USER MOD reduce.3.24.130724 H: found=0, std=0, add=480, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 480 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -163:sc= 0 (180deg=-0.342) USER MOD Single : A 3 GLN : amide:sc= -0.0371 K(o=-0.037,f=-1.4) USER MOD Single : A 4 CYS SG : rot 180:sc= -2.94 USER MOD Single : A 5 LYS NZ :NH3+ 156:sc= 0 (180deg=-0.0245) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -0.0413 K(o=-0.041,f=-1.3) USER MOD Single : A 14 ASN : amide:sc= -0.621 X(o=-0.62,f=-0.41) USER MOD Single : A 21 LYS NZ :NH3+ 150:sc= -0.161 (180deg=-0.87) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -0.221 X(o=-0.22,f=-0.067) USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 152:sc= 2.09 USER MOD Single : A 51 ASN :FLIP amide:sc= 0.621 F(o=0,f=0.62) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.215 13.298 4.025 1.00 0.00 N ATOM 2 CA MET A 1 0.254 13.459 5.147 1.00 0.00 C ATOM 3 C MET A 1 -0.269 12.107 5.623 1.00 0.00 C ATOM 4 O MET A 1 -0.010 11.692 6.752 1.00 0.00 O ATOM 5 CB MET A 1 -0.905 14.338 4.675 1.00 0.00 C ATOM 6 CG MET A 1 -0.457 15.599 3.954 1.00 0.00 C ATOM 7 SD MET A 1 -1.669 16.930 4.063 1.00 0.00 S ATOM 8 CE MET A 1 -0.639 18.281 4.627 1.00 0.00 C ATOM 0 H1 MET A 1 1.765 14.173 3.911 1.00 0.00 H new ATOM 0 H2 MET A 1 1.859 12.508 4.230 1.00 0.00 H new ATOM 0 H3 MET A 1 0.694 13.100 3.147 1.00 0.00 H new ATOM 0 HA MET A 1 0.762 13.929 5.989 1.00 0.00 H new ATOM 0 HB2 MET A 1 -1.544 13.757 4.010 1.00 0.00 H new ATOM 0 HB3 MET A 1 -1.512 14.618 5.536 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.488 15.938 4.377 1.00 0.00 H new ATOM 0 HG3 MET A 1 -0.272 15.367 2.905 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.247 19.178 4.742 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.190 18.021 5.586 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.148 18.468 3.897 1.00 0.00 H new ATOM 20 N ARG A 2 -1.005 11.424 4.752 1.00 0.00 N ATOM 21 CA ARG A 2 -1.563 10.118 5.082 1.00 0.00 C ATOM 22 C ARG A 2 -0.727 9.001 4.466 1.00 0.00 C ATOM 23 O ARG A 2 -0.692 8.840 3.246 1.00 0.00 O ATOM 24 CB ARG A 2 -3.009 10.019 4.591 1.00 0.00 C ATOM 25 CG ARG A 2 -3.731 8.772 5.075 1.00 0.00 C ATOM 26 CD ARG A 2 -4.467 8.076 3.942 1.00 0.00 C ATOM 27 NE ARG A 2 -5.493 8.930 3.347 1.00 0.00 N ATOM 28 CZ ARG A 2 -6.484 8.478 2.583 1.00 0.00 C ATOM 29 NH1 ARG A 2 -6.588 7.181 2.319 1.00 0.00 N ATOM 30 NH2 ARG A 2 -7.374 9.323 2.082 1.00 0.00 N ATOM 0 H ARG A 2 -1.229 11.753 3.813 1.00 0.00 H new ATOM 0 HA ARG A 2 -1.547 10.006 6.166 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -3.558 10.899 4.924 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -3.016 10.033 3.501 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -3.012 8.084 5.519 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -4.439 9.042 5.858 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -3.752 7.780 3.174 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -4.929 7.163 4.317 1.00 0.00 H new ATOM 0 HE ARG A 2 -5.447 9.933 3.528 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -5.906 6.526 2.702 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -7.350 6.839 1.733 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -7.299 10.320 2.282 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -8.134 8.976 1.496 1.00 0.00 H new ATOM 44 N GLN A 3 -0.053 8.234 5.317 1.00 0.00 N ATOM 45 CA GLN A 3 0.784 7.134 4.852 1.00 0.00 C ATOM 46 C GLN A 3 0.607 5.900 5.731 1.00 0.00 C ATOM 47 O GLN A 3 0.297 6.009 6.918 1.00 0.00 O ATOM 48 CB GLN A 3 2.254 7.556 4.838 1.00 0.00 C ATOM 49 CG GLN A 3 2.491 8.921 4.215 1.00 0.00 C ATOM 50 CD GLN A 3 3.820 9.526 4.623 1.00 0.00 C ATOM 51 OE1 GLN A 3 4.585 8.921 5.375 1.00 0.00 O ATOM 52 NE2 GLN A 3 4.102 10.725 4.129 1.00 0.00 N ATOM 0 H GLN A 3 -0.070 8.354 6.330 1.00 0.00 H new ATOM 0 HA GLN A 3 0.474 6.881 3.838 1.00 0.00 H new ATOM 0 HB2 GLN A 3 2.631 7.563 5.861 1.00 0.00 H new ATOM 0 HB3 GLN A 3 2.832 6.811 4.290 1.00 0.00 H new ATOM 0 HG2 GLN A 3 2.455 8.832 3.129 1.00 0.00 H new ATOM 0 HG3 GLN A 3 1.685 9.594 4.507 1.00 0.00 H new ATOM 0 HE21 GLN A 3 3.439 11.190 3.509 1.00 0.00 H new ATOM 0 HE22 GLN A 3 4.982 11.181 4.369 1.00 0.00 H new ATOM 61 N CYS A 4 0.808 4.729 5.138 1.00 0.00 N ATOM 62 CA CYS A 4 0.675 3.468 5.860 1.00 0.00 C ATOM 63 C CYS A 4 1.683 2.448 5.342 1.00 0.00 C ATOM 64 O CYS A 4 2.022 2.446 4.159 1.00 0.00 O ATOM 65 CB CYS A 4 -0.746 2.917 5.716 1.00 0.00 C ATOM 66 SG CYS A 4 -2.046 4.161 5.901 1.00 0.00 S ATOM 0 H CYS A 4 1.064 4.626 4.156 1.00 0.00 H new ATOM 0 HA CYS A 4 0.875 3.655 6.915 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -0.844 2.448 4.737 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -0.898 2.136 6.461 1.00 0.00 H new ATOM 0 HG CYS A 4 -3.209 3.597 5.761 1.00 0.00 H new ATOM 72 N LYS A 5 2.161 1.581 6.231 1.00 0.00 N ATOM 73 CA LYS A 5 3.132 0.563 5.847 1.00 0.00 C ATOM 74 C LYS A 5 2.597 -0.843 6.102 1.00 0.00 C ATOM 75 O LYS A 5 2.170 -1.167 7.206 1.00 0.00 O ATOM 76 CB LYS A 5 4.441 0.766 6.612 1.00 0.00 C ATOM 77 CG LYS A 5 4.268 0.770 8.123 1.00 0.00 C ATOM 78 CD LYS A 5 5.134 -0.287 8.790 1.00 0.00 C ATOM 79 CE LYS A 5 5.453 0.081 10.230 1.00 0.00 C ATOM 80 NZ LYS A 5 6.530 1.106 10.315 1.00 0.00 N ATOM 0 H LYS A 5 1.894 1.563 7.215 1.00 0.00 H new ATOM 0 HA LYS A 5 3.317 0.667 4.778 1.00 0.00 H new ATOM 0 HB2 LYS A 5 5.139 -0.024 6.337 1.00 0.00 H new ATOM 0 HB3 LYS A 5 4.890 1.710 6.303 1.00 0.00 H new ATOM 0 HG2 LYS A 5 4.526 1.753 8.516 1.00 0.00 H new ATOM 0 HG3 LYS A 5 3.221 0.592 8.370 1.00 0.00 H new ATOM 0 HD2 LYS A 5 4.621 -1.248 8.764 1.00 0.00 H new ATOM 0 HD3 LYS A 5 6.061 -0.406 8.230 1.00 0.00 H new ATOM 0 HE2 LYS A 5 4.553 0.458 10.716 1.00 0.00 H new ATOM 0 HE3 LYS A 5 5.758 -0.813 10.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 6.449 1.620 11.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 7.458 0.639 10.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 6.436 1.775 9.524 1.00 0.00 H new ATOM 94 N VAL A 6 2.636 -1.670 5.065 1.00 0.00 N ATOM 95 CA VAL A 6 2.168 -3.050 5.145 1.00 0.00 C ATOM 96 C VAL A 6 2.976 -3.848 6.163 1.00 0.00 C ATOM 97 O VAL A 6 4.183 -3.652 6.302 1.00 0.00 O ATOM 98 CB VAL A 6 2.268 -3.763 3.779 1.00 0.00 C ATOM 99 CG1 VAL A 6 1.420 -5.023 3.774 1.00 0.00 C ATOM 100 CG2 VAL A 6 1.865 -2.834 2.638 1.00 0.00 C ATOM 0 H VAL A 6 2.992 -1.405 4.147 1.00 0.00 H new ATOM 0 HA VAL A 6 1.124 -3.005 5.455 1.00 0.00 H new ATOM 0 HB VAL A 6 3.309 -4.046 3.622 1.00 0.00 H new ATOM 0 HG11 VAL A 6 1.502 -5.513 2.804 1.00 0.00 H new ATOM 0 HG12 VAL A 6 1.770 -5.700 4.553 1.00 0.00 H new ATOM 0 HG13 VAL A 6 0.379 -4.761 3.961 1.00 0.00 H new ATOM 0 HG21 VAL A 6 1.946 -3.366 1.690 1.00 0.00 H new ATOM 0 HG22 VAL A 6 0.836 -2.505 2.783 1.00 0.00 H new ATOM 0 HG23 VAL A 6 2.525 -1.966 2.625 1.00 0.00 H new ATOM 110 N LEU A 7 2.304 -4.753 6.870 1.00 0.00 N ATOM 111 CA LEU A 7 2.966 -5.584 7.870 1.00 0.00 C ATOM 112 C LEU A 7 3.413 -6.916 7.268 1.00 0.00 C ATOM 113 O LEU A 7 4.324 -7.564 7.783 1.00 0.00 O ATOM 114 CB LEU A 7 2.039 -5.830 9.066 1.00 0.00 C ATOM 115 CG LEU A 7 0.697 -6.491 8.737 1.00 0.00 C ATOM 116 CD1 LEU A 7 0.895 -7.953 8.369 1.00 0.00 C ATOM 117 CD2 LEU A 7 -0.262 -6.362 9.912 1.00 0.00 C ATOM 0 H LEU A 7 1.304 -4.929 6.769 1.00 0.00 H new ATOM 0 HA LEU A 7 3.851 -5.050 8.216 1.00 0.00 H new ATOM 0 HB2 LEU A 7 2.565 -6.455 9.788 1.00 0.00 H new ATOM 0 HB3 LEU A 7 1.844 -4.875 9.554 1.00 0.00 H new ATOM 0 HG LEU A 7 0.263 -5.978 7.879 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -0.070 -8.404 8.139 1.00 0.00 H new ATOM 0 HD12 LEU A 7 1.546 -8.024 7.497 1.00 0.00 H new ATOM 0 HD13 LEU A 7 1.352 -8.480 9.207 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -1.211 -6.837 9.661 1.00 0.00 H new ATOM 0 HD22 LEU A 7 0.168 -6.849 10.787 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -0.431 -5.307 10.130 1.00 0.00 H new ATOM 129 N PHE A 8 2.765 -7.322 6.177 1.00 0.00 N ATOM 130 CA PHE A 8 3.100 -8.579 5.512 1.00 0.00 C ATOM 131 C PHE A 8 3.658 -8.327 4.114 1.00 0.00 C ATOM 132 O PHE A 8 3.759 -7.184 3.670 1.00 0.00 O ATOM 133 CB PHE A 8 1.866 -9.482 5.422 1.00 0.00 C ATOM 134 CG PHE A 8 1.876 -10.610 6.413 1.00 0.00 C ATOM 135 CD1 PHE A 8 2.915 -11.526 6.428 1.00 0.00 C ATOM 136 CD2 PHE A 8 0.846 -10.755 7.329 1.00 0.00 C ATOM 137 CE1 PHE A 8 2.928 -12.566 7.339 1.00 0.00 C ATOM 138 CE2 PHE A 8 0.853 -11.793 8.242 1.00 0.00 C ATOM 139 CZ PHE A 8 1.896 -12.699 8.247 1.00 0.00 C ATOM 0 H PHE A 8 2.007 -6.800 5.736 1.00 0.00 H new ATOM 0 HA PHE A 8 3.866 -9.078 6.106 1.00 0.00 H new ATOM 0 HB2 PHE A 8 0.972 -8.879 5.579 1.00 0.00 H new ATOM 0 HB3 PHE A 8 1.800 -9.894 4.415 1.00 0.00 H new ATOM 0 HD1 PHE A 8 3.724 -11.427 5.720 1.00 0.00 H new ATOM 0 HD2 PHE A 8 0.029 -10.049 7.329 1.00 0.00 H new ATOM 0 HE1 PHE A 8 3.744 -13.273 7.341 1.00 0.00 H new ATOM 0 HE2 PHE A 8 0.044 -11.896 8.950 1.00 0.00 H new ATOM 0 HZ PHE A 8 1.904 -13.510 8.960 1.00 0.00 H new ATOM 149 N GLU A 9 4.015 -9.406 3.426 1.00 0.00 N ATOM 150 CA GLU A 9 4.559 -9.308 2.077 1.00 0.00 C ATOM 151 C GLU A 9 3.479 -9.592 1.038 1.00 0.00 C ATOM 152 O GLU A 9 2.375 -10.018 1.377 1.00 0.00 O ATOM 153 CB GLU A 9 5.722 -10.287 1.901 1.00 0.00 C ATOM 154 CG GLU A 9 6.898 -10.004 2.821 1.00 0.00 C ATOM 155 CD GLU A 9 8.016 -9.254 2.124 1.00 0.00 C ATOM 156 OE1 GLU A 9 8.289 -9.558 0.944 1.00 0.00 O ATOM 157 OE2 GLU A 9 8.618 -8.363 2.758 1.00 0.00 O ATOM 0 H GLU A 9 3.937 -10.359 3.781 1.00 0.00 H new ATOM 0 HA GLU A 9 4.925 -8.292 1.930 1.00 0.00 H new ATOM 0 HB2 GLU A 9 5.364 -11.300 2.083 1.00 0.00 H new ATOM 0 HB3 GLU A 9 6.063 -10.251 0.866 1.00 0.00 H new ATOM 0 HG2 GLU A 9 6.554 -9.423 3.676 1.00 0.00 H new ATOM 0 HG3 GLU A 9 7.285 -10.946 3.210 1.00 0.00 H new ATOM 164 N TYR A 10 3.803 -9.353 -0.229 1.00 0.00 N ATOM 165 CA TYR A 10 2.857 -9.584 -1.315 1.00 0.00 C ATOM 166 C TYR A 10 3.586 -9.837 -2.630 1.00 0.00 C ATOM 167 O TYR A 10 4.630 -9.242 -2.897 1.00 0.00 O ATOM 168 CB TYR A 10 1.915 -8.389 -1.465 1.00 0.00 C ATOM 169 CG TYR A 10 0.836 -8.598 -2.504 1.00 0.00 C ATOM 170 CD1 TYR A 10 -0.153 -9.555 -2.322 1.00 0.00 C ATOM 171 CD2 TYR A 10 0.808 -7.839 -3.668 1.00 0.00 C ATOM 172 CE1 TYR A 10 -1.140 -9.752 -3.269 1.00 0.00 C ATOM 173 CE2 TYR A 10 -0.176 -8.029 -4.620 1.00 0.00 C ATOM 174 CZ TYR A 10 -1.147 -8.986 -4.415 1.00 0.00 C ATOM 175 OH TYR A 10 -2.128 -9.178 -5.361 1.00 0.00 O ATOM 0 H TYR A 10 4.712 -9.000 -0.529 1.00 0.00 H new ATOM 0 HA TYR A 10 2.272 -10.470 -1.068 1.00 0.00 H new ATOM 0 HB2 TYR A 10 1.447 -8.183 -0.503 1.00 0.00 H new ATOM 0 HB3 TYR A 10 2.499 -7.508 -1.731 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -0.151 -10.156 -1.425 1.00 0.00 H new ATOM 0 HD2 TYR A 10 1.567 -7.089 -3.831 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -1.901 -10.502 -3.112 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -0.184 -7.431 -5.519 1.00 0.00 H new ATOM 0 HH TYR A 10 -1.990 -8.557 -6.107 1.00 0.00 H new ATOM 185 N ILE A 11 3.027 -10.721 -3.450 1.00 0.00 N ATOM 186 CA ILE A 11 3.621 -11.052 -4.739 1.00 0.00 C ATOM 187 C ILE A 11 2.725 -10.595 -5.890 1.00 0.00 C ATOM 188 O ILE A 11 1.672 -11.183 -6.134 1.00 0.00 O ATOM 189 CB ILE A 11 3.870 -12.566 -4.871 1.00 0.00 C ATOM 190 CG1 ILE A 11 4.597 -13.096 -3.634 1.00 0.00 C ATOM 191 CG2 ILE A 11 4.670 -12.863 -6.131 1.00 0.00 C ATOM 192 CD1 ILE A 11 3.668 -13.659 -2.581 1.00 0.00 C ATOM 0 H ILE A 11 2.162 -11.221 -3.244 1.00 0.00 H new ATOM 0 HA ILE A 11 4.575 -10.528 -4.791 1.00 0.00 H new ATOM 0 HB ILE A 11 2.908 -13.072 -4.947 1.00 0.00 H new ATOM 0 HG12 ILE A 11 5.299 -13.872 -3.940 1.00 0.00 H new ATOM 0 HG13 ILE A 11 5.185 -12.290 -3.195 1.00 0.00 H new ATOM 0 HG21 ILE A 11 4.838 -13.937 -6.211 1.00 0.00 H new ATOM 0 HG22 ILE A 11 4.116 -12.517 -7.004 1.00 0.00 H new ATOM 0 HG23 ILE A 11 5.630 -12.348 -6.083 1.00 0.00 H new ATOM 0 HD11 ILE A 11 4.253 -14.016 -1.733 1.00 0.00 H new ATOM 0 HD12 ILE A 11 2.982 -12.880 -2.247 1.00 0.00 H new ATOM 0 HD13 ILE A 11 3.099 -14.487 -3.003 1.00 0.00 H new ATOM 204 N PRO A 12 3.129 -9.536 -6.616 1.00 0.00 N ATOM 205 CA PRO A 12 2.349 -9.011 -7.742 1.00 0.00 C ATOM 206 C PRO A 12 2.282 -9.991 -8.908 1.00 0.00 C ATOM 207 O PRO A 12 3.190 -10.799 -9.107 1.00 0.00 O ATOM 208 CB PRO A 12 3.109 -7.745 -8.150 1.00 0.00 C ATOM 209 CG PRO A 12 4.498 -7.958 -7.659 1.00 0.00 C ATOM 210 CD PRO A 12 4.371 -8.770 -6.401 1.00 0.00 C ATOM 0 HA PRO A 12 1.311 -8.827 -7.464 1.00 0.00 H new ATOM 0 HB2 PRO A 12 3.089 -7.603 -9.231 1.00 0.00 H new ATOM 0 HB3 PRO A 12 2.664 -6.856 -7.704 1.00 0.00 H new ATOM 0 HG2 PRO A 12 5.099 -8.481 -8.403 1.00 0.00 H new ATOM 0 HG3 PRO A 12 4.993 -7.007 -7.462 1.00 0.00 H new ATOM 0 HD2 PRO A 12 5.229 -9.427 -6.258 1.00 0.00 H new ATOM 0 HD3 PRO A 12 4.304 -8.135 -5.517 1.00 0.00 H new ATOM 218 N GLN A 13 1.200 -9.916 -9.676 1.00 0.00 N ATOM 219 CA GLN A 13 1.014 -10.796 -10.824 1.00 0.00 C ATOM 220 C GLN A 13 0.485 -10.020 -12.027 1.00 0.00 C ATOM 221 O GLN A 13 -0.204 -10.576 -12.883 1.00 0.00 O ATOM 222 CB GLN A 13 0.051 -11.933 -10.468 1.00 0.00 C ATOM 223 CG GLN A 13 0.693 -13.310 -10.513 1.00 0.00 C ATOM 224 CD GLN A 13 1.603 -13.568 -9.329 1.00 0.00 C ATOM 225 OE1 GLN A 13 1.395 -13.029 -8.242 1.00 0.00 O ATOM 226 NE2 GLN A 13 2.621 -14.396 -9.534 1.00 0.00 N ATOM 0 H GLN A 13 0.438 -9.255 -9.524 1.00 0.00 H new ATOM 0 HA GLN A 13 1.983 -11.219 -11.088 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -0.349 -11.760 -9.469 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -0.793 -11.912 -11.157 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -0.088 -14.070 -10.539 1.00 0.00 H new ATOM 0 HG3 GLN A 13 1.266 -13.410 -11.435 1.00 0.00 H new ATOM 0 HE21 GLN A 13 2.756 -14.821 -10.451 1.00 0.00 H new ATOM 0 HE22 GLN A 13 3.268 -14.607 -8.774 1.00 0.00 H new ATOM 235 N ASN A 14 0.812 -8.732 -12.087 1.00 0.00 N ATOM 236 CA ASN A 14 0.369 -7.882 -13.186 1.00 0.00 C ATOM 237 C ASN A 14 1.229 -6.625 -13.282 1.00 0.00 C ATOM 238 O ASN A 14 1.950 -6.282 -12.345 1.00 0.00 O ATOM 239 CB ASN A 14 -1.102 -7.500 -13.002 1.00 0.00 C ATOM 240 CG ASN A 14 -2.011 -8.212 -13.984 1.00 0.00 C ATOM 241 OD1 ASN A 14 -2.350 -7.672 -15.037 1.00 0.00 O ATOM 242 ND2 ASN A 14 -2.411 -9.431 -13.644 1.00 0.00 N ATOM 0 H ASN A 14 1.382 -8.255 -11.388 1.00 0.00 H new ATOM 0 HA ASN A 14 0.476 -8.443 -14.114 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -1.412 -7.739 -11.985 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -1.213 -6.423 -13.124 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -3.024 -9.959 -14.266 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -2.105 -9.840 -12.761 1.00 0.00 H new ATOM 249 N GLU A 15 1.146 -5.943 -14.419 1.00 0.00 N ATOM 250 CA GLU A 15 1.915 -4.724 -14.638 1.00 0.00 C ATOM 251 C GLU A 15 1.440 -3.606 -13.714 1.00 0.00 C ATOM 252 O GLU A 15 2.220 -2.738 -13.323 1.00 0.00 O ATOM 253 CB GLU A 15 1.802 -4.278 -16.097 1.00 0.00 C ATOM 254 CG GLU A 15 2.884 -4.857 -16.994 1.00 0.00 C ATOM 255 CD GLU A 15 3.755 -3.787 -17.624 1.00 0.00 C ATOM 256 OE1 GLU A 15 3.239 -2.680 -17.886 1.00 0.00 O ATOM 257 OE2 GLU A 15 4.952 -4.057 -17.856 1.00 0.00 O ATOM 0 H GLU A 15 0.553 -6.214 -15.204 1.00 0.00 H new ATOM 0 HA GLU A 15 2.959 -4.939 -14.411 1.00 0.00 H new ATOM 0 HB2 GLU A 15 0.826 -4.571 -16.483 1.00 0.00 H new ATOM 0 HB3 GLU A 15 1.849 -3.190 -16.141 1.00 0.00 H new ATOM 0 HG2 GLU A 15 3.510 -5.533 -16.412 1.00 0.00 H new ATOM 0 HG3 GLU A 15 2.419 -5.451 -17.781 1.00 0.00 H new ATOM 264 N ASP A 16 0.157 -3.634 -13.368 1.00 0.00 N ATOM 265 CA ASP A 16 -0.420 -2.622 -12.490 1.00 0.00 C ATOM 266 C ASP A 16 -0.494 -3.125 -11.052 1.00 0.00 C ATOM 267 O ASP A 16 -1.397 -2.757 -10.301 1.00 0.00 O ATOM 268 CB ASP A 16 -1.816 -2.229 -12.977 1.00 0.00 C ATOM 269 CG ASP A 16 -1.783 -1.068 -13.951 1.00 0.00 C ATOM 270 OD1 ASP A 16 -1.793 0.093 -13.491 1.00 0.00 O ATOM 271 OD2 ASP A 16 -1.748 -1.319 -15.174 1.00 0.00 O ATOM 0 H ASP A 16 -0.503 -4.346 -13.682 1.00 0.00 H new ATOM 0 HA ASP A 16 0.227 -1.745 -12.516 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -2.286 -3.088 -13.456 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -2.435 -1.963 -12.120 1.00 0.00 H new ATOM 276 N GLU A 17 0.461 -3.969 -10.675 1.00 0.00 N ATOM 277 CA GLU A 17 0.505 -4.523 -9.327 1.00 0.00 C ATOM 278 C GLU A 17 1.849 -4.238 -8.665 1.00 0.00 C ATOM 279 O GLU A 17 2.904 -4.532 -9.227 1.00 0.00 O ATOM 280 CB GLU A 17 0.247 -6.032 -9.364 1.00 0.00 C ATOM 281 CG GLU A 17 -1.121 -6.427 -8.831 1.00 0.00 C ATOM 282 CD GLU A 17 -2.251 -5.691 -9.524 1.00 0.00 C ATOM 283 OE1 GLU A 17 -2.088 -5.333 -10.709 1.00 0.00 O ATOM 284 OE2 GLU A 17 -3.299 -5.473 -8.881 1.00 0.00 O ATOM 0 H GLU A 17 1.215 -4.284 -11.285 1.00 0.00 H new ATOM 0 HA GLU A 17 -0.277 -4.044 -8.738 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.343 -6.384 -10.391 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.016 -6.538 -8.780 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.260 -7.501 -8.958 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.162 -6.224 -7.761 1.00 0.00 H new ATOM 291 N LEU A 18 1.801 -3.663 -7.468 1.00 0.00 N ATOM 292 CA LEU A 18 3.013 -3.337 -6.727 1.00 0.00 C ATOM 293 C LEU A 18 3.322 -4.417 -5.696 1.00 0.00 C ATOM 294 O LEU A 18 2.441 -5.178 -5.296 1.00 0.00 O ATOM 295 CB LEU A 18 2.861 -1.982 -6.034 1.00 0.00 C ATOM 296 CG LEU A 18 4.173 -1.274 -5.696 1.00 0.00 C ATOM 297 CD1 LEU A 18 4.884 -0.832 -6.965 1.00 0.00 C ATOM 298 CD2 LEU A 18 3.914 -0.084 -4.785 1.00 0.00 C ATOM 0 H LEU A 18 0.935 -3.413 -6.990 1.00 0.00 H new ATOM 0 HA LEU A 18 3.842 -3.285 -7.433 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.268 -1.329 -6.674 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.295 -2.124 -5.113 1.00 0.00 H new ATOM 0 HG LEU A 18 4.819 -1.977 -5.170 1.00 0.00 H new ATOM 0 HD11 LEU A 18 5.816 -0.330 -6.704 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.102 -1.703 -7.582 1.00 0.00 H new ATOM 0 HD13 LEU A 18 4.245 -0.145 -7.520 1.00 0.00 H new ATOM 0 HD21 LEU A 18 4.858 0.409 -4.554 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.250 0.620 -5.286 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.448 -0.427 -3.861 1.00 0.00 H new ATOM 310 N GLU A 19 4.579 -4.481 -5.269 1.00 0.00 N ATOM 311 CA GLU A 19 5.000 -5.471 -4.285 1.00 0.00 C ATOM 312 C GLU A 19 5.043 -4.868 -2.885 1.00 0.00 C ATOM 313 O GLU A 19 5.934 -4.081 -2.563 1.00 0.00 O ATOM 314 CB GLU A 19 6.375 -6.031 -4.654 1.00 0.00 C ATOM 315 CG GLU A 19 6.659 -7.398 -4.051 1.00 0.00 C ATOM 316 CD GLU A 19 7.981 -7.976 -4.515 1.00 0.00 C ATOM 317 OE1 GLU A 19 9.019 -7.305 -4.334 1.00 0.00 O ATOM 318 OE2 GLU A 19 7.979 -9.101 -5.058 1.00 0.00 O ATOM 0 H GLU A 19 5.322 -3.860 -5.588 1.00 0.00 H new ATOM 0 HA GLU A 19 4.270 -6.281 -4.287 1.00 0.00 H new ATOM 0 HB2 GLU A 19 6.451 -6.099 -5.739 1.00 0.00 H new ATOM 0 HB3 GLU A 19 7.143 -5.331 -4.324 1.00 0.00 H new ATOM 0 HG2 GLU A 19 6.663 -7.318 -2.964 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.854 -8.083 -4.317 1.00 0.00 H new ATOM 325 N LEU A 20 4.076 -5.246 -2.054 1.00 0.00 N ATOM 326 CA LEU A 20 4.003 -4.747 -0.686 1.00 0.00 C ATOM 327 C LEU A 20 5.074 -5.395 0.186 1.00 0.00 C ATOM 328 O LEU A 20 4.954 -6.558 0.570 1.00 0.00 O ATOM 329 CB LEU A 20 2.619 -5.019 -0.090 1.00 0.00 C ATOM 330 CG LEU A 20 1.459 -4.283 -0.766 1.00 0.00 C ATOM 331 CD1 LEU A 20 1.793 -2.812 -0.957 1.00 0.00 C ATOM 332 CD2 LEU A 20 1.121 -4.935 -2.099 1.00 0.00 C ATOM 0 H LEU A 20 3.332 -5.897 -2.305 1.00 0.00 H new ATOM 0 HA LEU A 20 4.176 -3.671 -0.712 1.00 0.00 H new ATOM 0 HB2 LEU A 20 2.425 -6.091 -0.138 1.00 0.00 H new ATOM 0 HB3 LEU A 20 2.636 -4.745 0.965 1.00 0.00 H new ATOM 0 HG LEU A 20 0.585 -4.351 -0.118 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.955 -2.308 -1.439 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.983 -2.353 0.013 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.681 -2.719 -1.582 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.294 -4.400 -2.567 1.00 0.00 H new ATOM 0 HD22 LEU A 20 1.992 -4.899 -2.753 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.834 -5.973 -1.934 1.00 0.00 H new ATOM 344 N LYS A 21 6.119 -4.636 0.496 1.00 0.00 N ATOM 345 CA LYS A 21 7.208 -5.140 1.325 1.00 0.00 C ATOM 346 C LYS A 21 6.975 -4.797 2.792 1.00 0.00 C ATOM 347 O LYS A 21 6.694 -3.648 3.134 1.00 0.00 O ATOM 348 CB LYS A 21 8.544 -4.558 0.858 1.00 0.00 C ATOM 349 CG LYS A 21 9.273 -5.439 -0.145 1.00 0.00 C ATOM 350 CD LYS A 21 9.816 -4.630 -1.314 1.00 0.00 C ATOM 351 CE LYS A 21 11.327 -4.478 -1.236 1.00 0.00 C ATOM 352 NZ LYS A 21 12.018 -5.797 -1.209 1.00 0.00 N ATOM 0 H LYS A 21 6.235 -3.671 0.186 1.00 0.00 H new ATOM 0 HA LYS A 21 7.238 -6.225 1.224 1.00 0.00 H new ATOM 0 HB2 LYS A 21 8.368 -3.580 0.410 1.00 0.00 H new ATOM 0 HB3 LYS A 21 9.186 -4.401 1.725 1.00 0.00 H new ATOM 0 HG2 LYS A 21 10.094 -5.955 0.353 1.00 0.00 H new ATOM 0 HG3 LYS A 21 8.594 -6.206 -0.517 1.00 0.00 H new ATOM 0 HD2 LYS A 21 9.547 -5.118 -2.251 1.00 0.00 H new ATOM 0 HD3 LYS A 21 9.351 -3.644 -1.322 1.00 0.00 H new ATOM 0 HE2 LYS A 21 11.678 -3.902 -2.092 1.00 0.00 H new ATOM 0 HE3 LYS A 21 11.589 -3.913 -0.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 12.955 -5.707 -1.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 12.129 -6.111 -0.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 11.453 -6.496 -1.733 1.00 0.00 H new ATOM 366 N VAL A 22 7.091 -5.801 3.657 1.00 0.00 N ATOM 367 CA VAL A 22 6.891 -5.605 5.089 1.00 0.00 C ATOM 368 C VAL A 22 7.770 -4.474 5.616 1.00 0.00 C ATOM 369 O VAL A 22 8.979 -4.456 5.385 1.00 0.00 O ATOM 370 CB VAL A 22 7.196 -6.893 5.879 1.00 0.00 C ATOM 371 CG1 VAL A 22 8.643 -7.318 5.675 1.00 0.00 C ATOM 372 CG2 VAL A 22 6.892 -6.701 7.358 1.00 0.00 C ATOM 0 H VAL A 22 7.322 -6.758 3.391 1.00 0.00 H new ATOM 0 HA VAL A 22 5.843 -5.342 5.231 1.00 0.00 H new ATOM 0 HB VAL A 22 6.552 -7.687 5.501 1.00 0.00 H new ATOM 0 HG11 VAL A 22 8.838 -8.229 6.241 1.00 0.00 H new ATOM 0 HG12 VAL A 22 8.822 -7.504 4.616 1.00 0.00 H new ATOM 0 HG13 VAL A 22 9.307 -6.526 6.022 1.00 0.00 H new ATOM 0 HG21 VAL A 22 7.114 -7.622 7.898 1.00 0.00 H new ATOM 0 HG22 VAL A 22 7.506 -5.892 7.753 1.00 0.00 H new ATOM 0 HG23 VAL A 22 5.838 -6.452 7.484 1.00 0.00 H new ATOM 382 N GLY A 23 7.155 -3.533 6.324 1.00 0.00 N ATOM 383 CA GLY A 23 7.899 -2.414 6.869 1.00 0.00 C ATOM 384 C GLY A 23 7.985 -1.243 5.907 1.00 0.00 C ATOM 385 O GLY A 23 8.494 -0.180 6.262 1.00 0.00 O ATOM 0 H GLY A 23 6.156 -3.525 6.530 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.426 -2.085 7.794 1.00 0.00 H new ATOM 0 HA3 GLY A 23 8.906 -2.743 7.125 1.00 0.00 H new ATOM 389 N ASP A 24 7.491 -1.435 4.686 1.00 0.00 N ATOM 390 CA ASP A 24 7.522 -0.383 3.677 1.00 0.00 C ATOM 391 C ASP A 24 6.256 0.465 3.735 1.00 0.00 C ATOM 392 O ASP A 24 5.147 -0.063 3.798 1.00 0.00 O ATOM 393 CB ASP A 24 7.679 -0.990 2.282 1.00 0.00 C ATOM 394 CG ASP A 24 8.540 -0.136 1.372 1.00 0.00 C ATOM 395 OD1 ASP A 24 9.514 0.466 1.870 1.00 0.00 O ATOM 396 OD2 ASP A 24 8.239 -0.067 0.162 1.00 0.00 O ATOM 0 H ASP A 24 7.066 -2.308 4.373 1.00 0.00 H new ATOM 0 HA ASP A 24 8.378 0.259 3.885 1.00 0.00 H new ATOM 0 HB2 ASP A 24 8.121 -1.983 2.369 1.00 0.00 H new ATOM 0 HB3 ASP A 24 6.695 -1.117 1.832 1.00 0.00 H new ATOM 401 N ILE A 25 6.431 1.783 3.713 1.00 0.00 N ATOM 402 CA ILE A 25 5.302 2.705 3.762 1.00 0.00 C ATOM 403 C ILE A 25 4.896 3.151 2.361 1.00 0.00 C ATOM 404 O ILE A 25 5.746 3.390 1.504 1.00 0.00 O ATOM 405 CB ILE A 25 5.628 3.948 4.616 1.00 0.00 C ATOM 406 CG1 ILE A 25 4.390 4.839 4.761 1.00 0.00 C ATOM 407 CG2 ILE A 25 6.784 4.729 4.005 1.00 0.00 C ATOM 408 CD1 ILE A 25 3.903 4.967 6.188 1.00 0.00 C ATOM 0 H ILE A 25 7.343 2.236 3.662 1.00 0.00 H new ATOM 0 HA ILE A 25 4.472 2.168 4.222 1.00 0.00 H new ATOM 0 HB ILE A 25 5.929 3.615 5.609 1.00 0.00 H new ATOM 0 HG12 ILE A 25 4.619 5.832 4.373 1.00 0.00 H new ATOM 0 HG13 ILE A 25 3.586 4.434 4.146 1.00 0.00 H new ATOM 0 HG21 ILE A 25 6.999 5.602 4.621 1.00 0.00 H new ATOM 0 HG22 ILE A 25 7.668 4.093 3.956 1.00 0.00 H new ATOM 0 HG23 ILE A 25 6.514 5.052 3.000 1.00 0.00 H new ATOM 0 HD11 ILE A 25 3.024 5.612 6.216 1.00 0.00 H new ATOM 0 HD12 ILE A 25 3.642 3.981 6.573 1.00 0.00 H new ATOM 0 HD13 ILE A 25 4.691 5.401 6.804 1.00 0.00 H new ATOM 420 N ILE A 26 3.591 3.259 2.135 1.00 0.00 N ATOM 421 CA ILE A 26 3.073 3.674 0.837 1.00 0.00 C ATOM 422 C ILE A 26 2.028 4.775 0.987 1.00 0.00 C ATOM 423 O ILE A 26 1.196 4.735 1.893 1.00 0.00 O ATOM 424 CB ILE A 26 2.448 2.490 0.075 1.00 0.00 C ATOM 425 CG1 ILE A 26 3.386 1.283 0.104 1.00 0.00 C ATOM 426 CG2 ILE A 26 2.135 2.889 -1.360 1.00 0.00 C ATOM 427 CD1 ILE A 26 3.112 0.331 1.248 1.00 0.00 C ATOM 0 H ILE A 26 2.873 3.065 2.833 1.00 0.00 H new ATOM 0 HA ILE A 26 3.920 4.056 0.268 1.00 0.00 H new ATOM 0 HB ILE A 26 1.515 2.213 0.567 1.00 0.00 H new ATOM 0 HG12 ILE A 26 3.297 0.741 -0.838 1.00 0.00 H new ATOM 0 HG13 ILE A 26 4.415 1.635 0.173 1.00 0.00 H new ATOM 0 HG21 ILE A 26 1.694 2.042 -1.885 1.00 0.00 H new ATOM 0 HG22 ILE A 26 1.432 3.722 -1.361 1.00 0.00 H new ATOM 0 HG23 ILE A 26 3.054 3.189 -1.863 1.00 0.00 H new ATOM 0 HD11 ILE A 26 3.815 -0.501 1.205 1.00 0.00 H new ATOM 0 HD12 ILE A 26 3.229 0.857 2.195 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.094 -0.050 1.168 1.00 0.00 H new ATOM 439 N ASP A 27 2.078 5.757 0.093 1.00 0.00 N ATOM 440 CA ASP A 27 1.136 6.870 0.126 1.00 0.00 C ATOM 441 C ASP A 27 -0.047 6.608 -0.800 1.00 0.00 C ATOM 442 O ASP A 27 0.122 6.440 -2.007 1.00 0.00 O ATOM 443 CB ASP A 27 1.836 8.170 -0.278 1.00 0.00 C ATOM 444 CG ASP A 27 2.968 8.533 0.663 1.00 0.00 C ATOM 445 OD1 ASP A 27 3.702 7.617 1.090 1.00 0.00 O ATOM 446 OD2 ASP A 27 3.121 9.734 0.971 1.00 0.00 O ATOM 0 H ASP A 27 2.761 5.805 -0.663 1.00 0.00 H new ATOM 0 HA ASP A 27 0.763 6.968 1.145 1.00 0.00 H new ATOM 0 HB2 ASP A 27 2.227 8.070 -1.291 1.00 0.00 H new ATOM 0 HB3 ASP A 27 1.108 8.981 -0.296 1.00 0.00 H new ATOM 451 N ILE A 28 -1.245 6.574 -0.226 1.00 0.00 N ATOM 452 CA ILE A 28 -2.456 6.332 -1.001 1.00 0.00 C ATOM 453 C ILE A 28 -2.939 7.609 -1.679 1.00 0.00 C ATOM 454 O ILE A 28 -2.963 8.677 -1.068 1.00 0.00 O ATOM 455 CB ILE A 28 -3.591 5.776 -0.118 1.00 0.00 C ATOM 456 CG1 ILE A 28 -3.052 4.701 0.831 1.00 0.00 C ATOM 457 CG2 ILE A 28 -4.713 5.218 -0.983 1.00 0.00 C ATOM 458 CD1 ILE A 28 -2.922 5.170 2.263 1.00 0.00 C ATOM 0 H ILE A 28 -1.403 6.711 0.772 1.00 0.00 H new ATOM 0 HA ILE A 28 -2.200 5.592 -1.760 1.00 0.00 H new ATOM 0 HB ILE A 28 -3.995 6.591 0.482 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -3.713 3.835 0.799 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -2.076 4.370 0.475 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -5.506 4.830 -0.344 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -5.112 6.010 -1.616 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -4.325 4.414 -1.609 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -2.535 4.358 2.878 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -2.237 6.017 2.308 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -3.900 5.474 2.637 1.00 0.00 H new ATOM 470 N ASN A 29 -3.324 7.491 -2.946 1.00 0.00 N ATOM 471 CA ASN A 29 -3.807 8.637 -3.707 1.00 0.00 C ATOM 472 C ASN A 29 -5.329 8.721 -3.658 1.00 0.00 C ATOM 473 O ASN A 29 -5.895 9.790 -3.431 1.00 0.00 O ATOM 474 CB ASN A 29 -3.334 8.547 -5.159 1.00 0.00 C ATOM 475 CG ASN A 29 -2.958 9.900 -5.729 1.00 0.00 C ATOM 476 OD1 ASN A 29 -3.805 10.625 -6.252 1.00 0.00 O ATOM 477 ND2 ASN A 29 -1.680 10.248 -5.632 1.00 0.00 N ATOM 0 H ASN A 29 -3.311 6.614 -3.467 1.00 0.00 H new ATOM 0 HA ASN A 29 -3.398 9.541 -3.255 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -2.474 7.879 -5.217 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -4.122 8.105 -5.768 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -1.367 11.147 -5.999 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -1.012 9.616 -5.191 1.00 0.00 H new ATOM 484 N GLU A 30 -5.987 7.586 -3.872 1.00 0.00 N ATOM 485 CA GLU A 30 -7.444 7.532 -3.852 1.00 0.00 C ATOM 486 C GLU A 30 -7.937 6.089 -3.816 1.00 0.00 C ATOM 487 O GLU A 30 -7.187 5.159 -4.114 1.00 0.00 O ATOM 488 CB GLU A 30 -8.019 8.249 -5.075 1.00 0.00 C ATOM 489 CG GLU A 30 -8.326 9.718 -4.831 1.00 0.00 C ATOM 490 CD GLU A 30 -9.766 10.074 -5.146 1.00 0.00 C ATOM 491 OE1 GLU A 30 -10.373 9.392 -5.998 1.00 0.00 O ATOM 492 OE2 GLU A 30 -10.286 11.035 -4.541 1.00 0.00 O ATOM 0 H GLU A 30 -5.534 6.692 -4.061 1.00 0.00 H new ATOM 0 HA GLU A 30 -7.787 8.036 -2.949 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -7.311 8.167 -5.900 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -8.932 7.742 -5.387 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -8.115 9.961 -3.790 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -7.662 10.330 -5.442 1.00 0.00 H new ATOM 499 N GLU A 31 -9.203 5.910 -3.452 1.00 0.00 N ATOM 500 CA GLU A 31 -9.796 4.580 -3.380 1.00 0.00 C ATOM 501 C GLU A 31 -10.214 4.099 -4.765 1.00 0.00 C ATOM 502 O GLU A 31 -11.174 4.605 -5.346 1.00 0.00 O ATOM 503 CB GLU A 31 -11.004 4.586 -2.442 1.00 0.00 C ATOM 504 CG GLU A 31 -11.151 3.308 -1.633 1.00 0.00 C ATOM 505 CD GLU A 31 -12.304 3.369 -0.651 1.00 0.00 C ATOM 506 OE1 GLU A 31 -13.358 3.938 -1.007 1.00 0.00 O ATOM 507 OE2 GLU A 31 -12.154 2.848 0.474 1.00 0.00 O ATOM 0 H GLU A 31 -9.837 6.669 -3.203 1.00 0.00 H new ATOM 0 HA GLU A 31 -9.046 3.894 -2.987 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -10.919 5.431 -1.759 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -11.909 4.741 -3.029 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -11.301 2.468 -2.311 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -10.225 3.118 -1.090 1.00 0.00 H new ATOM 514 N VAL A 32 -9.483 3.121 -5.291 1.00 0.00 N ATOM 515 CA VAL A 32 -9.774 2.574 -6.610 1.00 0.00 C ATOM 516 C VAL A 32 -11.150 1.915 -6.651 1.00 0.00 C ATOM 517 O VAL A 32 -11.929 2.144 -7.576 1.00 0.00 O ATOM 518 CB VAL A 32 -8.709 1.547 -7.041 1.00 0.00 C ATOM 519 CG1 VAL A 32 -7.367 2.229 -7.262 1.00 0.00 C ATOM 520 CG2 VAL A 32 -8.585 0.434 -6.011 1.00 0.00 C ATOM 0 H VAL A 32 -8.685 2.692 -4.823 1.00 0.00 H new ATOM 0 HA VAL A 32 -9.761 3.413 -7.305 1.00 0.00 H new ATOM 0 HB VAL A 32 -9.026 1.102 -7.984 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -6.628 1.488 -7.566 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -7.466 2.983 -8.043 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -7.044 2.705 -6.336 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -7.828 -0.280 -6.336 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -8.295 0.858 -5.050 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -9.543 -0.075 -5.909 1.00 0.00 H new ATOM 530 N GLU A 33 -11.444 1.096 -5.646 1.00 0.00 N ATOM 531 CA GLU A 33 -12.727 0.405 -5.575 1.00 0.00 C ATOM 532 C GLU A 33 -13.131 0.147 -4.127 1.00 0.00 C ATOM 533 O GLU A 33 -12.446 0.571 -3.196 1.00 0.00 O ATOM 534 CB GLU A 33 -12.658 -0.920 -6.339 1.00 0.00 C ATOM 535 CG GLU A 33 -13.052 -0.801 -7.802 1.00 0.00 C ATOM 536 CD GLU A 33 -14.554 -0.818 -8.005 1.00 0.00 C ATOM 537 OE1 GLU A 33 -15.232 0.101 -7.499 1.00 0.00 O ATOM 538 OE2 GLU A 33 -15.053 -1.751 -8.670 1.00 0.00 O ATOM 0 H GLU A 33 -10.812 0.895 -4.871 1.00 0.00 H new ATOM 0 HA GLU A 33 -13.480 1.046 -6.034 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -11.644 -1.314 -6.276 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -13.312 -1.644 -5.853 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -12.645 0.124 -8.210 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -12.604 -1.621 -8.363 1.00 0.00 H new ATOM 545 N GLU A 34 -14.246 -0.555 -3.944 1.00 0.00 N ATOM 546 CA GLU A 34 -14.740 -0.875 -2.609 1.00 0.00 C ATOM 547 C GLU A 34 -14.119 -2.174 -2.100 1.00 0.00 C ATOM 548 O GLU A 34 -14.825 -3.097 -1.692 1.00 0.00 O ATOM 549 CB GLU A 34 -16.266 -0.993 -2.621 1.00 0.00 C ATOM 550 CG GLU A 34 -16.896 -0.856 -1.244 1.00 0.00 C ATOM 551 CD GLU A 34 -18.071 -1.793 -1.045 1.00 0.00 C ATOM 552 OE1 GLU A 34 -18.810 -2.035 -2.023 1.00 0.00 O ATOM 553 OE2 GLU A 34 -18.252 -2.286 0.088 1.00 0.00 O ATOM 0 H GLU A 34 -14.824 -0.913 -4.704 1.00 0.00 H new ATOM 0 HA GLU A 34 -14.453 -0.067 -1.936 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -16.677 -0.226 -3.278 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -16.545 -1.958 -3.045 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -16.143 -1.057 -0.482 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -17.228 0.172 -1.101 1.00 0.00 H new ATOM 560 N GLY A 35 -12.793 -2.235 -2.130 1.00 0.00 N ATOM 561 CA GLY A 35 -12.089 -3.419 -1.674 1.00 0.00 C ATOM 562 C GLY A 35 -10.593 -3.304 -1.878 1.00 0.00 C ATOM 563 O GLY A 35 -9.806 -3.767 -1.052 1.00 0.00 O ATOM 0 H GLY A 35 -12.191 -1.482 -2.463 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -12.299 -3.581 -0.617 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -12.462 -4.291 -2.210 1.00 0.00 H new ATOM 567 N TRP A 36 -10.201 -2.675 -2.982 1.00 0.00 N ATOM 568 CA TRP A 36 -8.791 -2.487 -3.298 1.00 0.00 C ATOM 569 C TRP A 36 -8.386 -1.033 -3.082 1.00 0.00 C ATOM 570 O TRP A 36 -9.205 -0.125 -3.221 1.00 0.00 O ATOM 571 CB TRP A 36 -8.510 -2.899 -4.745 1.00 0.00 C ATOM 572 CG TRP A 36 -8.963 -4.290 -5.065 1.00 0.00 C ATOM 573 CD1 TRP A 36 -10.251 -4.724 -5.196 1.00 0.00 C ATOM 574 CD2 TRP A 36 -8.129 -5.433 -5.293 1.00 0.00 C ATOM 575 NE1 TRP A 36 -10.269 -6.065 -5.492 1.00 0.00 N ATOM 576 CE2 TRP A 36 -8.979 -6.523 -5.557 1.00 0.00 C ATOM 577 CE3 TRP A 36 -6.746 -5.639 -5.300 1.00 0.00 C ATOM 578 CZ2 TRP A 36 -8.491 -7.800 -5.826 1.00 0.00 C ATOM 579 CZ3 TRP A 36 -6.263 -6.907 -5.567 1.00 0.00 C ATOM 580 CH2 TRP A 36 -7.134 -7.973 -5.827 1.00 0.00 C ATOM 0 H TRP A 36 -10.842 -2.287 -3.673 1.00 0.00 H new ATOM 0 HA TRP A 36 -8.202 -3.118 -2.632 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -9.006 -2.199 -5.417 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -7.440 -2.820 -4.936 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -11.128 -4.103 -5.083 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -11.106 -6.628 -5.639 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -6.067 -4.823 -5.101 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -9.160 -8.624 -6.027 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -5.197 -7.078 -5.575 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -6.726 -8.952 -6.032 1.00 0.00 H new ATOM 591 N TRP A 37 -7.121 -0.818 -2.736 1.00 0.00 N ATOM 592 CA TRP A 37 -6.616 0.529 -2.495 1.00 0.00 C ATOM 593 C TRP A 37 -5.432 0.842 -3.404 1.00 0.00 C ATOM 594 O TRP A 37 -4.807 -0.060 -3.961 1.00 0.00 O ATOM 595 CB TRP A 37 -6.205 0.687 -1.030 1.00 0.00 C ATOM 596 CG TRP A 37 -7.319 1.164 -0.148 1.00 0.00 C ATOM 597 CD1 TRP A 37 -8.646 0.866 -0.269 1.00 0.00 C ATOM 598 CD2 TRP A 37 -7.203 2.025 0.990 1.00 0.00 C ATOM 599 NE1 TRP A 37 -9.362 1.490 0.724 1.00 0.00 N ATOM 600 CE2 TRP A 37 -8.498 2.207 1.510 1.00 0.00 C ATOM 601 CE3 TRP A 37 -6.129 2.659 1.621 1.00 0.00 C ATOM 602 CZ2 TRP A 37 -8.748 2.997 2.630 1.00 0.00 C ATOM 603 CZ3 TRP A 37 -6.378 3.442 2.733 1.00 0.00 C ATOM 604 CH2 TRP A 37 -7.678 3.605 3.227 1.00 0.00 C ATOM 0 H TRP A 37 -6.428 -1.557 -2.616 1.00 0.00 H new ATOM 0 HA TRP A 37 -7.417 1.234 -2.720 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -5.841 -0.270 -0.657 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -5.375 1.390 -0.967 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -9.071 0.232 -1.034 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -10.372 1.429 0.855 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -5.123 2.539 1.247 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -9.750 3.125 3.013 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -5.556 3.936 3.229 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -7.839 4.224 4.097 1.00 0.00 H new ATOM 615 N SER A 38 -5.133 2.129 -3.549 1.00 0.00 N ATOM 616 CA SER A 38 -4.026 2.569 -4.390 1.00 0.00 C ATOM 617 C SER A 38 -2.884 3.119 -3.542 1.00 0.00 C ATOM 618 O SER A 38 -3.089 3.534 -2.402 1.00 0.00 O ATOM 619 CB SER A 38 -4.502 3.637 -5.377 1.00 0.00 C ATOM 620 OG SER A 38 -3.763 3.583 -6.585 1.00 0.00 O ATOM 0 H SER A 38 -5.643 2.886 -3.094 1.00 0.00 H new ATOM 0 HA SER A 38 -3.660 1.706 -4.946 1.00 0.00 H new ATOM 0 HB2 SER A 38 -5.562 3.494 -5.589 1.00 0.00 H new ATOM 0 HB3 SER A 38 -4.397 4.624 -4.927 1.00 0.00 H new ATOM 0 HG SER A 38 -4.088 4.274 -7.199 1.00 0.00 H new ATOM 626 N GLY A 39 -1.680 3.119 -4.105 1.00 0.00 N ATOM 627 CA GLY A 39 -0.527 3.621 -3.383 1.00 0.00 C ATOM 628 C GLY A 39 0.519 4.223 -4.300 1.00 0.00 C ATOM 629 O GLY A 39 0.511 3.980 -5.507 1.00 0.00 O ATOM 0 H GLY A 39 -1.483 2.781 -5.047 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -0.852 4.374 -2.665 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -0.079 2.808 -2.811 1.00 0.00 H new ATOM 633 N THR A 40 1.421 5.012 -3.726 1.00 0.00 N ATOM 634 CA THR A 40 2.479 5.653 -4.497 1.00 0.00 C ATOM 635 C THR A 40 3.807 5.587 -3.750 1.00 0.00 C ATOM 636 O THR A 40 3.880 5.911 -2.564 1.00 0.00 O ATOM 637 CB THR A 40 2.115 7.110 -4.785 1.00 0.00 C ATOM 638 OG1 THR A 40 0.714 7.257 -4.933 1.00 0.00 O ATOM 639 CG2 THR A 40 2.769 7.655 -6.036 1.00 0.00 C ATOM 0 H THR A 40 1.440 5.223 -2.728 1.00 0.00 H new ATOM 0 HA THR A 40 2.585 5.119 -5.441 1.00 0.00 H new ATOM 0 HB THR A 40 2.483 7.674 -3.928 1.00 0.00 H new ATOM 0 HG1 THR A 40 0.501 8.196 -5.115 1.00 0.00 H new ATOM 0 HG21 THR A 40 2.468 8.693 -6.181 1.00 0.00 H new ATOM 0 HG22 THR A 40 3.853 7.602 -5.932 1.00 0.00 H new ATOM 0 HG23 THR A 40 2.458 7.063 -6.897 1.00 0.00 H new ATOM 647 N LEU A 41 4.856 5.162 -4.448 1.00 0.00 N ATOM 648 CA LEU A 41 6.179 5.054 -3.843 1.00 0.00 C ATOM 649 C LEU A 41 7.265 5.514 -4.811 1.00 0.00 C ATOM 650 O LEU A 41 7.737 4.741 -5.644 1.00 0.00 O ATOM 651 CB LEU A 41 6.444 3.611 -3.404 1.00 0.00 C ATOM 652 CG LEU A 41 6.991 3.459 -1.984 1.00 0.00 C ATOM 653 CD1 LEU A 41 6.648 2.088 -1.424 1.00 0.00 C ATOM 654 CD2 LEU A 41 8.496 3.681 -1.967 1.00 0.00 C ATOM 0 H LEU A 41 4.816 4.888 -5.430 1.00 0.00 H new ATOM 0 HA LEU A 41 6.204 5.704 -2.968 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.515 3.047 -3.482 1.00 0.00 H new ATOM 0 HB3 LEU A 41 7.151 3.159 -4.100 1.00 0.00 H new ATOM 0 HG LEU A 41 6.524 4.215 -1.352 1.00 0.00 H new ATOM 0 HD11 LEU A 41 7.045 1.998 -0.413 1.00 0.00 H new ATOM 0 HD12 LEU A 41 5.565 1.965 -1.401 1.00 0.00 H new ATOM 0 HD13 LEU A 41 7.087 1.316 -2.056 1.00 0.00 H new ATOM 0 HD21 LEU A 41 8.869 3.569 -0.949 1.00 0.00 H new ATOM 0 HD22 LEU A 41 8.979 2.948 -2.613 1.00 0.00 H new ATOM 0 HD23 LEU A 41 8.720 4.685 -2.327 1.00 0.00 H new ATOM 666 N ASN A 42 7.660 6.777 -4.690 1.00 0.00 N ATOM 667 CA ASN A 42 8.694 7.346 -5.547 1.00 0.00 C ATOM 668 C ASN A 42 8.257 7.353 -7.010 1.00 0.00 C ATOM 669 O ASN A 42 8.838 6.661 -7.847 1.00 0.00 O ATOM 670 CB ASN A 42 10.001 6.564 -5.394 1.00 0.00 C ATOM 671 CG ASN A 42 10.571 6.661 -3.992 1.00 0.00 C ATOM 672 OD1 ASN A 42 10.716 7.753 -3.443 1.00 0.00 O ATOM 673 ND2 ASN A 42 10.898 5.515 -3.406 1.00 0.00 N ATOM 0 H ASN A 42 7.278 7.428 -4.004 1.00 0.00 H new ATOM 0 HA ASN A 42 8.857 8.378 -5.235 1.00 0.00 H new ATOM 0 HB2 ASN A 42 9.826 5.517 -5.641 1.00 0.00 H new ATOM 0 HB3 ASN A 42 10.733 6.941 -6.108 1.00 0.00 H new ATOM 0 HD21 ASN A 42 11.287 5.517 -2.463 1.00 0.00 H new ATOM 0 HD22 ASN A 42 10.760 4.633 -3.899 1.00 0.00 H new ATOM 680 N ASN A 43 7.233 8.145 -7.311 1.00 0.00 N ATOM 681 CA ASN A 43 6.718 8.252 -8.673 1.00 0.00 C ATOM 682 C ASN A 43 6.310 6.887 -9.220 1.00 0.00 C ATOM 683 O ASN A 43 6.407 6.636 -10.422 1.00 0.00 O ATOM 684 CB ASN A 43 7.768 8.890 -9.586 1.00 0.00 C ATOM 685 CG ASN A 43 7.201 10.029 -10.410 1.00 0.00 C ATOM 686 OD1 ASN A 43 6.800 11.061 -9.872 1.00 0.00 O ATOM 687 ND2 ASN A 43 7.164 9.846 -11.725 1.00 0.00 N ATOM 0 H ASN A 43 6.742 8.723 -6.629 1.00 0.00 H new ATOM 0 HA ASN A 43 5.831 8.885 -8.648 1.00 0.00 H new ATOM 0 HB2 ASN A 43 8.596 9.260 -8.981 1.00 0.00 H new ATOM 0 HB3 ASN A 43 8.176 8.130 -10.253 1.00 0.00 H new ATOM 0 HD21 ASN A 43 6.792 10.577 -12.331 1.00 0.00 H new ATOM 0 HD22 ASN A 43 7.507 8.974 -12.128 1.00 0.00 H new ATOM 694 N LYS A 44 5.852 6.008 -8.335 1.00 0.00 N ATOM 695 CA LYS A 44 5.427 4.671 -8.736 1.00 0.00 C ATOM 696 C LYS A 44 3.931 4.489 -8.509 1.00 0.00 C ATOM 697 O LYS A 44 3.410 4.822 -7.445 1.00 0.00 O ATOM 698 CB LYS A 44 6.205 3.609 -7.958 1.00 0.00 C ATOM 699 CG LYS A 44 7.673 3.525 -8.346 1.00 0.00 C ATOM 700 CD LYS A 44 7.862 2.760 -9.646 1.00 0.00 C ATOM 701 CE LYS A 44 7.614 1.271 -9.459 1.00 0.00 C ATOM 702 NZ LYS A 44 6.821 0.695 -10.580 1.00 0.00 N ATOM 0 H LYS A 44 5.765 6.197 -7.336 1.00 0.00 H new ATOM 0 HA LYS A 44 5.634 4.554 -9.800 1.00 0.00 H new ATOM 0 HB2 LYS A 44 6.131 3.824 -6.892 1.00 0.00 H new ATOM 0 HB3 LYS A 44 5.739 2.637 -8.120 1.00 0.00 H new ATOM 0 HG2 LYS A 44 8.081 4.530 -8.451 1.00 0.00 H new ATOM 0 HG3 LYS A 44 8.234 3.036 -7.550 1.00 0.00 H new ATOM 0 HD2 LYS A 44 7.181 3.151 -10.402 1.00 0.00 H new ATOM 0 HD3 LYS A 44 8.875 2.917 -10.018 1.00 0.00 H new ATOM 0 HE2 LYS A 44 8.569 0.750 -9.385 1.00 0.00 H new ATOM 0 HE3 LYS A 44 7.087 1.106 -8.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 6.674 -0.321 -10.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 5.899 1.174 -10.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 7.335 0.829 -11.474 1.00 0.00 H new ATOM 716 N LEU A 45 3.242 3.962 -9.516 1.00 0.00 N ATOM 717 CA LEU A 45 1.804 3.740 -9.423 1.00 0.00 C ATOM 718 C LEU A 45 1.472 2.255 -9.536 1.00 0.00 C ATOM 719 O LEU A 45 1.983 1.558 -10.413 1.00 0.00 O ATOM 720 CB LEU A 45 1.076 4.523 -10.517 1.00 0.00 C ATOM 721 CG LEU A 45 0.603 5.922 -10.107 1.00 0.00 C ATOM 722 CD1 LEU A 45 1.262 6.986 -10.972 1.00 0.00 C ATOM 723 CD2 LEU A 45 -0.913 6.023 -10.198 1.00 0.00 C ATOM 0 H LEU A 45 3.656 3.681 -10.405 1.00 0.00 H new ATOM 0 HA LEU A 45 1.469 4.093 -8.448 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.739 4.618 -11.377 1.00 0.00 H new ATOM 0 HB3 LEU A 45 0.211 3.945 -10.843 1.00 0.00 H new ATOM 0 HG LEU A 45 0.897 6.092 -9.071 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.913 7.972 -10.665 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.344 6.931 -10.855 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.001 6.818 -12.017 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.229 7.023 -9.903 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.230 5.830 -11.223 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -1.367 5.288 -9.533 1.00 0.00 H new ATOM 735 N GLY A 46 0.611 1.779 -8.643 1.00 0.00 N ATOM 736 CA GLY A 46 0.221 0.382 -8.656 1.00 0.00 C ATOM 737 C GLY A 46 -1.028 0.124 -7.837 1.00 0.00 C ATOM 738 O GLY A 46 -1.466 0.986 -7.075 1.00 0.00 O ATOM 0 H GLY A 46 0.176 2.338 -7.909 1.00 0.00 H new ATOM 0 HA2 GLY A 46 0.050 0.065 -9.685 1.00 0.00 H new ATOM 0 HA3 GLY A 46 1.039 -0.225 -8.267 1.00 0.00 H new ATOM 742 N LEU A 47 -1.603 -1.063 -7.992 1.00 0.00 N ATOM 743 CA LEU A 47 -2.810 -1.427 -7.258 1.00 0.00 C ATOM 744 C LEU A 47 -2.615 -2.739 -6.505 1.00 0.00 C ATOM 745 O LEU A 47 -1.878 -3.618 -6.950 1.00 0.00 O ATOM 746 CB LEU A 47 -3.996 -1.547 -8.218 1.00 0.00 C ATOM 747 CG LEU A 47 -5.318 -0.992 -7.687 1.00 0.00 C ATOM 748 CD1 LEU A 47 -6.301 -0.776 -8.827 1.00 0.00 C ATOM 749 CD2 LEU A 47 -5.906 -1.928 -6.642 1.00 0.00 C ATOM 0 H LEU A 47 -1.254 -1.789 -8.618 1.00 0.00 H new ATOM 0 HA LEU A 47 -3.016 -0.641 -6.532 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -3.748 -1.029 -9.144 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -4.136 -2.599 -8.469 1.00 0.00 H new ATOM 0 HG LEU A 47 -5.124 -0.029 -7.215 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -7.236 -0.381 -8.431 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -5.881 -0.067 -9.540 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -6.491 -1.725 -9.328 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -6.847 -1.518 -6.274 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -6.086 -2.905 -7.089 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -5.207 -2.032 -5.812 1.00 0.00 H new ATOM 761 N PHE A 48 -3.284 -2.863 -5.364 1.00 0.00 N ATOM 762 CA PHE A 48 -3.188 -4.070 -4.549 1.00 0.00 C ATOM 763 C PHE A 48 -4.284 -4.098 -3.486 1.00 0.00 C ATOM 764 O PHE A 48 -4.938 -3.088 -3.228 1.00 0.00 O ATOM 765 CB PHE A 48 -1.810 -4.167 -3.886 1.00 0.00 C ATOM 766 CG PHE A 48 -1.212 -2.838 -3.511 1.00 0.00 C ATOM 767 CD1 PHE A 48 -2.001 -1.830 -2.980 1.00 0.00 C ATOM 768 CD2 PHE A 48 0.142 -2.602 -3.686 1.00 0.00 C ATOM 769 CE1 PHE A 48 -1.451 -0.610 -2.633 1.00 0.00 C ATOM 770 CE2 PHE A 48 0.698 -1.385 -3.341 1.00 0.00 C ATOM 771 CZ PHE A 48 -0.100 -0.388 -2.814 1.00 0.00 C ATOM 0 H PHE A 48 -3.898 -2.144 -4.982 1.00 0.00 H new ATOM 0 HA PHE A 48 -3.322 -4.929 -5.206 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -1.893 -4.782 -2.990 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -1.128 -4.681 -4.563 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -3.058 -1.999 -2.836 1.00 0.00 H new ATOM 0 HD2 PHE A 48 0.770 -3.378 -4.097 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -2.077 0.168 -2.221 1.00 0.00 H new ATOM 0 HE2 PHE A 48 1.755 -1.213 -3.483 1.00 0.00 H new ATOM 0 HZ PHE A 48 0.332 0.564 -2.544 1.00 0.00 H new ATOM 781 N PRO A 49 -4.504 -5.265 -2.854 1.00 0.00 N ATOM 782 CA PRO A 49 -5.529 -5.422 -1.816 1.00 0.00 C ATOM 783 C PRO A 49 -5.270 -4.531 -0.606 1.00 0.00 C ATOM 784 O PRO A 49 -4.213 -4.607 0.021 1.00 0.00 O ATOM 785 CB PRO A 49 -5.428 -6.901 -1.420 1.00 0.00 C ATOM 786 CG PRO A 49 -4.704 -7.560 -2.544 1.00 0.00 C ATOM 787 CD PRO A 49 -3.777 -6.520 -3.103 1.00 0.00 C ATOM 0 HA PRO A 49 -6.516 -5.134 -2.179 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -4.888 -7.021 -0.481 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -6.416 -7.339 -1.278 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -4.149 -8.430 -2.194 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -5.401 -7.911 -3.305 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -2.808 -6.532 -2.604 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -3.590 -6.675 -4.166 1.00 0.00 H new ATOM 795 N SER A 50 -6.244 -3.686 -0.284 1.00 0.00 N ATOM 796 CA SER A 50 -6.130 -2.777 0.851 1.00 0.00 C ATOM 797 C SER A 50 -6.067 -3.543 2.172 1.00 0.00 C ATOM 798 O SER A 50 -5.622 -3.009 3.187 1.00 0.00 O ATOM 799 CB SER A 50 -7.311 -1.806 0.871 1.00 0.00 C ATOM 800 OG SER A 50 -7.096 -0.759 1.802 1.00 0.00 O ATOM 0 H SER A 50 -7.124 -3.612 -0.795 1.00 0.00 H new ATOM 0 HA SER A 50 -5.202 -2.216 0.737 1.00 0.00 H new ATOM 0 HB2 SER A 50 -7.458 -1.387 -0.124 1.00 0.00 H new ATOM 0 HB3 SER A 50 -8.223 -2.344 1.128 1.00 0.00 H new ATOM 0 HG SER A 50 -7.578 0.043 1.510 1.00 0.00 H new ATOM 806 N ASN A 51 -6.522 -4.793 2.154 1.00 0.00 N ATOM 807 CA ASN A 51 -6.522 -5.623 3.354 1.00 0.00 C ATOM 808 C ASN A 51 -5.104 -5.857 3.870 1.00 0.00 C ATOM 809 O ASN A 51 -4.910 -6.193 5.039 1.00 0.00 O ATOM 810 CB ASN A 51 -7.198 -6.965 3.067 1.00 0.00 C ATOM 811 CG ASN A 51 -7.925 -7.517 4.278 1.00 0.00 C ATOM 812 OD1 ASN A 51 -9.209 -7.811 4.114 1.00 0.00 O flip ATOM 813 ND2 ASN A 51 -7.338 -7.678 5.348 1.00 0.00 N flip ATOM 0 H ASN A 51 -6.895 -5.252 1.323 1.00 0.00 H new ATOM 0 HA ASN A 51 -7.081 -5.093 4.125 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -7.905 -6.844 2.246 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -6.447 -7.684 2.738 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -6.350 -7.438 5.429 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -7.840 -8.051 6.154 1.00 0.00 H new ATOM 820 N PHE A 52 -4.115 -5.681 2.999 1.00 0.00 N ATOM 821 CA PHE A 52 -2.721 -5.880 3.382 1.00 0.00 C ATOM 822 C PHE A 52 -2.194 -4.682 4.172 1.00 0.00 C ATOM 823 O PHE A 52 -2.201 -4.701 5.402 1.00 0.00 O ATOM 824 CB PHE A 52 -1.857 -6.123 2.142 1.00 0.00 C ATOM 825 CG PHE A 52 -1.652 -7.578 1.830 1.00 0.00 C ATOM 826 CD1 PHE A 52 -0.586 -8.274 2.377 1.00 0.00 C ATOM 827 CD2 PHE A 52 -2.527 -8.250 0.991 1.00 0.00 C ATOM 828 CE1 PHE A 52 -0.395 -9.613 2.092 1.00 0.00 C ATOM 829 CE2 PHE A 52 -2.341 -9.589 0.703 1.00 0.00 C ATOM 830 CZ PHE A 52 -1.274 -10.271 1.254 1.00 0.00 C ATOM 0 H PHE A 52 -4.252 -5.402 2.027 1.00 0.00 H new ATOM 0 HA PHE A 52 -2.668 -6.759 4.024 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -2.322 -5.638 1.284 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.886 -5.650 2.288 1.00 0.00 H new ATOM 0 HD1 PHE A 52 0.104 -7.764 3.034 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -3.363 -7.722 0.558 1.00 0.00 H new ATOM 0 HE1 PHE A 52 0.440 -10.144 2.524 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -3.030 -10.102 0.048 1.00 0.00 H new ATOM 0 HZ PHE A 52 -1.127 -11.317 1.030 1.00 0.00 H new ATOM 840 N VAL A 53 -1.735 -3.652 3.448 1.00 0.00 N ATOM 841 CA VAL A 53 -1.193 -2.417 4.040 1.00 0.00 C ATOM 842 C VAL A 53 -1.556 -2.238 5.514 1.00 0.00 C ATOM 843 O VAL A 53 -2.653 -2.594 5.944 1.00 0.00 O ATOM 844 CB VAL A 53 -1.667 -1.178 3.260 1.00 0.00 C ATOM 845 CG1 VAL A 53 -1.146 -1.214 1.832 1.00 0.00 C ATOM 846 CG2 VAL A 53 -3.185 -1.085 3.279 1.00 0.00 C ATOM 0 H VAL A 53 -1.728 -3.650 2.428 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.110 -2.516 3.974 1.00 0.00 H new ATOM 0 HB VAL A 53 -1.265 -0.289 3.746 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.492 -0.330 1.296 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -0.056 -1.229 1.843 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -1.516 -2.109 1.332 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -3.502 -0.203 2.723 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -3.610 -1.977 2.818 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -3.532 -1.008 4.309 1.00 0.00 H new ATOM 856 N LYS A 54 -0.635 -1.659 6.280 1.00 0.00 N ATOM 857 CA LYS A 54 -0.872 -1.421 7.698 1.00 0.00 C ATOM 858 C LYS A 54 -0.716 0.054 8.049 1.00 0.00 C ATOM 859 O LYS A 54 0.266 0.693 7.673 1.00 0.00 O ATOM 860 CB LYS A 54 0.074 -2.263 8.557 1.00 0.00 C ATOM 861 CG LYS A 54 -0.565 -2.772 9.838 1.00 0.00 C ATOM 862 CD LYS A 54 0.481 -3.106 10.892 1.00 0.00 C ATOM 863 CE LYS A 54 0.262 -2.315 12.173 1.00 0.00 C ATOM 864 NZ LYS A 54 1.538 -1.776 12.721 1.00 0.00 N ATOM 0 H LYS A 54 0.276 -1.348 5.944 1.00 0.00 H new ATOM 0 HA LYS A 54 -1.900 -1.717 7.909 1.00 0.00 H new ATOM 0 HB2 LYS A 54 0.424 -3.113 7.972 1.00 0.00 H new ATOM 0 HB3 LYS A 54 0.951 -1.667 8.809 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -1.248 -2.018 10.229 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -1.160 -3.659 9.621 1.00 0.00 H new ATOM 0 HD2 LYS A 54 0.447 -4.173 11.113 1.00 0.00 H new ATOM 0 HD3 LYS A 54 1.475 -2.893 10.498 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -0.425 -1.492 11.978 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -0.211 -2.955 12.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 1.344 -1.244 13.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 2.185 -2.563 12.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 1.977 -1.145 12.021 1.00 0.00 H new ATOM 878 N GLU A 55 -1.692 0.588 8.776 1.00 0.00 N ATOM 879 CA GLU A 55 -1.667 1.988 9.184 1.00 0.00 C ATOM 880 C GLU A 55 -0.905 2.157 10.495 1.00 0.00 C ATOM 881 O GLU A 55 -1.089 1.383 11.435 1.00 0.00 O ATOM 882 CB GLU A 55 -3.093 2.522 9.336 1.00 0.00 C ATOM 883 CG GLU A 55 -3.270 3.942 8.823 1.00 0.00 C ATOM 884 CD GLU A 55 -4.019 4.827 9.800 1.00 0.00 C ATOM 885 OE1 GLU A 55 -5.195 4.524 10.094 1.00 0.00 O ATOM 886 OE2 GLU A 55 -3.430 5.822 10.272 1.00 0.00 O ATOM 0 H GLU A 55 -2.511 0.071 9.095 1.00 0.00 H new ATOM 0 HA GLU A 55 -1.154 2.559 8.410 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -3.777 1.864 8.801 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -3.375 2.487 10.388 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -2.291 4.376 8.623 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -3.808 3.917 7.875 1.00 0.00 H new ATOM 893 N LEU A 56 -0.051 3.174 10.552 1.00 0.00 N ATOM 894 CA LEU A 56 0.737 3.444 11.748 1.00 0.00 C ATOM 895 C LEU A 56 -0.168 3.757 12.936 1.00 0.00 C ATOM 896 O LEU A 56 -1.393 3.769 12.810 1.00 0.00 O ATOM 897 CB LEU A 56 1.695 4.611 11.501 1.00 0.00 C ATOM 898 CG LEU A 56 2.754 4.363 10.425 1.00 0.00 C ATOM 899 CD1 LEU A 56 3.453 5.661 10.053 1.00 0.00 C ATOM 900 CD2 LEU A 56 3.764 3.330 10.901 1.00 0.00 C ATOM 0 H LEU A 56 0.113 3.824 9.783 1.00 0.00 H new ATOM 0 HA LEU A 56 1.316 2.550 11.980 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.111 5.487 11.219 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.199 4.852 12.437 1.00 0.00 H new ATOM 0 HG LEU A 56 2.257 3.975 9.536 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.203 5.464 9.287 1.00 0.00 H new ATOM 0 HD12 LEU A 56 2.721 6.372 9.670 1.00 0.00 H new ATOM 0 HD13 LEU A 56 3.938 6.079 10.935 1.00 0.00 H new ATOM 0 HD21 LEU A 56 4.510 3.165 10.124 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.255 3.691 11.805 1.00 0.00 H new ATOM 0 HD23 LEU A 56 3.252 2.392 11.116 1.00 0.00 H new ATOM 912 N GLU A 57 0.443 4.011 14.089 1.00 0.00 N ATOM 913 CA GLU A 57 -0.308 4.324 15.299 1.00 0.00 C ATOM 914 C GLU A 57 -0.618 5.816 15.376 1.00 0.00 C ATOM 915 O GLU A 57 0.204 6.651 14.999 1.00 0.00 O ATOM 916 CB GLU A 57 0.478 3.887 16.538 1.00 0.00 C ATOM 917 CG GLU A 57 -0.108 2.666 17.230 1.00 0.00 C ATOM 918 CD GLU A 57 -0.150 2.814 18.738 1.00 0.00 C ATOM 919 OE1 GLU A 57 -0.583 3.883 19.217 1.00 0.00 O ATOM 920 OE2 GLU A 57 0.251 1.862 19.440 1.00 0.00 O ATOM 0 H GLU A 57 1.456 4.006 14.210 1.00 0.00 H new ATOM 0 HA GLU A 57 -1.251 3.778 15.265 1.00 0.00 H new ATOM 0 HB2 GLU A 57 1.507 3.672 16.248 1.00 0.00 H new ATOM 0 HB3 GLU A 57 0.513 4.714 17.247 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -1.117 2.492 16.858 1.00 0.00 H new ATOM 0 HG3 GLU A 57 0.483 1.788 16.971 1.00 0.00 H new ATOM 927 N LEU A 58 -1.809 6.143 15.866 1.00 0.00 N ATOM 928 CA LEU A 58 -2.228 7.534 15.993 1.00 0.00 C ATOM 929 C LEU A 58 -2.323 7.942 17.460 1.00 0.00 C ATOM 930 O LEU A 58 -2.414 7.093 18.346 1.00 0.00 O ATOM 931 CB LEU A 58 -3.577 7.747 15.304 1.00 0.00 C ATOM 932 CG LEU A 58 -3.549 7.635 13.778 1.00 0.00 C ATOM 933 CD1 LEU A 58 -3.825 6.204 13.342 1.00 0.00 C ATOM 934 CD2 LEU A 58 -4.559 8.588 13.156 1.00 0.00 C ATOM 0 H LEU A 58 -2.501 5.464 16.182 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.478 8.159 15.509 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -4.286 7.017 15.694 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -3.954 8.733 15.574 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.554 7.913 13.430 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.801 6.144 12.254 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -3.064 5.544 13.759 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -4.808 5.897 13.701 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -4.526 8.495 12.070 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -5.559 8.340 13.511 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -4.316 9.612 13.440 1.00 0.00 H new ATOM 946 N GLU A 59 -2.301 9.248 17.708 1.00 0.00 N ATOM 947 CA GLU A 59 -2.385 9.769 19.067 1.00 0.00 C ATOM 948 C GLU A 59 -3.822 10.141 19.419 1.00 0.00 C ATOM 949 O GLU A 59 -4.110 11.283 19.780 1.00 0.00 O ATOM 950 CB GLU A 59 -1.474 10.989 19.223 1.00 0.00 C ATOM 951 CG GLU A 59 -1.654 12.026 18.126 1.00 0.00 C ATOM 952 CD GLU A 59 -1.043 13.366 18.485 1.00 0.00 C ATOM 953 OE1 GLU A 59 -1.690 14.134 19.228 1.00 0.00 O ATOM 954 OE2 GLU A 59 0.082 13.648 18.022 1.00 0.00 O ATOM 0 H GLU A 59 -2.226 9.964 16.986 1.00 0.00 H new ATOM 0 HA GLU A 59 -2.055 8.988 19.752 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -1.668 11.456 20.189 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -0.436 10.658 19.232 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -1.200 11.659 17.206 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -2.717 12.157 17.926 1.00 0.00 H new ATOM 961 N HIS A 60 -4.722 9.169 19.312 1.00 0.00 N ATOM 962 CA HIS A 60 -6.130 9.394 19.620 1.00 0.00 C ATOM 963 C HIS A 60 -6.719 10.469 18.713 1.00 0.00 C ATOM 964 O HIS A 60 -7.763 11.048 19.082 1.00 0.00 O ATOM 965 CB HIS A 60 -6.294 9.798 21.087 1.00 0.00 C ATOM 966 CG HIS A 60 -6.770 8.682 21.965 1.00 0.00 C ATOM 967 ND1 HIS A 60 -5.985 7.598 22.298 1.00 0.00 N ATOM 968 CD2 HIS A 60 -7.960 8.486 22.582 1.00 0.00 C ATOM 969 CE1 HIS A 60 -6.671 6.784 23.080 1.00 0.00 C ATOM 970 NE2 HIS A 60 -7.872 7.300 23.268 1.00 0.00 N ATOM 0 H HIS A 60 -4.502 8.219 19.015 1.00 0.00 H new ATOM 0 HA HIS A 60 -6.669 8.463 19.446 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -5.339 10.164 21.464 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -7.000 10.626 21.151 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -8.818 9.141 22.542 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -6.311 5.854 23.495 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -8.614 6.885 23.831 1.00 0.00 H new TER 979 HIS A 60