 CD1 ILE A 109 11.755 -2.849 -7.208 1.00 0.00 C ATOM 0 H ILE A 109 13.016 -7.410 -6.538 1.00 0.00 H new ATOM 0 HA ILE A 109 10.623 -6.633 -8.217 1.00 0.00 H new ATOM 0 HB ILE A 109 12.836 -5.382 -6.898 1.00 0.00 H new ATOM 0 HG12 ILE A 109 10.700 -4.055 -8.631 1.00 0.00 H new ATOM 0 HG13 ILE A 109 10.452 -4.533 -6.963 1.00 0.00 H new ATOM 0 HG21 ILE A 109 13.568 -3.802 -8.704 1.00 0.00 H new ATOM 0 HG22 ILE A 109 14.068 -5.488 -8.980 1.00 0.00 H new ATOM 0 HG23 ILE A 109 12.689 -4.810 -9.878 1.00 0.00 H new ATOM 0 HD11 ILE A 109 10.940 -2.130 -7.124 1.00 0.00 H new ATOM 0 HD12 ILE A 109 12.234 -2.970 -6.236 1.00 0.00 H new ATOM 0 HD13 ILE A 109 12.486 -2.485 -7.930 1.00 0.00 H new ATOM 1686 N ILE A 110 11.517 -7.256 -10.308 1.00 0.00 N ATOM 1687 CA ILE A 110 11.888 -7.878 -11.586 1.00 0.00 C ATOM 1688 C ILE A 110 11.349 -6.993 -12.705 1.00 0.00 C ATOM 1689 O ILE A 110 10.144 -6.743 -12.816 1.00 0.00 O ATOM 1690 CB ILE A 110 11.412 -9.342 -11.684 1.00 0.00 C ATOM 1691 CG1 ILE A 110 11.657 -9.954 -13.070 1.00 0.00 C ATOM 1692 CG2 ILE A 110 9.928 -9.518 -11.325 1.00 0.00 C ATOM 1693 CD1 ILE A 110 13.143 -10.067 -13.423 1.00 0.00 C ATOM 0 H ILE A 110 10.686 -6.666 -10.346 1.00 0.00 H new ATOM 0 HA ILE A 110 12.973 -7.943 -11.672 1.00 0.00 H new ATOM 0 HB ILE A 110 12.016 -9.872 -10.948 1.00 0.00 H new ATOM 0 HG12 ILE A 110 11.204 -10.945 -13.108 1.00 0.00 H new ATOM 0 HG13 ILE A 110 11.156 -9.345 -13.823 1.00 0.00 H new ATOM 0 HG21 ILE A 110 9.655 -10.569 -11.413 1.00 0.00 H new ATOM 0 HG22 ILE A 110 9.759 -9.184 -10.301 1.00 0.00 H new ATOM 0 HG23 ILE A 110 9.316 -8.926 -12.006 1.00 0.00 H new ATOM 0 HD11 ILE A 110 13.249 -10.507 -14.415 1.00 0.00 H new ATOM 0 HD12 ILE A 110 13.595 -9.075 -13.416 1.00 0.00 H new ATOM 0 HD13 ILE A 110 13.644 -10.699 -12.690 1.00 0.00 H new ATOM 1705 N ASN A 111 12.287 -6.536 -13.527 1.00 0.00 N ATOM 1706 CA ASN A 111 11.950 -5.608 -14.612 1.00 0.00 C ATOM 1707 C ASN A 111 12.027 -6.323 -15.961 1.00 0.00 C ATOM 1708 O ASN A 111 13.079 -6.530 -16.566 1.00 0.00 O ATOM 1709 CB ASN A 111 12.782 -4.335 -14.555 1.00 0.00 C ATOM 1710 CG ASN A 111 12.439 -3.307 -15.634 1.00 0.00 C ATOM 1711 OD1 ASN A 111 13.205 -3.284 -16.709 1.00 0.00 O flip ATOM 1712 ND2 ASN A 111 11.499 -2.524 -15.504 1.00 0.00 N flip ATOM 0 H ASN A 111 13.274 -6.785 -13.469 1.00 0.00 H new ATOM 0 HA ASN A 111 10.919 -5.279 -14.481 1.00 0.00 H new ATOM 0 HB2 ASN A 111 12.651 -3.874 -13.576 1.00 0.00 H new ATOM 0 HB3 ASN A 111 13.836 -4.600 -14.644 1.00 0.00 H new ATOM 0 HD21 ASN A 111 10.919 -2.558 -14.666 1.00 0.00 H new ATOM 0 HD22 ASN A 111 11.300 -1.841 -16.235 1.00 0.00 H new ATOM 1719 N GLU A 112 10.834 -6.675 -16.395 1.00 0.00 N ATOM 1720 CA GLU A 112 10.606 -7.182 -17.757 1.00 0.00 C ATOM 1721 C GLU A 112 9.541 -6.266 -18.399 1.00 0.00 C ATOM 1722 O GLU A 112 9.091 -5.317 -17.751 1.00 0.00 O ATOM 1723 CB GLU A 112 10.127 -8.639 -17.635 1.00 0.00 C ATOM 1724 CG GLU A 112 11.233 -9.581 -17.145 1.00 0.00 C ATOM 1725 CD GLU A 112 10.723 -11.013 -17.026 1.00 0.00 C ATOM 1726 OE1 GLU A 112 10.809 -11.768 -18.018 1.00 0.00 O ATOM 1727 OE2 GLU A 112 10.236 -11.391 -15.938 1.00 0.00 O ATOM 0 H GLU A 112 9.990 -6.623 -15.825 1.00 0.00 H new ATOM 0 HA GLU A 112 11.500 -7.172 -18.380 1.00 0.00 H new ATOM 0 HB2 GLU A 112 9.284 -8.684 -16.946 1.00 0.00 H new ATOM 0 HB3 GLU A 112 9.765 -8.982 -18.604 1.00 0.00 H new ATOM 0 HG2 GLU A 112 12.075 -9.548 -17.836 1.00 0.00 H new ATOM 0 HG3 GLU A 112 11.601 -9.241 -16.177 1.00 0.00 H new ATOM 1734 N PRO A 113 9.082 -6.486 -19.644 1.00 0.00 N ATOM 1735 CA PRO A 113 8.121 -5.560 -20.274 1.00 0.00 C ATOM 1736 C PRO A 113 6.788 -5.255 -19.561 1.00 0.00 C ATOM 1737 O PRO A 113 6.095 -4.299 -19.909 1.00 0.00 O ATOM 1738 CB PRO A 113 7.942 -6.175 -21.658 1.00 0.00 C ATOM 1739 CG PRO A 113 9.312 -6.776 -21.962 1.00 0.00 C ATOM 1740 CD PRO A 113 9.806 -7.319 -20.619 1.00 0.00 C ATOM 0 HA PRO A 113 8.523 -4.547 -20.252 1.00 0.00 H new ATOM 0 HB2 PRO A 113 7.161 -6.935 -21.661 1.00 0.00 H new ATOM 0 HB3 PRO A 113 7.660 -5.425 -22.397 1.00 0.00 H new ATOM 0 HG2 PRO A 113 9.240 -7.568 -22.707 1.00 0.00 H new ATOM 0 HG3 PRO A 113 9.994 -6.025 -22.360 1.00 0.00 H new ATOM 0 HD2 PRO A 113 9.572 -8.377 -20.500 1.00 0.00 H new ATOM 0 HD3 PRO A 113 10.886 -7.218 -20.514 1.00 0.00 H new ATOM 1748 N ASP A 114 6.481 -6.011 -18.521 1.00 0.00 N ATOM 1749 CA ASP A 114 5.532 -5.563 -17.496 1.00 0.00 C ATOM 1750 C ASP A 114 6.315 -5.541 -16.174 1.00 0.00 C ATOM 1751 O ASP A 114 6.752 -6.582 -15.683 1.00 0.00 O ATOM 1752 CB ASP A 114 4.315 -6.499 -17.450 1.00 0.00 C ATOM 1753 CG ASP A 114 4.632 -7.982 -17.239 1.00 0.00 C ATOM 1754 OD1 ASP A 114 4.952 -8.677 -18.229 1.00 0.00 O ATOM 1755 OD2 ASP A 114 4.556 -8.455 -16.085 1.00 0.00 O ATOM 0 H ASP A 114 6.871 -6.939 -18.357 1.00 0.00 H new ATOM 0 HA ASP A 114 5.131 -4.572 -17.707 1.00 0.00 H new ATOM 0 HB2 ASP A 114 3.655 -6.169 -16.648 1.00 0.00 H new ATOM 0 HB3 ASP A 114 3.761 -6.393 -18.383 1.00 0.00 H new ATOM 1760 N TYR A 115 6.561 -4.351 -15.627 1.00 0.00 N ATOM 1761 CA TYR A 115 7.516 -4.234 -14.514 1.00 0.00 C ATOM 1762 C TYR A 115 6.797 -4.290 -13.171 1.00 0.00 C ATOM 1763 O TYR A 115 5.918 -3.461 -12.910 1.00 0.00 O ATOM 1764 CB TYR A 115 8.343 -2.949 -14.641 1.00 0.00 C ATOM 1765 CG TYR A 115 9.207 -2.614 -13.424 1.00 0.00 C ATOM 1766 CD1 TYR A 115 9.835 -3.573 -12.685 1.00 0.00 C ATOM 1767 CD2 TYR A 115 9.301 -1.315 -13.040 1.00 0.00 C ATOM 1768 CE1 TYR A 115 10.576 -3.228 -11.600 1.00 0.00 C ATOM 1769 CE2 TYR A 115 10.043 -0.965 -11.957 1.00 0.00 C ATOM 1770 CZ TYR A 115 10.690 -1.921 -11.242 1.00 0.00 C ATOM 1771 OH TYR A 115 11.428 -1.571 -10.144 1.00 0.00 O ATOM 0 H TYR A 115 6.129 -3.475 -15.922 1.00 0.00 H new ATOM 0 HA TYR A 115 8.199 -5.082 -14.563 1.00 0.00 H new ATOM 0 HB2 TYR A 115 8.990 -3.036 -15.514 1.00 0.00 H new ATOM 0 HB3 TYR A 115 7.666 -2.116 -14.827 1.00 0.00 H new ATOM 0 HD1 TYR A 115 9.743 -4.612 -12.964 1.00 0.00 H new ATOM 0 HD2 TYR A 115 8.781 -0.553 -13.601 1.00 0.00 H new ATOM 0 HE1 TYR A 115 11.075 -3.992 -11.022 1.00 0.00 H new ATOM 0 HE2 TYR A 115 10.118 0.072 -11.665 1.00 0.00 H new ATOM 0 HH TYR A 115 11.406 -0.598 -10.031 1.00 0.00 H new ATOM 1781 N CYS A 116 7.078 -5.340 -12.385 1.00 0.00 N ATOM 1782 CA CYS A 116 6.570 -5.401 -11.008 1.00 0.00 C ATOM 1783 C CYS A 116 7.504 -6.115 -10.020 1.00 0.00 C ATOM 1784 O CYS A 116 8.710 -6.284 -10.203 1.00 0.00 O ATOM 1785 CB CYS A 116 5.195 -6.089 -11.027 1.00 0.00 C ATOM 1786 SG CYS A 116 5.316 -7.897 -11.173 1.00 0.00 S ATOM 0 H CYS A 116 7.641 -6.141 -12.671 1.00 0.00 H new ATOM 0 HA CYS A 116 6.500 -4.375 -10.647 1.00 0.00 H new ATOM 0 HB2 CYS A 116 4.655 -5.838 -10.114 1.00 0.00 H new ATOM 0 HB3 CYS A 116 4.610 -5.700 -11.860 1.00 0.00 H new ATOM 0 HG CYS A 116 4.557 -8.456 -10.278 1.00 0.00 H new ATOM 1792 N TRP A 117 6.846 -6.445 -8.909 1.00 0.00 N ATOM 1793 CA TRP A 117 7.480 -6.857 -7.656 1.00 0.00 C ATOM 1794 C TRP A 117 6.662 -8.038 -7.125 1.00 0.00 C ATOM 1795 O TRP A 117 5.444 -7.921 -7.003 1.00 0.00 O ATOM 1796 CB TRP A 117 7.375 -5.774 -6.573 1.00 0.00 C ATOM 1797 CG TRP A 117 7.717 -4.358 -6.954 1.00 0.00 C ATOM 1798 CD1 TRP A 117 8.336 -3.895 -8.105 1.00 0.00 C ATOM 1799 CD2 TRP A 117 7.476 -3.257 -6.197 1.00 0.00 C ATOM 1800 NE1 TRP A 117 8.468 -2.512 -8.099 1.00 0.00 N ATOM 1801 CE2 TRP A 117 7.948 -2.155 -6.867 1.00 0.00 C ATOM 1802 CE3 TRP A 117 6.892 -3.153 -4.977 1.00 0.00 C ATOM 1803 CZ2 TRP A 117 7.985 -0.951 -6.242 1.00 0.00 C ATOM 1804 CZ3 TRP A 117 6.777 -1.919 -4.436 1.00 0.00 C ATOM 1805 CH2 TRP A 117 7.426 -0.859 -4.997 1.00 0.00 C ATOM 0 H TRP A 117 5.828 -6.433 -8.854 1.00 0.00 H new ATOM 0 HA TRP A 117 8.529 -7.076 -7.855 1.00 0.00 H new ATOM 0 HB2 TRP A 117 6.354 -5.780 -6.193 1.00 0.00 H new ATOM 0 HB3 TRP A 117 8.024 -6.064 -5.747 1.00 0.00 H new ATOM 0 HD1 TRP A 117 8.674 -4.532 -8.909 1.00 0.00 H new ATOM 0 HE1 TRP A 117 8.854 -1.908 -8.825 1.00 0.00 H new ATOM 0 HE3 TRP A 117 6.531 -4.027 -4.455 1.00 0.00 H new ATOM 0 HZ2 TRP A 117 8.441 -0.093 -6.713 1.00 0.00 H new ATOM 0 HZ3 TRP A 117 6.169 -1.772 -3.556 1.00 0.00 H new ATOM 0 HH2 TRP A 117 7.500 0.069 -4.449 1.00 0.00 H new ATOM 1816 N ILE A 118 7.271 -9.148 -6.751 1.00 0.00 N ATOM 1817 CA ILE A 118 6.537 -10.153 -5.961 1.00 0.00 C ATOM 1818 C ILE A 118 7.234 -10.322 -4.599 1.00 0.00 C ATOM 1819 O ILE A 118 8.458 -10.307 -4.473 1.00 0.00 O ATOM 1820 CB ILE A 118 6.296 -11.450 -6.761 1.00 0.00 C ATOM 1821 CG1 ILE A 118 6.055 -12.705 -5.906 1.00 0.00 C ATOM 1822 CG2 ILE A 118 7.397 -11.794 -7.748 1.00 0.00 C ATOM 1823 CD1 ILE A 118 4.942 -13.544 -6.524 1.00 0.00 C ATOM 0 H ILE A 118 8.240 -9.384 -6.966 1.00 0.00 H new ATOM 0 HA ILE A 118 5.525 -9.811 -5.745 1.00 0.00 H new ATOM 0 HB ILE A 118 5.382 -11.195 -7.297 1.00 0.00 H new ATOM 0 HG12 ILE A 118 6.971 -13.292 -5.839 1.00 0.00 H new ATOM 0 HG13 ILE A 118 5.785 -12.418 -4.890 1.00 0.00 H new ATOM 0 HG21 ILE A 118 7.145 -12.720 -8.266 1.00 0.00 H new ATOM 0 HG22 ILE A 118 7.499 -10.988 -8.475 1.00 0.00 H new ATOM 0 HG23 ILE A 118 8.338 -11.922 -7.213 1.00 0.00 H new ATOM 0 HD11 ILE A 118 4.775 -14.432 -5.915 1.00 0.00 H new ATOM 0 HD12 ILE A 118 4.025 -12.956 -6.568 1.00 0.00 H new ATOM 0 HD13 ILE A 118 5.229 -13.844 -7.532 1.00 0.00 H new ATOM 1835 N LYS A 119 6.404 -10.554 -3.590 1.00 0.00 N ATOM 1836 CA LYS A 119 6.868 -10.728 -2.206 1.00 0.00 C ATOM 1837 C LYS A 119 7.404 -12.153 -2.014 1.00 0.00 C ATOM 1838 O LYS A 119 6.669 -13.140 -2.028 1.00 0.00 O ATOM 1839 CB LYS A 119 5.677 -10.399 -1.290 1.00 0.00 C ATOM 1840 CG LYS A 119 5.895 -10.745 0.186 1.00 0.00 C ATOM 1841 CD LYS A 119 4.670 -10.363 1.021 1.00 0.00 C ATOM 1842 CE LYS A 119 4.870 -10.728 2.494 1.00 0.00 C ATOM 1843 NZ LYS A 119 3.673 -10.374 3.272 1.00 0.00 N ATOM 0 H LYS A 119 5.393 -10.628 -3.700 1.00 0.00 H new ATOM 0 HA LYS A 119 7.695 -10.062 -1.959 1.00 0.00 H new ATOM 0 HB2 LYS A 119 5.456 -9.335 -1.372 1.00 0.00 H new ATOM 0 HB3 LYS A 119 4.799 -10.936 -1.650 1.00 0.00 H new ATOM 0 HG2 LYS A 119 6.092 -11.812 0.289 1.00 0.00 H new ATOM 0 HG3 LYS A 119 6.774 -10.221 0.561 1.00 0.00 H new ATOM 0 HD2 LYS A 119 4.484 -9.293 0.931 1.00 0.00 H new ATOM 0 HD3 LYS A 119 3.788 -10.874 0.633 1.00 0.00 H new ATOM 0 HE2 LYS A 119 5.071 -11.795 2.588 1.00 0.00 H new ATOM 0 HE3 LYS A 119 5.739 -10.204 2.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 3.821 -10.626 4.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 3.499 -9.352 3.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 2.852 -10.894 2.901 1.00 0.00 H new ATOM 1857 N MET A 120 8.715 -12.256 -1.840 1.00 0.00 N ATOM 1858 CA MET A 120 9.312 -13.540 -1.438 1.00 0.00 C ATOM 1859 C MET A 120 9.749 -13.432 0.025 1.00 0.00 C ATOM 1860 O MET A 120 10.721 -12.751 0.356 1.00 0.00 O ATOM 1861 CB MET A 120 10.494 -13.897 -2.351 1.00 0.00 C ATOM 1862 CG MET A 120 10.042 -14.169 -3.789 1.00 0.00 C ATOM 1863 SD MET A 120 11.452 -14.700 -4.778 1.00 0.00 S ATOM 1864 CE MET A 120 10.642 -14.862 -6.379 1.00 0.00 C ATOM 0 H MET A 120 9.378 -11.491 -1.965 1.00 0.00 H new ATOM 0 HA MET A 120 8.579 -14.341 -1.537 1.00 0.00 H new ATOM 0 HB2 MET A 120 11.217 -13.081 -2.346 1.00 0.00 H new ATOM 0 HB3 MET A 120 11.004 -14.777 -1.958 1.00 0.00 H new ATOM 0 HG2 MET A 120 9.269 -14.937 -3.798 1.00 0.00 H new ATOM 0 HG3 MET A 120 9.602 -13.269 -4.219 1.00 0.00 H new ATOM 0 HE1 MET A 120 11.369 -15.186 -7.123 1.00 0.00 H new ATOM 0 HE2 MET A 120 9.841 -15.598 -6.309 1.00 0.00 H new ATOM 0 HE3 MET A 120 10.225 -13.899 -6.675 1.00 0.00 H new TER 1874 MET A 120