USER MOD reduce.3.24.130724 H: found=0, std=0, add=607, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 608 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 47:sc= 0.211 USER MOD Single : A 15 THR OG1 : rot 176:sc= -1.39! USER MOD Single : A 16 HIS :FLIP no HD1:sc= -1.08 F(o=-1.6,f=-1.1) USER MOD Single : A 17 LYS NZ :NH3+ -135:sc= -0.573 (180deg=-2.59!) USER MOD Single : A 18 CYS SG : rot -94:sc= 0.953 USER MOD Single : A 28 ASN : amide:sc= -0.121 K(o=-0.12,f=-1.7!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -0.187 K(o=-0.19,f=-1.8!) USER MOD Single : A 34 GLN : amide:sc= -0.0343 K(o=-0.034,f=-1.4) USER MOD Single : A 35 GLN : amide:sc= -2.03! C(o=-2!,f=-7.3!) USER MOD Single : A 36 THR OG1 : rot -67:sc= 1.15 USER MOD Single : A 43 SER OG : rot 72:sc= -3.74! USER MOD Single : A 45 GLN : amide:sc= -0.622 K(o=-0.62,f=-5.2!) USER MOD Single : A 49 ASN : amide:sc= -0.0126 K(o=-0.013,f=-1.1) USER MOD Single : A 53 ASN :FLIP amide:sc= 0.301 F(o=-0.29,f=0.3) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0.0284 USER MOD Single : A 64 GLN : amide:sc= -0.765 X(o=-0.76,f=-0.43) USER MOD Single : A 65 GLN :FLIP amide:sc= -0.0641 F(o=-1.4,f=-0.064) USER MOD Single : A 68 HIS : no HD1:sc= -0.0332 X(o=-0.033,f=0) USER MOD Single : A 70 LYS NZ :NH3+ -160:sc= 2.25 (180deg=1.38) USER MOD Single : A 71 GLN : amide:sc= 1.12 K(o=1.1,f=-0.72) USER MOD Single : A 76 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0166) USER MOD Single : A 82 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 8 N GLU A 8 -1.909 -6.667 -10.100 1.00 0.00 N ATOM 9 CA GLU A 8 -1.494 -5.835 -8.983 1.00 0.00 C ATOM 10 C GLU A 8 -2.589 -4.834 -8.631 1.00 0.00 C ATOM 11 O GLU A 8 -3.260 -4.308 -9.520 1.00 0.00 O ATOM 12 CB GLU A 8 -0.215 -5.083 -9.349 1.00 0.00 C ATOM 13 CG GLU A 8 0.864 -5.972 -9.947 1.00 0.00 C ATOM 14 CD GLU A 8 2.034 -5.181 -10.491 1.00 0.00 C ATOM 15 OE1 GLU A 8 1.826 -4.387 -11.436 1.00 0.00 O ATOM 16 OE2 GLU A 8 3.161 -5.342 -9.981 1.00 0.00 O ATOM 0 HA GLU A 8 -1.309 -6.475 -8.120 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -0.459 -4.293 -10.060 1.00 0.00 H new ATOM 0 HB3 GLU A 8 0.179 -4.598 -8.456 1.00 0.00 H new ATOM 0 HG2 GLU A 8 1.221 -6.665 -9.186 1.00 0.00 H new ATOM 0 HG3 GLU A 8 0.432 -6.573 -10.748 1.00 0.00 H new ATOM 23 N MET A 9 -2.778 -4.586 -7.347 1.00 0.00 N ATOM 24 CA MET A 9 -3.739 -3.587 -6.903 1.00 0.00 C ATOM 25 C MET A 9 -3.011 -2.445 -6.215 1.00 0.00 C ATOM 26 O MET A 9 -2.291 -2.655 -5.239 1.00 0.00 O ATOM 27 CB MET A 9 -4.775 -4.202 -5.957 1.00 0.00 C ATOM 28 CG MET A 9 -5.644 -5.263 -6.611 1.00 0.00 C ATOM 29 SD MET A 9 -6.887 -5.933 -5.490 1.00 0.00 S ATOM 30 CE MET A 9 -7.695 -7.109 -6.572 1.00 0.00 C ATOM 0 H MET A 9 -2.281 -5.061 -6.593 1.00 0.00 H new ATOM 0 HA MET A 9 -4.267 -3.204 -7.776 1.00 0.00 H new ATOM 0 HB2 MET A 9 -4.259 -4.643 -5.104 1.00 0.00 H new ATOM 0 HB3 MET A 9 -5.415 -3.410 -5.568 1.00 0.00 H new ATOM 0 HG2 MET A 9 -6.140 -4.834 -7.482 1.00 0.00 H new ATOM 0 HG3 MET A 9 -5.011 -6.074 -6.971 1.00 0.00 H new ATOM 0 HE1 MET A 9 -8.495 -7.613 -6.029 1.00 0.00 H new ATOM 0 HE2 MET A 9 -8.114 -6.585 -7.431 1.00 0.00 H new ATOM 0 HE3 MET A 9 -6.969 -7.846 -6.915 1.00 0.00 H new ATOM 40 N THR A 10 -3.182 -1.247 -6.738 1.00 0.00 N ATOM 41 CA THR A 10 -2.500 -0.079 -6.212 1.00 0.00 C ATOM 42 C THR A 10 -3.436 0.731 -5.319 1.00 0.00 C ATOM 43 O THR A 10 -4.616 0.888 -5.627 1.00 0.00 O ATOM 44 CB THR A 10 -1.994 0.815 -7.358 1.00 0.00 C ATOM 45 OG1 THR A 10 -1.687 0.009 -8.507 1.00 0.00 O ATOM 46 CG2 THR A 10 -0.752 1.580 -6.936 1.00 0.00 C ATOM 0 H THR A 10 -3.792 -1.055 -7.533 1.00 0.00 H new ATOM 0 HA THR A 10 -1.650 -0.425 -5.624 1.00 0.00 H new ATOM 0 HB THR A 10 -2.780 1.528 -7.607 1.00 0.00 H new ATOM 0 HG1 THR A 10 -1.367 0.584 -9.234 1.00 0.00 H new ATOM 0 HG21 THR A 10 -0.412 2.205 -7.761 1.00 0.00 H new ATOM 0 HG22 THR A 10 -0.986 2.209 -6.077 1.00 0.00 H new ATOM 0 HG23 THR A 10 0.035 0.876 -6.666 1.00 0.00 H new ATOM 54 N PHE A 11 -2.911 1.239 -4.214 1.00 0.00 N ATOM 55 CA PHE A 11 -3.706 2.015 -3.276 1.00 0.00 C ATOM 56 C PHE A 11 -3.020 3.342 -2.980 1.00 0.00 C ATOM 57 O PHE A 11 -1.800 3.452 -3.078 1.00 0.00 O ATOM 58 CB PHE A 11 -3.927 1.221 -1.984 1.00 0.00 C ATOM 59 CG PHE A 11 -4.679 -0.061 -2.203 1.00 0.00 C ATOM 60 CD1 PHE A 11 -6.059 -0.058 -2.299 1.00 0.00 C ATOM 61 CD2 PHE A 11 -4.002 -1.265 -2.325 1.00 0.00 C ATOM 62 CE1 PHE A 11 -6.752 -1.232 -2.516 1.00 0.00 C ATOM 63 CE2 PHE A 11 -4.690 -2.441 -2.539 1.00 0.00 C ATOM 64 CZ PHE A 11 -6.066 -2.426 -2.636 1.00 0.00 C ATOM 0 H PHE A 11 -1.934 1.127 -3.945 1.00 0.00 H new ATOM 0 HA PHE A 11 -4.678 2.221 -3.723 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -2.961 0.996 -1.533 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -4.475 1.840 -1.273 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -6.600 0.872 -2.203 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -2.925 -1.282 -2.252 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -7.829 -1.218 -2.592 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -4.152 -3.373 -2.631 1.00 0.00 H new ATOM 0 HZ PHE A 11 -6.606 -3.346 -2.805 1.00 0.00 H new ATOM 74 N SER A 12 -3.805 4.347 -2.641 1.00 0.00 N ATOM 75 CA SER A 12 -3.282 5.683 -2.409 1.00 0.00 C ATOM 76 C SER A 12 -2.684 5.819 -1.007 1.00 0.00 C ATOM 77 O SER A 12 -3.402 5.738 -0.006 1.00 0.00 O ATOM 78 CB SER A 12 -4.401 6.700 -2.618 1.00 0.00 C ATOM 79 OG SER A 12 -5.552 6.346 -1.867 1.00 0.00 O ATOM 0 H SER A 12 -4.814 4.264 -2.519 1.00 0.00 H new ATOM 0 HA SER A 12 -2.477 5.871 -3.119 1.00 0.00 H new ATOM 0 HB2 SER A 12 -4.058 7.691 -2.320 1.00 0.00 H new ATOM 0 HB3 SER A 12 -4.655 6.755 -3.677 1.00 0.00 H new ATOM 0 HG SER A 12 -5.286 6.107 -0.954 1.00 0.00 H new ATOM 85 N ILE A 13 -1.372 6.019 -0.941 1.00 0.00 N ATOM 86 CA ILE A 13 -0.689 6.206 0.330 1.00 0.00 C ATOM 87 C ILE A 13 -0.107 7.615 0.440 1.00 0.00 C ATOM 88 O ILE A 13 0.844 7.973 -0.254 1.00 0.00 O ATOM 89 CB ILE A 13 0.423 5.149 0.538 1.00 0.00 C ATOM 90 CG1 ILE A 13 -0.188 3.806 0.956 1.00 0.00 C ATOM 91 CG2 ILE A 13 1.428 5.620 1.579 1.00 0.00 C ATOM 92 CD1 ILE A 13 -0.803 3.826 2.342 1.00 0.00 C ATOM 0 H ILE A 13 -0.760 6.055 -1.757 1.00 0.00 H new ATOM 0 HA ILE A 13 -1.432 6.076 1.117 1.00 0.00 H new ATOM 0 HB ILE A 13 0.948 5.015 -0.408 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -0.952 3.523 0.232 1.00 0.00 H new ATOM 0 HG13 ILE A 13 0.585 3.038 0.921 1.00 0.00 H new ATOM 0 HG21 ILE A 13 2.200 4.862 1.709 1.00 0.00 H new ATOM 0 HG22 ILE A 13 1.887 6.551 1.247 1.00 0.00 H new ATOM 0 HG23 ILE A 13 0.918 5.785 2.528 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -1.216 2.844 2.571 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -0.038 4.078 3.076 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -1.598 4.571 2.376 1.00 0.00 H new ATOM 104 N PRO A 14 -0.711 8.445 1.296 1.00 0.00 N ATOM 105 CA PRO A 14 -0.212 9.789 1.602 1.00 0.00 C ATOM 106 C PRO A 14 1.261 9.796 1.990 1.00 0.00 C ATOM 107 O PRO A 14 1.695 9.025 2.850 1.00 0.00 O ATOM 108 CB PRO A 14 -1.073 10.190 2.791 1.00 0.00 C ATOM 109 CG PRO A 14 -2.359 9.508 2.528 1.00 0.00 C ATOM 110 CD PRO A 14 -1.957 8.155 2.022 1.00 0.00 C ATOM 0 HA PRO A 14 -0.275 10.460 0.746 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -0.632 9.866 3.734 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -1.196 11.271 2.851 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -2.963 9.432 3.432 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -2.954 10.049 1.792 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -1.797 7.448 2.836 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -2.716 7.724 1.369 1.00 0.00 H new ATOM 118 N THR A 15 2.007 10.692 1.360 1.00 0.00 N ATOM 119 CA THR A 15 3.444 10.803 1.551 1.00 0.00 C ATOM 120 C THR A 15 3.804 11.094 3.010 1.00 0.00 C ATOM 121 O THR A 15 4.866 10.704 3.485 1.00 0.00 O ATOM 122 CB THR A 15 4.009 11.917 0.649 1.00 0.00 C ATOM 123 OG1 THR A 15 3.496 11.762 -0.679 1.00 0.00 O ATOM 124 CG2 THR A 15 5.528 11.885 0.608 1.00 0.00 C ATOM 0 H THR A 15 1.628 11.368 0.697 1.00 0.00 H new ATOM 0 HA THR A 15 3.887 9.844 1.280 1.00 0.00 H new ATOM 0 HB THR A 15 3.700 12.876 1.064 1.00 0.00 H new ATOM 0 HG1 THR A 15 3.797 12.510 -1.235 1.00 0.00 H new ATOM 0 HG21 THR A 15 5.891 12.685 -0.038 1.00 0.00 H new ATOM 0 HG22 THR A 15 5.922 12.024 1.615 1.00 0.00 H new ATOM 0 HG23 THR A 15 5.861 10.924 0.217 1.00 0.00 H new ATOM 132 N HIS A 16 2.913 11.774 3.720 1.00 0.00 N ATOM 133 CA HIS A 16 3.159 12.106 5.123 1.00 0.00 C ATOM 134 C HIS A 16 2.963 10.884 6.029 1.00 0.00 C ATOM 135 O HIS A 16 3.476 10.846 7.144 1.00 0.00 O ATOM 136 CB HIS A 16 2.250 13.260 5.572 1.00 0.00 C ATOM 137 CG HIS A 16 0.803 12.897 5.670 1.00 0.00 C ATOM 138 ND1 HIS A 16 -0.130 12.709 4.710 1.00 0.00 N flip ATOM 139 CD2 HIS A 16 0.170 12.664 6.863 1.00 0.00 C flip ATOM 140 CE1 HIS A 16 -1.300 12.377 5.338 1.00 0.00 C flip ATOM 141 NE2 HIS A 16 -1.087 12.353 6.637 1.00 0.00 N flip ATOM 0 H HIS A 16 2.020 12.105 3.354 1.00 0.00 H new ATOM 0 HA HIS A 16 4.198 12.425 5.212 1.00 0.00 H new ATOM 0 HB2 HIS A 16 2.590 13.619 6.544 1.00 0.00 H new ATOM 0 HB3 HIS A 16 2.359 14.088 4.871 1.00 0.00 H new ATOM 0 HD2 HIS A 16 0.632 12.726 7.837 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -2.241 12.169 4.850 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -1.782 12.130 7.350 1.00 0.00 H new ATOM 150 N LYS A 17 2.216 9.891 5.546 1.00 0.00 N ATOM 151 CA LYS A 17 1.976 8.664 6.308 1.00 0.00 C ATOM 152 C LYS A 17 2.996 7.579 5.970 1.00 0.00 C ATOM 153 O LYS A 17 2.841 6.420 6.374 1.00 0.00 O ATOM 154 CB LYS A 17 0.566 8.137 6.042 1.00 0.00 C ATOM 155 CG LYS A 17 -0.524 9.087 6.498 1.00 0.00 C ATOM 156 CD LYS A 17 -1.868 8.394 6.628 1.00 0.00 C ATOM 157 CE LYS A 17 -2.222 7.613 5.379 1.00 0.00 C ATOM 158 NZ LYS A 17 -3.652 7.208 5.365 1.00 0.00 N ATOM 0 H LYS A 17 1.766 9.912 4.631 1.00 0.00 H new ATOM 0 HA LYS A 17 2.080 8.914 7.364 1.00 0.00 H new ATOM 0 HB2 LYS A 17 0.451 7.949 4.975 1.00 0.00 H new ATOM 0 HB3 LYS A 17 0.441 7.181 6.550 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -0.247 9.522 7.458 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -0.608 9.909 5.788 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -1.848 7.720 7.484 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -2.642 9.136 6.824 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -2.008 8.219 4.499 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -1.593 6.725 5.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -3.728 6.213 5.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -4.054 7.320 6.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -4.176 7.807 4.696 1.00 0.00 H new ATOM 172 N CYS A 18 4.053 7.960 5.261 1.00 0.00 N ATOM 173 CA CYS A 18 5.067 7.006 4.827 1.00 0.00 C ATOM 174 C CYS A 18 5.981 6.585 5.979 1.00 0.00 C ATOM 175 O CYS A 18 7.126 6.185 5.771 1.00 0.00 O ATOM 176 CB CYS A 18 5.883 7.582 3.667 1.00 0.00 C ATOM 177 SG CYS A 18 7.002 8.921 4.138 1.00 0.00 S ATOM 0 H CYS A 18 4.230 8.923 4.975 1.00 0.00 H new ATOM 0 HA CYS A 18 4.551 6.111 4.480 1.00 0.00 H new ATOM 0 HB2 CYS A 18 6.466 6.780 3.214 1.00 0.00 H new ATOM 0 HB3 CYS A 18 5.198 7.949 2.903 1.00 0.00 H new ATOM 0 HG CYS A 18 6.414 10.065 3.948 1.00 0.00 H new ATOM 183 N GLY A 19 5.468 6.656 7.194 1.00 0.00 N ATOM 184 CA GLY A 19 6.200 6.176 8.337 1.00 0.00 C ATOM 185 C GLY A 19 5.396 5.179 9.139 1.00 0.00 C ATOM 186 O GLY A 19 5.933 4.176 9.606 1.00 0.00 O ATOM 0 H GLY A 19 4.548 7.042 7.408 1.00 0.00 H new ATOM 0 HA2 GLY A 19 7.129 5.711 8.005 1.00 0.00 H new ATOM 0 HA3 GLY A 19 6.474 7.018 8.973 1.00 0.00 H new ATOM 190 N LEU A 20 4.101 5.446 9.293 1.00 0.00 N ATOM 191 CA LEU A 20 3.221 4.553 10.035 1.00 0.00 C ATOM 192 C LEU A 20 2.924 3.286 9.235 1.00 0.00 C ATOM 193 O LEU A 20 2.771 2.209 9.808 1.00 0.00 O ATOM 194 CB LEU A 20 1.920 5.270 10.445 1.00 0.00 C ATOM 195 CG LEU A 20 1.082 5.871 9.313 1.00 0.00 C ATOM 196 CD1 LEU A 20 0.023 4.888 8.839 1.00 0.00 C ATOM 197 CD2 LEU A 20 0.433 7.166 9.767 1.00 0.00 C ATOM 0 H LEU A 20 3.640 6.273 8.913 1.00 0.00 H new ATOM 0 HA LEU A 20 3.738 4.257 10.948 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.297 4.561 10.990 1.00 0.00 H new ATOM 0 HB3 LEU A 20 2.176 6.069 11.140 1.00 0.00 H new ATOM 0 HG LEU A 20 1.746 6.085 8.476 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.558 5.339 8.035 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.506 3.982 8.473 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.638 4.638 9.668 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.159 7.581 8.952 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.214 6.969 10.622 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.206 7.879 10.054 1.00 0.00 H new ATOM 209 N VAL A 21 2.848 3.410 7.912 1.00 0.00 N ATOM 210 CA VAL A 21 2.638 2.237 7.063 1.00 0.00 C ATOM 211 C VAL A 21 3.906 1.852 6.317 1.00 0.00 C ATOM 212 O VAL A 21 4.136 0.679 6.035 1.00 0.00 O ATOM 213 CB VAL A 21 1.507 2.432 6.030 1.00 0.00 C ATOM 214 CG1 VAL A 21 0.234 1.765 6.504 1.00 0.00 C ATOM 215 CG2 VAL A 21 1.255 3.902 5.758 1.00 0.00 C ATOM 0 H VAL A 21 2.927 4.294 7.410 1.00 0.00 H new ATOM 0 HA VAL A 21 2.349 1.440 7.748 1.00 0.00 H new ATOM 0 HB VAL A 21 1.826 1.965 5.098 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -0.552 1.913 5.763 1.00 0.00 H new ATOM 0 HG12 VAL A 21 0.410 0.698 6.638 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -0.075 2.203 7.453 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.453 4.004 5.027 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.967 4.399 6.684 1.00 0.00 H new ATOM 0 HG23 VAL A 21 2.163 4.361 5.367 1.00 0.00 H new ATOM 225 N ILE A 22 4.729 2.837 6.004 1.00 0.00 N ATOM 226 CA ILE A 22 5.919 2.589 5.208 1.00 0.00 C ATOM 227 C ILE A 22 7.135 2.421 6.110 1.00 0.00 C ATOM 228 O ILE A 22 7.719 1.345 6.172 1.00 0.00 O ATOM 229 CB ILE A 22 6.168 3.706 4.159 1.00 0.00 C ATOM 230 CG1 ILE A 22 5.053 3.731 3.106 1.00 0.00 C ATOM 231 CG2 ILE A 22 7.511 3.503 3.472 1.00 0.00 C ATOM 232 CD1 ILE A 22 3.705 4.245 3.584 1.00 0.00 C ATOM 0 H ILE A 22 4.598 3.808 6.286 1.00 0.00 H new ATOM 0 HA ILE A 22 5.753 1.663 4.657 1.00 0.00 H new ATOM 0 HB ILE A 22 6.174 4.660 4.686 1.00 0.00 H new ATOM 0 HG12 ILE A 22 5.381 4.350 2.271 1.00 0.00 H new ATOM 0 HG13 ILE A 22 4.920 2.720 2.721 1.00 0.00 H new ATOM 0 HG21 ILE A 22 7.669 4.295 2.740 1.00 0.00 H new ATOM 0 HG22 ILE A 22 8.308 3.532 4.215 1.00 0.00 H new ATOM 0 HG23 ILE A 22 7.520 2.536 2.968 1.00 0.00 H new ATOM 0 HD11 ILE A 22 2.993 4.219 2.759 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.343 3.615 4.397 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.812 5.270 3.939 1.00 0.00 H new ATOM 244 N GLY A 23 7.513 3.479 6.807 1.00 0.00 N ATOM 245 CA GLY A 23 8.602 3.382 7.757 1.00 0.00 C ATOM 246 C GLY A 23 9.927 3.804 7.157 1.00 0.00 C ATOM 247 O GLY A 23 9.961 4.473 6.124 1.00 0.00 O ATOM 0 H GLY A 23 7.087 4.403 6.733 1.00 0.00 H new ATOM 0 HA2 GLY A 23 8.382 4.006 8.623 1.00 0.00 H new ATOM 0 HA3 GLY A 23 8.678 2.355 8.115 1.00 0.00 H new ATOM 251 N ARG A 24 11.019 3.407 7.794 1.00 0.00 N ATOM 252 CA ARG A 24 12.355 3.752 7.322 1.00 0.00 C ATOM 253 C ARG A 24 12.736 2.915 6.104 1.00 0.00 C ATOM 254 O ARG A 24 13.140 1.761 6.240 1.00 0.00 O ATOM 255 CB ARG A 24 13.382 3.546 8.436 1.00 0.00 C ATOM 256 CG ARG A 24 13.165 4.441 9.644 1.00 0.00 C ATOM 257 CD ARG A 24 14.170 4.139 10.744 1.00 0.00 C ATOM 258 NE ARG A 24 14.055 2.765 11.230 1.00 0.00 N ATOM 259 CZ ARG A 24 14.936 2.179 12.041 1.00 0.00 C ATOM 260 NH1 ARG A 24 16.029 2.827 12.422 1.00 0.00 N ATOM 261 NH2 ARG A 24 14.730 0.936 12.447 1.00 0.00 N ATOM 0 H ARG A 24 11.007 2.843 8.644 1.00 0.00 H new ATOM 0 HA ARG A 24 12.349 4.803 7.032 1.00 0.00 H new ATOM 0 HB2 ARG A 24 13.352 2.505 8.757 1.00 0.00 H new ATOM 0 HB3 ARG A 24 14.379 3.727 8.036 1.00 0.00 H new ATOM 0 HG2 ARG A 24 13.253 5.486 9.345 1.00 0.00 H new ATOM 0 HG3 ARG A 24 12.153 4.302 10.025 1.00 0.00 H new ATOM 0 HD2 ARG A 24 15.179 4.307 10.369 1.00 0.00 H new ATOM 0 HD3 ARG A 24 14.019 4.830 11.573 1.00 0.00 H new ATOM 0 HE ARG A 24 13.248 2.219 10.929 1.00 0.00 H new ATOM 0 HH11 ARG A 24 16.198 3.778 12.094 1.00 0.00 H new ATOM 0 HH12 ARG A 24 16.700 2.374 13.043 1.00 0.00 H new ATOM 0 HH21 ARG A 24 13.900 0.430 12.139 1.00 0.00 H new ATOM 0 HH22 ARG A 24 15.402 0.484 13.068 1.00 0.00 H new ATOM 275 N GLY A 25 12.590 3.498 4.919 1.00 0.00 N ATOM 276 CA GLY A 25 12.929 2.796 3.694 1.00 0.00 C ATOM 277 C GLY A 25 12.029 1.602 3.450 1.00 0.00 C ATOM 278 O GLY A 25 12.489 0.550 3.001 1.00 0.00 O ATOM 0 H GLY A 25 12.242 4.447 4.784 1.00 0.00 H new ATOM 0 HA2 GLY A 25 12.854 3.483 2.851 1.00 0.00 H new ATOM 0 HA3 GLY A 25 13.966 2.463 3.743 1.00 0.00 H new ATOM 282 N GLY A 26 10.742 1.774 3.731 1.00 0.00 N ATOM 283 CA GLY A 26 9.805 0.673 3.626 1.00 0.00 C ATOM 284 C GLY A 26 10.090 -0.394 4.661 1.00 0.00 C ATOM 285 O GLY A 26 10.302 -1.560 4.334 1.00 0.00 O ATOM 0 H GLY A 26 10.331 2.658 4.030 1.00 0.00 H new ATOM 0 HA2 GLY A 26 8.788 1.045 3.755 1.00 0.00 H new ATOM 0 HA3 GLY A 26 9.862 0.239 2.628 1.00 0.00 H new ATOM 289 N GLU A 27 10.090 0.021 5.915 1.00 0.00 N ATOM 290 CA GLU A 27 10.430 -0.846 7.029 1.00 0.00 C ATOM 291 C GLU A 27 9.217 -1.645 7.500 1.00 0.00 C ATOM 292 O GLU A 27 9.341 -2.800 7.901 1.00 0.00 O ATOM 293 CB GLU A 27 10.991 0.006 8.170 1.00 0.00 C ATOM 294 CG GLU A 27 11.312 -0.759 9.440 1.00 0.00 C ATOM 295 CD GLU A 27 12.001 0.115 10.466 1.00 0.00 C ATOM 296 OE1 GLU A 27 11.742 1.339 10.481 1.00 0.00 O ATOM 297 OE2 GLU A 27 12.822 -0.409 11.245 1.00 0.00 O ATOM 0 H GLU A 27 9.853 0.974 6.191 1.00 0.00 H new ATOM 0 HA GLU A 27 11.183 -1.563 6.703 1.00 0.00 H new ATOM 0 HB2 GLU A 27 11.898 0.501 7.822 1.00 0.00 H new ATOM 0 HB3 GLU A 27 10.271 0.789 8.407 1.00 0.00 H new ATOM 0 HG2 GLU A 27 10.392 -1.161 9.864 1.00 0.00 H new ATOM 0 HG3 GLU A 27 11.950 -1.609 9.200 1.00 0.00 H new ATOM 304 N ASN A 28 8.043 -1.034 7.429 1.00 0.00 N ATOM 305 CA ASN A 28 6.828 -1.680 7.910 1.00 0.00 C ATOM 306 C ASN A 28 6.220 -2.554 6.818 1.00 0.00 C ATOM 307 O ASN A 28 5.709 -3.641 7.093 1.00 0.00 O ATOM 308 CB ASN A 28 5.805 -0.632 8.374 1.00 0.00 C ATOM 309 CG ASN A 28 4.664 -1.246 9.170 1.00 0.00 C ATOM 310 OD1 ASN A 28 3.621 -1.607 8.622 1.00 0.00 O ATOM 311 ND2 ASN A 28 4.860 -1.370 10.476 1.00 0.00 N ATOM 0 H ASN A 28 7.905 -0.099 7.046 1.00 0.00 H new ATOM 0 HA ASN A 28 7.092 -2.310 8.759 1.00 0.00 H new ATOM 0 HB2 ASN A 28 6.308 0.117 8.985 1.00 0.00 H new ATOM 0 HB3 ASN A 28 5.400 -0.114 7.505 1.00 0.00 H new ATOM 0 HD21 ASN A 28 4.133 -1.776 11.065 1.00 0.00 H new ATOM 0 HD22 ASN A 28 5.738 -1.059 10.892 1.00 0.00 H new ATOM 318 N VAL A 29 6.316 -2.093 5.575 1.00 0.00 N ATOM 319 CA VAL A 29 5.700 -2.787 4.444 1.00 0.00 C ATOM 320 C VAL A 29 6.283 -4.188 4.242 1.00 0.00 C ATOM 321 O VAL A 29 5.603 -5.088 3.747 1.00 0.00 O ATOM 322 CB VAL A 29 5.833 -1.980 3.132 1.00 0.00 C ATOM 323 CG1 VAL A 29 5.182 -0.613 3.275 1.00 0.00 C ATOM 324 CG2 VAL A 29 7.290 -1.836 2.718 1.00 0.00 C ATOM 0 H VAL A 29 6.815 -1.240 5.323 1.00 0.00 H new ATOM 0 HA VAL A 29 4.643 -2.884 4.691 1.00 0.00 H new ATOM 0 HB VAL A 29 5.314 -2.531 2.348 1.00 0.00 H new ATOM 0 HG11 VAL A 29 5.286 -0.061 2.341 1.00 0.00 H new ATOM 0 HG12 VAL A 29 4.124 -0.736 3.507 1.00 0.00 H new ATOM 0 HG13 VAL A 29 5.668 -0.061 4.079 1.00 0.00 H new ATOM 0 HG21 VAL A 29 7.350 -1.264 1.792 1.00 0.00 H new ATOM 0 HG22 VAL A 29 7.841 -1.317 3.502 1.00 0.00 H new ATOM 0 HG23 VAL A 29 7.724 -2.824 2.563 1.00 0.00 H new ATOM 334 N LYS A 30 7.533 -4.378 4.645 1.00 0.00 N ATOM 335 CA LYS A 30 8.183 -5.673 4.499 1.00 0.00 C ATOM 336 C LYS A 30 7.676 -6.646 5.563 1.00 0.00 C ATOM 337 O LYS A 30 7.747 -7.865 5.397 1.00 0.00 O ATOM 338 CB LYS A 30 9.704 -5.521 4.584 1.00 0.00 C ATOM 339 CG LYS A 30 10.189 -5.048 5.939 1.00 0.00 C ATOM 340 CD LYS A 30 11.699 -4.861 5.968 1.00 0.00 C ATOM 341 CE LYS A 30 12.179 -4.413 7.340 1.00 0.00 C ATOM 342 NZ LYS A 30 13.651 -4.199 7.377 1.00 0.00 N ATOM 0 H LYS A 30 8.113 -3.657 5.073 1.00 0.00 H new ATOM 0 HA LYS A 30 7.935 -6.078 3.518 1.00 0.00 H new ATOM 0 HB2 LYS A 30 10.170 -6.479 4.354 1.00 0.00 H new ATOM 0 HB3 LYS A 30 10.034 -4.815 3.822 1.00 0.00 H new ATOM 0 HG2 LYS A 30 9.702 -4.106 6.190 1.00 0.00 H new ATOM 0 HG3 LYS A 30 9.898 -5.771 6.701 1.00 0.00 H new ATOM 0 HD2 LYS A 30 12.188 -5.797 5.698 1.00 0.00 H new ATOM 0 HD3 LYS A 30 11.990 -4.123 5.221 1.00 0.00 H new ATOM 0 HE2 LYS A 30 11.672 -3.489 7.617 1.00 0.00 H new ATOM 0 HE3 LYS A 30 11.903 -5.162 8.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 13.934 -3.895 8.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 14.137 -5.087 7.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 13.913 -3.465 6.688 1.00 0.00 H new ATOM 356 N ALA A 31 7.149 -6.102 6.658 1.00 0.00 N ATOM 357 CA ALA A 31 6.563 -6.928 7.700 1.00 0.00 C ATOM 358 C ALA A 31 5.116 -7.230 7.363 1.00 0.00 C ATOM 359 O ALA A 31 4.569 -8.246 7.785 1.00 0.00 O ATOM 360 CB ALA A 31 6.661 -6.267 9.060 1.00 0.00 C ATOM 0 H ALA A 31 7.118 -5.099 6.842 1.00 0.00 H new ATOM 0 HA ALA A 31 7.126 -7.860 7.748 1.00 0.00 H new ATOM 0 HB1 ALA A 31 6.212 -6.915 9.813 1.00 0.00 H new ATOM 0 HB2 ALA A 31 7.709 -6.096 9.307 1.00 0.00 H new ATOM 0 HB3 ALA A 31 6.133 -5.314 9.040 1.00 0.00 H new ATOM 366 N ILE A 32 4.491 -6.336 6.610 1.00 0.00 N ATOM 367 CA ILE A 32 3.177 -6.621 6.059 1.00 0.00 C ATOM 368 C ILE A 32 3.296 -7.835 5.153 1.00 0.00 C ATOM 369 O ILE A 32 2.499 -8.764 5.222 1.00 0.00 O ATOM 370 CB ILE A 32 2.612 -5.449 5.231 1.00 0.00 C ATOM 371 CG1 ILE A 32 2.729 -4.131 5.992 1.00 0.00 C ATOM 372 CG2 ILE A 32 1.158 -5.715 4.870 1.00 0.00 C ATOM 373 CD1 ILE A 32 2.375 -2.922 5.151 1.00 0.00 C ATOM 0 H ILE A 32 4.868 -5.419 6.370 1.00 0.00 H new ATOM 0 HA ILE A 32 2.496 -6.795 6.892 1.00 0.00 H new ATOM 0 HB ILE A 32 3.199 -5.367 4.316 1.00 0.00 H new ATOM 0 HG12 ILE A 32 2.075 -4.163 6.864 1.00 0.00 H new ATOM 0 HG13 ILE A 32 3.748 -4.022 6.362 1.00 0.00 H new ATOM 0 HG21 ILE A 32 0.770 -4.881 4.286 1.00 0.00 H new ATOM 0 HG22 ILE A 32 1.090 -6.631 4.284 1.00 0.00 H new ATOM 0 HG23 ILE A 32 0.571 -5.824 5.782 1.00 0.00 H new ATOM 0 HD11 ILE A 32 2.479 -2.018 5.751 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.045 -2.867 4.293 1.00 0.00 H new ATOM 0 HD13 ILE A 32 1.346 -3.010 4.802 1.00 0.00 H new ATOM 385 N ASN A 33 4.336 -7.811 4.327 1.00 0.00 N ATOM 386 CA ASN A 33 4.637 -8.887 3.388 1.00 0.00 C ATOM 387 C ASN A 33 4.772 -10.226 4.110 1.00 0.00 C ATOM 388 O ASN A 33 4.113 -11.194 3.747 1.00 0.00 O ATOM 389 CB ASN A 33 5.945 -8.564 2.651 1.00 0.00 C ATOM 390 CG ASN A 33 6.181 -9.430 1.421 1.00 0.00 C ATOM 391 OD1 ASN A 33 5.768 -10.590 1.357 1.00 0.00 O ATOM 392 ND2 ASN A 33 6.864 -8.869 0.432 1.00 0.00 N ATOM 0 H ASN A 33 5.000 -7.038 4.289 1.00 0.00 H new ATOM 0 HA ASN A 33 3.816 -8.966 2.676 1.00 0.00 H new ATOM 0 HB2 ASN A 33 5.934 -7.516 2.351 1.00 0.00 H new ATOM 0 HB3 ASN A 33 6.781 -8.690 3.339 1.00 0.00 H new ATOM 0 HD21 ASN A 33 7.063 -9.400 -0.416 1.00 0.00 H new ATOM 0 HD22 ASN A 33 7.190 -7.907 0.519 1.00 0.00 H new ATOM 399 N GLN A 34 5.614 -10.270 5.141 1.00 0.00 N ATOM 400 CA GLN A 34 5.874 -11.519 5.860 1.00 0.00 C ATOM 401 C GLN A 34 4.597 -12.073 6.490 1.00 0.00 C ATOM 402 O GLN A 34 4.425 -13.285 6.610 1.00 0.00 O ATOM 403 CB GLN A 34 6.942 -11.313 6.938 1.00 0.00 C ATOM 404 CG GLN A 34 6.495 -10.448 8.101 1.00 0.00 C ATOM 405 CD GLN A 34 7.534 -10.354 9.196 1.00 0.00 C ATOM 406 OE1 GLN A 34 8.402 -9.485 9.169 1.00 0.00 O ATOM 407 NE2 GLN A 34 7.447 -11.241 10.173 1.00 0.00 N ATOM 0 H GLN A 34 6.125 -9.462 5.496 1.00 0.00 H new ATOM 0 HA GLN A 34 6.241 -12.245 5.134 1.00 0.00 H new ATOM 0 HB2 GLN A 34 7.248 -12.287 7.321 1.00 0.00 H new ATOM 0 HB3 GLN A 34 7.821 -10.860 6.480 1.00 0.00 H new ATOM 0 HG2 GLN A 34 6.267 -9.447 7.736 1.00 0.00 H new ATOM 0 HG3 GLN A 34 5.572 -10.854 8.516 1.00 0.00 H new ATOM 0 HE21 GLN A 34 6.711 -11.947 10.157 1.00 0.00 H new ATOM 0 HE22 GLN A 34 8.116 -11.220 10.942 1.00 0.00 H new ATOM 416 N GLN A 35 3.704 -11.176 6.887 1.00 0.00 N ATOM 417 CA GLN A 35 2.444 -11.578 7.504 1.00 0.00 C ATOM 418 C GLN A 35 1.440 -12.056 6.463 1.00 0.00 C ATOM 419 O GLN A 35 0.572 -12.880 6.754 1.00 0.00 O ATOM 420 CB GLN A 35 1.821 -10.426 8.295 1.00 0.00 C ATOM 421 CG GLN A 35 2.691 -9.899 9.424 1.00 0.00 C ATOM 422 CD GLN A 35 3.025 -10.945 10.480 1.00 0.00 C ATOM 423 OE1 GLN A 35 3.141 -12.136 10.197 1.00 0.00 O ATOM 424 NE2 GLN A 35 3.182 -10.502 11.715 1.00 0.00 N ATOM 0 H GLN A 35 3.827 -10.168 6.794 1.00 0.00 H new ATOM 0 HA GLN A 35 2.677 -12.399 8.181 1.00 0.00 H new ATOM 0 HB2 GLN A 35 1.601 -9.608 7.610 1.00 0.00 H new ATOM 0 HB3 GLN A 35 0.870 -10.759 8.710 1.00 0.00 H new ATOM 0 HG2 GLN A 35 3.619 -9.510 9.004 1.00 0.00 H new ATOM 0 HG3 GLN A 35 2.182 -9.062 9.903 1.00 0.00 H new ATOM 0 HE21 GLN A 35 3.079 -9.508 11.917 1.00 0.00 H new ATOM 0 HE22 GLN A 35 3.406 -11.155 12.466 1.00 0.00 H new ATOM 433 N THR A 36 1.562 -11.540 5.251 1.00 0.00 N ATOM 434 CA THR A 36 0.541 -11.739 4.238 1.00 0.00 C ATOM 435 C THR A 36 0.974 -12.688 3.123 1.00 0.00 C ATOM 436 O THR A 36 0.344 -13.724 2.890 1.00 0.00 O ATOM 437 CB THR A 36 0.140 -10.388 3.621 1.00 0.00 C ATOM 438 OG1 THR A 36 1.296 -9.711 3.106 1.00 0.00 O ATOM 439 CG2 THR A 36 -0.546 -9.521 4.662 1.00 0.00 C ATOM 0 H THR A 36 2.358 -10.980 4.946 1.00 0.00 H new ATOM 0 HA THR A 36 -0.307 -12.199 4.745 1.00 0.00 H new ATOM 0 HB THR A 36 -0.553 -10.573 2.800 1.00 0.00 H new ATOM 0 HG1 THR A 36 1.879 -9.448 3.849 1.00 0.00 H new ATOM 0 HG21 THR A 36 -0.825 -8.567 4.214 1.00 0.00 H new ATOM 0 HG22 THR A 36 -1.440 -10.027 5.025 1.00 0.00 H new ATOM 0 HG23 THR A 36 0.135 -9.345 5.495 1.00 0.00 H new ATOM 447 N GLY A 37 2.050 -12.327 2.446 1.00 0.00 N ATOM 448 CA GLY A 37 2.461 -13.035 1.257 1.00 0.00 C ATOM 449 C GLY A 37 2.495 -12.112 0.061 1.00 0.00 C ATOM 450 O GLY A 37 3.098 -12.425 -0.966 1.00 0.00 O ATOM 0 H GLY A 37 2.653 -11.546 2.704 1.00 0.00 H new ATOM 0 HA2 GLY A 37 3.448 -13.471 1.412 1.00 0.00 H new ATOM 0 HA3 GLY A 37 1.774 -13.860 1.065 1.00 0.00 H new ATOM 454 N ALA A 38 1.843 -10.965 0.196 1.00 0.00 N ATOM 455 CA ALA A 38 1.746 -10.013 -0.897 1.00 0.00 C ATOM 456 C ALA A 38 2.888 -9.014 -0.860 1.00 0.00 C ATOM 457 O ALA A 38 3.455 -8.746 0.198 1.00 0.00 O ATOM 458 CB ALA A 38 0.420 -9.284 -0.852 1.00 0.00 C ATOM 0 H ALA A 38 1.374 -10.673 1.053 1.00 0.00 H new ATOM 0 HA ALA A 38 1.812 -10.573 -1.830 1.00 0.00 H new ATOM 0 HB1 ALA A 38 0.366 -8.575 -1.678 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -0.394 -10.004 -0.938 1.00 0.00 H new ATOM 0 HB3 ALA A 38 0.332 -8.747 0.093 1.00 0.00 H new ATOM 464 N PHE A 39 3.205 -8.456 -2.012 1.00 0.00 N ATOM 465 CA PHE A 39 4.307 -7.517 -2.128 1.00 0.00 C ATOM 466 C PHE A 39 3.799 -6.083 -2.051 1.00 0.00 C ATOM 467 O PHE A 39 3.114 -5.614 -2.962 1.00 0.00 O ATOM 468 CB PHE A 39 5.037 -7.730 -3.450 1.00 0.00 C ATOM 469 CG PHE A 39 5.500 -9.141 -3.679 1.00 0.00 C ATOM 470 CD1 PHE A 39 6.662 -9.610 -3.092 1.00 0.00 C ATOM 471 CD2 PHE A 39 4.771 -9.995 -4.493 1.00 0.00 C ATOM 472 CE1 PHE A 39 7.090 -10.905 -3.312 1.00 0.00 C ATOM 473 CE2 PHE A 39 5.193 -11.292 -4.714 1.00 0.00 C ATOM 474 CZ PHE A 39 6.354 -11.748 -4.123 1.00 0.00 C ATOM 0 H PHE A 39 2.713 -8.637 -2.887 1.00 0.00 H new ATOM 0 HA PHE A 39 4.996 -7.691 -1.301 1.00 0.00 H new ATOM 0 HB2 PHE A 39 4.377 -7.439 -4.267 1.00 0.00 H new ATOM 0 HB3 PHE A 39 5.901 -7.066 -3.486 1.00 0.00 H new ATOM 0 HD1 PHE A 39 7.240 -8.957 -2.455 1.00 0.00 H new ATOM 0 HD2 PHE A 39 3.863 -9.642 -4.959 1.00 0.00 H new ATOM 0 HE1 PHE A 39 8.000 -11.259 -2.850 1.00 0.00 H new ATOM 0 HE2 PHE A 39 4.615 -11.948 -5.348 1.00 0.00 H new ATOM 0 HZ PHE A 39 6.687 -12.761 -4.294 1.00 0.00 H new ATOM 484 N VAL A 40 4.128 -5.401 -0.961 1.00 0.00 N ATOM 485 CA VAL A 40 3.738 -4.006 -0.775 1.00 0.00 C ATOM 486 C VAL A 40 4.873 -3.092 -1.244 1.00 0.00 C ATOM 487 O VAL A 40 5.819 -2.814 -0.500 1.00 0.00 O ATOM 488 CB VAL A 40 3.378 -3.716 0.707 1.00 0.00 C ATOM 489 CG1 VAL A 40 2.730 -2.350 0.854 1.00 0.00 C ATOM 490 CG2 VAL A 40 2.461 -4.799 1.256 1.00 0.00 C ATOM 0 H VAL A 40 4.667 -5.792 -0.188 1.00 0.00 H new ATOM 0 HA VAL A 40 2.848 -3.810 -1.372 1.00 0.00 H new ATOM 0 HB VAL A 40 4.303 -3.717 1.284 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.488 -2.173 1.902 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.419 -1.581 0.506 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.817 -2.315 0.260 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.220 -4.579 2.296 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.543 -4.830 0.669 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.963 -5.765 1.197 1.00 0.00 H new ATOM 500 N GLU A 41 4.770 -2.648 -2.491 1.00 0.00 N ATOM 501 CA GLU A 41 5.840 -1.923 -3.163 1.00 0.00 C ATOM 502 C GLU A 41 5.599 -0.416 -3.151 1.00 0.00 C ATOM 503 O GLU A 41 4.462 0.046 -3.068 1.00 0.00 O ATOM 504 CB GLU A 41 5.950 -2.386 -4.617 1.00 0.00 C ATOM 505 CG GLU A 41 6.021 -3.892 -4.787 1.00 0.00 C ATOM 506 CD GLU A 41 7.192 -4.513 -4.058 1.00 0.00 C ATOM 507 OE1 GLU A 41 8.338 -4.347 -4.520 1.00 0.00 O ATOM 508 OE2 GLU A 41 6.972 -5.172 -3.028 1.00 0.00 O ATOM 0 H GLU A 41 3.938 -2.782 -3.066 1.00 0.00 H new ATOM 0 HA GLU A 41 6.763 -2.133 -2.622 1.00 0.00 H new ATOM 0 HB2 GLU A 41 5.091 -2.009 -5.172 1.00 0.00 H new ATOM 0 HB3 GLU A 41 6.839 -1.939 -5.063 1.00 0.00 H new ATOM 0 HG2 GLU A 41 5.095 -4.338 -4.423 1.00 0.00 H new ATOM 0 HG3 GLU A 41 6.093 -4.130 -5.848 1.00 0.00 H new ATOM 515 N ILE A 42 6.679 0.338 -3.301 1.00 0.00 N ATOM 516 CA ILE A 42 6.611 1.788 -3.321 1.00 0.00 C ATOM 517 C ILE A 42 6.625 2.225 -4.773 1.00 0.00 C ATOM 518 O ILE A 42 7.644 2.110 -5.455 1.00 0.00 O ATOM 519 CB ILE A 42 7.788 2.468 -2.566 1.00 0.00 C ATOM 520 CG1 ILE A 42 7.975 1.887 -1.153 1.00 0.00 C ATOM 521 CG2 ILE A 42 7.550 3.970 -2.470 1.00 0.00 C ATOM 522 CD1 ILE A 42 8.789 0.608 -1.095 1.00 0.00 C ATOM 0 H ILE A 42 7.621 -0.038 -3.411 1.00 0.00 H new ATOM 0 HA ILE A 42 5.700 2.094 -2.807 1.00 0.00 H new ATOM 0 HB ILE A 42 8.697 2.272 -3.135 1.00 0.00 H new ATOM 0 HG12 ILE A 42 8.458 2.638 -0.528 1.00 0.00 H new ATOM 0 HG13 ILE A 42 6.993 1.696 -0.721 1.00 0.00 H new ATOM 0 HG21 ILE A 42 8.380 4.437 -1.940 1.00 0.00 H new ATOM 0 HG22 ILE A 42 7.477 4.392 -3.472 1.00 0.00 H new ATOM 0 HG23 ILE A 42 6.622 4.158 -1.929 1.00 0.00 H new ATOM 0 HD11 ILE A 42 8.868 0.273 -0.061 1.00 0.00 H new ATOM 0 HD12 ILE A 42 8.298 -0.163 -1.689 1.00 0.00 H new ATOM 0 HD13 ILE A 42 9.787 0.793 -1.493 1.00 0.00 H new ATOM 534 N SER A 43 5.496 2.696 -5.251 1.00 0.00 N ATOM 535 CA SER A 43 5.303 2.864 -6.674 1.00 0.00 C ATOM 536 C SER A 43 5.730 4.240 -7.164 1.00 0.00 C ATOM 537 O SER A 43 6.185 5.085 -6.391 1.00 0.00 O ATOM 538 CB SER A 43 3.844 2.617 -7.001 1.00 0.00 C ATOM 539 OG SER A 43 3.218 1.904 -5.952 1.00 0.00 O ATOM 0 H SER A 43 4.698 2.969 -4.677 1.00 0.00 H new ATOM 0 HA SER A 43 5.937 2.142 -7.190 1.00 0.00 H new ATOM 0 HB2 SER A 43 3.334 3.567 -7.158 1.00 0.00 H new ATOM 0 HB3 SER A 43 3.763 2.054 -7.931 1.00 0.00 H new ATOM 0 HG SER A 43 3.100 2.495 -5.179 1.00 0.00 H new ATOM 545 N ARG A 44 5.582 4.446 -8.465 1.00 0.00 N ATOM 546 CA ARG A 44 6.012 5.675 -9.110 1.00 0.00 C ATOM 547 C ARG A 44 4.894 6.230 -9.980 1.00 0.00 C ATOM 548 O ARG A 44 5.114 7.108 -10.814 1.00 0.00 O ATOM 549 CB ARG A 44 7.280 5.436 -9.951 1.00 0.00 C ATOM 550 CG ARG A 44 7.116 4.460 -11.119 1.00 0.00 C ATOM 551 CD ARG A 44 6.904 3.021 -10.661 1.00 0.00 C ATOM 552 NE ARG A 44 7.934 2.583 -9.719 1.00 0.00 N ATOM 553 CZ ARG A 44 7.974 1.371 -9.166 1.00 0.00 C ATOM 554 NH1 ARG A 44 7.075 0.452 -9.500 1.00 0.00 N ATOM 555 NH2 ARG A 44 8.920 1.077 -8.284 1.00 0.00 N ATOM 0 H ARG A 44 5.162 3.767 -9.100 1.00 0.00 H new ATOM 0 HA ARG A 44 6.250 6.405 -8.337 1.00 0.00 H new ATOM 0 HB2 ARG A 44 7.621 6.394 -10.344 1.00 0.00 H new ATOM 0 HB3 ARG A 44 8.066 5.063 -9.295 1.00 0.00 H new ATOM 0 HG2 ARG A 44 6.268 4.771 -11.730 1.00 0.00 H new ATOM 0 HG3 ARG A 44 8.001 4.508 -11.754 1.00 0.00 H new ATOM 0 HD2 ARG A 44 5.924 2.931 -10.192 1.00 0.00 H new ATOM 0 HD3 ARG A 44 6.904 2.362 -11.529 1.00 0.00 H new ATOM 0 HE ARG A 44 8.667 3.247 -9.470 1.00 0.00 H new ATOM 0 HH11 ARG A 44 6.350 0.672 -10.183 1.00 0.00 H new ATOM 0 HH12 ARG A 44 7.110 -0.474 -9.074 1.00 0.00 H new ATOM 0 HH21 ARG A 44 9.616 1.778 -8.030 1.00 0.00 H new ATOM 0 HH22 ARG A 44 8.952 0.150 -7.860 1.00 0.00 H new ATOM 569 N GLN A 45 3.696 5.705 -9.775 1.00 0.00 N ATOM 570 CA GLN A 45 2.528 6.146 -10.519 1.00 0.00 C ATOM 571 C GLN A 45 1.901 7.348 -9.837 1.00 0.00 C ATOM 572 O GLN A 45 1.703 7.347 -8.622 1.00 0.00 O ATOM 573 CB GLN A 45 1.491 5.018 -10.640 1.00 0.00 C ATOM 574 CG GLN A 45 1.790 3.996 -11.729 1.00 0.00 C ATOM 575 CD GLN A 45 3.087 3.234 -11.517 1.00 0.00 C ATOM 576 OE1 GLN A 45 3.516 2.995 -10.385 1.00 0.00 O ATOM 577 NE2 GLN A 45 3.723 2.851 -12.611 1.00 0.00 N ATOM 0 H GLN A 45 3.507 4.968 -9.095 1.00 0.00 H new ATOM 0 HA GLN A 45 2.851 6.425 -11.522 1.00 0.00 H new ATOM 0 HB2 GLN A 45 1.423 4.500 -9.683 1.00 0.00 H new ATOM 0 HB3 GLN A 45 0.514 5.460 -10.833 1.00 0.00 H new ATOM 0 HG2 GLN A 45 0.966 3.284 -11.782 1.00 0.00 H new ATOM 0 HG3 GLN A 45 1.833 4.506 -12.691 1.00 0.00 H new ATOM 0 HE21 GLN A 45 3.335 3.068 -13.529 1.00 0.00 H new ATOM 0 HE22 GLN A 45 4.602 2.338 -12.537 1.00 0.00 H new ATOM 586 N LEU A 46 1.608 8.374 -10.614 1.00 0.00 N ATOM 587 CA LEU A 46 0.949 9.558 -10.092 1.00 0.00 C ATOM 588 C LEU A 46 -0.557 9.350 -10.113 1.00 0.00 C ATOM 589 O LEU A 46 -1.101 8.812 -11.077 1.00 0.00 O ATOM 590 CB LEU A 46 1.315 10.809 -10.910 1.00 0.00 C ATOM 591 CG LEU A 46 2.742 11.348 -10.716 1.00 0.00 C ATOM 592 CD1 LEU A 46 3.033 11.583 -9.242 1.00 0.00 C ATOM 593 CD2 LEU A 46 3.775 10.409 -11.323 1.00 0.00 C ATOM 0 H LEU A 46 1.816 8.412 -11.612 1.00 0.00 H new ATOM 0 HA LEU A 46 1.287 9.716 -9.068 1.00 0.00 H new ATOM 0 HB2 LEU A 46 1.174 10.582 -11.967 1.00 0.00 H new ATOM 0 HB3 LEU A 46 0.611 11.602 -10.658 1.00 0.00 H new ATOM 0 HG LEU A 46 2.810 12.303 -11.238 1.00 0.00 H new ATOM 0 HD11 LEU A 46 4.048 11.964 -9.128 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.325 12.310 -8.843 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.935 10.644 -8.698 1.00 0.00 H new ATOM 0 HD21 LEU A 46 4.773 10.818 -11.169 1.00 0.00 H new ATOM 0 HD22 LEU A 46 3.705 9.433 -10.844 1.00 0.00 H new ATOM 0 HD23 LEU A 46 3.587 10.303 -12.391 1.00 0.00 H new ATOM 605 N PRO A 47 -1.248 9.759 -9.042 1.00 0.00 N ATOM 606 CA PRO A 47 -2.702 9.650 -8.966 1.00 0.00 C ATOM 607 C PRO A 47 -3.355 10.548 -10.007 1.00 0.00 C ATOM 608 O PRO A 47 -2.793 11.575 -10.380 1.00 0.00 O ATOM 609 CB PRO A 47 -3.030 10.131 -7.546 1.00 0.00 C ATOM 610 CG PRO A 47 -1.865 10.965 -7.140 1.00 0.00 C ATOM 611 CD PRO A 47 -0.669 10.380 -7.838 1.00 0.00 C ATOM 0 HA PRO A 47 -3.066 8.641 -9.161 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -3.954 10.709 -7.529 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -3.168 9.290 -6.867 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -2.013 12.006 -7.427 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -1.732 10.948 -6.058 1.00 0.00 H new ATOM 0 HD2 PRO A 47 0.062 11.147 -8.093 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -0.158 9.647 -7.214 1.00 0.00 H new ATOM 619 N PRO A 48 -4.552 10.167 -10.487 1.00 0.00 N ATOM 620 CA PRO A 48 -5.257 10.878 -11.568 1.00 0.00 C ATOM 621 C PRO A 48 -5.518 12.347 -11.252 1.00 0.00 C ATOM 622 O PRO A 48 -5.851 13.131 -12.137 1.00 0.00 O ATOM 623 CB PRO A 48 -6.581 10.118 -11.696 1.00 0.00 C ATOM 624 CG PRO A 48 -6.302 8.770 -11.129 1.00 0.00 C ATOM 625 CD PRO A 48 -5.313 8.992 -10.022 1.00 0.00 C ATOM 0 HA PRO A 48 -4.663 10.894 -12.482 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -7.379 10.620 -11.149 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -6.900 10.051 -12.736 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -7.214 8.307 -10.752 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -5.896 8.102 -11.889 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -5.809 9.183 -9.070 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -4.668 8.125 -9.877 1.00 0.00 H new ATOM 633 N ASN A 49 -5.354 12.712 -9.986 1.00 0.00 N ATOM 634 CA ASN A 49 -5.542 14.089 -9.552 1.00 0.00 C ATOM 635 C ASN A 49 -4.243 14.884 -9.646 1.00 0.00 C ATOM 636 O ASN A 49 -4.240 16.109 -9.547 1.00 0.00 O ATOM 637 CB ASN A 49 -6.074 14.132 -8.119 1.00 0.00 C ATOM 638 CG ASN A 49 -7.513 13.659 -8.023 1.00 0.00 C ATOM 639 OD1 ASN A 49 -8.292 13.811 -8.963 1.00 0.00 O ATOM 640 ND2 ASN A 49 -7.878 13.088 -6.886 1.00 0.00 N ATOM 0 H ASN A 49 -5.090 12.069 -9.239 1.00 0.00 H new ATOM 0 HA ASN A 49 -6.272 14.547 -10.219 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -5.446 13.509 -7.482 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -6.003 15.151 -7.738 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -8.835 12.756 -6.766 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -7.202 12.980 -6.130 1.00 0.00 H new ATOM 647 N GLY A 50 -3.142 14.165 -9.853 1.00 0.00 N ATOM 648 CA GLY A 50 -1.835 14.788 -9.945 1.00 0.00 C ATOM 649 C GLY A 50 -1.358 15.329 -8.614 1.00 0.00 C ATOM 650 O GLY A 50 -0.844 16.445 -8.539 1.00 0.00 O ATOM 0 H GLY A 50 -3.135 13.151 -9.959 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -1.114 14.060 -10.318 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -1.873 15.600 -10.671 1.00 0.00 H new ATOM 654 N ASP A 51 -1.515 14.535 -7.562 1.00 0.00 N ATOM 655 CA ASP A 51 -1.169 14.973 -6.213 1.00 0.00 C ATOM 656 C ASP A 51 0.084 14.256 -5.709 1.00 0.00 C ATOM 657 O ASP A 51 0.091 13.035 -5.548 1.00 0.00 O ATOM 658 CB ASP A 51 -2.335 14.712 -5.258 1.00 0.00 C ATOM 659 CG ASP A 51 -2.247 15.542 -3.994 1.00 0.00 C ATOM 660 OD1 ASP A 51 -1.215 15.479 -3.293 1.00 0.00 O ATOM 661 OD2 ASP A 51 -3.222 16.258 -3.688 1.00 0.00 O ATOM 0 H ASP A 51 -1.880 13.584 -7.616 1.00 0.00 H new ATOM 0 HA ASP A 51 -0.964 16.043 -6.247 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -3.273 14.930 -5.768 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -2.354 13.655 -4.994 1.00 0.00 H new ATOM 666 N PRO A 52 1.164 15.009 -5.458 1.00 0.00 N ATOM 667 CA PRO A 52 2.445 14.460 -4.995 1.00 0.00 C ATOM 668 C PRO A 52 2.449 14.071 -3.511 1.00 0.00 C ATOM 669 O PRO A 52 3.424 13.499 -3.018 1.00 0.00 O ATOM 670 CB PRO A 52 3.443 15.605 -5.244 1.00 0.00 C ATOM 671 CG PRO A 52 2.684 16.645 -6.005 1.00 0.00 C ATOM 672 CD PRO A 52 1.245 16.459 -5.636 1.00 0.00 C ATOM 0 HA PRO A 52 2.682 13.535 -5.520 1.00 0.00 H new ATOM 0 HB2 PRO A 52 3.821 16.006 -4.304 1.00 0.00 H new ATOM 0 HB3 PRO A 52 4.306 15.256 -5.812 1.00 0.00 H new ATOM 0 HG2 PRO A 52 3.027 17.646 -5.745 1.00 0.00 H new ATOM 0 HG3 PRO A 52 2.830 16.527 -7.079 1.00 0.00 H new ATOM 0 HD2 PRO A 52 0.984 16.998 -4.725 1.00 0.00 H new ATOM 0 HD3 PRO A 52 0.574 16.813 -6.419 1.00 0.00 H new ATOM 680 N ASN A 53 1.368 14.376 -2.795 1.00 0.00 N ATOM 681 CA ASN A 53 1.269 14.000 -1.382 1.00 0.00 C ATOM 682 C ASN A 53 0.554 12.658 -1.259 1.00 0.00 C ATOM 683 O ASN A 53 0.314 12.154 -0.165 1.00 0.00 O ATOM 684 CB ASN A 53 0.527 15.074 -0.576 1.00 0.00 C ATOM 685 CG ASN A 53 0.840 15.036 0.918 1.00 0.00 C ATOM 686 OD1 ASN A 53 0.688 16.175 1.575 1.00 0.00 O flip ATOM 687 ND2 ASN A 53 1.204 14.001 1.482 1.00 0.00 N flip ATOM 0 H ASN A 53 0.558 14.875 -3.162 1.00 0.00 H new ATOM 0 HA ASN A 53 2.276 13.912 -0.974 1.00 0.00 H new ATOM 0 HB2 ASN A 53 0.787 16.057 -0.969 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -0.546 14.947 -0.718 1.00 0.00 H new ATOM 0 HD21 ASN A 53 1.312 13.139 0.947 1.00 0.00 H new ATOM 0 HD22 ASN A 53 1.397 14.007 2.483 1.00 0.00 H new ATOM 694 N PHE A 54 0.211 12.083 -2.397 1.00 0.00 N ATOM 695 CA PHE A 54 -0.406 10.771 -2.431 1.00 0.00 C ATOM 696 C PHE A 54 0.410 9.832 -3.300 1.00 0.00 C ATOM 697 O PHE A 54 0.165 9.699 -4.500 1.00 0.00 O ATOM 698 CB PHE A 54 -1.851 10.858 -2.931 1.00 0.00 C ATOM 699 CG PHE A 54 -2.780 11.496 -1.941 1.00 0.00 C ATOM 700 CD1 PHE A 54 -2.945 12.870 -1.908 1.00 0.00 C ATOM 701 CD2 PHE A 54 -3.488 10.718 -1.040 1.00 0.00 C ATOM 702 CE1 PHE A 54 -3.796 13.457 -0.995 1.00 0.00 C ATOM 703 CE2 PHE A 54 -4.344 11.299 -0.125 1.00 0.00 C ATOM 704 CZ PHE A 54 -4.498 12.672 -0.103 1.00 0.00 C ATOM 0 H PHE A 54 0.350 12.507 -3.314 1.00 0.00 H new ATOM 0 HA PHE A 54 -0.429 10.374 -1.416 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -1.874 11.427 -3.860 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -2.210 9.855 -3.163 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -2.401 13.490 -2.605 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -3.369 9.645 -1.053 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -3.913 14.531 -0.978 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -4.892 10.682 0.572 1.00 0.00 H new ATOM 0 HZ PHE A 54 -5.167 13.130 0.611 1.00 0.00 H new ATOM 714 N LYS A 55 1.397 9.200 -2.687 1.00 0.00 N ATOM 715 CA LYS A 55 2.242 8.246 -3.377 1.00 0.00 C ATOM 716 C LYS A 55 1.522 6.917 -3.486 1.00 0.00 C ATOM 717 O LYS A 55 1.084 6.347 -2.489 1.00 0.00 O ATOM 718 CB LYS A 55 3.570 8.064 -2.637 1.00 0.00 C ATOM 719 CG LYS A 55 4.374 9.346 -2.505 1.00 0.00 C ATOM 720 CD LYS A 55 5.695 9.120 -1.782 1.00 0.00 C ATOM 721 CE LYS A 55 6.651 8.274 -2.605 1.00 0.00 C ATOM 722 NZ LYS A 55 7.988 8.164 -1.962 1.00 0.00 N ATOM 0 H LYS A 55 1.632 9.334 -1.704 1.00 0.00 H new ATOM 0 HA LYS A 55 2.457 8.626 -4.376 1.00 0.00 H new ATOM 0 HB2 LYS A 55 3.370 7.666 -1.642 1.00 0.00 H new ATOM 0 HB3 LYS A 55 4.170 7.321 -3.162 1.00 0.00 H new ATOM 0 HG2 LYS A 55 4.569 9.755 -3.496 1.00 0.00 H new ATOM 0 HG3 LYS A 55 3.787 10.088 -1.964 1.00 0.00 H new ATOM 0 HD2 LYS A 55 6.158 10.082 -1.562 1.00 0.00 H new ATOM 0 HD3 LYS A 55 5.507 8.631 -0.826 1.00 0.00 H new ATOM 0 HE2 LYS A 55 6.230 7.278 -2.740 1.00 0.00 H new ATOM 0 HE3 LYS A 55 6.760 8.711 -3.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 8.611 7.579 -2.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 8.401 9.112 -1.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 7.888 7.724 -1.025 1.00 0.00 H new ATOM 736 N LEU A 56 1.383 6.432 -4.701 1.00 0.00 N ATOM 737 CA LEU A 56 0.693 5.181 -4.929 1.00 0.00 C ATOM 738 C LEU A 56 1.511 4.020 -4.391 1.00 0.00 C ATOM 739 O LEU A 56 2.739 4.009 -4.489 1.00 0.00 O ATOM 740 CB LEU A 56 0.390 4.991 -6.419 1.00 0.00 C ATOM 741 CG LEU A 56 -0.930 5.609 -6.908 1.00 0.00 C ATOM 742 CD1 LEU A 56 -2.112 4.930 -6.239 1.00 0.00 C ATOM 743 CD2 LEU A 56 -0.970 7.103 -6.643 1.00 0.00 C ATOM 0 H LEU A 56 1.738 6.884 -5.544 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.256 5.209 -4.394 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.208 5.421 -6.996 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.374 3.923 -6.636 1.00 0.00 H new ATOM 0 HG LEU A 56 -0.992 5.453 -7.985 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -3.039 5.379 -6.596 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -2.106 3.867 -6.482 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -2.040 5.056 -5.159 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.916 7.511 -7.000 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.877 7.285 -5.572 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -0.146 7.588 -7.166 1.00 0.00 H new ATOM 755 N PHE A 57 0.828 3.061 -3.801 1.00 0.00 N ATOM 756 CA PHE A 57 1.473 1.893 -3.236 1.00 0.00 C ATOM 757 C PHE A 57 0.896 0.627 -3.861 1.00 0.00 C ATOM 758 O PHE A 57 -0.301 0.362 -3.749 1.00 0.00 O ATOM 759 CB PHE A 57 1.287 1.883 -1.716 1.00 0.00 C ATOM 760 CG PHE A 57 2.584 1.912 -0.963 1.00 0.00 C ATOM 761 CD1 PHE A 57 3.241 3.109 -0.707 1.00 0.00 C ATOM 762 CD2 PHE A 57 3.153 0.736 -0.527 1.00 0.00 C ATOM 763 CE1 PHE A 57 4.442 3.117 -0.031 1.00 0.00 C ATOM 764 CE2 PHE A 57 4.352 0.738 0.154 1.00 0.00 C ATOM 765 CZ PHE A 57 4.998 1.930 0.401 1.00 0.00 C ATOM 0 H PHE A 57 -0.187 3.068 -3.700 1.00 0.00 H new ATOM 0 HA PHE A 57 2.540 1.927 -3.454 1.00 0.00 H new ATOM 0 HB2 PHE A 57 0.685 2.744 -1.424 1.00 0.00 H new ATOM 0 HB3 PHE A 57 0.728 0.992 -1.430 1.00 0.00 H new ATOM 0 HD1 PHE A 57 2.807 4.040 -1.040 1.00 0.00 H new ATOM 0 HD2 PHE A 57 2.653 -0.201 -0.721 1.00 0.00 H new ATOM 0 HE1 PHE A 57 4.948 4.052 0.161 1.00 0.00 H new ATOM 0 HE2 PHE A 57 4.784 -0.192 0.493 1.00 0.00 H new ATOM 0 HZ PHE A 57 5.938 1.935 0.932 1.00 0.00 H new ATOM 775 N ILE A 58 1.747 -0.130 -4.542 1.00 0.00 N ATOM 776 CA ILE A 58 1.321 -1.336 -5.245 1.00 0.00 C ATOM 777 C ILE A 58 1.326 -2.526 -4.310 1.00 0.00 C ATOM 778 O ILE A 58 2.283 -2.738 -3.579 1.00 0.00 O ATOM 779 CB ILE A 58 2.255 -1.672 -6.434 1.00 0.00 C ATOM 780 CG1 ILE A 58 2.317 -0.519 -7.422 1.00 0.00 C ATOM 781 CG2 ILE A 58 1.805 -2.941 -7.143 1.00 0.00 C ATOM 782 CD1 ILE A 58 3.317 -0.741 -8.539 1.00 0.00 C ATOM 0 H ILE A 58 2.744 0.071 -4.623 1.00 0.00 H new ATOM 0 HA ILE A 58 0.316 -1.138 -5.616 1.00 0.00 H new ATOM 0 HB ILE A 58 3.253 -1.837 -6.029 1.00 0.00 H new ATOM 0 HG12 ILE A 58 1.328 -0.366 -7.854 1.00 0.00 H new ATOM 0 HG13 ILE A 58 2.576 0.395 -6.888 1.00 0.00 H new ATOM 0 HG21 ILE A 58 2.479 -3.152 -7.973 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.821 -3.775 -6.441 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.792 -2.806 -7.523 1.00 0.00 H new ATOM 0 HD11 ILE A 58 3.311 0.119 -9.209 1.00 0.00 H new ATOM 0 HD12 ILE A 58 4.314 -0.865 -8.116 1.00 0.00 H new ATOM 0 HD13 ILE A 58 3.046 -1.637 -9.097 1.00 0.00 H new ATOM 794 N ILE A 59 0.263 -3.298 -4.326 1.00 0.00 N ATOM 795 CA ILE A 59 0.272 -4.575 -3.659 1.00 0.00 C ATOM 796 C ILE A 59 0.095 -5.661 -4.704 1.00 0.00 C ATOM 797 O ILE A 59 -1.006 -5.886 -5.200 1.00 0.00 O ATOM 798 CB ILE A 59 -0.825 -4.685 -2.579 1.00 0.00 C ATOM 799 CG1 ILE A 59 -0.743 -3.501 -1.610 1.00 0.00 C ATOM 800 CG2 ILE A 59 -0.683 -5.995 -1.817 1.00 0.00 C ATOM 801 CD1 ILE A 59 -1.800 -3.528 -0.522 1.00 0.00 C ATOM 0 H ILE A 59 -0.614 -3.063 -4.792 1.00 0.00 H new ATOM 0 HA ILE A 59 1.225 -4.689 -3.142 1.00 0.00 H new ATOM 0 HB ILE A 59 -1.798 -4.666 -3.070 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.243 -3.491 -1.146 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -0.839 -2.574 -2.175 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -1.463 -6.061 -1.058 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -0.779 -6.831 -2.510 1.00 0.00 H new ATOM 0 HG23 ILE A 59 0.295 -6.033 -1.337 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -1.679 -2.659 0.125 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -2.791 -3.507 -0.976 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -1.691 -4.438 0.068 1.00 0.00 H new ATOM 813 N ARG A 60 1.198 -6.288 -5.081 1.00 0.00 N ATOM 814 CA ARG A 60 1.175 -7.314 -6.111 1.00 0.00 C ATOM 815 C ARG A 60 1.148 -8.703 -5.492 1.00 0.00 C ATOM 816 O ARG A 60 1.660 -8.916 -4.389 1.00 0.00 O ATOM 817 CB ARG A 60 2.365 -7.163 -7.070 1.00 0.00 C ATOM 818 CG ARG A 60 3.711 -6.947 -6.396 1.00 0.00 C ATOM 819 CD ARG A 60 4.827 -6.813 -7.422 1.00 0.00 C ATOM 820 NE ARG A 60 6.086 -6.366 -6.824 1.00 0.00 N ATOM 821 CZ ARG A 60 7.215 -6.187 -7.513 1.00 0.00 C ATOM 822 NH1 ARG A 60 7.248 -6.441 -8.816 1.00 0.00 N ATOM 823 NH2 ARG A 60 8.308 -5.736 -6.903 1.00 0.00 N ATOM 0 H ARG A 60 2.121 -6.104 -4.689 1.00 0.00 H new ATOM 0 HA ARG A 60 0.261 -7.185 -6.691 1.00 0.00 H new ATOM 0 HB2 ARG A 60 2.426 -8.056 -7.692 1.00 0.00 H new ATOM 0 HB3 ARG A 60 2.171 -6.323 -7.737 1.00 0.00 H new ATOM 0 HG2 ARG A 60 3.671 -6.049 -5.779 1.00 0.00 H new ATOM 0 HG3 ARG A 60 3.925 -7.783 -5.730 1.00 0.00 H new ATOM 0 HD2 ARG A 60 4.982 -7.774 -7.913 1.00 0.00 H new ATOM 0 HD3 ARG A 60 4.524 -6.106 -8.194 1.00 0.00 H new ATOM 0 HE ARG A 60 6.101 -6.180 -5.821 1.00 0.00 H new ATOM 0 HH11 ARG A 60 6.409 -6.774 -9.292 1.00 0.00 H new ATOM 0 HH12 ARG A 60 8.112 -6.304 -9.341 1.00 0.00 H new ATOM 0 HH21 ARG A 60 8.285 -5.526 -5.905 1.00 0.00 H new ATOM 0 HH22 ARG A 60 9.169 -5.601 -7.433 1.00 0.00 H new ATOM 837 N GLY A 61 0.543 -9.638 -6.205 1.00 0.00 N ATOM 838 CA GLY A 61 0.368 -10.976 -5.694 1.00 0.00 C ATOM 839 C GLY A 61 -1.021 -11.491 -5.977 1.00 0.00 C ATOM 840 O GLY A 61 -1.714 -10.966 -6.847 1.00 0.00 O ATOM 0 H GLY A 61 0.166 -9.489 -7.141 1.00 0.00 H new ATOM 0 HA2 GLY A 61 1.104 -11.640 -6.147 1.00 0.00 H new ATOM 0 HA3 GLY A 61 0.550 -10.984 -4.619 1.00 0.00 H new ATOM 844 N SER A 62 -1.434 -12.515 -5.252 1.00 0.00 N ATOM 845 CA SER A 62 -2.781 -13.030 -5.373 1.00 0.00 C ATOM 846 C SER A 62 -3.752 -12.096 -4.651 1.00 0.00 C ATOM 847 O SER A 62 -3.462 -11.603 -3.560 1.00 0.00 O ATOM 848 CB SER A 62 -2.845 -14.442 -4.791 1.00 0.00 C ATOM 849 OG SER A 62 -2.209 -14.497 -3.526 1.00 0.00 O ATOM 0 H SER A 62 -0.853 -13.006 -4.573 1.00 0.00 H new ATOM 0 HA SER A 62 -3.066 -13.078 -6.424 1.00 0.00 H new ATOM 0 HB2 SER A 62 -3.885 -14.753 -4.693 1.00 0.00 H new ATOM 0 HB3 SER A 62 -2.366 -15.143 -5.474 1.00 0.00 H new ATOM 0 HG SER A 62 -2.263 -15.409 -3.172 1.00 0.00 H new ATOM 855 N PRO A 63 -4.914 -11.835 -5.276 1.00 0.00 N ATOM 856 CA PRO A 63 -5.900 -10.852 -4.795 1.00 0.00 C ATOM 857 C PRO A 63 -6.319 -11.052 -3.339 1.00 0.00 C ATOM 858 O PRO A 63 -6.674 -10.091 -2.658 1.00 0.00 O ATOM 859 CB PRO A 63 -7.096 -11.070 -5.722 1.00 0.00 C ATOM 860 CG PRO A 63 -6.502 -11.613 -6.972 1.00 0.00 C ATOM 861 CD PRO A 63 -5.352 -12.472 -6.534 1.00 0.00 C ATOM 0 HA PRO A 63 -5.485 -9.844 -4.816 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -7.813 -11.767 -5.288 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -7.629 -10.138 -5.908 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -7.234 -12.194 -7.533 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -6.164 -10.809 -7.626 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -5.659 -13.506 -6.376 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -4.554 -12.486 -7.277 1.00 0.00 H new ATOM 869 N GLN A 64 -6.275 -12.294 -2.867 1.00 0.00 N ATOM 870 CA GLN A 64 -6.653 -12.594 -1.492 1.00 0.00 C ATOM 871 C GLN A 64 -5.541 -12.183 -0.533 1.00 0.00 C ATOM 872 O GLN A 64 -5.798 -11.794 0.608 1.00 0.00 O ATOM 873 CB GLN A 64 -6.970 -14.081 -1.334 1.00 0.00 C ATOM 874 CG GLN A 64 -7.725 -14.405 -0.052 1.00 0.00 C ATOM 875 CD GLN A 64 -9.000 -13.595 0.089 1.00 0.00 C ATOM 876 OE1 GLN A 64 -10.068 -14.001 -0.374 1.00 0.00 O ATOM 877 NE2 GLN A 64 -8.895 -12.443 0.734 1.00 0.00 N ATOM 0 H GLN A 64 -5.983 -13.104 -3.413 1.00 0.00 H new ATOM 0 HA GLN A 64 -7.549 -12.023 -1.250 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -7.561 -14.412 -2.188 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -6.039 -14.647 -1.352 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -7.969 -15.467 -0.036 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -7.079 -14.213 0.805 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -7.991 -12.145 1.101 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -9.718 -11.854 0.863 1.00 0.00 H new ATOM 886 N GLN A 65 -4.307 -12.246 -1.015 1.00 0.00 N ATOM 887 CA GLN A 65 -3.161 -11.794 -0.245 1.00 0.00 C ATOM 888 C GLN A 65 -3.077 -10.278 -0.296 1.00 0.00 C ATOM 889 O GLN A 65 -2.823 -9.628 0.715 1.00 0.00 O ATOM 890 CB GLN A 65 -1.866 -12.403 -0.794 1.00 0.00 C ATOM 891 CG GLN A 65 -1.494 -13.744 -0.182 1.00 0.00 C ATOM 892 CD GLN A 65 -0.368 -14.435 -0.929 1.00 0.00 C ATOM 893 OE1 GLN A 65 0.480 -13.657 -1.581 1.00 0.00 O flip ATOM 894 NE2 GLN A 65 -0.271 -15.660 -0.935 1.00 0.00 N flip ATOM 0 H GLN A 65 -4.076 -12.608 -1.940 1.00 0.00 H new ATOM 0 HA GLN A 65 -3.286 -12.118 0.788 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -1.965 -12.525 -1.873 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -1.049 -11.701 -0.626 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -1.198 -13.596 0.857 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -2.371 -14.391 -0.174 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -0.944 -16.227 -0.420 1.00 0.00 H new ATOM 0 HE22 GLN A 65 0.483 -16.109 -1.455 1.00 0.00 H new ATOM 903 N ILE A 66 -3.295 -9.733 -1.491 1.00 0.00 N ATOM 904 CA ILE A 66 -3.325 -8.288 -1.696 1.00 0.00 C ATOM 905 C ILE A 66 -4.276 -7.607 -0.716 1.00 0.00 C ATOM 906 O ILE A 66 -3.860 -6.746 0.062 1.00 0.00 O ATOM 907 CB ILE A 66 -3.755 -7.934 -3.134 1.00 0.00 C ATOM 908 CG1 ILE A 66 -2.745 -8.493 -4.137 1.00 0.00 C ATOM 909 CG2 ILE A 66 -3.907 -6.426 -3.294 1.00 0.00 C ATOM 910 CD1 ILE A 66 -3.074 -8.162 -5.574 1.00 0.00 C ATOM 0 H ILE A 66 -3.455 -10.277 -2.339 1.00 0.00 H new ATOM 0 HA ILE A 66 -2.311 -7.927 -1.524 1.00 0.00 H new ATOM 0 HB ILE A 66 -4.725 -8.390 -3.332 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -1.756 -8.102 -3.900 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -2.695 -9.576 -4.025 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -4.211 -6.197 -4.316 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -4.664 -6.061 -2.600 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -2.955 -5.940 -3.081 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.315 -8.590 -6.229 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -4.049 -8.577 -5.829 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -3.095 -7.080 -5.702 1.00 0.00 H new ATOM 922 N ASP A 67 -5.545 -8.007 -0.742 1.00 0.00 N ATOM 923 CA ASP A 67 -6.549 -7.393 0.117 1.00 0.00 C ATOM 924 C ASP A 67 -6.207 -7.590 1.583 1.00 0.00 C ATOM 925 O ASP A 67 -6.425 -6.701 2.401 1.00 0.00 O ATOM 926 CB ASP A 67 -7.943 -7.954 -0.155 1.00 0.00 C ATOM 927 CG ASP A 67 -8.978 -7.387 0.804 1.00 0.00 C ATOM 928 OD1 ASP A 67 -9.453 -6.253 0.577 1.00 0.00 O ATOM 929 OD2 ASP A 67 -9.316 -8.067 1.797 1.00 0.00 O ATOM 0 H ASP A 67 -5.899 -8.749 -1.345 1.00 0.00 H new ATOM 0 HA ASP A 67 -6.551 -6.327 -0.113 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -8.233 -7.724 -1.180 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -7.921 -9.040 -0.066 1.00 0.00 H new ATOM 934 N HIS A 68 -5.662 -8.753 1.916 1.00 0.00 N ATOM 935 CA HIS A 68 -5.306 -9.035 3.296 1.00 0.00 C ATOM 936 C HIS A 68 -4.220 -8.067 3.757 1.00 0.00 C ATOM 937 O HIS A 68 -4.321 -7.490 4.832 1.00 0.00 O ATOM 938 CB HIS A 68 -4.843 -10.485 3.466 1.00 0.00 C ATOM 939 CG HIS A 68 -5.060 -11.015 4.854 1.00 0.00 C ATOM 940 ND1 HIS A 68 -5.186 -12.356 5.141 1.00 0.00 N ATOM 941 CD2 HIS A 68 -5.205 -10.368 6.037 1.00 0.00 C ATOM 942 CE1 HIS A 68 -5.397 -12.508 6.436 1.00 0.00 C ATOM 943 NE2 HIS A 68 -5.412 -11.317 7.002 1.00 0.00 N ATOM 0 H HIS A 68 -5.460 -9.506 1.258 1.00 0.00 H new ATOM 0 HA HIS A 68 -6.193 -8.899 3.915 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -5.377 -11.116 2.755 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -3.783 -10.553 3.219 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -5.165 -9.300 6.190 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -5.534 -13.450 6.946 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -5.554 -11.133 7.995 1.00 0.00 H new ATOM 952 N ALA A 69 -3.204 -7.874 2.920 1.00 0.00 N ATOM 953 CA ALA A 69 -2.133 -6.923 3.217 1.00 0.00 C ATOM 954 C ALA A 69 -2.700 -5.518 3.328 1.00 0.00 C ATOM 955 O ALA A 69 -2.328 -4.748 4.214 1.00 0.00 O ATOM 956 CB ALA A 69 -1.056 -6.981 2.144 1.00 0.00 C ATOM 0 H ALA A 69 -3.099 -8.363 2.031 1.00 0.00 H new ATOM 0 HA ALA A 69 -1.679 -7.193 4.171 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.267 -6.267 2.381 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -0.636 -7.986 2.104 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -1.492 -6.732 1.177 1.00 0.00 H new ATOM 962 N LYS A 70 -3.609 -5.210 2.420 1.00 0.00 N ATOM 963 CA LYS A 70 -4.348 -3.959 2.436 1.00 0.00 C ATOM 964 C LYS A 70 -5.038 -3.745 3.788 1.00 0.00 C ATOM 965 O LYS A 70 -5.069 -2.632 4.297 1.00 0.00 O ATOM 966 CB LYS A 70 -5.360 -3.981 1.284 1.00 0.00 C ATOM 967 CG LYS A 70 -6.563 -3.070 1.455 1.00 0.00 C ATOM 968 CD LYS A 70 -7.533 -3.238 0.295 1.00 0.00 C ATOM 969 CE LYS A 70 -8.949 -2.850 0.679 1.00 0.00 C ATOM 970 NZ LYS A 70 -9.502 -3.757 1.716 1.00 0.00 N ATOM 0 H LYS A 70 -3.857 -5.825 1.645 1.00 0.00 H new ATOM 0 HA LYS A 70 -3.664 -3.122 2.300 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -4.844 -3.704 0.365 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -5.715 -5.003 1.155 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -7.068 -3.298 2.394 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -6.234 -2.032 1.514 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -7.204 -2.626 -0.545 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -7.520 -4.275 -0.042 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -8.958 -1.825 1.049 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -9.586 -2.876 -0.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -10.540 -3.694 1.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -9.214 -4.735 1.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -9.140 -3.478 2.650 1.00 0.00 H new ATOM 984 N GLN A 71 -5.556 -4.825 4.371 1.00 0.00 N ATOM 985 CA GLN A 71 -6.232 -4.762 5.668 1.00 0.00 C ATOM 986 C GLN A 71 -5.286 -4.282 6.769 1.00 0.00 C ATOM 987 O GLN A 71 -5.616 -3.365 7.519 1.00 0.00 O ATOM 988 CB GLN A 71 -6.804 -6.127 6.044 1.00 0.00 C ATOM 989 CG GLN A 71 -7.904 -6.611 5.116 1.00 0.00 C ATOM 990 CD GLN A 71 -8.354 -8.017 5.449 1.00 0.00 C ATOM 991 OE1 GLN A 71 -8.278 -8.446 6.601 1.00 0.00 O ATOM 992 NE2 GLN A 71 -8.819 -8.752 4.450 1.00 0.00 N ATOM 0 H GLN A 71 -5.520 -5.759 3.964 1.00 0.00 H new ATOM 0 HA GLN A 71 -7.046 -4.043 5.575 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -5.997 -6.860 6.048 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -7.195 -6.079 7.060 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -8.756 -5.934 5.180 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -7.549 -6.579 4.086 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -8.867 -8.362 3.509 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -9.129 -9.708 4.622 1.00 0.00 H new ATOM 1001 N LEU A 72 -4.115 -4.913 6.871 1.00 0.00 N ATOM 1002 CA LEU A 72 -3.101 -4.494 7.831 1.00 0.00 C ATOM 1003 C LEU A 72 -2.781 -3.006 7.681 1.00 0.00 C ATOM 1004 O LEU A 72 -2.529 -2.314 8.667 1.00 0.00 O ATOM 1005 CB LEU A 72 -1.818 -5.323 7.673 1.00 0.00 C ATOM 1006 CG LEU A 72 -1.943 -6.798 8.070 1.00 0.00 C ATOM 1007 CD1 LEU A 72 -2.332 -7.660 6.891 1.00 0.00 C ATOM 1008 CD2 LEU A 72 -0.649 -7.310 8.683 1.00 0.00 C ATOM 0 H LEU A 72 -3.849 -5.715 6.300 1.00 0.00 H new ATOM 0 HA LEU A 72 -3.506 -4.663 8.829 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.495 -5.269 6.633 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -1.033 -4.866 8.275 1.00 0.00 H new ATOM 0 HG LEU A 72 -2.735 -6.863 8.816 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -2.411 -8.699 7.210 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -3.293 -7.327 6.498 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -1.573 -7.576 6.113 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -0.766 -8.359 8.956 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.160 -7.211 7.960 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -0.413 -6.728 9.574 1.00 0.00 H new ATOM 1020 N ILE A 73 -2.805 -2.523 6.446 1.00 0.00 N ATOM 1021 CA ILE A 73 -2.555 -1.115 6.156 1.00 0.00 C ATOM 1022 C ILE A 73 -3.745 -0.255 6.581 1.00 0.00 C ATOM 1023 O ILE A 73 -3.576 0.812 7.176 1.00 0.00 O ATOM 1024 CB ILE A 73 -2.289 -0.904 4.646 1.00 0.00 C ATOM 1025 CG1 ILE A 73 -1.079 -1.731 4.202 1.00 0.00 C ATOM 1026 CG2 ILE A 73 -2.078 0.568 4.330 1.00 0.00 C ATOM 1027 CD1 ILE A 73 -0.783 -1.632 2.721 1.00 0.00 C ATOM 0 H ILE A 73 -2.997 -3.091 5.621 1.00 0.00 H new ATOM 0 HA ILE A 73 -1.673 -0.814 6.721 1.00 0.00 H new ATOM 0 HB ILE A 73 -3.165 -1.242 4.093 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -0.202 -1.404 4.761 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -1.250 -2.776 4.460 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -1.893 0.688 3.263 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -2.968 1.131 4.610 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -1.221 0.941 4.891 1.00 0.00 H new ATOM 0 HD11 ILE A 73 0.087 -2.244 2.482 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -1.643 -1.987 2.153 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -0.579 -0.594 2.459 1.00 0.00 H new ATOM 1039 N GLU A 74 -4.946 -0.739 6.285 1.00 0.00 N ATOM 1040 CA GLU A 74 -6.176 -0.042 6.640 1.00 0.00 C ATOM 1041 C GLU A 74 -6.322 0.078 8.152 1.00 0.00 C ATOM 1042 O GLU A 74 -7.008 0.964 8.642 1.00 0.00 O ATOM 1043 CB GLU A 74 -7.392 -0.754 6.033 1.00 0.00 C ATOM 1044 CG GLU A 74 -7.467 -0.619 4.520 1.00 0.00 C ATOM 1045 CD GLU A 74 -8.624 -1.383 3.901 1.00 0.00 C ATOM 1046 OE1 GLU A 74 -8.716 -2.615 4.101 1.00 0.00 O ATOM 1047 OE2 GLU A 74 -9.432 -0.764 3.176 1.00 0.00 O ATOM 0 H GLU A 74 -5.094 -1.621 5.795 1.00 0.00 H new ATOM 0 HA GLU A 74 -6.124 0.966 6.228 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -7.356 -1.811 6.296 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -8.302 -0.347 6.474 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -7.559 0.436 4.261 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -6.533 -0.974 4.085 1.00 0.00 H new ATOM 1054 N GLU A 75 -5.674 -0.810 8.891 1.00 0.00 N ATOM 1055 CA GLU A 75 -5.672 -0.722 10.345 1.00 0.00 C ATOM 1056 C GLU A 75 -4.590 0.250 10.816 1.00 0.00 C ATOM 1057 O GLU A 75 -4.750 0.922 11.830 1.00 0.00 O ATOM 1058 CB GLU A 75 -5.456 -2.108 10.960 1.00 0.00 C ATOM 1059 CG GLU A 75 -5.688 -2.157 12.463 1.00 0.00 C ATOM 1060 CD GLU A 75 -7.094 -1.739 12.847 1.00 0.00 C ATOM 1061 OE1 GLU A 75 -8.052 -2.434 12.454 1.00 0.00 O ATOM 1062 OE2 GLU A 75 -7.247 -0.712 13.538 1.00 0.00 O ATOM 0 H GLU A 75 -5.146 -1.596 8.512 1.00 0.00 H new ATOM 0 HA GLU A 75 -6.640 -0.345 10.675 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -6.126 -2.818 10.475 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -4.438 -2.434 10.748 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -5.502 -3.169 12.823 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -4.970 -1.505 12.960 1.00 0.00 H new ATOM 1069 N LYS A 76 -3.492 0.328 10.069 1.00 0.00 N ATOM 1070 CA LYS A 76 -2.436 1.291 10.374 1.00 0.00 C ATOM 1071 C LYS A 76 -2.970 2.710 10.274 1.00 0.00 C ATOM 1072 O LYS A 76 -2.727 3.548 11.142 1.00 0.00 O ATOM 1073 CB LYS A 76 -1.260 1.163 9.406 1.00 0.00 C ATOM 1074 CG LYS A 76 -0.499 -0.146 9.480 1.00 0.00 C ATOM 1075 CD LYS A 76 -0.017 -0.428 10.888 1.00 0.00 C ATOM 1076 CE LYS A 76 1.040 -1.518 10.908 1.00 0.00 C ATOM 1077 NZ LYS A 76 0.532 -2.808 10.379 1.00 0.00 N ATOM 0 H LYS A 76 -3.310 -0.258 9.254 1.00 0.00 H new ATOM 0 HA LYS A 76 -2.096 1.078 11.387 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -1.632 1.291 8.389 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -0.564 1.980 9.596 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -1.140 -0.961 9.144 1.00 0.00 H new ATOM 0 HG3 LYS A 76 0.354 -0.111 8.802 1.00 0.00 H new ATOM 0 HD2 LYS A 76 0.392 0.484 11.323 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -0.861 -0.727 11.509 1.00 0.00 H new ATOM 0 HE2 LYS A 76 1.898 -1.199 10.317 1.00 0.00 H new ATOM 0 HE3 LYS A 76 1.392 -1.661 11.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 1.261 -3.541 10.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -0.322 -3.086 10.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 0.300 -2.702 9.371 1.00 0.00 H new ATOM 1091 N ILE A 77 -3.692 2.967 9.196 1.00 0.00 N ATOM 1092 CA ILE A 77 -4.212 4.294 8.919 1.00 0.00 C ATOM 1093 C ILE A 77 -5.620 4.458 9.481 1.00 0.00 C ATOM 1094 O ILE A 77 -6.161 5.564 9.539 1.00 0.00 O ATOM 1095 CB ILE A 77 -4.240 4.571 7.400 1.00 0.00 C ATOM 1096 CG1 ILE A 77 -5.261 3.661 6.709 1.00 0.00 C ATOM 1097 CG2 ILE A 77 -2.855 4.360 6.805 1.00 0.00 C ATOM 1098 CD1 ILE A 77 -5.406 3.923 5.227 1.00 0.00 C ATOM 0 H ILE A 77 -3.932 2.267 8.494 1.00 0.00 H new ATOM 0 HA ILE A 77 -3.547 5.009 9.403 1.00 0.00 H new ATOM 0 HB ILE A 77 -4.537 5.607 7.239 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -4.967 2.622 6.858 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -6.232 3.790 7.188 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -2.885 4.558 5.734 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -2.148 5.040 7.280 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -2.539 3.331 6.975 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -6.146 3.241 4.808 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -5.730 4.952 5.069 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -4.447 3.766 4.734 1.00 0.00 H new ATOM 1110 N GLU A 78 -6.192 3.322 9.890 1.00 0.00 N ATOM 1111 CA GLU A 78 -7.553 3.233 10.412 1.00 0.00 C ATOM 1112 C GLU A 78 -8.559 3.790 9.407 1.00 0.00 C ATOM 1113 O GLU A 78 -9.365 4.663 9.731 1.00 0.00 O ATOM 1114 CB GLU A 78 -7.688 3.950 11.754 1.00 0.00 C ATOM 1115 CG GLU A 78 -6.518 3.731 12.699 1.00 0.00 C ATOM 1116 CD GLU A 78 -6.721 4.418 14.029 1.00 0.00 C ATOM 1117 OE1 GLU A 78 -6.713 5.667 14.068 1.00 0.00 O ATOM 1118 OE2 GLU A 78 -6.898 3.714 15.044 1.00 0.00 O ATOM 0 H GLU A 78 -5.711 2.423 9.866 1.00 0.00 H new ATOM 0 HA GLU A 78 -7.771 2.177 10.574 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -7.798 5.019 11.572 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -8.603 3.614 12.242 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -6.380 2.662 12.862 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -5.604 4.103 12.236 1.00 0.00 H new ATOM 1125 N GLY A 79 -8.509 3.272 8.189 1.00 0.00 N ATOM 1126 CA GLY A 79 -9.378 3.754 7.136 1.00 0.00 C ATOM 1127 C GLY A 79 -9.341 2.869 5.910 1.00 0.00 C ATOM 1128 O GLY A 79 -8.288 2.337 5.566 1.00 0.00 O ATOM 0 H GLY A 79 -7.877 2.521 7.910 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -10.400 3.811 7.509 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -9.083 4.766 6.860 1.00 0.00 H new ATOM 1132 N PRO A 80 -10.482 2.694 5.232 1.00 0.00 N ATOM 1133 CA PRO A 80 -10.556 1.902 4.004 1.00 0.00 C ATOM 1134 C PRO A 80 -9.825 2.573 2.842 1.00 0.00 C ATOM 1135 O PRO A 80 -9.970 3.777 2.615 1.00 0.00 O ATOM 1136 CB PRO A 80 -12.059 1.822 3.720 1.00 0.00 C ATOM 1137 CG PRO A 80 -12.637 3.015 4.399 1.00 0.00 C ATOM 1138 CD PRO A 80 -11.792 3.247 5.617 1.00 0.00 C ATOM 0 HA PRO A 80 -10.081 0.927 4.116 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -12.261 1.840 2.649 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -12.487 0.898 4.110 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -12.621 3.884 3.742 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -13.678 2.842 4.673 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -11.724 4.307 5.864 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -12.200 2.741 6.492 1.00 0.00 H new ATOM 1146 N LEU A 81 -9.044 1.796 2.109 1.00 0.00 N ATOM 1147 CA LEU A 81 -8.276 2.331 0.995 1.00 0.00 C ATOM 1148 C LEU A 81 -8.979 2.098 -0.333 1.00 0.00 C ATOM 1149 O LEU A 81 -9.674 1.100 -0.522 1.00 0.00 O ATOM 1150 CB LEU A 81 -6.869 1.732 0.964 1.00 0.00 C ATOM 1151 CG LEU A 81 -5.882 2.377 1.937 1.00 0.00 C ATOM 1152 CD1 LEU A 81 -4.509 1.732 1.822 1.00 0.00 C ATOM 1153 CD2 LEU A 81 -5.792 3.871 1.672 1.00 0.00 C ATOM 0 H LEU A 81 -8.925 0.795 2.264 1.00 0.00 H new ATOM 0 HA LEU A 81 -8.193 3.407 1.146 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -6.936 0.667 1.188 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -6.473 1.821 -0.047 1.00 0.00 H new ATOM 0 HG LEU A 81 -6.244 2.220 2.953 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -3.824 2.207 2.524 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -4.586 0.670 2.053 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -4.133 1.856 0.807 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -5.087 4.322 2.370 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -5.450 4.039 0.651 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -6.774 4.324 1.805 1.00 0.00 H new ATOM 1165 N CYS A 82 -8.791 3.041 -1.242 1.00 0.00 N ATOM 1166 CA CYS A 82 -9.390 2.973 -2.562 1.00 0.00 C ATOM 1167 C CYS A 82 -8.385 2.441 -3.579 1.00 0.00 C ATOM 1168 O CYS A 82 -7.242 2.903 -3.628 1.00 0.00 O ATOM 1169 CB CYS A 82 -9.867 4.364 -2.984 1.00 0.00 C ATOM 1170 SG CYS A 82 -11.071 5.107 -1.854 1.00 0.00 S ATOM 0 H CYS A 82 -8.221 3.872 -1.085 1.00 0.00 H new ATOM 0 HA CYS A 82 -10.241 2.293 -2.525 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -9.003 5.024 -3.063 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -10.310 4.299 -3.978 1.00 0.00 H new ATOM 0 HG CYS A 82 -11.412 6.282 -2.294 1.00 0.00 H new ATOM 1176 N PRO A 83 -8.790 1.444 -4.385 1.00 0.00 N ATOM 1177 CA PRO A 83 -7.954 0.909 -5.463 1.00 0.00 C ATOM 1178 C PRO A 83 -7.770 1.927 -6.588 1.00 0.00 C ATOM 1179 O PRO A 83 -8.729 2.314 -7.257 1.00 0.00 O ATOM 1180 CB PRO A 83 -8.731 -0.316 -5.953 1.00 0.00 C ATOM 1181 CG PRO A 83 -10.145 -0.062 -5.559 1.00 0.00 C ATOM 1182 CD PRO A 83 -10.092 0.758 -4.299 1.00 0.00 C ATOM 0 HA PRO A 83 -6.946 0.666 -5.126 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -8.638 -0.436 -7.032 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -8.353 -1.231 -5.497 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -10.678 0.470 -6.347 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -10.676 -0.999 -5.391 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -10.917 1.469 -4.248 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -10.157 0.131 -3.410 1.00 0.00 H new ATOM 1190 N VAL A 84 -6.539 2.359 -6.784 1.00 0.00 N ATOM 1191 CA VAL A 84 -6.239 3.389 -7.762 1.00 0.00 C ATOM 1192 C VAL A 84 -5.513 2.790 -8.962 1.00 0.00 C ATOM 1193 O VAL A 84 -4.700 1.877 -8.813 1.00 0.00 O ATOM 1194 CB VAL A 84 -5.359 4.499 -7.147 1.00 0.00 C ATOM 1195 CG1 VAL A 84 -5.204 5.669 -8.107 1.00 0.00 C ATOM 1196 CG2 VAL A 84 -5.930 4.966 -5.819 1.00 0.00 C ATOM 0 H VAL A 84 -5.726 2.011 -6.276 1.00 0.00 H new ATOM 0 HA VAL A 84 -7.186 3.822 -8.084 1.00 0.00 H new ATOM 0 HB VAL A 84 -4.369 4.080 -6.965 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -4.580 6.436 -7.648 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -4.736 5.324 -9.029 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -6.185 6.087 -8.333 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -5.294 5.748 -5.404 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -6.935 5.359 -5.973 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -5.972 4.126 -5.125 1.00 0.00 H new ATOM 1206 N GLY A 85 -5.819 3.300 -10.143 1.00 0.00 N ATOM 1207 CA GLY A 85 -5.140 2.862 -11.341 1.00 0.00 C ATOM 1208 C GLY A 85 -5.076 3.965 -12.376 1.00 0.00 C ATOM 1209 O GLY A 85 -5.957 4.828 -12.412 1.00 0.00 O ATOM 0 H GLY A 85 -6.531 4.015 -10.293 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -4.130 2.538 -11.090 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -5.658 1.999 -11.759 1.00 0.00 H new