USER MOD reduce.3.24.130724 H: found=0, std=0, add=776, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 777 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 26 GLN : amide:sc= -1.59! C(o=-0.32!,f=-7.6!) USER MOD Set 1.2: A 29 ASN : amide:sc= 1.27 K(o=-0.32,f=-2.5) USER MOD Set 2.1: A 1 MET CE :methyl 140:sc= -0.218 (180deg=-0.933) USER MOD Set 2.2: A 86 TYR OH : rot 30:sc= 0.129 USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot -87:sc= 0.359 USER MOD Single : A 4 SER OG : rot 180:sc=-0.00153 USER MOD Single : A 6 CYS SG : rot 100:sc= -0.239 USER MOD Single : A 10 TYR OH : rot 180:sc= -0.123 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 HIS : no HE2:sc= 1.07 K(o=1.1,f=-3.2!) USER MOD Single : A 16 SER OG : rot 180:sc= 0.0629 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ -105:sc= 1.23 (180deg=0.23) USER MOD Single : A 23 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 28 THR OG1 : rot 79:sc= 0.268 USER MOD Single : A 30 THR OG1 : rot 90:sc= 1.23 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 90:sc= 1.31 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 CYS SG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 49 THR OG1 : rot 66:sc= 0.134 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= -0.203 K(o=-0.2,f=-0.89) USER MOD Single : A 63 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0677) USER MOD Single : A 66 THR OG1 : rot -170:sc= -0.67 USER MOD Single : A 68 SER OG : rot 73:sc= 0.32 USER MOD Single : A 76 SER OG : rot 72:sc= 0.833 USER MOD Single : A 82 THR OG1 : rot 65:sc= 0.233 USER MOD Single : A 91 ASN : amide:sc= -5.4! C(o=-5.4!,f=-9.1!) USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -14.912 3.438 5.681 1.00 0.00 N ATOM 2 CA MET A 1 -14.044 3.422 4.483 1.00 0.00 C ATOM 3 C MET A 1 -13.091 2.239 4.540 1.00 0.00 C ATOM 4 O MET A 1 -12.367 2.067 5.522 1.00 0.00 O ATOM 5 CB MET A 1 -13.233 4.716 4.392 1.00 0.00 C ATOM 6 CG MET A 1 -12.366 4.798 3.145 1.00 0.00 C ATOM 7 SD MET A 1 -13.335 4.924 1.631 1.00 0.00 S ATOM 8 CE MET A 1 -14.210 6.461 1.915 1.00 0.00 C ATOM 0 H1 MET A 1 -15.559 4.251 5.630 1.00 0.00 H new ATOM 0 H2 MET A 1 -15.465 2.558 5.721 1.00 0.00 H new ATOM 0 H3 MET A 1 -14.324 3.516 6.535 1.00 0.00 H new ATOM 0 HA MET A 1 -14.681 3.334 3.603 1.00 0.00 H new ATOM 0 HB2 MET A 1 -13.915 5.566 4.408 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.598 4.801 5.274 1.00 0.00 H new ATOM 0 HG2 MET A 1 -11.706 5.662 3.222 1.00 0.00 H new ATOM 0 HG3 MET A 1 -11.729 3.915 3.092 1.00 0.00 H new ATOM 0 HE1 MET A 1 -14.252 7.032 0.988 1.00 0.00 H new ATOM 0 HE2 MET A 1 -15.223 6.246 2.255 1.00 0.00 H new ATOM 0 HE3 MET A 1 -13.688 7.042 2.675 1.00 0.00 H new ATOM 20 N THR A 2 -13.077 1.432 3.488 1.00 0.00 N ATOM 21 CA THR A 2 -12.192 0.282 3.446 1.00 0.00 C ATOM 22 C THR A 2 -10.922 0.629 2.686 1.00 0.00 C ATOM 23 O THR A 2 -10.881 1.628 1.959 1.00 0.00 O ATOM 24 CB THR A 2 -12.873 -0.948 2.809 1.00 0.00 C ATOM 25 OG1 THR A 2 -13.334 -0.641 1.489 1.00 0.00 O ATOM 26 CG2 THR A 2 -14.043 -1.415 3.661 1.00 0.00 C ATOM 0 H THR A 2 -13.663 1.552 2.662 1.00 0.00 H new ATOM 0 HA THR A 2 -11.941 0.022 4.474 1.00 0.00 H new ATOM 0 HB THR A 2 -12.135 -1.748 2.751 1.00 0.00 H new ATOM 0 HG1 THR A 2 -14.231 -0.250 1.539 1.00 0.00 H new ATOM 0 HG21 THR A 2 -14.509 -2.283 3.194 1.00 0.00 H new ATOM 0 HG22 THR A 2 -13.685 -1.686 4.654 1.00 0.00 H new ATOM 0 HG23 THR A 2 -14.775 -0.612 3.746 1.00 0.00 H new ATOM 34 N PHE A 3 -9.892 -0.189 2.854 1.00 0.00 N ATOM 35 CA PHE A 3 -8.601 0.070 2.232 1.00 0.00 C ATOM 36 C PHE A 3 -8.731 0.102 0.712 1.00 0.00 C ATOM 37 O PHE A 3 -8.150 0.964 0.052 1.00 0.00 O ATOM 38 CB PHE A 3 -7.583 -0.990 2.659 1.00 0.00 C ATOM 39 CG PHE A 3 -6.191 -0.750 2.136 1.00 0.00 C ATOM 40 CD1 PHE A 3 -5.357 0.171 2.750 1.00 0.00 C ATOM 41 CD2 PHE A 3 -5.720 -1.446 1.035 1.00 0.00 C ATOM 42 CE1 PHE A 3 -4.078 0.393 2.277 1.00 0.00 C ATOM 43 CE2 PHE A 3 -4.441 -1.227 0.557 1.00 0.00 C ATOM 44 CZ PHE A 3 -3.620 -0.306 1.178 1.00 0.00 C ATOM 0 H PHE A 3 -9.926 -1.039 3.417 1.00 0.00 H new ATOM 0 HA PHE A 3 -8.249 1.046 2.565 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -7.549 -1.028 3.748 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -7.925 -1.966 2.316 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -5.711 0.722 3.609 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -6.358 -2.167 0.545 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -3.438 1.112 2.766 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -4.084 -1.776 -0.302 1.00 0.00 H new ATOM 0 HZ PHE A 3 -2.622 -0.133 0.805 1.00 0.00 H new ATOM 54 N SER A 4 -9.514 -0.822 0.163 1.00 0.00 N ATOM 55 CA SER A 4 -9.714 -0.893 -1.280 1.00 0.00 C ATOM 56 C SER A 4 -10.388 0.374 -1.803 1.00 0.00 C ATOM 57 O SER A 4 -9.981 0.921 -2.828 1.00 0.00 O ATOM 58 CB SER A 4 -10.550 -2.122 -1.639 1.00 0.00 C ATOM 59 OG SER A 4 -9.913 -3.310 -1.201 1.00 0.00 O ATOM 0 H SER A 4 -10.019 -1.531 0.695 1.00 0.00 H new ATOM 0 HA SER A 4 -8.736 -0.979 -1.754 1.00 0.00 H new ATOM 0 HB2 SER A 4 -11.536 -2.043 -1.181 1.00 0.00 H new ATOM 0 HB3 SER A 4 -10.702 -2.162 -2.718 1.00 0.00 H new ATOM 0 HG SER A 4 -10.465 -4.084 -1.439 1.00 0.00 H new ATOM 65 N GLU A 5 -11.402 0.842 -1.083 1.00 0.00 N ATOM 66 CA GLU A 5 -12.131 2.044 -1.466 1.00 0.00 C ATOM 67 C GLU A 5 -11.228 3.270 -1.411 1.00 0.00 C ATOM 68 O GLU A 5 -11.179 4.061 -2.353 1.00 0.00 O ATOM 69 CB GLU A 5 -13.326 2.236 -0.537 1.00 0.00 C ATOM 70 CG GLU A 5 -14.403 1.186 -0.713 1.00 0.00 C ATOM 71 CD GLU A 5 -15.508 1.318 0.310 1.00 0.00 C ATOM 72 OE1 GLU A 5 -15.209 1.241 1.521 1.00 0.00 O ATOM 73 OE2 GLU A 5 -16.677 1.489 -0.089 1.00 0.00 O ATOM 0 H GLU A 5 -11.739 0.403 -0.226 1.00 0.00 H new ATOM 0 HA GLU A 5 -12.481 1.925 -2.491 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -12.979 2.220 0.496 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -13.758 3.221 -0.713 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -14.826 1.268 -1.714 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -13.956 0.195 -0.636 1.00 0.00 H new ATOM 80 N CYS A 6 -10.502 3.401 -0.309 1.00 0.00 N ATOM 81 CA CYS A 6 -9.598 4.526 -0.101 1.00 0.00 C ATOM 82 C CYS A 6 -8.506 4.537 -1.162 1.00 0.00 C ATOM 83 O CYS A 6 -8.193 5.579 -1.741 1.00 0.00 O ATOM 84 CB CYS A 6 -8.969 4.436 1.287 1.00 0.00 C ATOM 85 SG CYS A 6 -8.120 5.940 1.820 1.00 0.00 S ATOM 0 H CYS A 6 -10.522 2.735 0.463 1.00 0.00 H new ATOM 0 HA CYS A 6 -10.170 5.451 -0.179 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -9.748 4.197 2.011 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -8.259 3.609 1.298 1.00 0.00 H new ATOM 0 HG CYS A 6 -8.893 6.615 2.618 1.00 0.00 H new ATOM 91 N ALA A 7 -7.926 3.369 -1.397 1.00 0.00 N ATOM 92 CA ALA A 7 -6.902 3.208 -2.423 1.00 0.00 C ATOM 93 C ALA A 7 -7.434 3.618 -3.790 1.00 0.00 C ATOM 94 O ALA A 7 -6.784 4.367 -4.516 1.00 0.00 O ATOM 95 CB ALA A 7 -6.401 1.773 -2.456 1.00 0.00 C ATOM 0 H ALA A 7 -8.148 2.513 -0.888 1.00 0.00 H new ATOM 0 HA ALA A 7 -6.066 3.861 -2.173 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -5.638 1.672 -3.227 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -5.974 1.514 -1.487 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -7.232 1.103 -2.677 1.00 0.00 H new ATOM 101 N ALA A 8 -8.631 3.139 -4.120 1.00 0.00 N ATOM 102 CA ALA A 8 -9.263 3.456 -5.394 1.00 0.00 C ATOM 103 C ALA A 8 -9.484 4.959 -5.533 1.00 0.00 C ATOM 104 O ALA A 8 -9.270 5.532 -6.604 1.00 0.00 O ATOM 105 CB ALA A 8 -10.581 2.708 -5.534 1.00 0.00 C ATOM 0 H ALA A 8 -9.183 2.528 -3.519 1.00 0.00 H new ATOM 0 HA ALA A 8 -8.595 3.136 -6.194 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -11.040 2.956 -6.491 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -10.397 1.635 -5.487 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -11.251 2.997 -4.724 1.00 0.00 H new ATOM 111 N LEU A 9 -9.905 5.594 -4.443 1.00 0.00 N ATOM 112 CA LEU A 9 -10.089 7.041 -4.419 1.00 0.00 C ATOM 113 C LEU A 9 -8.771 7.747 -4.702 1.00 0.00 C ATOM 114 O LEU A 9 -8.713 8.668 -5.515 1.00 0.00 O ATOM 115 CB LEU A 9 -10.643 7.497 -3.068 1.00 0.00 C ATOM 116 CG LEU A 9 -12.081 7.075 -2.774 1.00 0.00 C ATOM 117 CD1 LEU A 9 -12.479 7.508 -1.372 1.00 0.00 C ATOM 118 CD2 LEU A 9 -13.035 7.664 -3.802 1.00 0.00 C ATOM 0 H LEU A 9 -10.126 5.128 -3.563 1.00 0.00 H new ATOM 0 HA LEU A 9 -10.808 7.303 -5.195 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -9.999 7.106 -2.280 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -10.584 8.584 -3.018 1.00 0.00 H new ATOM 0 HG LEU A 9 -12.141 5.988 -2.836 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -13.506 7.201 -1.174 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -11.815 7.041 -0.645 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -12.402 8.592 -1.290 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -14.054 7.351 -3.574 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -12.975 8.752 -3.773 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -12.761 7.312 -4.796 1.00 0.00 H new ATOM 130 N TYR A 10 -7.713 7.297 -4.038 1.00 0.00 N ATOM 131 CA TYR A 10 -6.383 7.865 -4.230 1.00 0.00 C ATOM 132 C TYR A 10 -5.952 7.763 -5.691 1.00 0.00 C ATOM 133 O TYR A 10 -5.483 8.737 -6.283 1.00 0.00 O ATOM 134 CB TYR A 10 -5.366 7.138 -3.345 1.00 0.00 C ATOM 135 CG TYR A 10 -3.946 7.636 -3.513 1.00 0.00 C ATOM 136 CD1 TYR A 10 -3.512 8.779 -2.859 1.00 0.00 C ATOM 137 CD2 TYR A 10 -3.047 6.968 -4.334 1.00 0.00 C ATOM 138 CE1 TYR A 10 -2.222 9.244 -3.019 1.00 0.00 C ATOM 139 CE2 TYR A 10 -1.753 7.425 -4.495 1.00 0.00 C ATOM 140 CZ TYR A 10 -1.347 8.563 -3.838 1.00 0.00 C ATOM 141 OH TYR A 10 -0.067 9.029 -4.007 1.00 0.00 O ATOM 0 H TYR A 10 -7.750 6.537 -3.359 1.00 0.00 H new ATOM 0 HA TYR A 10 -6.422 8.918 -3.950 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -5.660 7.251 -2.301 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -5.397 6.072 -3.572 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -4.194 9.314 -2.214 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -3.364 6.077 -4.855 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -1.900 10.137 -2.505 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -1.064 6.892 -5.133 1.00 0.00 H new ATOM 0 HH TYR A 10 0.420 8.434 -4.614 1.00 0.00 H new ATOM 151 N ILE A 11 -6.115 6.573 -6.251 1.00 0.00 N ATOM 152 CA ILE A 11 -5.721 6.291 -7.627 1.00 0.00 C ATOM 153 C ILE A 11 -6.502 7.159 -8.617 1.00 0.00 C ATOM 154 O ILE A 11 -5.916 7.827 -9.467 1.00 0.00 O ATOM 155 CB ILE A 11 -5.933 4.795 -7.962 1.00 0.00 C ATOM 156 CG1 ILE A 11 -5.029 3.929 -7.077 1.00 0.00 C ATOM 157 CG2 ILE A 11 -5.664 4.524 -9.440 1.00 0.00 C ATOM 158 CD1 ILE A 11 -5.307 2.447 -7.190 1.00 0.00 C ATOM 0 H ILE A 11 -6.524 5.775 -5.766 1.00 0.00 H new ATOM 0 HA ILE A 11 -4.661 6.529 -7.719 1.00 0.00 H new ATOM 0 HB ILE A 11 -6.973 4.537 -7.761 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -3.989 4.116 -7.343 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.152 4.235 -6.038 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -5.820 3.466 -9.650 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -6.345 5.119 -10.049 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -4.635 4.793 -9.678 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -4.629 1.899 -6.536 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -6.337 2.247 -6.895 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -5.155 2.126 -8.221 1.00 0.00 H new ATOM 170 N LYS A 12 -7.820 7.187 -8.477 1.00 0.00 N ATOM 171 CA LYS A 12 -8.672 7.911 -9.414 1.00 0.00 C ATOM 172 C LYS A 12 -8.515 9.425 -9.269 1.00 0.00 C ATOM 173 O LYS A 12 -8.584 10.156 -10.258 1.00 0.00 O ATOM 174 CB LYS A 12 -10.135 7.498 -9.240 1.00 0.00 C ATOM 175 CG LYS A 12 -10.392 6.054 -9.653 1.00 0.00 C ATOM 176 CD LYS A 12 -11.856 5.657 -9.510 1.00 0.00 C ATOM 177 CE LYS A 12 -12.315 5.692 -8.062 1.00 0.00 C ATOM 178 NZ LYS A 12 -13.595 4.961 -7.866 1.00 0.00 N ATOM 0 H LYS A 12 -8.324 6.717 -7.724 1.00 0.00 H new ATOM 0 HA LYS A 12 -8.353 7.646 -10.422 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -10.424 7.630 -8.197 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -10.768 8.159 -9.832 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -10.081 5.915 -10.688 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -9.778 5.391 -9.044 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -12.474 6.331 -10.103 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -12.001 4.654 -9.912 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -11.546 5.253 -7.427 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -12.437 6.728 -7.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -13.873 5.009 -6.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -14.336 5.395 -8.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -13.473 3.966 -8.144 1.00 0.00 H new ATOM 192 N ALA A 13 -8.284 9.897 -8.049 1.00 0.00 N ATOM 193 CA ALA A 13 -8.147 11.330 -7.805 1.00 0.00 C ATOM 194 C ALA A 13 -6.759 11.846 -8.187 1.00 0.00 C ATOM 195 O ALA A 13 -6.461 13.028 -8.015 1.00 0.00 O ATOM 196 CB ALA A 13 -8.444 11.654 -6.349 1.00 0.00 C ATOM 0 H ALA A 13 -8.188 9.314 -7.218 1.00 0.00 H new ATOM 0 HA ALA A 13 -8.874 11.836 -8.440 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -8.337 12.726 -6.186 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -9.463 11.350 -6.109 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -7.745 11.118 -5.707 1.00 0.00 H new ATOM 202 N HIS A 14 -5.900 10.965 -8.688 1.00 0.00 N ATOM 203 CA HIS A 14 -4.560 11.367 -9.118 1.00 0.00 C ATOM 204 C HIS A 14 -4.207 10.738 -10.460 1.00 0.00 C ATOM 205 O HIS A 14 -3.066 10.824 -10.915 1.00 0.00 O ATOM 206 CB HIS A 14 -3.504 10.975 -8.078 1.00 0.00 C ATOM 207 CG HIS A 14 -3.635 11.698 -6.773 1.00 0.00 C ATOM 208 ND1 HIS A 14 -4.205 11.127 -5.657 1.00 0.00 N ATOM 209 CD2 HIS A 14 -3.265 12.949 -6.406 1.00 0.00 C ATOM 210 CE1 HIS A 14 -4.181 11.993 -4.660 1.00 0.00 C ATOM 211 NE2 HIS A 14 -3.620 13.107 -5.088 1.00 0.00 N ATOM 0 H HIS A 14 -6.103 9.973 -8.807 1.00 0.00 H new ATOM 0 HA HIS A 14 -4.566 12.452 -9.223 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -3.570 9.902 -7.895 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -2.514 11.168 -8.491 1.00 0.00 H new ATOM 0 HD1 HIS A 14 -4.586 10.182 -5.608 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -2.782 13.684 -7.032 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -4.557 11.818 -3.663 1.00 0.00 H new ATOM 220 N ARG A 15 -5.197 10.135 -11.108 1.00 0.00 N ATOM 221 CA ARG A 15 -4.966 9.436 -12.368 1.00 0.00 C ATOM 222 C ARG A 15 -4.652 10.422 -13.488 1.00 0.00 C ATOM 223 O ARG A 15 -4.135 10.042 -14.537 1.00 0.00 O ATOM 224 CB ARG A 15 -6.178 8.579 -12.748 1.00 0.00 C ATOM 225 CG ARG A 15 -7.412 9.379 -13.126 1.00 0.00 C ATOM 226 CD ARG A 15 -8.564 8.473 -13.531 1.00 0.00 C ATOM 227 NE ARG A 15 -9.713 9.246 -13.994 1.00 0.00 N ATOM 228 CZ ARG A 15 -10.978 8.842 -13.901 1.00 0.00 C ATOM 229 NH1 ARG A 15 -11.264 7.643 -13.406 1.00 0.00 N ATOM 230 NH2 ARG A 15 -11.960 9.633 -14.308 1.00 0.00 N ATOM 0 H ARG A 15 -6.164 10.115 -10.784 1.00 0.00 H new ATOM 0 HA ARG A 15 -4.106 8.781 -12.230 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -5.906 7.935 -13.584 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -6.424 7.926 -11.910 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -7.716 10.000 -12.283 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -7.172 10.053 -13.948 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -8.237 7.797 -14.321 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -8.858 7.854 -12.683 1.00 0.00 H new ATOM 0 HE ARG A 15 -9.534 10.157 -14.417 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -10.513 7.027 -13.095 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -12.235 7.338 -13.337 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -11.747 10.553 -14.693 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -12.929 9.322 -14.236 1.00 0.00 H new ATOM 244 N SER A 16 -4.970 11.685 -13.249 1.00 0.00 N ATOM 245 CA SER A 16 -4.676 12.752 -14.186 1.00 0.00 C ATOM 246 C SER A 16 -3.175 12.837 -14.452 1.00 0.00 C ATOM 247 O SER A 16 -2.741 13.138 -15.563 1.00 0.00 O ATOM 248 CB SER A 16 -5.174 14.064 -13.600 1.00 0.00 C ATOM 249 OG SER A 16 -6.343 13.856 -12.824 1.00 0.00 O ATOM 0 H SER A 16 -5.439 11.997 -12.399 1.00 0.00 H new ATOM 0 HA SER A 16 -5.176 12.550 -15.133 1.00 0.00 H new ATOM 0 HB2 SER A 16 -4.396 14.510 -12.981 1.00 0.00 H new ATOM 0 HB3 SER A 16 -5.386 14.770 -14.403 1.00 0.00 H new ATOM 0 HG SER A 16 -6.647 14.711 -12.454 1.00 0.00 H new ATOM 255 N SER A 17 -2.390 12.555 -13.421 1.00 0.00 N ATOM 256 CA SER A 17 -0.941 12.599 -13.522 1.00 0.00 C ATOM 257 C SER A 17 -0.428 11.364 -14.255 1.00 0.00 C ATOM 258 O SER A 17 0.692 11.343 -14.769 1.00 0.00 O ATOM 259 CB SER A 17 -0.322 12.685 -12.123 1.00 0.00 C ATOM 260 OG SER A 17 1.085 12.846 -12.185 1.00 0.00 O ATOM 0 H SER A 17 -2.738 12.292 -12.499 1.00 0.00 H new ATOM 0 HA SER A 17 -0.651 13.484 -14.089 1.00 0.00 H new ATOM 0 HB2 SER A 17 -0.761 13.522 -11.581 1.00 0.00 H new ATOM 0 HB3 SER A 17 -0.561 11.781 -11.562 1.00 0.00 H new ATOM 0 HG SER A 17 1.449 12.899 -11.276 1.00 0.00 H new ATOM 266 N TRP A 18 -1.263 10.339 -14.309 1.00 0.00 N ATOM 267 CA TRP A 18 -0.909 9.092 -14.965 1.00 0.00 C ATOM 268 C TRP A 18 -1.659 8.989 -16.291 1.00 0.00 C ATOM 269 O TRP A 18 -1.952 7.899 -16.780 1.00 0.00 O ATOM 270 CB TRP A 18 -1.241 7.906 -14.051 1.00 0.00 C ATOM 271 CG TRP A 18 -0.675 8.052 -12.666 1.00 0.00 C ATOM 272 CD1 TRP A 18 0.522 8.617 -12.322 1.00 0.00 C ATOM 273 CD2 TRP A 18 -1.276 7.619 -11.442 1.00 0.00 C ATOM 274 NE1 TRP A 18 0.689 8.577 -10.960 1.00 0.00 N ATOM 275 CE2 TRP A 18 -0.399 7.966 -10.397 1.00 0.00 C ATOM 276 CE3 TRP A 18 -2.474 6.980 -11.127 1.00 0.00 C ATOM 277 CZ2 TRP A 18 -0.683 7.691 -9.062 1.00 0.00 C ATOM 278 CZ3 TRP A 18 -2.754 6.704 -9.805 1.00 0.00 C ATOM 279 CH2 TRP A 18 -1.865 7.059 -8.785 1.00 0.00 C ATOM 0 H TRP A 18 -2.198 10.348 -13.902 1.00 0.00 H new ATOM 0 HA TRP A 18 0.162 9.072 -15.167 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -2.324 7.798 -13.985 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -0.856 6.990 -14.500 1.00 0.00 H new ATOM 0 HD1 TRP A 18 1.233 9.034 -13.020 1.00 0.00 H new ATOM 0 HE1 TRP A 18 1.493 8.943 -10.450 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -3.171 6.706 -11.905 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 0.003 7.966 -8.275 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -3.677 6.204 -9.552 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -2.116 6.830 -7.760 1.00 0.00 H new ATOM 340 N LYS A 22 -0.642 3.571 -18.523 1.00 0.00 N ATOM 341 CA LYS A 22 -1.292 2.426 -17.897 1.00 0.00 C ATOM 342 C LYS A 22 -1.003 2.370 -16.399 1.00 0.00 C ATOM 343 O LYS A 22 -1.465 1.463 -15.713 1.00 0.00 O ATOM 344 CB LYS A 22 -0.833 1.127 -18.564 1.00 0.00 C ATOM 345 CG LYS A 22 -1.605 0.781 -19.828 1.00 0.00 C ATOM 346 CD LYS A 22 -2.920 0.081 -19.504 1.00 0.00 C ATOM 347 CE LYS A 22 -2.674 -1.290 -18.886 1.00 0.00 C ATOM 348 NZ LYS A 22 -3.939 -2.020 -18.601 1.00 0.00 N ATOM 0 HA LYS A 22 -2.368 2.541 -18.031 1.00 0.00 H new ATOM 0 HB2 LYS A 22 0.226 1.209 -18.807 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -0.934 0.308 -17.852 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -1.805 1.691 -20.394 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -0.996 0.138 -20.463 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -3.502 0.694 -18.816 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -3.512 -0.027 -20.413 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -2.059 -1.885 -19.561 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -2.109 -1.172 -17.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -4.128 -2.001 -17.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -4.725 -1.564 -19.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -3.850 -3.006 -18.918 1.00 0.00 H new ATOM 362 N HIS A 23 -0.262 3.354 -15.895 1.00 0.00 N ATOM 363 CA HIS A 23 0.148 3.369 -14.489 1.00 0.00 C ATOM 364 C HIS A 23 -1.061 3.367 -13.558 1.00 0.00 C ATOM 365 O HIS A 23 -1.088 2.623 -12.583 1.00 0.00 O ATOM 366 CB HIS A 23 1.036 4.583 -14.185 1.00 0.00 C ATOM 367 CG HIS A 23 2.396 4.531 -14.822 1.00 0.00 C ATOM 368 ND1 HIS A 23 3.336 5.529 -14.673 1.00 0.00 N ATOM 369 CD2 HIS A 23 2.974 3.595 -15.618 1.00 0.00 C ATOM 370 CE1 HIS A 23 4.425 5.213 -15.348 1.00 0.00 C ATOM 371 NE2 HIS A 23 4.233 4.044 -15.927 1.00 0.00 N ATOM 0 H HIS A 23 0.068 4.152 -16.438 1.00 0.00 H new ATOM 0 HA HIS A 23 0.723 2.460 -14.312 1.00 0.00 H new ATOM 0 HB2 HIS A 23 0.525 5.485 -14.521 1.00 0.00 H new ATOM 0 HB3 HIS A 23 1.157 4.668 -13.105 1.00 0.00 H new ATOM 0 HD2 HIS A 23 2.526 2.669 -15.947 1.00 0.00 H new ATOM 0 HE1 HIS A 23 5.322 5.811 -15.415 1.00 0.00 H new ATOM 0 HE2 HIS A 23 4.911 3.553 -16.510 1.00 0.00 H new ATOM 380 N ALA A 24 -2.062 4.184 -13.872 1.00 0.00 N ATOM 381 CA ALA A 24 -3.276 4.269 -13.057 1.00 0.00 C ATOM 382 C ALA A 24 -3.974 2.913 -12.963 1.00 0.00 C ATOM 383 O ALA A 24 -4.484 2.528 -11.908 1.00 0.00 O ATOM 384 CB ALA A 24 -4.224 5.308 -13.636 1.00 0.00 C ATOM 0 H ALA A 24 -2.059 4.799 -14.686 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.987 4.571 -12.050 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -5.123 5.363 -13.022 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.733 6.281 -13.648 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.496 5.026 -14.653 1.00 0.00 H new ATOM 390 N ASP A 25 -3.980 2.190 -14.074 1.00 0.00 N ATOM 391 CA ASP A 25 -4.599 0.871 -14.133 1.00 0.00 C ATOM 392 C ASP A 25 -3.764 -0.135 -13.355 1.00 0.00 C ATOM 393 O ASP A 25 -4.287 -0.908 -12.553 1.00 0.00 O ATOM 394 CB ASP A 25 -4.745 0.427 -15.591 1.00 0.00 C ATOM 395 CG ASP A 25 -5.513 -0.870 -15.747 1.00 0.00 C ATOM 396 OD1 ASP A 25 -6.741 -0.872 -15.524 1.00 0.00 O ATOM 397 OD2 ASP A 25 -4.890 -1.886 -16.117 1.00 0.00 O ATOM 0 H ASP A 25 -3.561 2.496 -14.952 1.00 0.00 H new ATOM 0 HA ASP A 25 -5.590 0.924 -13.681 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -5.251 1.211 -16.154 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -3.754 0.310 -16.029 1.00 0.00 H new ATOM 402 N GLN A 26 -2.453 -0.090 -13.572 1.00 0.00 N ATOM 403 CA GLN A 26 -1.525 -1.000 -12.917 1.00 0.00 C ATOM 404 C GLN A 26 -1.529 -0.813 -11.402 1.00 0.00 C ATOM 405 O GLN A 26 -1.417 -1.787 -10.656 1.00 0.00 O ATOM 406 CB GLN A 26 -0.119 -0.796 -13.478 1.00 0.00 C ATOM 407 CG GLN A 26 -0.005 -1.096 -14.967 1.00 0.00 C ATOM 408 CD GLN A 26 -0.296 -2.549 -15.317 1.00 0.00 C ATOM 409 OE1 GLN A 26 -1.051 -3.241 -14.632 1.00 0.00 O ATOM 410 NE2 GLN A 26 0.289 -3.017 -16.407 1.00 0.00 N ATOM 0 H GLN A 26 -2.008 0.575 -14.204 1.00 0.00 H new ATOM 0 HA GLN A 26 -1.850 -2.021 -13.120 1.00 0.00 H new ATOM 0 HB2 GLN A 26 0.188 0.235 -13.299 1.00 0.00 H new ATOM 0 HB3 GLN A 26 0.576 -1.435 -12.933 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -0.696 -0.454 -15.513 1.00 0.00 H new ATOM 0 HG3 GLN A 26 1.000 -0.843 -15.305 1.00 0.00 H new ATOM 0 HE21 GLN A 26 0.909 -2.417 -16.951 1.00 0.00 H new ATOM 0 HE22 GLN A 26 0.121 -3.978 -16.704 1.00 0.00 H new ATOM 419 N TRP A 27 -1.653 0.436 -10.951 1.00 0.00 N ATOM 420 CA TRP A 27 -1.794 0.724 -9.525 1.00 0.00 C ATOM 421 C TRP A 27 -2.962 -0.063 -8.947 1.00 0.00 C ATOM 422 O TRP A 27 -2.813 -0.777 -7.950 1.00 0.00 O ATOM 423 CB TRP A 27 -2.036 2.219 -9.298 1.00 0.00 C ATOM 424 CG TRP A 27 -0.793 3.013 -9.039 1.00 0.00 C ATOM 425 CD1 TRP A 27 0.141 3.405 -9.951 1.00 0.00 C ATOM 426 CD2 TRP A 27 -0.366 3.535 -7.777 1.00 0.00 C ATOM 427 NE1 TRP A 27 1.128 4.131 -9.333 1.00 0.00 N ATOM 428 CE2 TRP A 27 0.840 4.226 -7.999 1.00 0.00 C ATOM 429 CE3 TRP A 27 -0.883 3.481 -6.480 1.00 0.00 C ATOM 430 CZ2 TRP A 27 1.533 4.860 -6.972 1.00 0.00 C ATOM 431 CZ3 TRP A 27 -0.196 4.111 -5.462 1.00 0.00 C ATOM 432 CH2 TRP A 27 1.002 4.793 -5.713 1.00 0.00 C ATOM 0 H TRP A 27 -1.659 1.261 -11.551 1.00 0.00 H new ATOM 0 HA TRP A 27 -0.870 0.432 -9.026 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -2.540 2.630 -10.173 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -2.714 2.341 -8.453 1.00 0.00 H new ATOM 0 HD1 TRP A 27 0.109 3.177 -11.006 1.00 0.00 H new ATOM 0 HE1 TRP A 27 1.944 4.534 -9.794 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -1.804 2.955 -6.277 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 2.457 5.386 -7.162 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -0.588 4.078 -4.456 1.00 0.00 H new ATOM 0 HH2 TRP A 27 1.517 5.276 -4.896 1.00 0.00 H new ATOM 443 N THR A 28 -4.107 0.055 -9.605 1.00 0.00 N ATOM 444 CA THR A 28 -5.319 -0.622 -9.178 1.00 0.00 C ATOM 445 C THR A 28 -5.129 -2.137 -9.183 1.00 0.00 C ATOM 446 O THR A 28 -5.382 -2.800 -8.178 1.00 0.00 O ATOM 447 CB THR A 28 -6.503 -0.243 -10.092 1.00 0.00 C ATOM 448 OG1 THR A 28 -6.601 1.183 -10.194 1.00 0.00 O ATOM 449 CG2 THR A 28 -7.811 -0.800 -9.552 1.00 0.00 C ATOM 0 H THR A 28 -4.220 0.621 -10.446 1.00 0.00 H new ATOM 0 HA THR A 28 -5.538 -0.301 -8.160 1.00 0.00 H new ATOM 0 HB THR A 28 -6.322 -0.674 -11.077 1.00 0.00 H new ATOM 0 HG1 THR A 28 -5.928 1.513 -10.825 1.00 0.00 H new ATOM 0 HG21 THR A 28 -8.628 -0.518 -10.216 1.00 0.00 H new ATOM 0 HG22 THR A 28 -7.748 -1.887 -9.496 1.00 0.00 H new ATOM 0 HG23 THR A 28 -7.996 -0.395 -8.557 1.00 0.00 H new ATOM 457 N ASN A 29 -4.644 -2.667 -10.304 1.00 0.00 N ATOM 458 CA ASN A 29 -4.458 -4.100 -10.475 1.00 0.00 C ATOM 459 C ASN A 29 -3.574 -4.692 -9.380 1.00 0.00 C ATOM 460 O ASN A 29 -3.896 -5.731 -8.801 1.00 0.00 O ATOM 461 CB ASN A 29 -3.828 -4.378 -11.838 1.00 0.00 C ATOM 462 CG ASN A 29 -4.711 -3.966 -12.997 1.00 0.00 C ATOM 463 OD1 ASN A 29 -5.938 -4.023 -12.915 1.00 0.00 O ATOM 464 ND2 ASN A 29 -4.088 -3.541 -14.088 1.00 0.00 N ATOM 0 H ASN A 29 -4.370 -2.113 -11.116 1.00 0.00 H new ATOM 0 HA ASN A 29 -5.439 -4.571 -10.409 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -2.878 -3.848 -11.907 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -3.606 -5.442 -11.919 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -4.628 -3.245 -14.901 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -3.069 -3.510 -14.114 1.00 0.00 H new ATOM 471 N THR A 30 -2.464 -4.023 -9.099 1.00 0.00 N ATOM 472 CA THR A 30 -1.502 -4.518 -8.124 1.00 0.00 C ATOM 473 C THR A 30 -2.113 -4.570 -6.723 1.00 0.00 C ATOM 474 O THR A 30 -2.123 -5.624 -6.080 1.00 0.00 O ATOM 475 CB THR A 30 -0.237 -3.637 -8.092 1.00 0.00 C ATOM 476 OG1 THR A 30 0.255 -3.419 -9.422 1.00 0.00 O ATOM 477 CG2 THR A 30 0.854 -4.289 -7.256 1.00 0.00 C ATOM 0 H THR A 30 -2.207 -3.136 -9.532 1.00 0.00 H new ATOM 0 HA THR A 30 -1.226 -5.527 -8.431 1.00 0.00 H new ATOM 0 HB THR A 30 -0.507 -2.681 -7.643 1.00 0.00 H new ATOM 0 HG1 THR A 30 -0.154 -2.610 -9.794 1.00 0.00 H new ATOM 0 HG21 THR A 30 1.737 -3.650 -7.248 1.00 0.00 H new ATOM 0 HG22 THR A 30 0.497 -4.428 -6.236 1.00 0.00 H new ATOM 0 HG23 THR A 30 1.111 -5.257 -7.685 1.00 0.00 H new ATOM 485 N ILE A 31 -2.648 -3.441 -6.270 1.00 0.00 N ATOM 486 CA ILE A 31 -3.187 -3.337 -4.920 1.00 0.00 C ATOM 487 C ILE A 31 -4.390 -4.259 -4.747 1.00 0.00 C ATOM 488 O ILE A 31 -4.534 -4.923 -3.718 1.00 0.00 O ATOM 489 CB ILE A 31 -3.592 -1.882 -4.588 1.00 0.00 C ATOM 490 CG1 ILE A 31 -2.379 -0.952 -4.708 1.00 0.00 C ATOM 491 CG2 ILE A 31 -4.200 -1.797 -3.193 1.00 0.00 C ATOM 492 CD1 ILE A 31 -2.714 0.513 -4.515 1.00 0.00 C ATOM 0 H ILE A 31 -2.720 -2.584 -6.819 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.401 -3.643 -4.229 1.00 0.00 H new ATOM 0 HB ILE A 31 -4.347 -1.561 -5.306 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -1.633 -1.245 -3.970 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -1.925 -1.086 -5.690 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -4.478 -0.765 -2.979 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -5.087 -2.429 -3.143 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -3.471 -2.136 -2.457 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -1.807 1.110 -4.614 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.437 0.823 -5.270 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -3.139 0.661 -3.522 1.00 0.00 H new ATOM 504 N LYS A 32 -5.227 -4.319 -5.777 1.00 0.00 N ATOM 505 CA LYS A 32 -6.419 -5.160 -5.770 1.00 0.00 C ATOM 506 C LYS A 32 -6.044 -6.624 -5.576 1.00 0.00 C ATOM 507 O LYS A 32 -6.756 -7.381 -4.917 1.00 0.00 O ATOM 508 CB LYS A 32 -7.171 -4.992 -7.093 1.00 0.00 C ATOM 509 CG LYS A 32 -8.518 -5.692 -7.150 1.00 0.00 C ATOM 510 CD LYS A 32 -9.193 -5.451 -8.488 1.00 0.00 C ATOM 511 CE LYS A 32 -10.538 -6.144 -8.567 1.00 0.00 C ATOM 512 NZ LYS A 32 -11.204 -5.897 -9.870 1.00 0.00 N ATOM 0 H LYS A 32 -5.099 -3.788 -6.638 1.00 0.00 H new ATOM 0 HA LYS A 32 -7.058 -4.853 -4.942 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -7.321 -3.928 -7.277 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -6.546 -5.370 -7.902 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -8.384 -6.762 -6.992 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -9.156 -5.329 -6.345 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -9.325 -4.380 -8.642 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -8.550 -5.811 -9.291 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -10.404 -7.216 -8.423 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -11.178 -5.791 -7.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -12.122 -6.386 -9.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -11.353 -4.875 -9.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -10.604 -6.256 -10.640 1.00 0.00 H new ATOM 526 N THR A 33 -4.913 -7.011 -6.150 1.00 0.00 N ATOM 527 CA THR A 33 -4.481 -8.400 -6.126 1.00 0.00 C ATOM 528 C THR A 33 -3.788 -8.767 -4.810 1.00 0.00 C ATOM 529 O THR A 33 -4.168 -9.733 -4.151 1.00 0.00 O ATOM 530 CB THR A 33 -3.529 -8.689 -7.309 1.00 0.00 C ATOM 531 OG1 THR A 33 -4.195 -8.404 -8.549 1.00 0.00 O ATOM 532 CG2 THR A 33 -3.068 -10.139 -7.312 1.00 0.00 C ATOM 0 H THR A 33 -4.278 -6.380 -6.639 1.00 0.00 H new ATOM 0 HA THR A 33 -5.377 -9.014 -6.216 1.00 0.00 H new ATOM 0 HB THR A 33 -2.654 -8.049 -7.196 1.00 0.00 H new ATOM 0 HG1 THR A 33 -4.036 -7.470 -8.799 1.00 0.00 H new ATOM 0 HG21 THR A 33 -2.400 -10.307 -8.157 1.00 0.00 H new ATOM 0 HG22 THR A 33 -2.539 -10.355 -6.383 1.00 0.00 H new ATOM 0 HG23 THR A 33 -3.934 -10.796 -7.398 1.00 0.00 H new ATOM 540 N TYR A 34 -2.781 -7.993 -4.430 1.00 0.00 N ATOM 541 CA TYR A 34 -1.970 -8.321 -3.260 1.00 0.00 C ATOM 542 C TYR A 34 -2.638 -7.918 -1.946 1.00 0.00 C ATOM 543 O TYR A 34 -2.734 -8.719 -1.019 1.00 0.00 O ATOM 544 CB TYR A 34 -0.584 -7.683 -3.377 1.00 0.00 C ATOM 545 CG TYR A 34 0.238 -8.253 -4.515 1.00 0.00 C ATOM 546 CD1 TYR A 34 0.822 -9.510 -4.410 1.00 0.00 C ATOM 547 CD2 TYR A 34 0.413 -7.549 -5.697 1.00 0.00 C ATOM 548 CE1 TYR A 34 1.560 -10.043 -5.447 1.00 0.00 C ATOM 549 CE2 TYR A 34 1.147 -8.078 -6.742 1.00 0.00 C ATOM 550 CZ TYR A 34 1.719 -9.325 -6.610 1.00 0.00 C ATOM 551 OH TYR A 34 2.441 -9.862 -7.652 1.00 0.00 O ATOM 0 H TYR A 34 -2.505 -7.137 -4.911 1.00 0.00 H new ATOM 0 HA TYR A 34 -1.866 -9.406 -3.239 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -0.696 -6.608 -3.520 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -0.045 -7.825 -2.440 1.00 0.00 H new ATOM 0 HD1 TYR A 34 0.696 -10.079 -3.501 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -0.032 -6.571 -5.803 1.00 0.00 H new ATOM 0 HE1 TYR A 34 2.011 -11.019 -5.346 1.00 0.00 H new ATOM 0 HE2 TYR A 34 1.272 -7.517 -7.657 1.00 0.00 H new ATOM 0 HH TYR A 34 2.457 -9.228 -8.399 1.00 0.00 H new ATOM 561 N CYS A 35 -3.108 -6.681 -1.868 1.00 0.00 N ATOM 562 CA CYS A 35 -3.632 -6.149 -0.615 1.00 0.00 C ATOM 563 C CYS A 35 -5.132 -6.407 -0.482 1.00 0.00 C ATOM 564 O CYS A 35 -5.678 -6.376 0.623 1.00 0.00 O ATOM 565 CB CYS A 35 -3.352 -4.650 -0.534 1.00 0.00 C ATOM 566 SG CYS A 35 -1.621 -4.214 -0.830 1.00 0.00 S ATOM 0 H CYS A 35 -3.138 -6.029 -2.652 1.00 0.00 H new ATOM 0 HA CYS A 35 -3.130 -6.661 0.206 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -3.977 -4.133 -1.262 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -3.645 -4.288 0.451 1.00 0.00 H new ATOM 0 HG CYS A 35 -1.477 -2.925 -0.744 1.00 0.00 H new ATOM 572 N GLY A 36 -5.775 -6.681 -1.613 1.00 0.00 N ATOM 573 CA GLY A 36 -7.219 -6.850 -1.661 1.00 0.00 C ATOM 574 C GLY A 36 -7.764 -7.881 -0.681 1.00 0.00 C ATOM 575 O GLY A 36 -8.502 -7.525 0.235 1.00 0.00 O ATOM 0 H GLY A 36 -5.311 -6.791 -2.515 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -7.692 -5.889 -1.459 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -7.505 -7.140 -2.672 1.00 0.00 H new ATOM 579 N PRO A 37 -7.413 -9.170 -0.839 1.00 0.00 N ATOM 580 CA PRO A 37 -7.996 -10.253 -0.033 1.00 0.00 C ATOM 581 C PRO A 37 -7.670 -10.149 1.459 1.00 0.00 C ATOM 582 O PRO A 37 -8.361 -10.736 2.295 1.00 0.00 O ATOM 583 CB PRO A 37 -7.364 -11.526 -0.613 1.00 0.00 C ATOM 584 CG PRO A 37 -6.785 -11.129 -1.928 1.00 0.00 C ATOM 585 CD PRO A 37 -6.429 -9.679 -1.809 1.00 0.00 C ATOM 0 HA PRO A 37 -9.084 -10.226 -0.085 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -6.594 -11.918 0.051 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -8.109 -12.312 -0.735 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -5.905 -11.728 -2.162 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -7.502 -11.289 -2.733 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -5.407 -9.543 -1.455 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -6.505 -9.166 -2.767 1.00 0.00 H new ATOM 593 N VAL A 38 -6.627 -9.402 1.793 1.00 0.00 N ATOM 594 CA VAL A 38 -6.166 -9.326 3.173 1.00 0.00 C ATOM 595 C VAL A 38 -6.750 -8.115 3.900 1.00 0.00 C ATOM 596 O VAL A 38 -7.633 -8.256 4.744 1.00 0.00 O ATOM 597 CB VAL A 38 -4.626 -9.272 3.255 1.00 0.00 C ATOM 598 CG1 VAL A 38 -4.162 -9.363 4.701 1.00 0.00 C ATOM 599 CG2 VAL A 38 -4.001 -10.377 2.414 1.00 0.00 C ATOM 0 H VAL A 38 -6.087 -8.843 1.133 1.00 0.00 H new ATOM 0 HA VAL A 38 -6.517 -10.234 3.663 1.00 0.00 H new ATOM 0 HB VAL A 38 -4.296 -8.314 2.852 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -3.073 -9.323 4.737 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -4.575 -8.529 5.269 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -4.505 -10.302 5.135 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -2.915 -10.320 2.487 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.338 -11.347 2.779 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.302 -10.256 1.373 1.00 0.00 H new ATOM 609 N ILE A 39 -6.265 -6.926 3.559 1.00 0.00 N ATOM 610 CA ILE A 39 -6.649 -5.713 4.273 1.00 0.00 C ATOM 611 C ILE A 39 -7.610 -4.868 3.449 1.00 0.00 C ATOM 612 O ILE A 39 -8.041 -3.805 3.886 1.00 0.00 O ATOM 613 CB ILE A 39 -5.419 -4.860 4.659 1.00 0.00 C ATOM 614 CG1 ILE A 39 -4.584 -4.517 3.422 1.00 0.00 C ATOM 615 CG2 ILE A 39 -4.568 -5.583 5.700 1.00 0.00 C ATOM 616 CD1 ILE A 39 -3.424 -3.590 3.713 1.00 0.00 C ATOM 0 H ILE A 39 -5.607 -6.776 2.794 1.00 0.00 H new ATOM 0 HA ILE A 39 -7.149 -6.035 5.186 1.00 0.00 H new ATOM 0 HB ILE A 39 -5.776 -3.928 5.096 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -4.201 -5.439 2.985 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -5.229 -4.055 2.675 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -3.707 -4.966 5.958 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -5.164 -5.766 6.594 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -4.224 -6.533 5.292 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -2.877 -3.391 2.791 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.801 -2.652 4.121 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -2.757 -4.058 4.436 1.00 0.00 H new ATOM 628 N GLY A 40 -7.952 -5.362 2.268 1.00 0.00 N ATOM 629 CA GLY A 40 -8.832 -4.642 1.366 1.00 0.00 C ATOM 630 C GLY A 40 -10.162 -4.252 1.997 1.00 0.00 C ATOM 631 O GLY A 40 -10.463 -3.064 2.109 1.00 0.00 O ATOM 0 H GLY A 40 -7.631 -6.263 1.913 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -8.326 -3.741 1.019 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -9.023 -5.259 0.488 1.00 0.00 H new ATOM 635 N PRO A 41 -10.990 -5.235 2.400 1.00 0.00 N ATOM 636 CA PRO A 41 -12.313 -4.972 2.984 1.00 0.00 C ATOM 637 C PRO A 41 -12.248 -4.490 4.433 1.00 0.00 C ATOM 638 O PRO A 41 -13.278 -4.332 5.092 1.00 0.00 O ATOM 639 CB PRO A 41 -12.997 -6.335 2.909 1.00 0.00 C ATOM 640 CG PRO A 41 -11.881 -7.313 3.015 1.00 0.00 C ATOM 641 CD PRO A 41 -10.714 -6.684 2.308 1.00 0.00 C ATOM 0 HA PRO A 41 -12.835 -4.174 2.455 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -13.717 -6.464 3.717 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -13.543 -6.455 1.973 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -11.641 -7.520 4.058 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -12.150 -8.264 2.555 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -9.769 -6.943 2.786 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -10.648 -7.014 1.271 1.00 0.00 H new ATOM 649 N LEU A 42 -11.045 -4.269 4.929 1.00 0.00 N ATOM 650 CA LEU A 42 -10.865 -3.774 6.279 1.00 0.00 C ATOM 651 C LEU A 42 -10.871 -2.256 6.274 1.00 0.00 C ATOM 652 O LEU A 42 -10.553 -1.632 5.260 1.00 0.00 O ATOM 653 CB LEU A 42 -9.557 -4.298 6.874 1.00 0.00 C ATOM 654 CG LEU A 42 -9.465 -5.820 7.000 1.00 0.00 C ATOM 655 CD1 LEU A 42 -8.136 -6.226 7.616 1.00 0.00 C ATOM 656 CD2 LEU A 42 -10.620 -6.360 7.828 1.00 0.00 C ATOM 0 H LEU A 42 -10.177 -4.425 4.416 1.00 0.00 H new ATOM 0 HA LEU A 42 -11.688 -4.132 6.897 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -8.730 -3.949 6.256 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -9.424 -3.858 7.863 1.00 0.00 H new ATOM 0 HG LEU A 42 -9.528 -6.249 6.000 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -8.089 -7.312 7.697 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -7.320 -5.874 6.985 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -8.044 -5.784 8.608 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -10.536 -7.444 7.906 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -10.589 -5.921 8.825 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -11.564 -6.102 7.347 1.00 0.00 H new ATOM 668 N SER A 43 -11.255 -1.666 7.396 1.00 0.00 N ATOM 669 CA SER A 43 -11.275 -0.239 7.538 1.00 0.00 C ATOM 670 C SER A 43 -9.863 0.324 7.388 1.00 0.00 C ATOM 671 O SER A 43 -8.896 -0.275 7.862 1.00 0.00 O ATOM 672 CB SER A 43 -11.841 0.085 8.908 1.00 0.00 C ATOM 673 OG SER A 43 -13.077 -0.577 9.121 1.00 0.00 O ATOM 0 H SER A 43 -11.559 -2.173 8.227 1.00 0.00 H new ATOM 0 HA SER A 43 -11.895 0.214 6.764 1.00 0.00 H new ATOM 0 HB2 SER A 43 -11.129 -0.212 9.678 1.00 0.00 H new ATOM 0 HB3 SER A 43 -11.981 1.162 9.001 1.00 0.00 H new ATOM 0 HG SER A 43 -13.419 -0.353 10.012 1.00 0.00 H new ATOM 679 N VAL A 44 -9.745 1.474 6.739 1.00 0.00 N ATOM 680 CA VAL A 44 -8.440 2.065 6.460 1.00 0.00 C ATOM 681 C VAL A 44 -7.741 2.507 7.752 1.00 0.00 C ATOM 682 O VAL A 44 -6.509 2.554 7.826 1.00 0.00 O ATOM 683 CB VAL A 44 -8.561 3.253 5.473 1.00 0.00 C ATOM 684 CG1 VAL A 44 -9.408 4.377 6.050 1.00 0.00 C ATOM 685 CG2 VAL A 44 -7.191 3.769 5.068 1.00 0.00 C ATOM 0 H VAL A 44 -10.536 2.018 6.395 1.00 0.00 H new ATOM 0 HA VAL A 44 -7.828 1.295 5.990 1.00 0.00 H new ATOM 0 HB VAL A 44 -9.065 2.882 4.581 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -9.470 5.192 5.329 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -10.410 4.005 6.264 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -8.952 4.740 6.971 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -7.306 4.602 4.375 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -6.652 4.106 5.954 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -6.630 2.970 4.584 1.00 0.00 H new ATOM 695 N GLN A 45 -8.529 2.809 8.778 1.00 0.00 N ATOM 696 CA GLN A 45 -7.980 3.152 10.085 1.00 0.00 C ATOM 697 C GLN A 45 -7.607 1.881 10.845 1.00 0.00 C ATOM 698 O GLN A 45 -6.761 1.903 11.741 1.00 0.00 O ATOM 699 CB GLN A 45 -8.983 3.977 10.895 1.00 0.00 C ATOM 700 CG GLN A 45 -8.403 4.529 12.186 1.00 0.00 C ATOM 701 CD GLN A 45 -9.371 5.421 12.928 1.00 0.00 C ATOM 702 OE1 GLN A 45 -10.587 5.242 12.854 1.00 0.00 O ATOM 703 NE2 GLN A 45 -8.838 6.397 13.640 1.00 0.00 N ATOM 0 H GLN A 45 -9.548 2.823 8.730 1.00 0.00 H new ATOM 0 HA GLN A 45 -7.083 3.754 9.936 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -9.341 4.805 10.283 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -9.848 3.357 11.129 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -8.111 3.701 12.832 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -7.497 5.092 11.961 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -7.825 6.509 13.674 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -9.440 7.039 14.156 1.00 0.00 H new ATOM 712 N ASP A 46 -8.212 0.769 10.448 1.00 0.00 N ATOM 713 CA ASP A 46 -7.997 -0.513 11.116 1.00 0.00 C ATOM 714 C ASP A 46 -6.791 -1.245 10.549 1.00 0.00 C ATOM 715 O ASP A 46 -6.508 -2.379 10.928 1.00 0.00 O ATOM 716 CB ASP A 46 -9.234 -1.403 11.001 1.00 0.00 C ATOM 717 CG ASP A 46 -10.239 -1.147 12.101 1.00 0.00 C ATOM 718 OD1 ASP A 46 -10.858 -0.065 12.113 1.00 0.00 O ATOM 719 OD2 ASP A 46 -10.408 -2.028 12.974 1.00 0.00 O ATOM 0 H ASP A 46 -8.860 0.727 9.662 1.00 0.00 H new ATOM 0 HA ASP A 46 -7.807 -0.296 12.167 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -9.709 -1.236 10.034 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -8.928 -2.449 11.029 1.00 0.00 H new ATOM 724 N VAL A 47 -6.087 -0.602 9.635 1.00 0.00 N ATOM 725 CA VAL A 47 -4.863 -1.169 9.094 1.00 0.00 C ATOM 726 C VAL A 47 -3.733 -1.039 10.109 1.00 0.00 C ATOM 727 O VAL A 47 -3.215 0.055 10.337 1.00 0.00 O ATOM 728 CB VAL A 47 -4.447 -0.488 7.772 1.00 0.00 C ATOM 729 CG1 VAL A 47 -3.167 -1.108 7.223 1.00 0.00 C ATOM 730 CG2 VAL A 47 -5.566 -0.579 6.747 1.00 0.00 C ATOM 0 H VAL A 47 -6.339 0.309 9.252 1.00 0.00 H new ATOM 0 HA VAL A 47 -5.056 -2.221 8.885 1.00 0.00 H new ATOM 0 HB VAL A 47 -4.255 0.565 7.979 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -2.893 -0.613 6.292 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.363 -0.986 7.949 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -3.328 -2.170 7.035 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -5.253 -0.093 5.823 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -5.793 -1.626 6.548 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -6.456 -0.083 7.135 1.00 0.00 H new ATOM 740 N ASP A 48 -3.388 -2.155 10.742 1.00 0.00 N ATOM 741 CA ASP A 48 -2.298 -2.188 11.709 1.00 0.00 C ATOM 742 C ASP A 48 -1.046 -2.768 11.080 1.00 0.00 C ATOM 743 O ASP A 48 -1.093 -3.335 9.986 1.00 0.00 O ATOM 744 CB ASP A 48 -2.661 -3.025 12.941 1.00 0.00 C ATOM 745 CG ASP A 48 -3.601 -2.314 13.889 1.00 0.00 C ATOM 746 OD1 ASP A 48 -3.154 -1.365 14.569 1.00 0.00 O ATOM 747 OD2 ASP A 48 -4.781 -2.708 13.977 1.00 0.00 O ATOM 0 H ASP A 48 -3.851 -3.053 10.601 1.00 0.00 H new ATOM 0 HA ASP A 48 -2.117 -1.159 12.021 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.121 -3.958 12.616 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -1.748 -3.289 13.475 1.00 0.00 H new ATOM 752 N THR A 49 0.061 -2.665 11.794 1.00 0.00 N ATOM 753 CA THR A 49 1.337 -3.174 11.319 1.00 0.00 C ATOM 754 C THR A 49 1.306 -4.695 11.208 1.00 0.00 C ATOM 755 O THR A 49 1.895 -5.273 10.293 1.00 0.00 O ATOM 756 CB THR A 49 2.470 -2.744 12.265 1.00 0.00 C ATOM 757 OG1 THR A 49 1.906 -2.173 13.458 1.00 0.00 O ATOM 758 CG2 THR A 49 3.390 -1.737 11.590 1.00 0.00 C ATOM 0 H THR A 49 0.102 -2.229 12.715 1.00 0.00 H new ATOM 0 HA THR A 49 1.521 -2.756 10.329 1.00 0.00 H new ATOM 0 HB THR A 49 3.062 -3.622 12.523 1.00 0.00 H new ATOM 0 HG1 THR A 49 1.420 -2.865 13.953 1.00 0.00 H new ATOM 0 HG21 THR A 49 4.183 -1.449 12.280 1.00 0.00 H new ATOM 0 HG22 THR A 49 3.830 -2.186 10.699 1.00 0.00 H new ATOM 0 HG23 THR A 49 2.817 -0.854 11.306 1.00 0.00 H new ATOM 766 N LYS A 50 0.594 -5.330 12.137 1.00 0.00 N ATOM 767 CA LYS A 50 0.454 -6.782 12.154 1.00 0.00 C ATOM 768 C LYS A 50 -0.226 -7.254 10.872 1.00 0.00 C ATOM 769 O LYS A 50 0.184 -8.242 10.262 1.00 0.00 O ATOM 770 CB LYS A 50 -0.362 -7.206 13.387 1.00 0.00 C ATOM 771 CG LYS A 50 -0.064 -8.610 13.900 1.00 0.00 C ATOM 772 CD LYS A 50 -0.546 -9.693 12.950 1.00 0.00 C ATOM 773 CE LYS A 50 -0.197 -11.078 13.467 1.00 0.00 C ATOM 774 NZ LYS A 50 -0.575 -12.143 12.501 1.00 0.00 N ATOM 0 H LYS A 50 0.102 -4.855 12.894 1.00 0.00 H new ATOM 0 HA LYS A 50 1.441 -7.242 12.210 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -0.176 -6.494 14.191 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -1.422 -7.141 13.143 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.010 -8.717 14.052 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -0.539 -8.746 14.872 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -1.625 -9.612 12.821 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -0.096 -9.545 11.968 1.00 0.00 H new ATOM 0 HE2 LYS A 50 0.873 -11.132 13.666 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -0.707 -11.250 14.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -0.320 -13.072 12.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -1.600 -12.109 12.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -0.069 -11.994 11.604 1.00 0.00 H new ATOM 788 N LEU A 51 -1.252 -6.520 10.458 1.00 0.00 N ATOM 789 CA LEU A 51 -1.999 -6.840 9.253 1.00 0.00 C ATOM 790 C LEU A 51 -1.137 -6.624 8.010 1.00 0.00 C ATOM 791 O LEU A 51 -1.200 -7.398 7.056 1.00 0.00 O ATOM 792 CB LEU A 51 -3.261 -5.981 9.187 1.00 0.00 C ATOM 793 CG LEU A 51 -4.270 -6.218 10.311 1.00 0.00 C ATOM 794 CD1 LEU A 51 -5.471 -5.302 10.143 1.00 0.00 C ATOM 795 CD2 LEU A 51 -4.713 -7.673 10.332 1.00 0.00 C ATOM 0 H LEU A 51 -1.587 -5.690 10.948 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.286 -7.891 9.284 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.968 -4.931 9.199 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -3.755 -6.163 8.233 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.788 -5.991 11.262 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -6.181 -5.482 10.950 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -5.143 -4.263 10.173 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -5.951 -5.504 9.186 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -5.431 -7.823 11.138 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -5.179 -7.925 9.379 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.847 -8.315 10.493 1.00 0.00 H new ATOM 807 N ILE A 52 -0.332 -5.569 8.039 1.00 0.00 N ATOM 808 CA ILE A 52 0.592 -5.269 6.951 1.00 0.00 C ATOM 809 C ILE A 52 1.613 -6.395 6.780 1.00 0.00 C ATOM 810 O ILE A 52 1.965 -6.764 5.657 1.00 0.00 O ATOM 811 CB ILE A 52 1.319 -3.931 7.206 1.00 0.00 C ATOM 812 CG1 ILE A 52 0.308 -2.780 7.194 1.00 0.00 C ATOM 813 CG2 ILE A 52 2.412 -3.698 6.171 1.00 0.00 C ATOM 814 CD1 ILE A 52 0.899 -1.439 7.580 1.00 0.00 C ATOM 0 H ILE A 52 -0.300 -4.902 8.810 1.00 0.00 H new ATOM 0 HA ILE A 52 0.012 -5.183 6.032 1.00 0.00 H new ATOM 0 HB ILE A 52 1.794 -3.974 8.186 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.126 -2.701 6.197 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -0.506 -3.018 7.878 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.908 -2.749 6.373 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.141 -4.507 6.223 1.00 0.00 H new ATOM 0 HG23 ILE A 52 1.970 -3.671 5.175 1.00 0.00 H new ATOM 0 HD11 ILE A 52 0.121 -0.676 7.548 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.308 -1.498 8.589 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.694 -1.177 6.881 1.00 0.00 H new ATOM 826 N MET A 53 2.064 -6.950 7.899 1.00 0.00 N ATOM 827 CA MET A 53 3.010 -8.061 7.880 1.00 0.00 C ATOM 828 C MET A 53 2.414 -9.261 7.150 1.00 0.00 C ATOM 829 O MET A 53 3.107 -9.942 6.395 1.00 0.00 O ATOM 830 CB MET A 53 3.402 -8.458 9.306 1.00 0.00 C ATOM 831 CG MET A 53 4.188 -7.391 10.050 1.00 0.00 C ATOM 832 SD MET A 53 4.510 -7.837 11.768 1.00 0.00 S ATOM 833 CE MET A 53 5.423 -6.400 12.323 1.00 0.00 C ATOM 0 H MET A 53 1.789 -6.648 8.834 1.00 0.00 H new ATOM 0 HA MET A 53 3.904 -7.736 7.348 1.00 0.00 H new ATOM 0 HB2 MET A 53 2.498 -8.688 9.870 1.00 0.00 H new ATOM 0 HB3 MET A 53 3.995 -9.372 9.268 1.00 0.00 H new ATOM 0 HG2 MET A 53 5.136 -7.221 9.539 1.00 0.00 H new ATOM 0 HG3 MET A 53 3.636 -6.451 10.020 1.00 0.00 H new ATOM 0 HE1 MET A 53 5.695 -6.524 13.371 1.00 0.00 H new ATOM 0 HE2 MET A 53 6.327 -6.290 11.724 1.00 0.00 H new ATOM 0 HE3 MET A 53 4.803 -5.510 12.212 1.00 0.00 H new ATOM 843 N LYS A 54 1.121 -9.497 7.364 1.00 0.00 N ATOM 844 CA LYS A 54 0.422 -10.602 6.715 1.00 0.00 C ATOM 845 C LYS A 54 0.462 -10.453 5.197 1.00 0.00 C ATOM 846 O LYS A 54 0.586 -11.438 4.469 1.00 0.00 O ATOM 847 CB LYS A 54 -1.034 -10.679 7.184 1.00 0.00 C ATOM 848 CG LYS A 54 -1.197 -10.941 8.673 1.00 0.00 C ATOM 849 CD LYS A 54 -2.656 -11.176 9.042 1.00 0.00 C ATOM 850 CE LYS A 54 -3.203 -12.428 8.372 1.00 0.00 C ATOM 851 NZ LYS A 54 -4.639 -12.657 8.677 1.00 0.00 N ATOM 0 H LYS A 54 0.536 -8.936 7.983 1.00 0.00 H new ATOM 0 HA LYS A 54 0.932 -11.524 6.995 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.534 -9.743 6.934 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -1.541 -11.469 6.630 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -0.604 -11.810 8.958 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -0.810 -10.093 9.237 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -2.749 -11.270 10.124 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -3.252 -10.313 8.745 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -3.073 -12.345 7.293 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -2.624 -13.292 8.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -4.962 -13.521 8.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -4.763 -12.764 9.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -5.198 -11.846 8.344 1.00 0.00 H new ATOM 865 N VAL A 55 0.348 -9.216 4.730 1.00 0.00 N ATOM 866 CA VAL A 55 0.344 -8.930 3.301 1.00 0.00 C ATOM 867 C VAL A 55 1.736 -9.096 2.700 1.00 0.00 C ATOM 868 O VAL A 55 1.900 -9.717 1.652 1.00 0.00 O ATOM 869 CB VAL A 55 -0.143 -7.492 3.020 1.00 0.00 C ATOM 870 CG1 VAL A 55 -0.275 -7.245 1.526 1.00 0.00 C ATOM 871 CG2 VAL A 55 -1.457 -7.217 3.725 1.00 0.00 C ATOM 0 H VAL A 55 0.257 -8.391 5.323 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.339 -9.643 2.840 1.00 0.00 H new ATOM 0 HB VAL A 55 0.605 -6.803 3.414 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.619 -6.225 1.355 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.694 -7.386 1.047 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -0.994 -7.947 1.103 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.778 -6.198 3.511 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.213 -7.918 3.371 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.325 -7.338 4.800 1.00 0.00 H new ATOM 881 N LEU A 56 2.736 -8.555 3.384 1.00 0.00 N ATOM 882 CA LEU A 56 4.094 -8.497 2.847 1.00 0.00 C ATOM 883 C LEU A 56 4.789 -9.854 2.871 1.00 0.00 C ATOM 884 O LEU A 56 5.549 -10.173 1.958 1.00 0.00 O ATOM 885 CB LEU A 56 4.927 -7.479 3.626 1.00 0.00 C ATOM 886 CG LEU A 56 4.477 -6.024 3.484 1.00 0.00 C ATOM 887 CD1 LEU A 56 5.383 -5.109 4.291 1.00 0.00 C ATOM 888 CD2 LEU A 56 4.461 -5.604 2.022 1.00 0.00 C ATOM 0 H LEU A 56 2.634 -8.149 4.314 1.00 0.00 H new ATOM 0 HA LEU A 56 4.011 -8.189 1.805 1.00 0.00 H new ATOM 0 HB2 LEU A 56 4.905 -7.748 4.682 1.00 0.00 H new ATOM 0 HB3 LEU A 56 5.964 -7.555 3.299 1.00 0.00 H new ATOM 0 HG LEU A 56 3.462 -5.940 3.873 1.00 0.00 H new ATOM 0 HD11 LEU A 56 5.050 -4.077 4.180 1.00 0.00 H new ATOM 0 HD12 LEU A 56 5.342 -5.392 5.343 1.00 0.00 H new ATOM 0 HD13 LEU A 56 6.407 -5.201 3.930 1.00 0.00 H new ATOM 0 HD21 LEU A 56 4.138 -4.566 1.945 1.00 0.00 H new ATOM 0 HD22 LEU A 56 5.463 -5.704 1.604 1.00 0.00 H new ATOM 0 HD23 LEU A 56 3.771 -6.241 1.468 1.00 0.00 H new ATOM 900 N ASP A 57 4.513 -10.644 3.906 1.00 0.00 N ATOM 901 CA ASP A 57 5.207 -11.924 4.132 1.00 0.00 C ATOM 902 C ASP A 57 5.271 -12.805 2.876 1.00 0.00 C ATOM 903 O ASP A 57 6.361 -13.176 2.439 1.00 0.00 O ATOM 904 CB ASP A 57 4.543 -12.703 5.268 1.00 0.00 C ATOM 905 CG ASP A 57 5.411 -13.841 5.768 1.00 0.00 C ATOM 906 OD1 ASP A 57 6.451 -13.568 6.406 1.00 0.00 O ATOM 907 OD2 ASP A 57 5.062 -15.014 5.518 1.00 0.00 O ATOM 0 H ASP A 57 3.809 -10.424 4.610 1.00 0.00 H new ATOM 0 HA ASP A 57 6.232 -11.669 4.403 1.00 0.00 H new ATOM 0 HB2 ASP A 57 4.326 -12.024 6.093 1.00 0.00 H new ATOM 0 HB3 ASP A 57 3.589 -13.101 4.924 1.00 0.00 H new ATOM 912 N PRO A 58 4.119 -13.141 2.263 1.00 0.00 N ATOM 913 CA PRO A 58 4.085 -14.017 1.088 1.00 0.00 C ATOM 914 C PRO A 58 4.756 -13.397 -0.140 1.00 0.00 C ATOM 915 O PRO A 58 5.176 -14.109 -1.056 1.00 0.00 O ATOM 916 CB PRO A 58 2.589 -14.230 0.830 1.00 0.00 C ATOM 917 CG PRO A 58 1.902 -13.099 1.511 1.00 0.00 C ATOM 918 CD PRO A 58 2.772 -12.706 2.669 1.00 0.00 C ATOM 0 HA PRO A 58 4.635 -14.941 1.269 1.00 0.00 H new ATOM 0 HB2 PRO A 58 2.372 -14.235 -0.238 1.00 0.00 H new ATOM 0 HB3 PRO A 58 2.255 -15.188 1.227 1.00 0.00 H new ATOM 0 HG2 PRO A 58 1.764 -12.261 0.828 1.00 0.00 H new ATOM 0 HG3 PRO A 58 0.911 -13.397 1.854 1.00 0.00 H new ATOM 0 HD2 PRO A 58 2.736 -11.632 2.849 1.00 0.00 H new ATOM 0 HD3 PRO A 58 2.455 -13.194 3.591 1.00 0.00 H new ATOM 926 N ILE A 59 4.877 -12.075 -0.151 1.00 0.00 N ATOM 927 CA ILE A 59 5.449 -11.378 -1.293 1.00 0.00 C ATOM 928 C ILE A 59 6.977 -11.465 -1.270 1.00 0.00 C ATOM 929 O ILE A 59 7.625 -11.448 -2.318 1.00 0.00 O ATOM 930 CB ILE A 59 5.009 -9.897 -1.332 1.00 0.00 C ATOM 931 CG1 ILE A 59 3.488 -9.789 -1.211 1.00 0.00 C ATOM 932 CG2 ILE A 59 5.476 -9.239 -2.623 1.00 0.00 C ATOM 933 CD1 ILE A 59 2.979 -8.362 -1.176 1.00 0.00 C ATOM 0 H ILE A 59 4.588 -11.467 0.615 1.00 0.00 H new ATOM 0 HA ILE A 59 5.077 -11.868 -2.192 1.00 0.00 H new ATOM 0 HB ILE A 59 5.466 -9.380 -0.488 1.00 0.00 H new ATOM 0 HG12 ILE A 59 3.028 -10.309 -2.051 1.00 0.00 H new ATOM 0 HG13 ILE A 59 3.167 -10.302 -0.304 1.00 0.00 H new ATOM 0 HG21 ILE A 59 5.158 -8.196 -2.636 1.00 0.00 H new ATOM 0 HG22 ILE A 59 6.563 -9.288 -2.684 1.00 0.00 H new ATOM 0 HG23 ILE A 59 5.041 -9.761 -3.475 1.00 0.00 H new ATOM 0 HD11 ILE A 59 1.892 -8.365 -1.089 1.00 0.00 H new ATOM 0 HD12 ILE A 59 3.410 -7.843 -0.320 1.00 0.00 H new ATOM 0 HD13 ILE A 59 3.268 -7.850 -2.094 1.00 0.00 H new ATOM 945 N TRP A 60 7.545 -11.586 -0.067 1.00 0.00 N ATOM 946 CA TRP A 60 8.998 -11.691 0.095 1.00 0.00 C ATOM 947 C TRP A 60 9.548 -12.911 -0.642 1.00 0.00 C ATOM 948 O TRP A 60 10.687 -12.907 -1.110 1.00 0.00 O ATOM 949 CB TRP A 60 9.392 -11.790 1.575 1.00 0.00 C ATOM 950 CG TRP A 60 9.134 -10.549 2.372 1.00 0.00 C ATOM 951 CD1 TRP A 60 8.238 -10.405 3.389 1.00 0.00 C ATOM 952 CD2 TRP A 60 9.787 -9.283 2.229 1.00 0.00 C ATOM 953 NE1 TRP A 60 8.290 -9.127 3.886 1.00 0.00 N ATOM 954 CE2 TRP A 60 9.231 -8.419 3.191 1.00 0.00 C ATOM 955 CE3 TRP A 60 10.787 -8.795 1.385 1.00 0.00 C ATOM 956 CZ2 TRP A 60 9.638 -7.097 3.329 1.00 0.00 C ATOM 957 CZ3 TRP A 60 11.190 -7.481 1.523 1.00 0.00 C ATOM 958 CH2 TRP A 60 10.618 -6.646 2.490 1.00 0.00 C ATOM 0 H TRP A 60 7.022 -11.614 0.808 1.00 0.00 H new ATOM 0 HA TRP A 60 9.427 -10.784 -0.331 1.00 0.00 H new ATOM 0 HB2 TRP A 60 8.846 -12.617 2.028 1.00 0.00 H new ATOM 0 HB3 TRP A 60 10.452 -12.034 1.640 1.00 0.00 H new ATOM 0 HD1 TRP A 60 7.583 -11.183 3.751 1.00 0.00 H new ATOM 0 HE1 TRP A 60 7.719 -8.764 4.650 1.00 0.00 H new ATOM 0 HE3 TRP A 60 11.237 -9.433 0.639 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 9.196 -6.450 4.072 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 11.960 -7.091 0.874 1.00 0.00 H new ATOM 0 HH2 TRP A 60 10.958 -5.624 2.575 1.00 0.00 H new ATOM 969 N GLU A 61 8.731 -13.951 -0.743 1.00 0.00 N ATOM 970 CA GLU A 61 9.135 -15.195 -1.367 1.00 0.00 C ATOM 971 C GLU A 61 9.226 -15.069 -2.882 1.00 0.00 C ATOM 972 O GLU A 61 9.886 -15.873 -3.543 1.00 0.00 O ATOM 973 CB GLU A 61 8.138 -16.283 -0.997 1.00 0.00 C ATOM 974 CG GLU A 61 8.416 -16.918 0.351 1.00 0.00 C ATOM 975 CD GLU A 61 9.760 -17.616 0.387 1.00 0.00 C ATOM 976 OE1 GLU A 61 9.845 -18.779 -0.050 1.00 0.00 O ATOM 977 OE2 GLU A 61 10.740 -16.998 0.846 1.00 0.00 O ATOM 0 H GLU A 61 7.772 -13.952 -0.394 1.00 0.00 H new ATOM 0 HA GLU A 61 10.129 -15.452 -1.002 1.00 0.00 H new ATOM 0 HB2 GLU A 61 7.134 -15.859 -0.991 1.00 0.00 H new ATOM 0 HB3 GLU A 61 8.153 -17.056 -1.765 1.00 0.00 H new ATOM 0 HG2 GLU A 61 8.385 -16.151 1.125 1.00 0.00 H new ATOM 0 HG3 GLU A 61 7.629 -17.636 0.582 1.00 0.00 H new ATOM 984 N GLN A 62 8.563 -14.065 -3.424 1.00 0.00 N ATOM 985 CA GLN A 62 8.523 -13.872 -4.859 1.00 0.00 C ATOM 986 C GLN A 62 9.314 -12.644 -5.278 1.00 0.00 C ATOM 987 O GLN A 62 10.228 -12.735 -6.094 1.00 0.00 O ATOM 988 CB GLN A 62 7.077 -13.751 -5.331 1.00 0.00 C ATOM 989 CG GLN A 62 6.371 -15.089 -5.446 1.00 0.00 C ATOM 990 CD GLN A 62 6.977 -15.964 -6.525 1.00 0.00 C ATOM 991 OE1 GLN A 62 7.483 -15.468 -7.534 1.00 0.00 O ATOM 992 NE2 GLN A 62 6.947 -17.268 -6.318 1.00 0.00 N ATOM 0 H GLN A 62 8.044 -13.369 -2.889 1.00 0.00 H new ATOM 0 HA GLN A 62 8.984 -14.742 -5.327 1.00 0.00 H new ATOM 0 HB2 GLN A 62 6.527 -13.116 -4.636 1.00 0.00 H new ATOM 0 HB3 GLN A 62 7.059 -13.253 -6.301 1.00 0.00 H new ATOM 0 HG2 GLN A 62 6.421 -15.608 -4.489 1.00 0.00 H new ATOM 0 HG3 GLN A 62 5.316 -14.924 -5.664 1.00 0.00 H new ATOM 0 HE21 GLN A 62 6.519 -17.640 -5.470 1.00 0.00 H new ATOM 0 HE22 GLN A 62 7.352 -17.903 -7.006 1.00 0.00 H new ATOM 1001 N LYS A 63 8.968 -11.496 -4.715 1.00 0.00 N ATOM 1002 CA LYS A 63 9.577 -10.239 -5.126 1.00 0.00 C ATOM 1003 C LYS A 63 9.878 -9.359 -3.915 1.00 0.00 C ATOM 1004 O LYS A 63 9.068 -8.511 -3.541 1.00 0.00 O ATOM 1005 CB LYS A 63 8.655 -9.489 -6.092 1.00 0.00 C ATOM 1006 CG LYS A 63 8.065 -10.361 -7.191 1.00 0.00 C ATOM 1007 CD LYS A 63 7.268 -9.542 -8.190 1.00 0.00 C ATOM 1008 CE LYS A 63 6.431 -10.430 -9.100 1.00 0.00 C ATOM 1009 NZ LYS A 63 7.237 -11.497 -9.755 1.00 0.00 N ATOM 0 H LYS A 63 8.271 -11.408 -3.975 1.00 0.00 H new ATOM 0 HA LYS A 63 10.514 -10.470 -5.632 1.00 0.00 H new ATOM 0 HB2 LYS A 63 7.841 -9.038 -5.524 1.00 0.00 H new ATOM 0 HB3 LYS A 63 9.214 -8.673 -6.551 1.00 0.00 H new ATOM 0 HG2 LYS A 63 8.867 -10.886 -7.709 1.00 0.00 H new ATOM 0 HG3 LYS A 63 7.421 -11.120 -6.747 1.00 0.00 H new ATOM 0 HD2 LYS A 63 6.617 -8.850 -7.657 1.00 0.00 H new ATOM 0 HD3 LYS A 63 7.948 -8.940 -8.793 1.00 0.00 H new ATOM 0 HE2 LYS A 63 5.631 -10.889 -8.519 1.00 0.00 H new ATOM 0 HE3 LYS A 63 5.957 -9.816 -9.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 6.677 -11.941 -10.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 8.098 -11.081 -10.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 7.500 -12.215 -9.050 1.00 0.00 H new ATOM 1023 N PRO A 64 11.042 -9.560 -3.277 1.00 0.00 N ATOM 1024 CA PRO A 64 11.435 -8.801 -2.082 1.00 0.00 C ATOM 1025 C PRO A 64 11.512 -7.298 -2.342 1.00 0.00 C ATOM 1026 O PRO A 64 10.997 -6.492 -1.561 1.00 0.00 O ATOM 1027 CB PRO A 64 12.818 -9.363 -1.727 1.00 0.00 C ATOM 1028 CG PRO A 64 13.295 -10.046 -2.963 1.00 0.00 C ATOM 1029 CD PRO A 64 12.062 -10.551 -3.655 1.00 0.00 C ATOM 0 HA PRO A 64 10.705 -8.909 -1.280 1.00 0.00 H new ATOM 0 HB2 PRO A 64 13.501 -8.568 -1.429 1.00 0.00 H new ATOM 0 HB3 PRO A 64 12.756 -10.060 -0.891 1.00 0.00 H new ATOM 0 HG2 PRO A 64 13.847 -9.357 -3.602 1.00 0.00 H new ATOM 0 HG3 PRO A 64 13.971 -10.866 -2.720 1.00 0.00 H new ATOM 0 HD2 PRO A 64 12.197 -10.600 -4.736 1.00 0.00 H new ATOM 0 HD3 PRO A 64 11.794 -11.554 -3.322 1.00 0.00 H new ATOM 1037 N GLU A 65 12.144 -6.925 -3.448 1.00 0.00 N ATOM 1038 CA GLU A 65 12.259 -5.539 -3.833 1.00 0.00 C ATOM 1039 C GLU A 65 10.883 -4.931 -4.074 1.00 0.00 C ATOM 1040 O GLU A 65 10.591 -3.822 -3.629 1.00 0.00 O ATOM 1041 CB GLU A 65 13.107 -5.436 -5.093 1.00 0.00 C ATOM 1042 CG GLU A 65 14.589 -5.667 -4.856 1.00 0.00 C ATOM 1043 CD GLU A 65 15.182 -4.666 -3.886 1.00 0.00 C ATOM 1044 OE1 GLU A 65 15.264 -3.471 -4.234 1.00 0.00 O ATOM 1045 OE2 GLU A 65 15.573 -5.070 -2.774 1.00 0.00 O ATOM 0 H GLU A 65 12.587 -7.577 -4.095 1.00 0.00 H new ATOM 0 HA GLU A 65 12.737 -4.985 -3.025 1.00 0.00 H new ATOM 0 HB2 GLU A 65 12.748 -6.163 -5.822 1.00 0.00 H new ATOM 0 HB3 GLU A 65 12.969 -4.448 -5.533 1.00 0.00 H new ATOM 0 HG2 GLU A 65 14.740 -6.675 -4.470 1.00 0.00 H new ATOM 0 HG3 GLU A 65 15.120 -5.606 -5.806 1.00 0.00 H new ATOM 1052 N THR A 66 10.028 -5.684 -4.747 1.00 0.00 N ATOM 1053 CA THR A 66 8.710 -5.198 -5.112 1.00 0.00 C ATOM 1054 C THR A 66 7.814 -5.088 -3.885 1.00 0.00 C ATOM 1055 O THR A 66 6.982 -4.192 -3.801 1.00 0.00 O ATOM 1056 CB THR A 66 8.060 -6.121 -6.157 1.00 0.00 C ATOM 1057 OG1 THR A 66 9.032 -6.466 -7.153 1.00 0.00 O ATOM 1058 CG2 THR A 66 6.868 -5.445 -6.820 1.00 0.00 C ATOM 0 H THR A 66 10.225 -6.637 -5.052 1.00 0.00 H new ATOM 0 HA THR A 66 8.828 -4.205 -5.547 1.00 0.00 H new ATOM 0 HB THR A 66 7.705 -7.020 -5.653 1.00 0.00 H new ATOM 0 HG1 THR A 66 8.588 -6.920 -7.900 1.00 0.00 H new ATOM 0 HG21 THR A 66 6.428 -6.121 -7.554 1.00 0.00 H new ATOM 0 HG22 THR A 66 6.123 -5.197 -6.064 1.00 0.00 H new ATOM 0 HG23 THR A 66 7.197 -4.533 -7.318 1.00 0.00 H new ATOM 1066 N ALA A 67 8.003 -5.993 -2.931 1.00 0.00 N ATOM 1067 CA ALA A 67 7.265 -5.946 -1.676 1.00 0.00 C ATOM 1068 C ALA A 67 7.555 -4.642 -0.942 1.00 0.00 C ATOM 1069 O ALA A 67 6.648 -3.984 -0.431 1.00 0.00 O ATOM 1070 CB ALA A 67 7.629 -7.133 -0.799 1.00 0.00 C ATOM 0 H ALA A 67 8.662 -6.768 -3.004 1.00 0.00 H new ATOM 0 HA ALA A 67 6.199 -5.994 -1.900 1.00 0.00 H new ATOM 0 HB1 ALA A 67 7.068 -7.081 0.134 1.00 0.00 H new ATOM 0 HB2 ALA A 67 7.383 -8.059 -1.319 1.00 0.00 H new ATOM 0 HB3 ALA A 67 8.697 -7.111 -0.582 1.00 0.00 H new ATOM 1076 N SER A 68 8.826 -4.264 -0.925 1.00 0.00 N ATOM 1077 CA SER A 68 9.255 -3.039 -0.272 1.00 0.00 C ATOM 1078 C SER A 68 8.730 -1.811 -1.021 1.00 0.00 C ATOM 1079 O SER A 68 8.346 -0.812 -0.410 1.00 0.00 O ATOM 1080 CB SER A 68 10.785 -3.004 -0.194 1.00 0.00 C ATOM 1081 OG SER A 68 11.290 -4.176 0.432 1.00 0.00 O ATOM 0 H SER A 68 9.581 -4.794 -1.360 1.00 0.00 H new ATOM 0 HA SER A 68 8.845 -3.018 0.738 1.00 0.00 H new ATOM 0 HB2 SER A 68 11.202 -2.915 -1.197 1.00 0.00 H new ATOM 0 HB3 SER A 68 11.104 -2.123 0.363 1.00 0.00 H new ATOM 0 HG SER A 68 11.208 -4.936 -0.182 1.00 0.00 H new ATOM 1087 N ARG A 69 8.711 -1.894 -2.345 1.00 0.00 N ATOM 1088 CA ARG A 69 8.243 -0.800 -3.177 1.00 0.00 C ATOM 1089 C ARG A 69 6.719 -0.672 -3.133 1.00 0.00 C ATOM 1090 O ARG A 69 6.186 0.438 -3.099 1.00 0.00 O ATOM 1091 CB ARG A 69 8.732 -0.997 -4.607 1.00 0.00 C ATOM 1092 CG ARG A 69 10.246 -0.981 -4.727 1.00 0.00 C ATOM 1093 CD ARG A 69 10.694 -0.815 -6.166 1.00 0.00 C ATOM 1094 NE ARG A 69 10.396 0.523 -6.669 1.00 0.00 N ATOM 1095 CZ ARG A 69 10.633 0.925 -7.917 1.00 0.00 C ATOM 1096 NH1 ARG A 69 11.174 0.092 -8.799 1.00 0.00 N ATOM 1097 NH2 ARG A 69 10.351 2.173 -8.272 1.00 0.00 N ATOM 0 H ARG A 69 9.017 -2.715 -2.866 1.00 0.00 H new ATOM 0 HA ARG A 69 8.654 0.130 -2.785 1.00 0.00 H new ATOM 0 HB2 ARG A 69 8.354 -1.946 -4.986 1.00 0.00 H new ATOM 0 HB3 ARG A 69 8.315 -0.212 -5.238 1.00 0.00 H new ATOM 0 HG2 ARG A 69 10.650 -0.168 -4.124 1.00 0.00 H new ATOM 0 HG3 ARG A 69 10.653 -1.909 -4.324 1.00 0.00 H new ATOM 0 HD2 ARG A 69 11.765 -1.002 -6.238 1.00 0.00 H new ATOM 0 HD3 ARG A 69 10.198 -1.558 -6.790 1.00 0.00 H new ATOM 0 HE ARG A 69 9.979 1.193 -6.023 1.00 0.00 H new ATOM 0 HH11 ARG A 69 11.410 -0.861 -8.522 1.00 0.00 H new ATOM 0 HH12 ARG A 69 11.353 0.405 -9.753 1.00 0.00 H new ATOM 0 HH21 ARG A 69 9.954 2.820 -7.590 1.00 0.00 H new ATOM 0 HH22 ARG A 69 10.531 2.485 -9.226 1.00 0.00 H new ATOM 1111 N LEU A 70 6.023 -1.804 -3.134 1.00 0.00 N ATOM 1112 CA LEU A 70 4.567 -1.815 -3.015 1.00 0.00 C ATOM 1113 C LEU A 70 4.155 -1.261 -1.657 1.00 0.00 C ATOM 1114 O LEU A 70 3.127 -0.598 -1.520 1.00 0.00 O ATOM 1115 CB LEU A 70 4.024 -3.238 -3.195 1.00 0.00 C ATOM 1116 CG LEU A 70 2.504 -3.382 -3.069 1.00 0.00 C ATOM 1117 CD1 LEU A 70 1.794 -2.584 -4.152 1.00 0.00 C ATOM 1118 CD2 LEU A 70 2.102 -4.847 -3.137 1.00 0.00 C ATOM 0 H LEU A 70 6.444 -2.729 -3.216 1.00 0.00 H new ATOM 0 HA LEU A 70 4.146 -1.185 -3.799 1.00 0.00 H new ATOM 0 HB2 LEU A 70 4.326 -3.603 -4.177 1.00 0.00 H new ATOM 0 HB3 LEU A 70 4.496 -3.885 -2.455 1.00 0.00 H new ATOM 0 HG LEU A 70 2.203 -2.984 -2.100 1.00 0.00 H new ATOM 0 HD11 LEU A 70 0.716 -2.701 -4.043 1.00 0.00 H new ATOM 0 HD12 LEU A 70 2.056 -1.530 -4.058 1.00 0.00 H new ATOM 0 HD13 LEU A 70 2.101 -2.948 -5.132 1.00 0.00 H new ATOM 0 HD21 LEU A 70 1.019 -4.932 -3.046 1.00 0.00 H new ATOM 0 HD22 LEU A 70 2.420 -5.268 -4.091 1.00 0.00 H new ATOM 0 HD23 LEU A 70 2.578 -5.393 -2.323 1.00 0.00 H new ATOM 1130 N ARG A 71 4.985 -1.541 -0.661 1.00 0.00 N ATOM 1131 CA ARG A 71 4.808 -1.013 0.683 1.00 0.00 C ATOM 1132 C ARG A 71 4.717 0.516 0.637 1.00 0.00 C ATOM 1133 O ARG A 71 3.914 1.126 1.348 1.00 0.00 O ATOM 1134 CB ARG A 71 5.993 -1.465 1.541 1.00 0.00 C ATOM 1135 CG ARG A 71 5.709 -1.577 3.027 1.00 0.00 C ATOM 1136 CD ARG A 71 5.454 -0.230 3.671 1.00 0.00 C ATOM 1137 NE ARG A 71 5.490 -0.325 5.122 1.00 0.00 N ATOM 1138 CZ ARG A 71 4.416 -0.449 5.890 1.00 0.00 C ATOM 1139 NH1 ARG A 71 3.202 -0.464 5.348 1.00 0.00 N ATOM 1140 NH2 ARG A 71 4.557 -0.548 7.205 1.00 0.00 N ATOM 0 H ARG A 71 5.802 -2.143 -0.764 1.00 0.00 H new ATOM 0 HA ARG A 71 3.882 -1.389 1.119 1.00 0.00 H new ATOM 0 HB2 ARG A 71 6.334 -2.435 1.179 1.00 0.00 H new ATOM 0 HB3 ARG A 71 6.814 -0.763 1.396 1.00 0.00 H new ATOM 0 HG2 ARG A 71 4.842 -2.220 3.181 1.00 0.00 H new ATOM 0 HG3 ARG A 71 6.554 -2.058 3.520 1.00 0.00 H new ATOM 0 HD2 ARG A 71 6.203 0.486 3.332 1.00 0.00 H new ATOM 0 HD3 ARG A 71 4.483 0.150 3.353 1.00 0.00 H new ATOM 0 HE ARG A 71 6.401 -0.294 5.579 1.00 0.00 H new ATOM 0 HH11 ARG A 71 3.094 -0.380 4.337 1.00 0.00 H new ATOM 0 HH12 ARG A 71 2.379 -0.560 5.943 1.00 0.00 H new ATOM 0 HH21 ARG A 71 5.488 -0.529 7.621 1.00 0.00 H new ATOM 0 HH22 ARG A 71 3.734 -0.644 7.800 1.00 0.00 H new ATOM 1154 N GLY A 72 5.529 1.120 -0.226 1.00 0.00 N ATOM 1155 CA GLY A 72 5.518 2.563 -0.390 1.00 0.00 C ATOM 1156 C GLY A 72 4.202 3.077 -0.947 1.00 0.00 C ATOM 1157 O GLY A 72 3.792 4.202 -0.654 1.00 0.00 O ATOM 0 H GLY A 72 6.199 0.631 -0.819 1.00 0.00 H new ATOM 0 HA2 GLY A 72 5.710 3.036 0.573 1.00 0.00 H new ATOM 0 HA3 GLY A 72 6.329 2.856 -1.056 1.00 0.00 H new ATOM 1161 N ARG A 73 3.535 2.259 -1.757 1.00 0.00 N ATOM 1162 CA ARG A 73 2.244 2.635 -2.318 1.00 0.00 C ATOM 1163 C ARG A 73 1.201 2.706 -1.211 1.00 0.00 C ATOM 1164 O ARG A 73 0.304 3.550 -1.240 1.00 0.00 O ATOM 1165 CB ARG A 73 1.795 1.646 -3.403 1.00 0.00 C ATOM 1166 CG ARG A 73 2.788 1.486 -4.549 1.00 0.00 C ATOM 1167 CD ARG A 73 2.177 0.728 -5.721 1.00 0.00 C ATOM 1168 NE ARG A 73 3.169 0.385 -6.742 1.00 0.00 N ATOM 1169 CZ ARG A 73 2.892 -0.321 -7.842 1.00 0.00 C ATOM 1170 NH1 ARG A 73 1.649 -0.721 -8.084 1.00 0.00 N ATOM 1171 NH2 ARG A 73 3.854 -0.623 -8.702 1.00 0.00 N ATOM 0 H ARG A 73 3.867 1.336 -2.038 1.00 0.00 H new ATOM 0 HA ARG A 73 2.349 3.615 -2.783 1.00 0.00 H new ATOM 0 HB2 ARG A 73 1.626 0.672 -2.944 1.00 0.00 H new ATOM 0 HB3 ARG A 73 0.839 1.977 -3.808 1.00 0.00 H new ATOM 0 HG2 ARG A 73 3.119 2.469 -4.884 1.00 0.00 H new ATOM 0 HG3 ARG A 73 3.672 0.956 -4.194 1.00 0.00 H new ATOM 0 HD2 ARG A 73 1.707 -0.184 -5.354 1.00 0.00 H new ATOM 0 HD3 ARG A 73 1.390 1.333 -6.171 1.00 0.00 H new ATOM 0 HE ARG A 73 4.128 0.704 -6.605 1.00 0.00 H new ATOM 0 HH11 ARG A 73 0.902 -0.489 -7.429 1.00 0.00 H new ATOM 0 HH12 ARG A 73 1.441 -1.260 -8.925 1.00 0.00 H new ATOM 0 HH21 ARG A 73 4.811 -0.316 -8.525 1.00 0.00 H new ATOM 0 HH22 ARG A 73 3.638 -1.162 -9.540 1.00 0.00 H new ATOM 1185 N ILE A 74 1.338 1.825 -0.222 1.00 0.00 N ATOM 1186 CA ILE A 74 0.441 1.809 0.924 1.00 0.00 C ATOM 1187 C ILE A 74 0.595 3.102 1.721 1.00 0.00 C ATOM 1188 O ILE A 74 -0.391 3.709 2.139 1.00 0.00 O ATOM 1189 CB ILE A 74 0.717 0.594 1.837 1.00 0.00 C ATOM 1190 CG1 ILE A 74 0.623 -0.706 1.030 1.00 0.00 C ATOM 1191 CG2 ILE A 74 -0.258 0.573 3.009 1.00 0.00 C ATOM 1192 CD1 ILE A 74 0.969 -1.947 1.825 1.00 0.00 C ATOM 0 H ILE A 74 2.066 1.111 -0.195 1.00 0.00 H new ATOM 0 HA ILE A 74 -0.581 1.728 0.553 1.00 0.00 H new ATOM 0 HB ILE A 74 1.727 0.680 2.238 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -0.389 -0.807 0.639 1.00 0.00 H new ATOM 0 HG13 ILE A 74 1.291 -0.638 0.171 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -0.048 -0.290 3.641 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -0.145 1.487 3.593 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -1.279 0.507 2.632 1.00 0.00 H new ATOM 0 HD11 ILE A 74 0.879 -2.825 1.186 1.00 0.00 H new ATOM 0 HD12 ILE A 74 1.992 -1.869 2.194 1.00 0.00 H new ATOM 0 HD13 ILE A 74 0.285 -2.041 2.669 1.00 0.00 H new ATOM 1204 N GLU A 75 1.844 3.522 1.906 1.00 0.00 N ATOM 1205 CA GLU A 75 2.154 4.797 2.551 1.00 0.00 C ATOM 1206 C GLU A 75 1.477 5.941 1.816 1.00 0.00 C ATOM 1207 O GLU A 75 0.865 6.819 2.424 1.00 0.00 O ATOM 1208 CB GLU A 75 3.671 5.014 2.558 1.00 0.00 C ATOM 1209 CG GLU A 75 4.117 6.430 2.916 1.00 0.00 C ATOM 1210 CD GLU A 75 3.596 6.924 4.254 1.00 0.00 C ATOM 1211 OE1 GLU A 75 3.229 6.091 5.109 1.00 0.00 O ATOM 1212 OE2 GLU A 75 3.580 8.159 4.471 1.00 0.00 O ATOM 0 H GLU A 75 2.666 2.992 1.615 1.00 0.00 H new ATOM 0 HA GLU A 75 1.784 4.772 3.576 1.00 0.00 H new ATOM 0 HB2 GLU A 75 4.120 4.318 3.266 1.00 0.00 H new ATOM 0 HB3 GLU A 75 4.064 4.763 1.573 1.00 0.00 H new ATOM 0 HG2 GLU A 75 5.206 6.464 2.927 1.00 0.00 H new ATOM 0 HG3 GLU A 75 3.785 7.113 2.134 1.00 0.00 H new ATOM 1219 N SER A 76 1.570 5.894 0.500 1.00 0.00 N ATOM 1220 CA SER A 76 0.999 6.929 -0.351 1.00 0.00 C ATOM 1221 C SER A 76 -0.510 7.051 -0.124 1.00 0.00 C ATOM 1222 O SER A 76 -1.045 8.159 -0.043 1.00 0.00 O ATOM 1223 CB SER A 76 1.293 6.611 -1.815 1.00 0.00 C ATOM 1224 OG SER A 76 2.686 6.434 -2.028 1.00 0.00 O ATOM 0 H SER A 76 2.039 5.145 -0.009 1.00 0.00 H new ATOM 0 HA SER A 76 1.456 7.885 -0.093 1.00 0.00 H new ATOM 0 HB2 SER A 76 0.759 5.707 -2.109 1.00 0.00 H new ATOM 0 HB3 SER A 76 0.925 7.419 -2.447 1.00 0.00 H new ATOM 0 HG SER A 76 2.972 5.584 -1.632 1.00 0.00 H new ATOM 1230 N VAL A 77 -1.181 5.913 -0.008 1.00 0.00 N ATOM 1231 CA VAL A 77 -2.617 5.889 0.244 1.00 0.00 C ATOM 1232 C VAL A 77 -2.941 6.313 1.680 1.00 0.00 C ATOM 1233 O VAL A 77 -3.797 7.169 1.903 1.00 0.00 O ATOM 1234 CB VAL A 77 -3.208 4.488 -0.024 1.00 0.00 C ATOM 1235 CG1 VAL A 77 -4.703 4.465 0.260 1.00 0.00 C ATOM 1236 CG2 VAL A 77 -2.928 4.055 -1.458 1.00 0.00 C ATOM 0 H VAL A 77 -0.753 4.991 -0.085 1.00 0.00 H new ATOM 0 HA VAL A 77 -3.071 6.603 -0.443 1.00 0.00 H new ATOM 0 HB VAL A 77 -2.725 3.781 0.651 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.095 3.467 0.064 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -4.879 4.725 1.304 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.207 5.186 -0.384 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -3.352 3.065 -1.629 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -3.380 4.767 -2.148 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -1.851 4.022 -1.624 1.00 0.00 H new ATOM 1246 N LEU A 78 -2.238 5.724 2.644 1.00 0.00 N ATOM 1247 CA LEU A 78 -2.512 5.960 4.062 1.00 0.00 C ATOM 1248 C LEU A 78 -2.265 7.412 4.459 1.00 0.00 C ATOM 1249 O LEU A 78 -3.080 8.010 5.164 1.00 0.00 O ATOM 1250 CB LEU A 78 -1.663 5.034 4.933 1.00 0.00 C ATOM 1251 CG LEU A 78 -2.059 3.557 4.906 1.00 0.00 C ATOM 1252 CD1 LEU A 78 -1.141 2.746 5.808 1.00 0.00 C ATOM 1253 CD2 LEU A 78 -3.513 3.381 5.327 1.00 0.00 C ATOM 0 H LEU A 78 -1.470 5.076 2.469 1.00 0.00 H new ATOM 0 HA LEU A 78 -3.568 5.744 4.224 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.623 5.119 4.617 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -1.713 5.387 5.963 1.00 0.00 H new ATOM 0 HG LEU A 78 -1.953 3.192 3.884 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -1.436 1.697 5.778 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -0.112 2.844 5.462 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -1.217 3.115 6.831 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -3.774 2.323 5.301 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.648 3.763 6.339 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -4.159 3.931 4.643 1.00 0.00 H new ATOM 1265 N ASP A 79 -1.151 7.976 4.006 1.00 0.00 N ATOM 1266 CA ASP A 79 -0.826 9.373 4.298 1.00 0.00 C ATOM 1267 C ASP A 79 -1.900 10.294 3.728 1.00 0.00 C ATOM 1268 O ASP A 79 -2.279 11.291 4.344 1.00 0.00 O ATOM 1269 CB ASP A 79 0.541 9.730 3.714 1.00 0.00 C ATOM 1270 CG ASP A 79 1.008 11.116 4.111 1.00 0.00 C ATOM 1271 OD1 ASP A 79 1.571 11.265 5.215 1.00 0.00 O ATOM 1272 OD2 ASP A 79 0.842 12.060 3.310 1.00 0.00 O ATOM 0 H ASP A 79 -0.457 7.491 3.436 1.00 0.00 H new ATOM 0 HA ASP A 79 -0.790 9.506 5.379 1.00 0.00 H new ATOM 0 HB2 ASP A 79 1.275 8.996 4.046 1.00 0.00 H new ATOM 0 HB3 ASP A 79 0.494 9.665 2.627 1.00 0.00 H new ATOM 1277 N TRP A 80 -2.400 9.934 2.556 1.00 0.00 N ATOM 1278 CA TRP A 80 -3.492 10.657 1.922 1.00 0.00 C ATOM 1279 C TRP A 80 -4.760 10.522 2.762 1.00 0.00 C ATOM 1280 O TRP A 80 -5.514 11.481 2.930 1.00 0.00 O ATOM 1281 CB TRP A 80 -3.710 10.107 0.509 1.00 0.00 C ATOM 1282 CG TRP A 80 -4.821 10.763 -0.256 1.00 0.00 C ATOM 1283 CD1 TRP A 80 -4.788 11.985 -0.863 1.00 0.00 C ATOM 1284 CD2 TRP A 80 -6.119 10.219 -0.514 1.00 0.00 C ATOM 1285 NE1 TRP A 80 -5.990 12.233 -1.482 1.00 0.00 N ATOM 1286 CE2 TRP A 80 -6.825 11.166 -1.276 1.00 0.00 C ATOM 1287 CE3 TRP A 80 -6.752 9.023 -0.167 1.00 0.00 C ATOM 1288 CZ2 TRP A 80 -8.134 10.951 -1.703 1.00 0.00 C ATOM 1289 CZ3 TRP A 80 -8.051 8.813 -0.590 1.00 0.00 C ATOM 1290 CH2 TRP A 80 -8.729 9.773 -1.347 1.00 0.00 C ATOM 0 H TRP A 80 -2.062 9.135 2.019 1.00 0.00 H new ATOM 0 HA TRP A 80 -3.243 11.716 1.851 1.00 0.00 H new ATOM 0 HB2 TRP A 80 -2.784 10.217 -0.056 1.00 0.00 H new ATOM 0 HB3 TRP A 80 -3.916 9.039 0.578 1.00 0.00 H new ATOM 0 HD1 TRP A 80 -3.943 12.657 -0.858 1.00 0.00 H new ATOM 0 HE1 TRP A 80 -6.223 13.075 -2.009 1.00 0.00 H new ATOM 0 HE3 TRP A 80 -6.237 8.277 0.420 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -8.659 11.688 -2.293 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 -8.551 7.891 -0.331 1.00 0.00 H new ATOM 0 HH2 TRP A 80 -9.745 9.580 -1.657 1.00 0.00 H new ATOM 1301 N ALA A 81 -4.970 9.326 3.303 1.00 0.00 N ATOM 1302 CA ALA A 81 -6.114 9.053 4.162 1.00 0.00 C ATOM 1303 C ALA A 81 -6.047 9.877 5.444 1.00 0.00 C ATOM 1304 O ALA A 81 -7.076 10.291 5.978 1.00 0.00 O ATOM 1305 CB ALA A 81 -6.191 7.569 4.481 1.00 0.00 C ATOM 0 H ALA A 81 -4.356 8.525 3.159 1.00 0.00 H new ATOM 0 HA ALA A 81 -7.019 9.342 3.627 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -7.051 7.379 5.124 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -6.298 7.003 3.556 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -5.280 7.259 4.993 1.00 0.00 H new ATOM 1311 N THR A 82 -4.834 10.111 5.936 1.00 0.00 N ATOM 1312 CA THR A 82 -4.623 10.969 7.094 1.00 0.00 C ATOM 1313 C THR A 82 -5.132 12.382 6.810 1.00 0.00 C ATOM 1314 O THR A 82 -5.826 12.982 7.632 1.00 0.00 O ATOM 1315 CB THR A 82 -3.130 11.021 7.473 1.00 0.00 C ATOM 1316 OG1 THR A 82 -2.642 9.698 7.725 1.00 0.00 O ATOM 1317 CG2 THR A 82 -2.904 11.888 8.703 1.00 0.00 C ATOM 0 H THR A 82 -3.978 9.715 5.547 1.00 0.00 H new ATOM 0 HA THR A 82 -5.182 10.549 7.930 1.00 0.00 H new ATOM 0 HB THR A 82 -2.587 11.460 6.636 1.00 0.00 H new ATOM 0 HG1 THR A 82 -2.683 9.171 6.900 1.00 0.00 H new ATOM 0 HG21 THR A 82 -1.842 11.905 8.946 1.00 0.00 H new ATOM 0 HG22 THR A 82 -3.247 12.903 8.501 1.00 0.00 H new ATOM 0 HG23 THR A 82 -3.462 11.478 9.545 1.00 0.00 H new ATOM 1325 N VAL A 83 -4.805 12.896 5.629 1.00 0.00 N ATOM 1326 CA VAL A 83 -5.262 14.216 5.211 1.00 0.00 C ATOM 1327 C VAL A 83 -6.780 14.225 5.027 1.00 0.00 C ATOM 1328 O VAL A 83 -7.457 15.190 5.381 1.00 0.00 O ATOM 1329 CB VAL A 83 -4.583 14.643 3.892 1.00 0.00 C ATOM 1330 CG1 VAL A 83 -5.024 16.042 3.483 1.00 0.00 C ATOM 1331 CG2 VAL A 83 -3.068 14.577 4.019 1.00 0.00 C ATOM 0 H VAL A 83 -4.223 12.416 4.942 1.00 0.00 H new ATOM 0 HA VAL A 83 -4.990 14.924 5.993 1.00 0.00 H new ATOM 0 HB VAL A 83 -4.893 13.946 3.113 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -4.532 16.321 2.551 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -6.105 16.056 3.341 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -4.751 16.752 4.264 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -2.610 14.882 3.078 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -2.740 15.245 4.815 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -2.767 13.556 4.255 1.00 0.00 H new ATOM 1341 N ARG A 84 -7.303 13.130 4.491 1.00 0.00 N ATOM 1342 CA ARG A 84 -8.739 12.979 4.270 1.00 0.00 C ATOM 1343 C ARG A 84 -9.500 12.913 5.589 1.00 0.00 C ATOM 1344 O ARG A 84 -10.695 13.205 5.644 1.00 0.00 O ATOM 1345 CB ARG A 84 -9.008 11.718 3.453 1.00 0.00 C ATOM 1346 CG ARG A 84 -8.555 11.817 2.009 1.00 0.00 C ATOM 1347 CD ARG A 84 -9.525 12.631 1.173 1.00 0.00 C ATOM 1348 NE ARG A 84 -10.782 11.918 0.946 1.00 0.00 N ATOM 1349 CZ ARG A 84 -11.901 12.499 0.516 1.00 0.00 C ATOM 1350 NH1 ARG A 84 -11.947 13.815 0.352 1.00 0.00 N ATOM 1351 NH2 ARG A 84 -12.980 11.763 0.274 1.00 0.00 N ATOM 0 H ARG A 84 -6.750 12.325 4.198 1.00 0.00 H new ATOM 0 HA ARG A 84 -9.090 13.853 3.721 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -8.503 10.875 3.926 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -10.076 11.503 3.475 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -7.566 12.274 1.968 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -8.461 10.816 1.587 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -9.730 13.577 1.674 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -9.065 12.870 0.214 1.00 0.00 H new ATOM 0 HE ARG A 84 -10.803 10.915 1.128 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -11.125 14.383 0.555 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -12.805 14.258 0.023 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -12.951 10.754 0.417 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -13.837 12.207 -0.055 1.00 0.00 H new ATOM 1365 N GLY A 85 -8.807 12.524 6.647 1.00 0.00 N ATOM 1366 CA GLY A 85 -9.429 12.455 7.952 1.00 0.00 C ATOM 1367 C GLY A 85 -9.904 11.059 8.293 1.00 0.00 C ATOM 1368 O GLY A 85 -10.798 10.883 9.122 1.00 0.00 O ATOM 0 H GLY A 85 -7.824 12.254 6.626 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -8.718 12.789 8.708 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -10.275 13.142 7.985 1.00 0.00 H new ATOM 1372 N TYR A 86 -9.314 10.061 7.651 1.00 0.00 N ATOM 1373 CA TYR A 86 -9.657 8.672 7.930 1.00 0.00 C ATOM 1374 C TYR A 86 -8.800 8.150 9.076 1.00 0.00 C ATOM 1375 O TYR A 86 -9.154 7.185 9.752 1.00 0.00 O ATOM 1376 CB TYR A 86 -9.473 7.805 6.683 1.00 0.00 C ATOM 1377 CG TYR A 86 -10.284 8.274 5.495 1.00 0.00 C ATOM 1378 CD1 TYR A 86 -11.592 8.717 5.651 1.00 0.00 C ATOM 1379 CD2 TYR A 86 -9.742 8.275 4.218 1.00 0.00 C ATOM 1380 CE1 TYR A 86 -12.331 9.153 4.568 1.00 0.00 C ATOM 1381 CE2 TYR A 86 -10.477 8.707 3.131 1.00 0.00 C ATOM 1382 CZ TYR A 86 -11.769 9.148 3.312 1.00 0.00 C ATOM 1383 OH TYR A 86 -12.497 9.599 2.235 1.00 0.00 O ATOM 0 H TYR A 86 -8.598 10.185 6.936 1.00 0.00 H new ATOM 0 HA TYR A 86 -10.706 8.622 8.220 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -8.418 7.794 6.411 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -9.752 6.778 6.920 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -12.038 8.721 6.635 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -8.728 7.932 4.071 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -13.346 9.496 4.707 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -10.040 8.699 2.143 1.00 0.00 H new ATOM 0 HH TYR A 86 -13.129 10.286 2.532 1.00 0.00 H new ATOM 1393 N ARG A 87 -7.670 8.813 9.283 1.00 0.00 N ATOM 1394 CA ARG A 87 -6.769 8.505 10.385 1.00 0.00 C ATOM 1395 C ARG A 87 -5.835 9.686 10.615 1.00 0.00 C ATOM 1396 O ARG A 87 -5.874 10.660 9.861 1.00 0.00 O ATOM 1397 CB ARG A 87 -5.942 7.241 10.099 1.00 0.00 C ATOM 1398 CG ARG A 87 -5.054 7.352 8.866 1.00 0.00 C ATOM 1399 CD ARG A 87 -3.942 6.315 8.878 1.00 0.00 C ATOM 1400 NE ARG A 87 -4.452 4.940 8.900 1.00 0.00 N ATOM 1401 CZ ARG A 87 -4.111 4.037 9.822 1.00 0.00 C ATOM 1402 NH1 ARG A 87 -3.353 4.389 10.854 1.00 0.00 N ATOM 1403 NH2 ARG A 87 -4.547 2.786 9.721 1.00 0.00 N ATOM 0 H ARG A 87 -7.352 9.580 8.691 1.00 0.00 H new ATOM 0 HA ARG A 87 -7.368 8.320 11.276 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -5.318 7.023 10.966 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -6.619 6.396 9.973 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -5.660 7.225 7.969 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -4.620 8.351 8.819 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -3.314 6.451 7.998 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -3.308 6.477 9.750 1.00 0.00 H new ATOM 0 HE ARG A 87 -5.105 4.658 8.169 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -3.029 5.352 10.944 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -3.094 3.696 11.557 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -5.143 2.515 8.939 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -4.286 2.096 10.426 1.00 0.00 H new ATOM 1417 N GLU A 88 -5.012 9.602 11.656 1.00 0.00 N ATOM 1418 CA GLU A 88 -3.984 10.604 11.910 1.00 0.00 C ATOM 1419 C GLU A 88 -2.975 10.066 12.919 1.00 0.00 C ATOM 1420 O GLU A 88 -3.092 8.921 13.363 1.00 0.00 O ATOM 1421 CB GLU A 88 -4.592 11.914 12.424 1.00 0.00 C ATOM 1422 CG GLU A 88 -5.253 11.802 13.790 1.00 0.00 C ATOM 1423 CD GLU A 88 -5.628 13.153 14.355 1.00 0.00 C ATOM 1424 OE1 GLU A 88 -4.712 13.928 14.703 1.00 0.00 O ATOM 1425 OE2 GLU A 88 -6.836 13.448 14.461 1.00 0.00 O ATOM 0 H GLU A 88 -5.038 8.846 12.340 1.00 0.00 H new ATOM 0 HA GLU A 88 -3.480 10.817 10.967 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -3.809 12.670 12.473 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -5.330 12.266 11.703 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -6.146 11.183 13.710 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -4.576 11.297 14.479 1.00 0.00 H new ATOM 1432 N GLY A 89 -1.997 10.894 13.273 1.00 0.00 N ATOM 1433 CA GLY A 89 -0.989 10.510 14.245 1.00 0.00 C ATOM 1434 C GLY A 89 -0.103 9.387 13.762 1.00 0.00 C ATOM 1435 O GLY A 89 -0.433 8.210 13.928 1.00 0.00 O ATOM 0 H GLY A 89 -1.884 11.836 12.898 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -0.372 11.377 14.482 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -1.480 10.206 15.169 1.00 0.00 H new ATOM 1439 N ASP A 90 1.033 9.766 13.187 1.00 0.00 N ATOM 1440 CA ASP A 90 2.004 8.817 12.644 1.00 0.00 C ATOM 1441 C ASP A 90 1.331 7.912 11.599 1.00 0.00 C ATOM 1442 O ASP A 90 0.245 8.231 11.104 1.00 0.00 O ATOM 1443 CB ASP A 90 2.618 8.009 13.799 1.00 0.00 C ATOM 1444 CG ASP A 90 3.825 7.185 13.398 1.00 0.00 C ATOM 1445 OD1 ASP A 90 4.855 7.772 13.014 1.00 0.00 O ATOM 1446 OD2 ASP A 90 3.751 5.942 13.481 1.00 0.00 O ATOM 0 H ASP A 90 1.309 10.742 13.083 1.00 0.00 H new ATOM 0 HA ASP A 90 2.808 9.350 12.137 1.00 0.00 H new ATOM 0 HB2 ASP A 90 2.907 8.694 14.596 1.00 0.00 H new ATOM 0 HB3 ASP A 90 1.857 7.345 14.210 1.00 0.00 H new ATOM 1451 N ASN A 91 1.965 6.809 11.237 1.00 0.00 N ATOM 1452 CA ASN A 91 1.369 5.878 10.290 1.00 0.00 C ATOM 1453 C ASN A 91 2.013 4.504 10.450 1.00 0.00 C ATOM 1454 O ASN A 91 3.230 4.408 10.624 1.00 0.00 O ATOM 1455 CB ASN A 91 1.577 6.399 8.857 1.00 0.00 C ATOM 1456 CG ASN A 91 0.607 5.801 7.855 1.00 0.00 C ATOM 1457 OD1 ASN A 91 -0.534 5.486 8.186 1.00 0.00 O ATOM 1458 ND2 ASN A 91 1.043 5.650 6.615 1.00 0.00 N ATOM 0 H ASN A 91 2.886 6.536 11.581 1.00 0.00 H new ATOM 0 HA ASN A 91 0.300 5.792 10.484 1.00 0.00 H new ATOM 0 HB2 ASN A 91 1.470 7.484 8.853 1.00 0.00 H new ATOM 0 HB3 ASN A 91 2.597 6.178 8.542 1.00 0.00 H new ATOM 0 HD21 ASN A 91 0.426 5.262 5.901 1.00 0.00 H new ATOM 0 HD22 ASN A 91 1.996 5.921 6.373 1.00 0.00 H new ATOM 1465 N PRO A 92 1.221 3.416 10.362 1.00 0.00 N ATOM 1466 CA PRO A 92 1.738 2.044 10.467 1.00 0.00 C ATOM 1467 C PRO A 92 2.595 1.637 9.269 1.00 0.00 C ATOM 1468 O PRO A 92 2.997 0.481 9.150 1.00 0.00 O ATOM 1469 CB PRO A 92 0.473 1.184 10.533 1.00 0.00 C ATOM 1470 CG PRO A 92 -0.583 2.008 9.891 1.00 0.00 C ATOM 1471 CD PRO A 92 -0.244 3.437 10.209 1.00 0.00 C ATOM 0 HA PRO A 92 2.394 1.932 11.330 1.00 0.00 H new ATOM 0 HB2 PRO A 92 0.610 0.239 10.008 1.00 0.00 H new ATOM 0 HB3 PRO A 92 0.213 0.942 11.563 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -0.606 1.843 8.814 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -1.569 1.746 10.275 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -0.555 4.111 9.410 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -0.738 3.774 11.120 1.00 0.00 H new ATOM 1479 N ALA A 93 2.853 2.585 8.374 1.00 0.00 N ATOM 1480 CA ALA A 93 3.735 2.344 7.243 1.00 0.00 C ATOM 1481 C ALA A 93 5.177 2.684 7.606 1.00 0.00 C ATOM 1482 O ALA A 93 6.084 2.544 6.790 1.00 0.00 O ATOM 1483 CB ALA A 93 3.280 3.128 6.021 1.00 0.00 C ATOM 0 H ALA A 93 2.463 3.527 8.412 1.00 0.00 H new ATOM 0 HA ALA A 93 3.688 1.284 6.994 1.00 0.00 H new ATOM 0 HB1 ALA A 93 3.956 2.930 5.189 1.00 0.00 H new ATOM 0 HB2 ALA A 93 2.270 2.822 5.748 1.00 0.00 H new ATOM 0 HB3 ALA A 93 3.287 4.194 6.249 1.00 0.00 H new ATOM 1489 N ARG A 94 5.376 3.132 8.841 1.00 0.00 N ATOM 1490 CA ARG A 94 6.717 3.367 9.359 1.00 0.00 C ATOM 1491 C ARG A 94 7.312 2.070 9.881 1.00 0.00 C ATOM 1492 O ARG A 94 6.592 1.193 10.360 1.00 0.00 O ATOM 1493 CB ARG A 94 6.710 4.397 10.494 1.00 0.00 C ATOM 1494 CG ARG A 94 6.888 5.840 10.048 1.00 0.00 C ATOM 1495 CD ARG A 94 5.716 6.336 9.224 1.00 0.00 C ATOM 1496 NE ARG A 94 5.879 7.741 8.862 1.00 0.00 N ATOM 1497 CZ ARG A 94 5.381 8.292 7.761 1.00 0.00 C ATOM 1498 NH1 ARG A 94 4.676 7.560 6.917 1.00 0.00 N ATOM 1499 NH2 ARG A 94 5.600 9.572 7.502 1.00 0.00 N ATOM 0 H ARG A 94 4.626 3.339 9.501 1.00 0.00 H new ATOM 0 HA ARG A 94 7.319 3.754 8.537 1.00 0.00 H new ATOM 0 HB2 ARG A 94 5.768 4.313 11.036 1.00 0.00 H new ATOM 0 HB3 ARG A 94 7.505 4.148 11.196 1.00 0.00 H new ATOM 0 HG2 ARG A 94 7.008 6.477 10.924 1.00 0.00 H new ATOM 0 HG3 ARG A 94 7.803 5.927 9.463 1.00 0.00 H new ATOM 0 HD2 ARG A 94 5.623 5.734 8.320 1.00 0.00 H new ATOM 0 HD3 ARG A 94 4.792 6.208 9.788 1.00 0.00 H new ATOM 0 HE ARG A 94 6.410 8.338 9.496 1.00 0.00 H new ATOM 0 HH11 ARG A 94 4.514 6.572 7.111 1.00 0.00 H new ATOM 0 HH12 ARG A 94 4.293 7.983 6.071 1.00 0.00 H new ATOM 0 HH21 ARG A 94 6.152 10.136 8.148 1.00 0.00 H new ATOM 0 HH22 ARG A 94 5.217 9.994 6.656 1.00 0.00 H new ATOM 1513 N TRP A 95 8.624 1.956 9.787 1.00 0.00 N ATOM 1514 CA TRP A 95 9.331 0.815 10.335 1.00 0.00 C ATOM 1515 C TRP A 95 10.632 1.271 10.972 1.00 0.00 C ATOM 1516 O TRP A 95 11.583 1.632 10.279 1.00 0.00 O ATOM 1517 CB TRP A 95 9.598 -0.234 9.258 1.00 0.00 C ATOM 1518 CG TRP A 95 9.004 -1.564 9.603 1.00 0.00 C ATOM 1519 CD1 TRP A 95 9.288 -2.317 10.701 1.00 0.00 C ATOM 1520 CD2 TRP A 95 8.020 -2.289 8.859 1.00 0.00 C ATOM 1521 NE1 TRP A 95 8.547 -3.474 10.685 1.00 0.00 N ATOM 1522 CE2 TRP A 95 7.759 -3.481 9.563 1.00 0.00 C ATOM 1523 CE3 TRP A 95 7.335 -2.048 7.669 1.00 0.00 C ATOM 1524 CZ2 TRP A 95 6.842 -4.428 9.110 1.00 0.00 C ATOM 1525 CZ3 TRP A 95 6.425 -2.986 7.220 1.00 0.00 C ATOM 1526 CH2 TRP A 95 6.184 -4.163 7.940 1.00 0.00 C ATOM 0 H TRP A 95 9.224 2.645 9.333 1.00 0.00 H new ATOM 0 HA TRP A 95 8.705 0.354 11.099 1.00 0.00 H new ATOM 0 HB2 TRP A 95 9.187 0.110 8.309 1.00 0.00 H new ATOM 0 HB3 TRP A 95 10.674 -0.344 9.119 1.00 0.00 H new ATOM 0 HD1 TRP A 95 9.993 -2.045 11.472 1.00 0.00 H new ATOM 0 HE1 TRP A 95 8.578 -4.208 11.393 1.00 0.00 H new ATOM 0 HE3 TRP A 95 7.513 -1.143 7.107 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 6.658 -5.338 9.662 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 5.891 -2.809 6.298 1.00 0.00 H new ATOM 0 HH2 TRP A 95 5.465 -4.875 7.564 1.00 0.00 H new ATOM 1537 N ARG A 96 10.651 1.275 12.298 1.00 0.00 N ATOM 1538 CA ARG A 96 11.819 1.708 13.057 1.00 0.00 C ATOM 1539 C ARG A 96 12.896 0.633 13.064 1.00 0.00 C ATOM 1540 O ARG A 96 14.071 0.917 13.295 1.00 0.00 O ATOM 1541 CB ARG A 96 11.420 2.053 14.490 1.00 0.00 C ATOM 1542 CG ARG A 96 11.106 3.523 14.710 1.00 0.00 C ATOM 1543 CD ARG A 96 10.590 3.759 16.119 1.00 0.00 C ATOM 1544 NE ARG A 96 10.789 5.134 16.571 1.00 0.00 N ATOM 1545 CZ ARG A 96 11.408 5.445 17.710 1.00 0.00 C ATOM 1546 NH1 ARG A 96 11.904 4.482 18.478 1.00 0.00 N ATOM 1547 NH2 ARG A 96 11.539 6.714 18.082 1.00 0.00 N ATOM 0 H ARG A 96 9.864 0.981 12.876 1.00 0.00 H new ATOM 0 HA ARG A 96 12.224 2.597 12.574 1.00 0.00 H new ATOM 0 HB2 ARG A 96 10.547 1.461 14.765 1.00 0.00 H new ATOM 0 HB3 ARG A 96 12.228 1.761 15.161 1.00 0.00 H new ATOM 0 HG2 ARG A 96 12.002 4.120 14.541 1.00 0.00 H new ATOM 0 HG3 ARG A 96 10.362 3.853 13.985 1.00 0.00 H new ATOM 0 HD2 ARG A 96 9.527 3.519 16.157 1.00 0.00 H new ATOM 0 HD3 ARG A 96 11.095 3.079 16.805 1.00 0.00 H new ATOM 0 HE ARG A 96 10.437 5.893 15.987 1.00 0.00 H new ATOM 0 HH11 ARG A 96 11.811 3.506 18.196 1.00 0.00 H new ATOM 0 HH12 ARG A 96 12.378 4.718 19.350 1.00 0.00 H new ATOM 0 HH21 ARG A 96 11.164 7.459 17.494 1.00 0.00 H new ATOM 0 HH22 ARG A 96 12.014 6.943 18.955 1.00 0.00 H new ATOM 1561 N GLY A 97 12.483 -0.598 12.814 1.00 0.00 N ATOM 1562 CA GLY A 97 13.416 -1.703 12.770 1.00 0.00 C ATOM 1563 C GLY A 97 13.383 -2.404 11.429 1.00 0.00 C ATOM 1564 O GLY A 97 13.763 -1.826 10.411 1.00 0.00 O ATOM 0 H GLY A 97 11.511 -0.853 12.639 1.00 0.00 H new ATOM 0 HA2 GLY A 97 14.424 -1.337 12.966 1.00 0.00 H new ATOM 0 HA3 GLY A 97 13.176 -2.415 13.560 1.00 0.00 H new ATOM 1568 N TYR A 98 12.936 -3.650 11.430 1.00 0.00 N ATOM 1569 CA TYR A 98 12.778 -4.406 10.208 1.00 0.00 C ATOM 1570 C TYR A 98 11.514 -5.259 10.272 1.00 0.00 C ATOM 1571 O TYR A 98 10.716 -5.268 9.339 1.00 0.00 O ATOM 1572 CB TYR A 98 14.019 -5.267 9.935 1.00 0.00 C ATOM 1573 CG TYR A 98 14.620 -5.945 11.154 1.00 0.00 C ATOM 1574 CD1 TYR A 98 15.460 -5.250 12.018 1.00 0.00 C ATOM 1575 CD2 TYR A 98 14.362 -7.283 11.427 1.00 0.00 C ATOM 1576 CE1 TYR A 98 16.019 -5.867 13.121 1.00 0.00 C ATOM 1577 CE2 TYR A 98 14.922 -7.908 12.528 1.00 0.00 C ATOM 1578 CZ TYR A 98 15.748 -7.196 13.372 1.00 0.00 C ATOM 1579 OH TYR A 98 16.306 -7.810 14.469 1.00 0.00 O ATOM 0 H TYR A 98 12.675 -4.159 12.275 1.00 0.00 H new ATOM 0 HA TYR A 98 12.673 -3.707 9.378 1.00 0.00 H new ATOM 0 HB2 TYR A 98 13.756 -6.034 9.206 1.00 0.00 H new ATOM 0 HB3 TYR A 98 14.782 -4.639 9.476 1.00 0.00 H new ATOM 0 HD1 TYR A 98 15.679 -4.210 11.823 1.00 0.00 H new ATOM 0 HD2 TYR A 98 13.714 -7.844 10.770 1.00 0.00 H new ATOM 0 HE1 TYR A 98 16.665 -5.311 13.784 1.00 0.00 H new ATOM 0 HE2 TYR A 98 14.713 -8.949 12.725 1.00 0.00 H new ATOM 0 HH TYR A 98 16.015 -8.745 14.504 1.00 0.00 H new ATOM 1589 N LEU A 99 11.341 -5.974 11.375 1.00 0.00 N ATOM 1590 CA LEU A 99 10.128 -6.728 11.623 1.00 0.00 C ATOM 1591 C LEU A 99 9.735 -6.602 13.089 1.00 0.00 C ATOM 1592 O LEU A 99 8.800 -5.876 13.435 1.00 0.00 O ATOM 1593 CB LEU A 99 10.332 -8.196 11.254 1.00 0.00 C ATOM 1594 CG LEU A 99 10.412 -8.502 9.753 1.00 0.00 C ATOM 1595 CD1 LEU A 99 10.752 -9.967 9.523 1.00 0.00 C ATOM 1596 CD2 LEU A 99 9.101 -8.145 9.063 1.00 0.00 C ATOM 0 H LEU A 99 12.036 -6.045 12.118 1.00 0.00 H new ATOM 0 HA LEU A 99 9.326 -6.325 11.004 1.00 0.00 H new ATOM 0 HB2 LEU A 99 11.250 -8.546 11.726 1.00 0.00 H new ATOM 0 HB3 LEU A 99 9.513 -8.776 11.681 1.00 0.00 H new ATOM 0 HG LEU A 99 11.206 -7.892 9.321 1.00 0.00 H new ATOM 0 HD11 LEU A 99 10.804 -10.165 8.452 1.00 0.00 H new ATOM 0 HD12 LEU A 99 11.715 -10.193 9.981 1.00 0.00 H new ATOM 0 HD13 LEU A 99 9.981 -10.594 9.970 1.00 0.00 H new ATOM 0 HD21 LEU A 99 9.177 -8.369 7.999 1.00 0.00 H new ATOM 0 HD22 LEU A 99 8.290 -8.728 9.499 1.00 0.00 H new ATOM 0 HD23 LEU A 99 8.897 -7.083 9.196 1.00 0.00 H new