USER MOD reduce.3.24.130724 H: found=0, std=0, add=754, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 752 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 16 HIS : no HD1:sc= -5.05! C(o=-5!,f=-6.4!) USER MOD Set 1.2: A 38 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 11 SER OG : rot -113:sc= -1.36 USER MOD Set 2.2: A 13 HIS : no HE2:sc= -0.794 K(o=-2.2,f=-10!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 172:sc= 0 (180deg=-0.0765) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN :FLIP amide:sc= -2.17 F(o=-3,f=-2.2) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 62:sc= -0.0428! USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -140:sc= -0.0223 (180deg=-0.0724) USER MOD Single : A 32 TYR OH : rot 180:sc= -0.775 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 17:sc= -0.412 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= -0.0688 K(o=-0.069,f=-1.4!) USER MOD Single : A 67 THR OG1 : rot 42:sc= -0.163 USER MOD Single : A 69 THR OG1 : rot -38:sc= 0.126! USER MOD Single : A 76 GLN :FLIP amide:sc= -0.36 F(o=-1.1,f=-0.36) USER MOD Single : A 82 GLN : amide:sc= -0.166 K(o=-0.17,f=-1.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -10.474 9.649 -8.671 1.00 0.00 N ATOM 2 CA MET A 1 -9.112 9.439 -9.241 1.00 0.00 C ATOM 3 C MET A 1 -8.151 8.949 -8.154 1.00 0.00 C ATOM 4 O MET A 1 -6.993 9.314 -8.126 1.00 0.00 O ATOM 5 CB MET A 1 -8.682 10.813 -9.757 1.00 0.00 C ATOM 6 CG MET A 1 -8.454 10.741 -11.268 1.00 0.00 C ATOM 7 SD MET A 1 -10.037 10.934 -12.124 1.00 0.00 S ATOM 8 CE MET A 1 -9.368 11.352 -13.753 1.00 0.00 C ATOM 0 H1 MET A 1 -11.080 10.108 -9.381 1.00 0.00 H new ATOM 0 H2 MET A 1 -10.885 8.731 -8.406 1.00 0.00 H new ATOM 0 H3 MET A 1 -10.408 10.255 -7.828 1.00 0.00 H new ATOM 0 HA MET A 1 -9.107 8.687 -10.030 1.00 0.00 H new ATOM 0 HB2 MET A 1 -9.447 11.555 -9.529 1.00 0.00 H new ATOM 0 HB3 MET A 1 -7.769 11.132 -9.255 1.00 0.00 H new ATOM 0 HG2 MET A 1 -7.761 11.523 -11.580 1.00 0.00 H new ATOM 0 HG3 MET A 1 -7.998 9.787 -11.533 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.188 11.516 -14.452 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.768 12.259 -13.678 1.00 0.00 H new ATOM 0 HE3 MET A 1 -8.744 10.533 -14.111 1.00 0.00 H new ATOM 20 N VAL A 2 -8.623 8.125 -7.261 1.00 0.00 N ATOM 21 CA VAL A 2 -7.733 7.613 -6.179 1.00 0.00 C ATOM 22 C VAL A 2 -6.684 6.667 -6.767 1.00 0.00 C ATOM 23 O VAL A 2 -6.990 5.809 -7.568 1.00 0.00 O ATOM 24 CB VAL A 2 -8.658 6.859 -5.223 1.00 0.00 C ATOM 25 CG1 VAL A 2 -7.863 6.404 -3.999 1.00 0.00 C ATOM 26 CG2 VAL A 2 -9.795 7.783 -4.775 1.00 0.00 C ATOM 0 H VAL A 2 -9.584 7.784 -7.232 1.00 0.00 H new ATOM 0 HA VAL A 2 -7.195 8.415 -5.673 1.00 0.00 H new ATOM 0 HB VAL A 2 -9.075 5.990 -5.732 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -8.521 5.866 -3.317 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -7.053 5.747 -4.315 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -7.447 7.274 -3.491 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -10.454 7.245 -4.094 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -9.378 8.652 -4.266 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -10.363 8.110 -5.646 1.00 0.00 H new ATOM 36 N LYS A 3 -5.448 6.819 -6.380 1.00 0.00 N ATOM 37 CA LYS A 3 -4.384 5.926 -6.922 1.00 0.00 C ATOM 38 C LYS A 3 -3.394 5.549 -5.818 1.00 0.00 C ATOM 39 O LYS A 3 -2.971 6.384 -5.042 1.00 0.00 O ATOM 40 CB LYS A 3 -3.688 6.752 -8.004 1.00 0.00 C ATOM 41 CG LYS A 3 -4.361 6.498 -9.354 1.00 0.00 C ATOM 42 CD LYS A 3 -4.773 7.833 -9.975 1.00 0.00 C ATOM 43 CE LYS A 3 -6.094 7.661 -10.726 1.00 0.00 C ATOM 44 NZ LYS A 3 -5.782 8.023 -12.136 1.00 0.00 N ATOM 0 H LYS A 3 -5.128 7.521 -5.713 1.00 0.00 H new ATOM 0 HA LYS A 3 -4.790 4.994 -7.316 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -3.738 7.812 -7.755 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -2.632 6.486 -8.056 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -3.678 5.970 -10.020 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -5.235 5.860 -9.223 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -4.880 8.590 -9.198 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -3.998 8.184 -10.657 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -6.460 6.637 -10.653 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -6.870 8.307 -10.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -6.640 7.930 -12.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -5.442 9.005 -12.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -5.045 7.387 -12.503 1.00 0.00 H new ATOM 58 N ILE A 4 -3.007 4.304 -5.748 1.00 0.00 N ATOM 59 CA ILE A 4 -2.035 3.893 -4.702 1.00 0.00 C ATOM 60 C ILE A 4 -0.635 3.803 -5.319 1.00 0.00 C ATOM 61 O ILE A 4 -0.465 3.333 -6.425 1.00 0.00 O ATOM 62 CB ILE A 4 -2.524 2.536 -4.194 1.00 0.00 C ATOM 63 CG1 ILE A 4 -3.811 2.736 -3.395 1.00 0.00 C ATOM 64 CG2 ILE A 4 -1.463 1.898 -3.293 1.00 0.00 C ATOM 65 CD1 ILE A 4 -4.550 1.405 -3.286 1.00 0.00 C ATOM 0 H ILE A 4 -3.322 3.558 -6.369 1.00 0.00 H new ATOM 0 HA ILE A 4 -1.971 4.605 -3.879 1.00 0.00 H new ATOM 0 HB ILE A 4 -2.710 1.880 -5.044 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -3.580 3.119 -2.401 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -4.444 3.477 -3.883 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -1.821 0.932 -2.937 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -0.542 1.757 -3.859 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -1.269 2.550 -2.441 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -5.469 1.545 -2.716 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -4.794 1.041 -4.284 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -3.916 0.677 -2.779 1.00 0.00 H new ATOM 77 N ARG A 5 0.367 4.266 -4.625 1.00 0.00 N ATOM 78 CA ARG A 5 1.740 4.217 -5.190 1.00 0.00 C ATOM 79 C ARG A 5 2.780 4.098 -4.076 1.00 0.00 C ATOM 80 O ARG A 5 2.453 3.887 -2.926 1.00 0.00 O ATOM 81 CB ARG A 5 1.913 5.538 -5.946 1.00 0.00 C ATOM 82 CG ARG A 5 1.596 6.711 -5.015 1.00 0.00 C ATOM 83 CD ARG A 5 2.339 7.961 -5.494 1.00 0.00 C ATOM 84 NE ARG A 5 1.270 8.973 -5.731 1.00 0.00 N ATOM 85 CZ ARG A 5 1.562 10.249 -5.826 1.00 0.00 C ATOM 86 NH1 ARG A 5 2.799 10.668 -5.702 1.00 0.00 N ATOM 87 NH2 ARG A 5 0.609 11.113 -6.045 1.00 0.00 N ATOM 0 H ARG A 5 0.293 4.675 -3.693 1.00 0.00 H new ATOM 0 HA ARG A 5 1.878 3.353 -5.840 1.00 0.00 H new ATOM 0 HB2 ARG A 5 2.933 5.623 -6.320 1.00 0.00 H new ATOM 0 HB3 ARG A 5 1.253 5.561 -6.813 1.00 0.00 H new ATOM 0 HG2 ARG A 5 0.522 6.897 -5.000 1.00 0.00 H new ATOM 0 HG3 ARG A 5 1.891 6.469 -3.994 1.00 0.00 H new ATOM 0 HD2 ARG A 5 3.053 8.307 -4.747 1.00 0.00 H new ATOM 0 HD3 ARG A 5 2.903 7.761 -6.405 1.00 0.00 H new ATOM 0 HE ARG A 5 0.300 8.670 -5.820 1.00 0.00 H new ATOM 0 HH11 ARG A 5 3.549 9.999 -5.529 1.00 0.00 H new ATOM 0 HH12 ARG A 5 3.011 11.663 -5.778 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -0.355 10.795 -6.141 1.00 0.00 H new ATOM 0 HH22 ARG A 5 0.828 12.106 -6.120 1.00 0.00 H new ATOM 101 N LEU A 6 4.034 4.228 -4.412 1.00 0.00 N ATOM 102 CA LEU A 6 5.101 4.115 -3.383 1.00 0.00 C ATOM 103 C LEU A 6 5.402 5.475 -2.755 1.00 0.00 C ATOM 104 O LEU A 6 5.662 6.446 -3.437 1.00 0.00 O ATOM 105 CB LEU A 6 6.327 3.618 -4.147 1.00 0.00 C ATOM 106 CG LEU A 6 6.194 2.122 -4.406 1.00 0.00 C ATOM 107 CD1 LEU A 6 5.314 1.887 -5.635 1.00 0.00 C ATOM 108 CD2 LEU A 6 7.581 1.524 -4.651 1.00 0.00 C ATOM 0 H LEU A 6 4.365 4.408 -5.360 1.00 0.00 H new ATOM 0 HA LEU A 6 4.808 3.449 -2.571 1.00 0.00 H new ATOM 0 HB2 LEU A 6 6.422 4.154 -5.091 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.232 3.819 -3.574 1.00 0.00 H new ATOM 0 HG LEU A 6 5.737 1.645 -3.539 1.00 0.00 H new ATOM 0 HD11 LEU A 6 5.221 0.816 -5.817 1.00 0.00 H new ATOM 0 HD12 LEU A 6 4.326 2.312 -5.461 1.00 0.00 H new ATOM 0 HD13 LEU A 6 5.767 2.365 -6.504 1.00 0.00 H new ATOM 0 HD21 LEU A 6 7.488 0.454 -4.836 1.00 0.00 H new ATOM 0 HD22 LEU A 6 8.036 2.004 -5.517 1.00 0.00 H new ATOM 0 HD23 LEU A 6 8.208 1.687 -3.774 1.00 0.00 H new ATOM 120 N ALA A 7 5.395 5.540 -1.454 1.00 0.00 N ATOM 121 CA ALA A 7 5.708 6.822 -0.764 1.00 0.00 C ATOM 122 C ALA A 7 7.160 6.772 -0.302 1.00 0.00 C ATOM 123 O ALA A 7 7.716 5.711 -0.162 1.00 0.00 O ATOM 124 CB ALA A 7 4.756 6.869 0.428 1.00 0.00 C ATOM 0 H ALA A 7 5.185 4.757 -0.835 1.00 0.00 H new ATOM 0 HA ALA A 7 5.587 7.701 -1.397 1.00 0.00 H new ATOM 0 HB1 ALA A 7 4.923 7.787 0.991 1.00 0.00 H new ATOM 0 HB2 ALA A 7 3.726 6.844 0.072 1.00 0.00 H new ATOM 0 HB3 ALA A 7 4.938 6.009 1.073 1.00 0.00 H new ATOM 130 N ARG A 8 7.793 7.894 -0.086 1.00 0.00 N ATOM 131 CA ARG A 8 9.219 7.855 0.338 1.00 0.00 C ATOM 132 C ARG A 8 9.451 8.655 1.621 1.00 0.00 C ATOM 133 O ARG A 8 9.410 9.870 1.627 1.00 0.00 O ATOM 134 CB ARG A 8 9.985 8.479 -0.829 1.00 0.00 C ATOM 135 CG ARG A 8 11.471 8.576 -0.478 1.00 0.00 C ATOM 136 CD ARG A 8 12.299 8.535 -1.763 1.00 0.00 C ATOM 137 NE ARG A 8 12.776 9.935 -1.959 1.00 0.00 N ATOM 138 CZ ARG A 8 13.776 10.410 -1.255 1.00 0.00 C ATOM 139 NH1 ARG A 8 14.373 9.674 -0.350 1.00 0.00 N ATOM 140 NH2 ARG A 8 14.181 11.635 -1.456 1.00 0.00 N ATOM 0 H ARG A 8 7.388 8.825 -0.184 1.00 0.00 H new ATOM 0 HA ARG A 8 9.543 6.838 0.560 1.00 0.00 H new ATOM 0 HB2 ARG A 8 9.852 7.876 -1.727 1.00 0.00 H new ATOM 0 HB3 ARG A 8 9.588 9.470 -1.049 1.00 0.00 H new ATOM 0 HG2 ARG A 8 11.668 9.500 0.066 1.00 0.00 H new ATOM 0 HG3 ARG A 8 11.756 7.753 0.178 1.00 0.00 H new ATOM 0 HD2 ARG A 8 13.135 7.842 -1.672 1.00 0.00 H new ATOM 0 HD3 ARG A 8 11.699 8.200 -2.609 1.00 0.00 H new ATOM 0 HE ARG A 8 12.319 10.531 -2.649 1.00 0.00 H new ATOM 0 HH11 ARG A 8 14.062 8.717 -0.185 1.00 0.00 H new ATOM 0 HH12 ARG A 8 15.149 10.058 0.189 1.00 0.00 H new ATOM 0 HH21 ARG A 8 13.720 12.216 -2.157 1.00 0.00 H new ATOM 0 HH22 ARG A 8 14.958 12.011 -0.912 1.00 0.00 H new ATOM 154 N PHE A 9 9.714 7.980 2.709 1.00 0.00 N ATOM 155 CA PHE A 9 9.973 8.708 3.994 1.00 0.00 C ATOM 156 C PHE A 9 11.390 8.390 4.488 1.00 0.00 C ATOM 157 O PHE A 9 12.280 8.104 3.712 1.00 0.00 O ATOM 158 CB PHE A 9 8.961 8.192 5.031 1.00 0.00 C ATOM 159 CG PHE A 9 7.713 7.645 4.393 1.00 0.00 C ATOM 160 CD1 PHE A 9 7.691 6.330 3.918 1.00 0.00 C ATOM 161 CD2 PHE A 9 6.572 8.443 4.301 1.00 0.00 C ATOM 162 CE1 PHE A 9 6.530 5.821 3.351 1.00 0.00 C ATOM 163 CE2 PHE A 9 5.409 7.929 3.739 1.00 0.00 C ATOM 164 CZ PHE A 9 5.390 6.619 3.264 1.00 0.00 C ATOM 0 H PHE A 9 9.761 6.963 2.767 1.00 0.00 H new ATOM 0 HA PHE A 9 9.876 9.784 3.848 1.00 0.00 H new ATOM 0 HB2 PHE A 9 9.428 7.414 5.634 1.00 0.00 H new ATOM 0 HB3 PHE A 9 8.694 9.003 5.708 1.00 0.00 H new ATOM 0 HD1 PHE A 9 8.574 5.712 3.992 1.00 0.00 H new ATOM 0 HD2 PHE A 9 6.592 9.459 4.666 1.00 0.00 H new ATOM 0 HE1 PHE A 9 6.510 4.808 2.978 1.00 0.00 H new ATOM 0 HE2 PHE A 9 4.523 8.543 3.671 1.00 0.00 H new ATOM 0 HZ PHE A 9 4.487 6.220 2.826 1.00 0.00 H new ATOM 174 N GLY A 10 11.598 8.424 5.781 1.00 0.00 N ATOM 175 CA GLY A 10 12.941 8.110 6.331 1.00 0.00 C ATOM 176 C GLY A 10 13.803 9.375 6.343 1.00 0.00 C ATOM 177 O GLY A 10 14.351 9.773 5.334 1.00 0.00 O ATOM 0 H GLY A 10 10.890 8.657 6.477 1.00 0.00 H new ATOM 0 HA2 GLY A 10 12.847 7.713 7.342 1.00 0.00 H new ATOM 0 HA3 GLY A 10 13.420 7.338 5.729 1.00 0.00 H new ATOM 181 N SER A 11 13.927 10.010 7.478 1.00 0.00 N ATOM 182 CA SER A 11 14.754 11.250 7.549 1.00 0.00 C ATOM 183 C SER A 11 16.223 10.914 7.274 1.00 0.00 C ATOM 184 O SER A 11 16.849 11.478 6.400 1.00 0.00 O ATOM 185 CB SER A 11 14.562 11.775 8.981 1.00 0.00 C ATOM 186 OG SER A 11 15.705 11.470 9.770 1.00 0.00 O ATOM 0 H SER A 11 13.493 9.725 8.356 1.00 0.00 H new ATOM 0 HA SER A 11 14.460 11.994 6.809 1.00 0.00 H new ATOM 0 HB2 SER A 11 14.400 12.853 8.963 1.00 0.00 H new ATOM 0 HB3 SER A 11 13.673 11.326 9.425 1.00 0.00 H new ATOM 0 HG SER A 11 15.461 10.821 10.463 1.00 0.00 H new ATOM 192 N LYS A 12 16.773 9.998 8.023 1.00 0.00 N ATOM 193 CA LYS A 12 18.199 9.620 7.822 1.00 0.00 C ATOM 194 C LYS A 12 18.527 8.367 8.633 1.00 0.00 C ATOM 195 O LYS A 12 19.555 8.279 9.275 1.00 0.00 O ATOM 196 CB LYS A 12 18.995 10.816 8.340 1.00 0.00 C ATOM 197 CG LYS A 12 18.672 11.056 9.819 1.00 0.00 C ATOM 198 CD LYS A 12 19.937 11.512 10.550 1.00 0.00 C ATOM 199 CE LYS A 12 20.042 13.037 10.490 1.00 0.00 C ATOM 200 NZ LYS A 12 21.443 13.342 10.893 1.00 0.00 N ATOM 0 H LYS A 12 16.293 9.493 8.768 1.00 0.00 H new ATOM 0 HA LYS A 12 18.429 9.395 6.781 1.00 0.00 H new ATOM 0 HB2 LYS A 12 20.063 10.634 8.217 1.00 0.00 H new ATOM 0 HB3 LYS A 12 18.753 11.705 7.757 1.00 0.00 H new ATOM 0 HG2 LYS A 12 17.892 11.811 9.914 1.00 0.00 H new ATOM 0 HG3 LYS A 12 18.287 10.142 10.271 1.00 0.00 H new ATOM 0 HD2 LYS A 12 19.909 11.180 11.588 1.00 0.00 H new ATOM 0 HD3 LYS A 12 20.817 11.058 10.093 1.00 0.00 H new ATOM 0 HE2 LYS A 12 19.830 13.408 9.487 1.00 0.00 H new ATOM 0 HE3 LYS A 12 19.326 13.509 11.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 21.593 14.371 10.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 21.614 12.983 11.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 22.102 12.885 10.231 1.00 0.00 H new ATOM 214 N HIS A 13 17.655 7.398 8.618 1.00 0.00 N ATOM 215 CA HIS A 13 17.911 6.150 9.400 1.00 0.00 C ATOM 216 C HIS A 13 17.849 4.948 8.461 1.00 0.00 C ATOM 217 O HIS A 13 18.781 4.179 8.340 1.00 0.00 O ATOM 218 CB HIS A 13 16.782 6.045 10.440 1.00 0.00 C ATOM 219 CG HIS A 13 16.345 7.415 10.872 1.00 0.00 C ATOM 220 ND1 HIS A 13 17.068 8.166 11.777 1.00 0.00 N ATOM 221 CD2 HIS A 13 15.288 8.195 10.489 1.00 0.00 C ATOM 222 CE1 HIS A 13 16.446 9.346 11.906 1.00 0.00 C ATOM 223 NE2 HIS A 13 15.350 9.417 11.146 1.00 0.00 N ATOM 0 H HIS A 13 16.777 7.413 8.100 1.00 0.00 H new ATOM 0 HA HIS A 13 18.890 6.172 9.879 1.00 0.00 H new ATOM 0 HB2 HIS A 13 15.937 5.503 10.016 1.00 0.00 H new ATOM 0 HB3 HIS A 13 17.125 5.476 11.304 1.00 0.00 H new ATOM 0 HD1 HIS A 13 17.919 7.876 12.259 1.00 0.00 H new ATOM 0 HD2 HIS A 13 14.523 7.905 9.784 1.00 0.00 H new ATOM 0 HE1 HIS A 13 16.790 10.144 12.548 1.00 0.00 H new ATOM 231 N ASN A 14 16.739 4.794 7.795 1.00 0.00 N ATOM 232 CA ASN A 14 16.568 3.659 6.851 1.00 0.00 C ATOM 233 C ASN A 14 15.567 4.058 5.759 1.00 0.00 C ATOM 234 O ASN A 14 14.473 4.492 6.062 1.00 0.00 O ATOM 235 CB ASN A 14 16.008 2.526 7.710 1.00 0.00 C ATOM 236 CG ASN A 14 17.094 2.031 8.668 1.00 0.00 C ATOM 237 OD1 ASN A 14 18.259 1.686 8.193 1.00 0.00 O flip ATOM 238 ND2 ASN A 14 16.879 1.958 9.862 1.00 0.00 N flip ATOM 0 H ASN A 14 15.933 5.416 7.867 1.00 0.00 H new ATOM 0 HA ASN A 14 17.494 3.370 6.354 1.00 0.00 H new ATOM 0 HB2 ASN A 14 15.142 2.875 8.273 1.00 0.00 H new ATOM 0 HB3 ASN A 14 15.667 1.708 7.075 1.00 0.00 H new ATOM 0 HD21 ASN A 14 15.968 2.228 10.234 1.00 0.00 H new ATOM 0 HD22 ASN A 14 17.609 1.627 10.492 1.00 0.00 H new ATOM 245 N PRO A 15 15.968 3.920 4.520 1.00 0.00 N ATOM 246 CA PRO A 15 15.077 4.298 3.397 1.00 0.00 C ATOM 247 C PRO A 15 13.940 3.286 3.230 1.00 0.00 C ATOM 248 O PRO A 15 14.160 2.143 2.888 1.00 0.00 O ATOM 249 CB PRO A 15 16.001 4.277 2.183 1.00 0.00 C ATOM 250 CG PRO A 15 17.108 3.340 2.551 1.00 0.00 C ATOM 251 CD PRO A 15 17.263 3.406 4.048 1.00 0.00 C ATOM 0 HA PRO A 15 14.595 5.264 3.550 1.00 0.00 H new ATOM 0 HB2 PRO A 15 15.474 3.934 1.293 1.00 0.00 H new ATOM 0 HB3 PRO A 15 16.385 5.273 1.963 1.00 0.00 H new ATOM 0 HG2 PRO A 15 16.875 2.324 2.232 1.00 0.00 H new ATOM 0 HG3 PRO A 15 18.035 3.625 2.055 1.00 0.00 H new ATOM 0 HD2 PRO A 15 17.480 2.425 4.470 1.00 0.00 H new ATOM 0 HD3 PRO A 15 18.082 4.065 4.335 1.00 0.00 H new ATOM 259 N HIS A 16 12.722 3.705 3.458 1.00 0.00 N ATOM 260 CA HIS A 16 11.562 2.777 3.297 1.00 0.00 C ATOM 261 C HIS A 16 10.380 3.521 2.689 1.00 0.00 C ATOM 262 O HIS A 16 10.156 4.681 2.964 1.00 0.00 O ATOM 263 CB HIS A 16 11.207 2.298 4.706 1.00 0.00 C ATOM 264 CG HIS A 16 10.813 3.470 5.564 1.00 0.00 C ATOM 265 ND1 HIS A 16 9.611 4.165 5.404 1.00 0.00 N ATOM 266 CD2 HIS A 16 11.462 4.079 6.608 1.00 0.00 C ATOM 267 CE1 HIS A 16 9.594 5.137 6.338 1.00 0.00 C ATOM 268 NE2 HIS A 16 10.693 5.126 7.094 1.00 0.00 N ATOM 0 H HIS A 16 12.480 4.652 3.749 1.00 0.00 H new ATOM 0 HA HIS A 16 11.805 1.943 2.638 1.00 0.00 H new ATOM 0 HB2 HIS A 16 10.389 1.580 4.659 1.00 0.00 H new ATOM 0 HB3 HIS A 16 12.059 1.782 5.149 1.00 0.00 H new ATOM 0 HD2 HIS A 16 12.427 3.787 6.994 1.00 0.00 H new ATOM 0 HE1 HIS A 16 8.785 5.842 6.460 1.00 0.00 H new ATOM 0 HE2 HIS A 16 10.920 5.754 7.865 1.00 0.00 H new ATOM 276 N TYR A 17 9.619 2.862 1.871 1.00 0.00 N ATOM 277 CA TYR A 17 8.444 3.516 1.256 1.00 0.00 C ATOM 278 C TYR A 17 7.176 2.842 1.736 1.00 0.00 C ATOM 279 O TYR A 17 7.214 1.848 2.431 1.00 0.00 O ATOM 280 CB TYR A 17 8.547 3.216 -0.231 1.00 0.00 C ATOM 281 CG TYR A 17 9.802 3.763 -0.863 1.00 0.00 C ATOM 282 CD1 TYR A 17 10.584 4.725 -0.216 1.00 0.00 C ATOM 283 CD2 TYR A 17 10.169 3.294 -2.126 1.00 0.00 C ATOM 284 CE1 TYR A 17 11.735 5.214 -0.838 1.00 0.00 C ATOM 285 CE2 TYR A 17 11.316 3.780 -2.750 1.00 0.00 C ATOM 286 CZ TYR A 17 12.103 4.743 -2.107 1.00 0.00 C ATOM 287 OH TYR A 17 13.241 5.227 -2.722 1.00 0.00 O ATOM 0 H TYR A 17 9.763 1.889 1.600 1.00 0.00 H new ATOM 0 HA TYR A 17 8.420 4.579 1.496 1.00 0.00 H new ATOM 0 HB2 TYR A 17 8.514 2.137 -0.380 1.00 0.00 H new ATOM 0 HB3 TYR A 17 7.679 3.635 -0.740 1.00 0.00 H new ATOM 0 HD1 TYR A 17 10.299 5.088 0.760 1.00 0.00 H new ATOM 0 HD2 TYR A 17 9.561 2.551 -2.621 1.00 0.00 H new ATOM 0 HE1 TYR A 17 12.343 5.956 -0.341 1.00 0.00 H new ATOM 0 HE2 TYR A 17 11.597 3.415 -3.727 1.00 0.00 H new ATOM 0 HH TYR A 17 13.350 4.795 -3.595 1.00 0.00 H new ATOM 297 N ARG A 18 6.052 3.332 1.311 1.00 0.00 N ATOM 298 CA ARG A 18 4.786 2.666 1.673 1.00 0.00 C ATOM 299 C ARG A 18 3.905 2.625 0.437 1.00 0.00 C ATOM 300 O ARG A 18 4.036 3.441 -0.454 1.00 0.00 O ATOM 301 CB ARG A 18 4.145 3.509 2.769 1.00 0.00 C ATOM 302 CG ARG A 18 4.786 3.176 4.118 1.00 0.00 C ATOM 303 CD ARG A 18 4.165 4.053 5.210 1.00 0.00 C ATOM 304 NE ARG A 18 5.276 4.317 6.170 1.00 0.00 N ATOM 305 CZ ARG A 18 5.173 5.265 7.073 1.00 0.00 C ATOM 306 NH1 ARG A 18 4.097 6.007 7.152 1.00 0.00 N ATOM 307 NH2 ARG A 18 6.159 5.471 7.903 1.00 0.00 N ATOM 0 H ARG A 18 5.958 4.164 0.729 1.00 0.00 H new ATOM 0 HA ARG A 18 4.935 1.646 2.028 1.00 0.00 H new ATOM 0 HB2 ARG A 18 4.272 4.569 2.547 1.00 0.00 H new ATOM 0 HB3 ARG A 18 3.073 3.318 2.808 1.00 0.00 H new ATOM 0 HG2 ARG A 18 4.636 2.122 4.354 1.00 0.00 H new ATOM 0 HG3 ARG A 18 5.862 3.342 4.072 1.00 0.00 H new ATOM 0 HD2 ARG A 18 3.773 4.981 4.795 1.00 0.00 H new ATOM 0 HD3 ARG A 18 3.333 3.546 5.699 1.00 0.00 H new ATOM 0 HE ARG A 18 6.126 3.755 6.124 1.00 0.00 H new ATOM 0 HH11 ARG A 18 3.323 5.853 6.506 1.00 0.00 H new ATOM 0 HH12 ARG A 18 4.033 6.739 7.859 1.00 0.00 H new ATOM 0 HH21 ARG A 18 7.001 4.898 7.847 1.00 0.00 H new ATOM 0 HH22 ARG A 18 6.088 6.205 8.608 1.00 0.00 H new ATOM 321 N ILE A 19 2.984 1.720 0.388 1.00 0.00 N ATOM 322 CA ILE A 19 2.074 1.672 -0.765 1.00 0.00 C ATOM 323 C ILE A 19 0.848 2.399 -0.258 1.00 0.00 C ATOM 324 O ILE A 19 -0.067 1.827 0.298 1.00 0.00 O ATOM 325 CB ILE A 19 1.792 0.191 -1.093 1.00 0.00 C ATOM 326 CG1 ILE A 19 2.789 -0.772 -0.426 1.00 0.00 C ATOM 327 CG2 ILE A 19 1.927 -0.014 -2.597 1.00 0.00 C ATOM 328 CD1 ILE A 19 4.204 -0.413 -0.863 1.00 0.00 C ATOM 0 H ILE A 19 2.824 1.009 1.102 1.00 0.00 H new ATOM 0 HA ILE A 19 2.452 2.124 -1.682 1.00 0.00 H new ATOM 0 HB ILE A 19 0.790 -0.026 -0.722 1.00 0.00 H new ATOM 0 HG12 ILE A 19 2.704 -0.708 0.659 1.00 0.00 H new ATOM 0 HG13 ILE A 19 2.560 -1.801 -0.704 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.730 -1.058 -2.841 1.00 0.00 H new ATOM 0 HG22 ILE A 19 1.210 0.622 -3.117 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.938 0.247 -2.911 1.00 0.00 H new ATOM 0 HD11 ILE A 19 4.914 -1.093 -0.392 1.00 0.00 H new ATOM 0 HD12 ILE A 19 4.283 -0.499 -1.947 1.00 0.00 H new ATOM 0 HD13 ILE A 19 4.429 0.610 -0.563 1.00 0.00 H new ATOM 340 N VAL A 20 0.911 3.694 -0.349 1.00 0.00 N ATOM 341 CA VAL A 20 -0.140 4.552 0.224 1.00 0.00 C ATOM 342 C VAL A 20 -1.157 4.987 -0.841 1.00 0.00 C ATOM 343 O VAL A 20 -0.952 4.815 -2.025 1.00 0.00 O ATOM 344 CB VAL A 20 0.698 5.714 0.817 1.00 0.00 C ATOM 345 CG1 VAL A 20 0.612 6.989 -0.027 1.00 0.00 C ATOM 346 CG2 VAL A 20 0.236 6.008 2.240 1.00 0.00 C ATOM 0 H VAL A 20 1.668 4.200 -0.809 1.00 0.00 H new ATOM 0 HA VAL A 20 -0.772 4.072 0.971 1.00 0.00 H new ATOM 0 HB VAL A 20 1.740 5.394 0.817 1.00 0.00 H new ATOM 0 HG11 VAL A 20 1.217 7.771 0.432 1.00 0.00 H new ATOM 0 HG12 VAL A 20 0.984 6.786 -1.031 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.425 7.319 -0.084 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.827 6.825 2.653 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.817 6.291 2.230 1.00 0.00 H new ATOM 0 HG23 VAL A 20 0.366 5.118 2.856 1.00 0.00 H new ATOM 356 N VAL A 21 -2.274 5.502 -0.406 1.00 0.00 N ATOM 357 CA VAL A 21 -3.346 5.899 -1.358 1.00 0.00 C ATOM 358 C VAL A 21 -3.466 7.420 -1.433 1.00 0.00 C ATOM 359 O VAL A 21 -4.005 8.050 -0.549 1.00 0.00 O ATOM 360 CB VAL A 21 -4.654 5.298 -0.795 1.00 0.00 C ATOM 361 CG1 VAL A 21 -5.465 4.703 -1.939 1.00 0.00 C ATOM 362 CG2 VAL A 21 -4.381 4.189 0.225 1.00 0.00 C ATOM 0 H VAL A 21 -2.490 5.666 0.577 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.131 5.541 -2.365 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.198 6.101 -0.298 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.389 4.278 -1.547 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -5.703 5.484 -2.661 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.884 3.921 -2.428 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.327 3.794 0.595 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.815 3.388 -0.251 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.806 4.594 1.058 1.00 0.00 H new ATOM 372 N THR A 22 -2.985 8.015 -2.487 1.00 0.00 N ATOM 373 CA THR A 22 -3.093 9.497 -2.620 1.00 0.00 C ATOM 374 C THR A 22 -3.644 9.851 -4.005 1.00 0.00 C ATOM 375 O THR A 22 -4.167 9.007 -4.706 1.00 0.00 O ATOM 376 CB THR A 22 -1.667 10.037 -2.444 1.00 0.00 C ATOM 377 OG1 THR A 22 -1.641 11.418 -2.780 1.00 0.00 O ATOM 378 CG2 THR A 22 -0.696 9.274 -3.348 1.00 0.00 C ATOM 0 H THR A 22 -2.522 7.542 -3.263 1.00 0.00 H new ATOM 0 HA THR A 22 -3.769 9.929 -1.882 1.00 0.00 H new ATOM 0 HB THR A 22 -1.362 9.903 -1.406 1.00 0.00 H new ATOM 0 HG1 THR A 22 -2.229 11.914 -2.172 1.00 0.00 H new ATOM 0 HG21 THR A 22 0.312 9.667 -3.213 1.00 0.00 H new ATOM 0 HG22 THR A 22 -0.711 8.216 -3.087 1.00 0.00 H new ATOM 0 HG23 THR A 22 -0.996 9.395 -4.389 1.00 0.00 H new ATOM 386 N ASP A 23 -3.542 11.088 -4.405 1.00 0.00 N ATOM 387 CA ASP A 23 -4.072 11.480 -5.743 1.00 0.00 C ATOM 388 C ASP A 23 -2.977 12.141 -6.584 1.00 0.00 C ATOM 389 O ASP A 23 -1.996 12.638 -6.066 1.00 0.00 O ATOM 390 CB ASP A 23 -5.189 12.480 -5.444 1.00 0.00 C ATOM 391 CG ASP A 23 -6.527 11.744 -5.371 1.00 0.00 C ATOM 392 OD1 ASP A 23 -6.684 10.769 -6.088 1.00 0.00 O ATOM 393 OD2 ASP A 23 -7.373 12.167 -4.601 1.00 0.00 O ATOM 0 H ASP A 23 -3.116 11.843 -3.866 1.00 0.00 H new ATOM 0 HA ASP A 23 -4.427 10.620 -6.311 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -4.991 12.991 -4.502 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.224 13.245 -6.220 1.00 0.00 H new ATOM 398 N ALA A 24 -3.140 12.157 -7.879 1.00 0.00 N ATOM 399 CA ALA A 24 -2.112 12.793 -8.753 1.00 0.00 C ATOM 400 C ALA A 24 -2.326 14.308 -8.790 1.00 0.00 C ATOM 401 O ALA A 24 -1.416 15.079 -8.553 1.00 0.00 O ATOM 402 CB ALA A 24 -2.337 12.188 -10.139 1.00 0.00 C ATOM 0 H ALA A 24 -3.940 11.758 -8.370 1.00 0.00 H new ATOM 0 HA ALA A 24 -1.097 12.619 -8.395 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -1.616 12.608 -10.841 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.208 11.107 -10.089 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.348 12.417 -10.476 1.00 0.00 H new ATOM 408 N ARG A 25 -3.523 14.741 -9.082 1.00 0.00 N ATOM 409 CA ARG A 25 -3.796 16.202 -9.131 1.00 0.00 C ATOM 410 C ARG A 25 -3.566 16.827 -7.753 1.00 0.00 C ATOM 411 O ARG A 25 -4.148 16.414 -6.769 1.00 0.00 O ATOM 412 CB ARG A 25 -5.268 16.317 -9.535 1.00 0.00 C ATOM 413 CG ARG A 25 -5.398 17.273 -10.723 1.00 0.00 C ATOM 414 CD ARG A 25 -6.318 16.657 -11.778 1.00 0.00 C ATOM 415 NE ARG A 25 -6.741 17.802 -12.635 1.00 0.00 N ATOM 416 CZ ARG A 25 -7.643 18.660 -12.214 1.00 0.00 C ATOM 417 NH1 ARG A 25 -8.202 18.528 -11.038 1.00 0.00 N ATOM 418 NH2 ARG A 25 -7.987 19.659 -12.982 1.00 0.00 N ATOM 0 H ARG A 25 -4.323 14.143 -9.289 1.00 0.00 H new ATOM 0 HA ARG A 25 -3.141 16.723 -9.830 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -5.661 15.335 -9.800 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -5.859 16.681 -8.695 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -5.799 18.230 -10.390 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -4.416 17.471 -11.153 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -5.797 15.898 -12.362 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -7.177 16.170 -11.317 1.00 0.00 H new ATOM 0 HE ARG A 25 -6.325 17.921 -13.559 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -7.939 17.750 -10.433 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -8.900 19.203 -10.727 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -7.556 19.768 -13.900 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -8.686 20.330 -12.664 1.00 0.00 H new ATOM 432 N ARG A 26 -2.721 17.817 -7.671 1.00 0.00 N ATOM 433 CA ARG A 26 -2.456 18.460 -6.353 1.00 0.00 C ATOM 434 C ARG A 26 -1.547 19.678 -6.532 1.00 0.00 C ATOM 435 O ARG A 26 -0.456 19.580 -7.057 1.00 0.00 O ATOM 436 CB ARG A 26 -1.755 17.386 -5.520 1.00 0.00 C ATOM 437 CG ARG A 26 -0.479 16.935 -6.235 1.00 0.00 C ATOM 438 CD ARG A 26 0.744 17.468 -5.486 1.00 0.00 C ATOM 439 NE ARG A 26 1.914 16.838 -6.164 1.00 0.00 N ATOM 440 CZ ARG A 26 3.140 17.121 -5.790 1.00 0.00 C ATOM 441 NH1 ARG A 26 3.371 17.955 -4.808 1.00 0.00 N ATOM 442 NH2 ARG A 26 4.145 16.559 -6.407 1.00 0.00 N ATOM 0 H ARG A 26 -2.203 18.208 -8.458 1.00 0.00 H new ATOM 0 HA ARG A 26 -3.370 18.813 -5.876 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -1.512 17.778 -4.533 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -2.420 16.536 -5.370 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -0.443 15.847 -6.284 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -0.477 17.300 -7.262 1.00 0.00 H new ATOM 0 HD2 ARG A 26 0.796 18.556 -5.538 1.00 0.00 H new ATOM 0 HD3 ARG A 26 0.708 17.200 -4.430 1.00 0.00 H new ATOM 0 HE ARG A 26 1.759 16.179 -6.927 1.00 0.00 H new ATOM 0 HH11 ARG A 26 2.592 18.397 -4.320 1.00 0.00 H new ATOM 0 HH12 ARG A 26 4.330 18.163 -4.531 1.00 0.00 H new ATOM 0 HH21 ARG A 26 3.973 15.907 -7.172 1.00 0.00 H new ATOM 0 HH22 ARG A 26 5.101 16.773 -6.124 1.00 0.00 H new ATOM 456 N LYS A 27 -1.989 20.826 -6.098 1.00 0.00 N ATOM 457 CA LYS A 27 -1.151 22.049 -6.241 1.00 0.00 C ATOM 458 C LYS A 27 -0.391 22.322 -4.940 1.00 0.00 C ATOM 459 O LYS A 27 0.816 22.198 -4.878 1.00 0.00 O ATOM 460 CB LYS A 27 -2.141 23.177 -6.528 1.00 0.00 C ATOM 461 CG LYS A 27 -1.786 23.840 -7.859 1.00 0.00 C ATOM 462 CD LYS A 27 -3.044 24.455 -8.476 1.00 0.00 C ATOM 463 CE LYS A 27 -2.945 25.981 -8.414 1.00 0.00 C ATOM 464 NZ LYS A 27 -4.333 26.445 -8.138 1.00 0.00 N ATOM 0 H LYS A 27 -2.894 20.970 -5.651 1.00 0.00 H new ATOM 0 HA LYS A 27 -0.407 21.950 -7.031 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -3.157 22.783 -6.565 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -2.114 23.913 -5.724 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.031 24.610 -7.703 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -1.356 23.105 -8.540 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.153 24.128 -9.510 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.930 24.115 -7.939 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -2.259 26.301 -7.630 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -2.571 26.391 -9.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -4.347 27.483 -8.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -4.963 26.132 -8.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -4.660 26.044 -7.236 1.00 0.00 H new ATOM 478 N ARG A 28 -1.089 22.694 -3.902 1.00 0.00 N ATOM 479 CA ARG A 28 -0.407 22.974 -2.607 1.00 0.00 C ATOM 480 C ARG A 28 -0.508 21.757 -1.683 1.00 0.00 C ATOM 481 O ARG A 28 0.477 21.283 -1.153 1.00 0.00 O ATOM 482 CB ARG A 28 -1.164 24.161 -2.012 1.00 0.00 C ATOM 483 CG ARG A 28 -0.425 24.669 -0.773 1.00 0.00 C ATOM 484 CD ARG A 28 -1.335 24.545 0.452 1.00 0.00 C ATOM 485 NE ARG A 28 -1.918 25.906 0.639 1.00 0.00 N ATOM 486 CZ ARG A 28 -1.186 26.896 1.092 1.00 0.00 C ATOM 487 NH1 ARG A 28 0.077 26.717 1.392 1.00 0.00 N ATOM 488 NH2 ARG A 28 -1.721 28.075 1.248 1.00 0.00 N ATOM 0 H ARG A 28 -2.102 22.816 -3.895 1.00 0.00 H new ATOM 0 HA ARG A 28 0.654 23.188 -2.736 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -1.249 24.959 -2.750 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -2.178 23.863 -1.747 1.00 0.00 H new ATOM 0 HG2 ARG A 28 0.488 24.094 -0.620 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -0.128 25.708 -0.915 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -2.115 23.800 0.291 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -0.772 24.232 1.332 1.00 0.00 H new ATOM 0 HE ARG A 28 -2.899 26.069 0.412 1.00 0.00 H new ATOM 0 HH11 ARG A 28 0.504 25.798 1.274 1.00 0.00 H new ATOM 0 HH12 ARG A 28 0.633 27.497 1.743 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -2.704 28.224 1.018 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -1.157 28.849 1.600 1.00 0.00 H new ATOM 502 N ASP A 29 -1.695 21.249 -1.486 1.00 0.00 N ATOM 503 CA ASP A 29 -1.860 20.065 -0.596 1.00 0.00 C ATOM 504 C ASP A 29 -1.220 18.828 -1.231 1.00 0.00 C ATOM 505 O ASP A 29 -1.245 18.651 -2.434 1.00 0.00 O ATOM 506 CB ASP A 29 -3.372 19.876 -0.464 1.00 0.00 C ATOM 507 CG ASP A 29 -3.775 20.009 1.006 1.00 0.00 C ATOM 508 OD1 ASP A 29 -4.036 21.124 1.430 1.00 0.00 O ATOM 509 OD2 ASP A 29 -3.819 18.995 1.683 1.00 0.00 O ATOM 0 H ASP A 29 -2.556 21.603 -1.903 1.00 0.00 H new ATOM 0 HA ASP A 29 -1.379 20.209 0.372 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -3.896 20.619 -1.065 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -3.662 18.897 -0.845 1.00 0.00 H new ATOM 514 N GLY A 30 -0.648 17.970 -0.432 1.00 0.00 N ATOM 515 CA GLY A 30 -0.007 16.744 -0.986 1.00 0.00 C ATOM 516 C GLY A 30 0.040 15.665 0.097 1.00 0.00 C ATOM 517 O GLY A 30 1.047 15.470 0.748 1.00 0.00 O ATOM 0 H GLY A 30 -0.597 18.065 0.582 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -0.568 16.385 -1.849 1.00 0.00 H new ATOM 0 HA3 GLY A 30 1.001 16.972 -1.333 1.00 0.00 H new ATOM 521 N LYS A 31 -1.040 14.960 0.297 1.00 0.00 N ATOM 522 CA LYS A 31 -1.050 13.896 1.343 1.00 0.00 C ATOM 523 C LYS A 31 -1.984 12.754 0.932 1.00 0.00 C ATOM 524 O LYS A 31 -3.047 12.974 0.388 1.00 0.00 O ATOM 525 CB LYS A 31 -1.569 14.588 2.605 1.00 0.00 C ATOM 526 CG LYS A 31 -2.986 15.108 2.359 1.00 0.00 C ATOM 527 CD LYS A 31 -4.002 14.100 2.898 1.00 0.00 C ATOM 528 CE LYS A 31 -5.369 14.360 2.262 1.00 0.00 C ATOM 529 NZ LYS A 31 -6.056 13.038 2.268 1.00 0.00 N ATOM 0 H LYS A 31 -1.914 15.074 -0.217 1.00 0.00 H new ATOM 0 HA LYS A 31 -0.064 13.457 1.494 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -1.567 13.890 3.442 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -0.910 15.413 2.877 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -3.121 16.073 2.848 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -3.146 15.267 1.293 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -3.674 13.084 2.677 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -4.072 14.184 3.983 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -5.933 15.100 2.829 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -5.265 14.746 1.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -6.578 12.914 1.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -5.350 12.280 2.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -6.721 12.996 3.067 1.00 0.00 H new ATOM 543 N TYR A 32 -1.594 11.533 1.188 1.00 0.00 N ATOM 544 CA TYR A 32 -2.467 10.381 0.807 1.00 0.00 C ATOM 545 C TYR A 32 -3.695 10.318 1.714 1.00 0.00 C ATOM 546 O TYR A 32 -3.738 10.919 2.770 1.00 0.00 O ATOM 547 CB TYR A 32 -1.616 9.116 0.982 1.00 0.00 C ATOM 548 CG TYR A 32 -0.982 9.099 2.353 1.00 0.00 C ATOM 549 CD1 TYR A 32 -1.767 8.858 3.486 1.00 0.00 C ATOM 550 CD2 TYR A 32 0.394 9.324 2.491 1.00 0.00 C ATOM 551 CE1 TYR A 32 -1.177 8.841 4.755 1.00 0.00 C ATOM 552 CE2 TYR A 32 0.984 9.307 3.760 1.00 0.00 C ATOM 553 CZ TYR A 32 0.198 9.065 4.892 1.00 0.00 C ATOM 554 OH TYR A 32 0.778 9.048 6.144 1.00 0.00 O ATOM 0 H TYR A 32 -0.715 11.283 1.641 1.00 0.00 H new ATOM 0 HA TYR A 32 -2.824 10.482 -0.218 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -2.237 8.230 0.850 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -0.842 9.080 0.215 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -2.828 8.685 3.381 1.00 0.00 H new ATOM 0 HD2 TYR A 32 1.000 9.511 1.617 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -1.783 8.655 5.629 1.00 0.00 H new ATOM 0 HE2 TYR A 32 2.045 9.480 3.865 1.00 0.00 H new ATOM 0 HH TYR A 32 1.739 9.220 6.062 1.00 0.00 H new ATOM 564 N ILE A 33 -4.691 9.590 1.302 1.00 0.00 N ATOM 565 CA ILE A 33 -5.928 9.470 2.119 1.00 0.00 C ATOM 566 C ILE A 33 -5.693 8.531 3.306 1.00 0.00 C ATOM 567 O ILE A 33 -6.167 8.767 4.399 1.00 0.00 O ATOM 568 CB ILE A 33 -6.957 8.874 1.160 1.00 0.00 C ATOM 569 CG1 ILE A 33 -7.184 9.836 -0.009 1.00 0.00 C ATOM 570 CG2 ILE A 33 -8.275 8.650 1.897 1.00 0.00 C ATOM 571 CD1 ILE A 33 -7.149 9.059 -1.326 1.00 0.00 C ATOM 0 H ILE A 33 -4.702 9.068 0.426 1.00 0.00 H new ATOM 0 HA ILE A 33 -6.250 10.425 2.535 1.00 0.00 H new ATOM 0 HB ILE A 33 -6.588 7.921 0.781 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -8.144 10.340 0.102 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -6.416 10.610 -0.011 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -9.008 8.225 1.211 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -8.115 7.963 2.728 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -8.645 9.602 2.279 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -7.311 9.745 -2.158 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -6.178 8.576 -1.438 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -7.933 8.302 -1.323 1.00 0.00 H new ATOM 583 N GLU A 34 -4.969 7.465 3.096 1.00 0.00 N ATOM 584 CA GLU A 34 -4.711 6.509 4.210 1.00 0.00 C ATOM 585 C GLU A 34 -3.493 5.633 3.890 1.00 0.00 C ATOM 586 O GLU A 34 -2.988 5.638 2.785 1.00 0.00 O ATOM 587 CB GLU A 34 -5.978 5.659 4.294 1.00 0.00 C ATOM 588 CG GLU A 34 -6.404 5.517 5.757 1.00 0.00 C ATOM 589 CD GLU A 34 -6.120 4.092 6.233 1.00 0.00 C ATOM 590 OE1 GLU A 34 -4.989 3.655 6.093 1.00 0.00 O ATOM 591 OE2 GLU A 34 -7.039 3.461 6.731 1.00 0.00 O ATOM 0 H GLU A 34 -4.546 7.215 2.202 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.494 7.016 5.150 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -6.777 6.121 3.715 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.798 4.676 3.860 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -5.863 6.233 6.376 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -7.465 5.742 5.862 1.00 0.00 H new ATOM 598 N LYS A 35 -3.023 4.881 4.848 1.00 0.00 N ATOM 599 CA LYS A 35 -1.842 4.003 4.598 1.00 0.00 C ATOM 600 C LYS A 35 -2.283 2.539 4.527 1.00 0.00 C ATOM 601 O LYS A 35 -2.717 1.964 5.507 1.00 0.00 O ATOM 602 CB LYS A 35 -0.919 4.225 5.797 1.00 0.00 C ATOM 603 CG LYS A 35 -0.337 5.638 5.741 1.00 0.00 C ATOM 604 CD LYS A 35 -0.146 6.166 7.163 1.00 0.00 C ATOM 605 CE LYS A 35 -1.505 6.555 7.751 1.00 0.00 C ATOM 606 NZ LYS A 35 -1.184 7.258 9.024 1.00 0.00 N ATOM 0 H LYS A 35 -3.405 4.836 5.793 1.00 0.00 H new ATOM 0 HA LYS A 35 -1.347 4.235 3.655 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -1.472 4.085 6.726 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -0.115 3.489 5.791 1.00 0.00 H new ATOM 0 HG2 LYS A 35 0.617 5.630 5.213 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -1.004 6.296 5.184 1.00 0.00 H new ATOM 0 HD2 LYS A 35 0.326 5.405 7.784 1.00 0.00 H new ATOM 0 HD3 LYS A 35 0.519 7.029 7.155 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -2.059 7.202 7.071 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -2.124 5.676 7.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -2.066 7.557 9.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -0.662 6.615 9.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -0.599 8.094 8.821 1.00 0.00 H new ATOM 620 N ILE A 36 -2.186 1.933 3.376 1.00 0.00 N ATOM 621 CA ILE A 36 -2.614 0.505 3.250 1.00 0.00 C ATOM 622 C ILE A 36 -1.417 -0.421 3.114 1.00 0.00 C ATOM 623 O ILE A 36 -1.431 -1.539 3.592 1.00 0.00 O ATOM 624 CB ILE A 36 -3.459 0.456 1.980 1.00 0.00 C ATOM 625 CG1 ILE A 36 -2.588 0.822 0.765 1.00 0.00 C ATOM 626 CG2 ILE A 36 -4.612 1.445 2.108 1.00 0.00 C ATOM 627 CD1 ILE A 36 -3.435 0.833 -0.504 1.00 0.00 C ATOM 0 H ILE A 36 -1.831 2.359 2.520 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.162 0.175 4.132 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.857 -0.549 1.841 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.133 1.801 0.916 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.774 0.104 0.662 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.219 1.415 1.203 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.227 1.178 2.967 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.215 2.451 2.245 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.809 1.093 -1.357 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.869 -0.155 -0.660 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.233 1.568 -0.402 1.00 0.00 H new ATOM 639 N GLY A 37 -0.402 0.009 2.435 1.00 0.00 N ATOM 640 CA GLY A 37 0.762 -0.882 2.240 1.00 0.00 C ATOM 641 C GLY A 37 2.041 -0.296 2.824 1.00 0.00 C ATOM 642 O GLY A 37 2.131 0.872 3.147 1.00 0.00 O ATOM 0 H GLY A 37 -0.327 0.933 2.009 1.00 0.00 H new ATOM 0 HA2 GLY A 37 0.561 -1.847 2.706 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.902 -1.066 1.175 1.00 0.00 H new ATOM 646 N TYR A 38 3.048 -1.119 2.904 1.00 0.00 N ATOM 647 CA TYR A 38 4.377 -0.664 3.401 1.00 0.00 C ATOM 648 C TYR A 38 5.487 -1.338 2.579 1.00 0.00 C ATOM 649 O TYR A 38 5.536 -2.548 2.485 1.00 0.00 O ATOM 650 CB TYR A 38 4.443 -1.114 4.860 1.00 0.00 C ATOM 651 CG TYR A 38 5.750 -0.653 5.460 1.00 0.00 C ATOM 652 CD1 TYR A 38 6.904 -1.431 5.306 1.00 0.00 C ATOM 653 CD2 TYR A 38 5.808 0.553 6.169 1.00 0.00 C ATOM 654 CE1 TYR A 38 8.115 -1.004 5.861 1.00 0.00 C ATOM 655 CE2 TYR A 38 7.021 0.980 6.725 1.00 0.00 C ATOM 656 CZ TYR A 38 8.173 0.200 6.571 1.00 0.00 C ATOM 657 OH TYR A 38 9.368 0.621 7.117 1.00 0.00 O ATOM 0 H TYR A 38 3.006 -2.104 2.642 1.00 0.00 H new ATOM 0 HA TYR A 38 4.508 0.414 3.311 1.00 0.00 H new ATOM 0 HB2 TYR A 38 3.605 -0.699 5.420 1.00 0.00 H new ATOM 0 HB3 TYR A 38 4.362 -2.199 4.923 1.00 0.00 H new ATOM 0 HD1 TYR A 38 6.859 -2.361 4.759 1.00 0.00 H new ATOM 0 HD2 TYR A 38 4.918 1.154 6.287 1.00 0.00 H new ATOM 0 HE1 TYR A 38 9.005 -1.604 5.741 1.00 0.00 H new ATOM 0 HE2 TYR A 38 7.067 1.910 7.272 1.00 0.00 H new ATOM 0 HH TYR A 38 9.235 1.477 7.576 1.00 0.00 H new ATOM 667 N TYR A 39 6.389 -0.586 1.995 1.00 0.00 N ATOM 668 CA TYR A 39 7.482 -1.240 1.211 1.00 0.00 C ATOM 669 C TYR A 39 8.833 -0.953 1.877 1.00 0.00 C ATOM 670 O TYR A 39 9.042 0.103 2.440 1.00 0.00 O ATOM 671 CB TYR A 39 7.453 -0.635 -0.198 1.00 0.00 C ATOM 672 CG TYR A 39 8.457 -1.365 -1.069 1.00 0.00 C ATOM 673 CD1 TYR A 39 9.832 -1.204 -0.852 1.00 0.00 C ATOM 674 CD2 TYR A 39 8.010 -2.225 -2.080 1.00 0.00 C ATOM 675 CE1 TYR A 39 10.755 -1.901 -1.641 1.00 0.00 C ATOM 676 CE2 TYR A 39 8.936 -2.918 -2.872 1.00 0.00 C ATOM 677 CZ TYR A 39 10.306 -2.756 -2.652 1.00 0.00 C ATOM 678 OH TYR A 39 11.215 -3.442 -3.430 1.00 0.00 O ATOM 0 H TYR A 39 6.416 0.433 2.026 1.00 0.00 H new ATOM 0 HA TYR A 39 7.343 -2.320 1.169 1.00 0.00 H new ATOM 0 HB2 TYR A 39 6.453 -0.720 -0.624 1.00 0.00 H new ATOM 0 HB3 TYR A 39 7.693 0.428 -0.157 1.00 0.00 H new ATOM 0 HD1 TYR A 39 10.181 -0.541 -0.074 1.00 0.00 H new ATOM 0 HD2 TYR A 39 6.951 -2.354 -2.250 1.00 0.00 H new ATOM 0 HE1 TYR A 39 11.814 -1.778 -1.469 1.00 0.00 H new ATOM 0 HE2 TYR A 39 8.590 -3.578 -3.653 1.00 0.00 H new ATOM 0 HH TYR A 39 10.736 -3.993 -4.084 1.00 0.00 H new ATOM 688 N ASP A 40 9.758 -1.871 1.806 1.00 0.00 N ATOM 689 CA ASP A 40 11.096 -1.625 2.423 1.00 0.00 C ATOM 690 C ASP A 40 12.202 -2.101 1.469 1.00 0.00 C ATOM 691 O ASP A 40 12.457 -3.284 1.363 1.00 0.00 O ATOM 692 CB ASP A 40 11.100 -2.449 3.712 1.00 0.00 C ATOM 693 CG ASP A 40 12.383 -2.166 4.494 1.00 0.00 C ATOM 694 OD1 ASP A 40 12.669 -1.003 4.725 1.00 0.00 O ATOM 695 OD2 ASP A 40 13.059 -3.118 4.850 1.00 0.00 O ATOM 0 H ASP A 40 9.648 -2.777 1.350 1.00 0.00 H new ATOM 0 HA ASP A 40 11.276 -0.569 2.623 1.00 0.00 H new ATOM 0 HB2 ASP A 40 10.229 -2.199 4.318 1.00 0.00 H new ATOM 0 HB3 ASP A 40 11.031 -3.511 3.477 1.00 0.00 H new ATOM 700 N PRO A 41 12.819 -1.159 0.792 1.00 0.00 N ATOM 701 CA PRO A 41 13.892 -1.489 -0.169 1.00 0.00 C ATOM 702 C PRO A 41 15.263 -1.537 0.520 1.00 0.00 C ATOM 703 O PRO A 41 16.280 -1.286 -0.095 1.00 0.00 O ATOM 704 CB PRO A 41 13.842 -0.325 -1.155 1.00 0.00 C ATOM 705 CG PRO A 41 13.243 0.828 -0.398 1.00 0.00 C ATOM 706 CD PRO A 41 12.579 0.287 0.848 1.00 0.00 C ATOM 0 HA PRO A 41 13.755 -2.466 -0.633 1.00 0.00 H new ATOM 0 HB2 PRO A 41 14.839 -0.078 -1.519 1.00 0.00 H new ATOM 0 HB3 PRO A 41 13.238 -0.577 -2.027 1.00 0.00 H new ATOM 0 HG2 PRO A 41 14.015 1.550 -0.133 1.00 0.00 H new ATOM 0 HG3 PRO A 41 12.516 1.352 -1.018 1.00 0.00 H new ATOM 0 HD2 PRO A 41 13.007 0.726 1.749 1.00 0.00 H new ATOM 0 HD3 PRO A 41 11.513 0.512 0.860 1.00 0.00 H new ATOM 714 N ARG A 42 15.307 -1.851 1.786 1.00 0.00 N ATOM 715 CA ARG A 42 16.616 -1.901 2.490 1.00 0.00 C ATOM 716 C ARG A 42 17.223 -3.304 2.386 1.00 0.00 C ATOM 717 O ARG A 42 16.906 -4.060 1.489 1.00 0.00 O ATOM 718 CB ARG A 42 16.300 -1.558 3.946 1.00 0.00 C ATOM 719 CG ARG A 42 17.420 -0.688 4.522 1.00 0.00 C ATOM 720 CD ARG A 42 17.916 -1.300 5.833 1.00 0.00 C ATOM 721 NE ARG A 42 19.393 -1.084 5.830 1.00 0.00 N ATOM 722 CZ ARG A 42 20.115 -1.366 6.890 1.00 0.00 C ATOM 723 NH1 ARG A 42 19.559 -1.833 7.980 1.00 0.00 N ATOM 724 NH2 ARG A 42 21.407 -1.178 6.857 1.00 0.00 N ATOM 0 H ARG A 42 14.494 -2.074 2.361 1.00 0.00 H new ATOM 0 HA ARG A 42 17.341 -1.211 2.059 1.00 0.00 H new ATOM 0 HB2 ARG A 42 15.348 -1.031 4.008 1.00 0.00 H new ATOM 0 HB3 ARG A 42 16.197 -2.472 4.532 1.00 0.00 H new ATOM 0 HG2 ARG A 42 18.241 -0.614 3.809 1.00 0.00 H new ATOM 0 HG3 ARG A 42 17.056 0.325 4.695 1.00 0.00 H new ATOM 0 HD2 ARG A 42 17.449 -0.820 6.693 1.00 0.00 H new ATOM 0 HD3 ARG A 42 17.673 -2.361 5.889 1.00 0.00 H new ATOM 0 HE ARG A 42 19.847 -0.713 4.995 1.00 0.00 H new ATOM 0 HH11 ARG A 42 18.551 -1.983 8.014 1.00 0.00 H new ATOM 0 HH12 ARG A 42 20.134 -2.047 8.795 1.00 0.00 H new ATOM 0 HH21 ARG A 42 21.848 -0.815 6.012 1.00 0.00 H new ATOM 0 HH22 ARG A 42 21.975 -1.395 7.676 1.00 0.00 H new ATOM 738 N LYS A 43 18.092 -3.659 3.296 1.00 0.00 N ATOM 739 CA LYS A 43 18.711 -5.016 3.245 1.00 0.00 C ATOM 740 C LYS A 43 17.656 -6.079 3.557 1.00 0.00 C ATOM 741 O LYS A 43 17.672 -6.702 4.600 1.00 0.00 O ATOM 742 CB LYS A 43 19.801 -5.002 4.316 1.00 0.00 C ATOM 743 CG LYS A 43 20.537 -6.342 4.308 1.00 0.00 C ATOM 744 CD LYS A 43 21.888 -6.188 5.007 1.00 0.00 C ATOM 745 CE LYS A 43 21.681 -6.186 6.524 1.00 0.00 C ATOM 746 NZ LYS A 43 22.575 -5.110 7.032 1.00 0.00 N ATOM 0 H LYS A 43 18.399 -3.070 4.070 1.00 0.00 H new ATOM 0 HA LYS A 43 19.120 -5.250 2.262 1.00 0.00 H new ATOM 0 HB2 LYS A 43 20.502 -4.189 4.127 1.00 0.00 H new ATOM 0 HB3 LYS A 43 19.361 -4.822 5.297 1.00 0.00 H new ATOM 0 HG2 LYS A 43 19.939 -7.100 4.813 1.00 0.00 H new ATOM 0 HG3 LYS A 43 20.683 -6.682 3.283 1.00 0.00 H new ATOM 0 HD2 LYS A 43 22.552 -7.003 4.721 1.00 0.00 H new ATOM 0 HD3 LYS A 43 22.368 -5.261 4.694 1.00 0.00 H new ATOM 0 HE2 LYS A 43 20.640 -5.988 6.780 1.00 0.00 H new ATOM 0 HE3 LYS A 43 21.939 -7.152 6.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 22.489 -5.047 8.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 23.560 -5.329 6.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 22.302 -4.202 6.606 1.00 0.00 H new ATOM 760 N THR A 44 16.742 -6.283 2.655 1.00 0.00 N ATOM 761 CA THR A 44 15.676 -7.293 2.867 1.00 0.00 C ATOM 762 C THR A 44 15.244 -7.840 1.510 1.00 0.00 C ATOM 763 O THR A 44 14.459 -7.237 0.805 1.00 0.00 O ATOM 764 CB THR A 44 14.534 -6.530 3.538 1.00 0.00 C ATOM 765 OG1 THR A 44 14.057 -5.521 2.658 1.00 0.00 O ATOM 766 CG2 THR A 44 15.036 -5.886 4.832 1.00 0.00 C ATOM 0 H THR A 44 16.688 -5.785 1.767 1.00 0.00 H new ATOM 0 HA THR A 44 15.997 -8.137 3.477 1.00 0.00 H new ATOM 0 HB THR A 44 13.724 -7.222 3.771 1.00 0.00 H new ATOM 0 HG1 THR A 44 14.370 -5.706 1.748 1.00 0.00 H new ATOM 0 HG21 THR A 44 14.220 -5.343 5.308 1.00 0.00 H new ATOM 0 HG22 THR A 44 15.399 -6.661 5.507 1.00 0.00 H new ATOM 0 HG23 THR A 44 15.847 -5.195 4.604 1.00 0.00 H new ATOM 774 N THR A 45 15.768 -8.962 1.127 1.00 0.00 N ATOM 775 CA THR A 45 15.407 -9.535 -0.201 1.00 0.00 C ATOM 776 C THR A 45 14.169 -10.444 -0.113 1.00 0.00 C ATOM 777 O THR A 45 13.329 -10.402 -0.991 1.00 0.00 O ATOM 778 CB THR A 45 16.641 -10.330 -0.647 1.00 0.00 C ATOM 779 OG1 THR A 45 17.713 -9.432 -0.897 1.00 0.00 O ATOM 780 CG2 THR A 45 16.322 -11.110 -1.923 1.00 0.00 C ATOM 0 H THR A 45 16.432 -9.512 1.672 1.00 0.00 H new ATOM 0 HA THR A 45 15.146 -8.751 -0.912 1.00 0.00 H new ATOM 0 HB THR A 45 16.923 -11.030 0.140 1.00 0.00 H new ATOM 0 HG1 THR A 45 18.504 -9.937 -1.181 1.00 0.00 H new ATOM 0 HG21 THR A 45 17.202 -11.673 -2.235 1.00 0.00 H new ATOM 0 HG22 THR A 45 15.499 -11.799 -1.732 1.00 0.00 H new ATOM 0 HG23 THR A 45 16.037 -10.415 -2.713 1.00 0.00 H new ATOM 788 N PRO A 46 14.072 -11.239 0.922 1.00 0.00 N ATOM 789 CA PRO A 46 12.908 -12.134 1.058 1.00 0.00 C ATOM 790 C PRO A 46 11.745 -11.429 1.766 1.00 0.00 C ATOM 791 O PRO A 46 10.609 -11.518 1.348 1.00 0.00 O ATOM 792 CB PRO A 46 13.444 -13.276 1.913 1.00 0.00 C ATOM 793 CG PRO A 46 14.583 -12.692 2.701 1.00 0.00 C ATOM 794 CD PRO A 46 15.006 -11.398 2.039 1.00 0.00 C ATOM 0 HA PRO A 46 12.513 -12.462 0.097 1.00 0.00 H new ATOM 0 HB2 PRO A 46 12.670 -13.667 2.574 1.00 0.00 H new ATOM 0 HB3 PRO A 46 13.782 -14.105 1.292 1.00 0.00 H new ATOM 0 HG2 PRO A 46 14.277 -12.509 3.731 1.00 0.00 H new ATOM 0 HG3 PRO A 46 15.418 -13.391 2.736 1.00 0.00 H new ATOM 0 HD2 PRO A 46 14.944 -10.558 2.731 1.00 0.00 H new ATOM 0 HD3 PRO A 46 16.038 -11.448 1.691 1.00 0.00 H new ATOM 802 N ASP A 47 12.018 -10.741 2.838 1.00 0.00 N ATOM 803 CA ASP A 47 10.918 -10.045 3.574 1.00 0.00 C ATOM 804 C ASP A 47 11.054 -8.529 3.432 1.00 0.00 C ATOM 805 O ASP A 47 11.734 -7.884 4.202 1.00 0.00 O ATOM 806 CB ASP A 47 11.090 -10.463 5.034 1.00 0.00 C ATOM 807 CG ASP A 47 10.587 -11.897 5.216 1.00 0.00 C ATOM 808 OD1 ASP A 47 11.322 -12.809 4.873 1.00 0.00 O ATOM 809 OD2 ASP A 47 9.477 -12.058 5.695 1.00 0.00 O ATOM 0 H ASP A 47 12.950 -10.628 3.238 1.00 0.00 H new ATOM 0 HA ASP A 47 9.935 -10.310 3.186 1.00 0.00 H new ATOM 0 HB2 ASP A 47 12.139 -10.395 5.322 1.00 0.00 H new ATOM 0 HB3 ASP A 47 10.536 -9.786 5.685 1.00 0.00 H new ATOM 814 N TRP A 48 10.411 -7.956 2.453 1.00 0.00 N ATOM 815 CA TRP A 48 10.510 -6.478 2.262 1.00 0.00 C ATOM 816 C TRP A 48 9.156 -5.889 1.854 1.00 0.00 C ATOM 817 O TRP A 48 9.067 -4.745 1.454 1.00 0.00 O ATOM 818 CB TRP A 48 11.532 -6.285 1.134 1.00 0.00 C ATOM 819 CG TRP A 48 11.169 -7.150 -0.033 1.00 0.00 C ATOM 820 CD1 TRP A 48 11.700 -8.363 -0.294 1.00 0.00 C ATOM 821 CD2 TRP A 48 10.202 -6.896 -1.087 1.00 0.00 C ATOM 822 NE1 TRP A 48 11.126 -8.868 -1.446 1.00 0.00 N ATOM 823 CE2 TRP A 48 10.193 -8.001 -1.971 1.00 0.00 C ATOM 824 CE3 TRP A 48 9.342 -5.824 -1.358 1.00 0.00 C ATOM 825 CZ2 TRP A 48 9.357 -8.039 -3.086 1.00 0.00 C ATOM 826 CZ3 TRP A 48 8.499 -5.859 -2.476 1.00 0.00 C ATOM 827 CH2 TRP A 48 8.504 -6.964 -3.339 1.00 0.00 C ATOM 0 H TRP A 48 9.822 -8.444 1.778 1.00 0.00 H new ATOM 0 HA TRP A 48 10.809 -5.974 3.181 1.00 0.00 H new ATOM 0 HB2 TRP A 48 11.557 -5.239 0.829 1.00 0.00 H new ATOM 0 HB3 TRP A 48 12.531 -6.538 1.489 1.00 0.00 H new ATOM 0 HD1 TRP A 48 12.452 -8.859 0.301 1.00 0.00 H new ATOM 0 HE1 TRP A 48 11.364 -9.771 -1.856 1.00 0.00 H new ATOM 0 HE3 TRP A 48 9.329 -4.966 -0.702 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 9.369 -8.892 -3.748 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 7.839 -5.027 -2.675 1.00 0.00 H new ATOM 0 HH2 TRP A 48 7.849 -6.983 -4.198 1.00 0.00 H new ATOM 838 N LEU A 49 8.098 -6.651 1.944 1.00 0.00 N ATOM 839 CA LEU A 49 6.767 -6.109 1.548 1.00 0.00 C ATOM 840 C LEU A 49 5.697 -6.478 2.577 1.00 0.00 C ATOM 841 O LEU A 49 5.442 -7.636 2.841 1.00 0.00 O ATOM 842 CB LEU A 49 6.458 -6.766 0.204 1.00 0.00 C ATOM 843 CG LEU A 49 5.406 -5.940 -0.534 1.00 0.00 C ATOM 844 CD1 LEU A 49 5.943 -4.528 -0.782 1.00 0.00 C ATOM 845 CD2 LEU A 49 5.084 -6.608 -1.872 1.00 0.00 C ATOM 0 H LEU A 49 8.098 -7.617 2.272 1.00 0.00 H new ATOM 0 HA LEU A 49 6.776 -5.021 1.486 1.00 0.00 H new ATOM 0 HB2 LEU A 49 7.366 -6.838 -0.395 1.00 0.00 H new ATOM 0 HB3 LEU A 49 6.096 -7.782 0.358 1.00 0.00 H new ATOM 0 HG LEU A 49 4.501 -5.880 0.070 1.00 0.00 H new ATOM 0 HD11 LEU A 49 5.191 -3.940 -1.309 1.00 0.00 H new ATOM 0 HD12 LEU A 49 6.172 -4.053 0.172 1.00 0.00 H new ATOM 0 HD13 LEU A 49 6.848 -4.584 -1.386 1.00 0.00 H new ATOM 0 HD21 LEU A 49 4.333 -6.020 -2.401 1.00 0.00 H new ATOM 0 HD22 LEU A 49 5.989 -6.668 -2.476 1.00 0.00 H new ATOM 0 HD23 LEU A 49 4.699 -7.612 -1.694 1.00 0.00 H new ATOM 857 N LYS A 50 5.063 -5.493 3.151 1.00 0.00 N ATOM 858 CA LYS A 50 3.997 -5.763 4.155 1.00 0.00 C ATOM 859 C LYS A 50 2.774 -4.898 3.838 1.00 0.00 C ATOM 860 O LYS A 50 2.758 -3.713 4.110 1.00 0.00 O ATOM 861 CB LYS A 50 4.614 -5.359 5.496 1.00 0.00 C ATOM 862 CG LYS A 50 3.723 -5.844 6.638 1.00 0.00 C ATOM 863 CD LYS A 50 3.855 -4.894 7.832 1.00 0.00 C ATOM 864 CE LYS A 50 3.807 -5.698 9.133 1.00 0.00 C ATOM 865 NZ LYS A 50 3.004 -4.865 10.070 1.00 0.00 N ATOM 0 H LYS A 50 5.239 -4.506 2.966 1.00 0.00 H new ATOM 0 HA LYS A 50 3.668 -6.802 4.160 1.00 0.00 H new ATOM 0 HB2 LYS A 50 5.611 -5.788 5.593 1.00 0.00 H new ATOM 0 HB3 LYS A 50 4.727 -4.276 5.544 1.00 0.00 H new ATOM 0 HG2 LYS A 50 2.685 -5.888 6.309 1.00 0.00 H new ATOM 0 HG3 LYS A 50 4.008 -6.854 6.931 1.00 0.00 H new ATOM 0 HD2 LYS A 50 4.792 -4.341 7.768 1.00 0.00 H new ATOM 0 HD3 LYS A 50 3.050 -4.159 7.816 1.00 0.00 H new ATOM 0 HE2 LYS A 50 3.346 -6.673 8.978 1.00 0.00 H new ATOM 0 HE3 LYS A 50 4.809 -5.877 9.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 2.926 -5.350 10.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 3.471 -3.945 10.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 2.053 -4.717 9.675 1.00 0.00 H new ATOM 879 N VAL A 51 1.753 -5.466 3.252 1.00 0.00 N ATOM 880 CA VAL A 51 0.555 -4.647 2.915 1.00 0.00 C ATOM 881 C VAL A 51 -0.702 -5.218 3.570 1.00 0.00 C ATOM 882 O VAL A 51 -0.935 -6.411 3.565 1.00 0.00 O ATOM 883 CB VAL A 51 0.451 -4.694 1.366 1.00 0.00 C ATOM 884 CG1 VAL A 51 -1.008 -4.837 0.889 1.00 0.00 C ATOM 885 CG2 VAL A 51 0.995 -3.396 0.787 1.00 0.00 C ATOM 0 H VAL A 51 1.698 -6.452 2.995 1.00 0.00 H new ATOM 0 HA VAL A 51 0.647 -3.625 3.282 1.00 0.00 H new ATOM 0 HB VAL A 51 1.022 -5.559 1.030 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -1.033 -4.866 -0.200 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.432 -5.759 1.286 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -1.592 -3.987 1.243 1.00 0.00 H new ATOM 0 HG21 VAL A 51 0.924 -3.425 -0.300 1.00 0.00 H new ATOM 0 HG22 VAL A 51 0.413 -2.556 1.167 1.00 0.00 H new ATOM 0 HG23 VAL A 51 2.038 -3.276 1.079 1.00 0.00 H new ATOM 895 N ASP A 52 -1.547 -4.360 4.057 1.00 0.00 N ATOM 896 CA ASP A 52 -2.824 -4.839 4.623 1.00 0.00 C ATOM 897 C ASP A 52 -3.765 -5.036 3.442 1.00 0.00 C ATOM 898 O ASP A 52 -4.694 -4.278 3.245 1.00 0.00 O ATOM 899 CB ASP A 52 -3.315 -3.720 5.541 1.00 0.00 C ATOM 900 CG ASP A 52 -4.069 -4.329 6.724 1.00 0.00 C ATOM 901 OD1 ASP A 52 -3.413 -4.786 7.646 1.00 0.00 O ATOM 902 OD2 ASP A 52 -5.289 -4.333 6.687 1.00 0.00 O ATOM 0 H ASP A 52 -1.406 -3.350 4.086 1.00 0.00 H new ATOM 0 HA ASP A 52 -2.749 -5.771 5.184 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -2.471 -3.130 5.898 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -3.967 -3.042 4.990 1.00 0.00 H new ATOM 907 N VAL A 53 -3.477 -6.028 2.628 1.00 0.00 N ATOM 908 CA VAL A 53 -4.291 -6.308 1.394 1.00 0.00 C ATOM 909 C VAL A 53 -5.779 -5.990 1.606 1.00 0.00 C ATOM 910 O VAL A 53 -6.460 -5.577 0.690 1.00 0.00 O ATOM 911 CB VAL A 53 -4.047 -7.801 1.066 1.00 0.00 C ATOM 912 CG1 VAL A 53 -4.059 -8.650 2.340 1.00 0.00 C ATOM 913 CG2 VAL A 53 -5.125 -8.319 0.107 1.00 0.00 C ATOM 0 H VAL A 53 -2.696 -6.669 2.769 1.00 0.00 H new ATOM 0 HA VAL A 53 -3.990 -5.671 0.562 1.00 0.00 H new ATOM 0 HB VAL A 53 -3.068 -7.882 0.594 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -3.885 -9.695 2.083 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.274 -8.307 3.013 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -5.027 -8.554 2.832 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -4.940 -9.370 -0.115 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -6.106 -8.213 0.571 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -5.096 -7.743 -0.818 1.00 0.00 H new ATOM 923 N GLU A 54 -6.284 -6.143 2.799 1.00 0.00 N ATOM 924 CA GLU A 54 -7.711 -5.803 3.025 1.00 0.00 C ATOM 925 C GLU A 54 -7.914 -4.313 2.766 1.00 0.00 C ATOM 926 O GLU A 54 -8.752 -3.915 1.981 1.00 0.00 O ATOM 927 CB GLU A 54 -7.992 -6.148 4.488 1.00 0.00 C ATOM 928 CG GLU A 54 -9.482 -5.961 4.777 1.00 0.00 C ATOM 929 CD GLU A 54 -10.295 -6.930 3.918 1.00 0.00 C ATOM 930 OE1 GLU A 54 -10.065 -8.123 4.028 1.00 0.00 O ATOM 931 OE2 GLU A 54 -11.133 -6.463 3.164 1.00 0.00 O ATOM 0 H GLU A 54 -5.776 -6.484 3.615 1.00 0.00 H new ATOM 0 HA GLU A 54 -8.384 -6.348 2.363 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.697 -7.177 4.694 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -7.400 -5.509 5.144 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -9.683 -6.139 5.833 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -9.778 -4.934 4.564 1.00 0.00 H new ATOM 938 N ARG A 55 -7.132 -3.486 3.403 1.00 0.00 N ATOM 939 CA ARG A 55 -7.257 -2.026 3.176 1.00 0.00 C ATOM 940 C ARG A 55 -6.684 -1.686 1.801 1.00 0.00 C ATOM 941 O ARG A 55 -7.214 -0.869 1.079 1.00 0.00 O ATOM 942 CB ARG A 55 -6.434 -1.380 4.284 1.00 0.00 C ATOM 943 CG ARG A 55 -7.337 -1.069 5.480 1.00 0.00 C ATOM 944 CD ARG A 55 -7.183 0.405 5.861 1.00 0.00 C ATOM 945 NE ARG A 55 -5.715 0.601 6.038 1.00 0.00 N ATOM 946 CZ ARG A 55 -5.127 0.344 7.184 1.00 0.00 C ATOM 947 NH1 ARG A 55 -5.803 -0.131 8.201 1.00 0.00 N ATOM 948 NH2 ARG A 55 -3.844 0.547 7.307 1.00 0.00 N ATOM 0 H ARG A 55 -6.412 -3.762 4.071 1.00 0.00 H new ATOM 0 HA ARG A 55 -8.289 -1.677 3.196 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -5.628 -2.047 4.588 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -5.969 -0.464 3.919 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -8.376 -1.286 5.232 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -7.072 -1.704 6.325 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -7.578 1.058 5.083 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -7.726 0.636 6.777 1.00 0.00 H new ATOM 0 HE ARG A 55 -5.157 0.941 5.254 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -6.804 -0.307 8.111 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -5.329 -0.324 9.083 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -3.306 0.903 6.517 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -3.379 0.350 8.193 1.00 0.00 H new ATOM 962 N ALA A 56 -5.625 -2.340 1.411 1.00 0.00 N ATOM 963 CA ALA A 56 -5.065 -2.080 0.067 1.00 0.00 C ATOM 964 C ALA A 56 -6.108 -2.532 -0.962 1.00 0.00 C ATOM 965 O ALA A 56 -6.097 -2.113 -2.105 1.00 0.00 O ATOM 966 CB ALA A 56 -3.770 -2.904 0.002 1.00 0.00 C ATOM 0 H ALA A 56 -5.130 -3.038 1.965 1.00 0.00 H new ATOM 0 HA ALA A 56 -4.840 -1.033 -0.136 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.296 -2.762 -0.969 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.090 -2.576 0.789 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.003 -3.960 0.141 1.00 0.00 H new ATOM 972 N ARG A 57 -7.041 -3.366 -0.546 1.00 0.00 N ATOM 973 CA ARG A 57 -8.104 -3.821 -1.473 1.00 0.00 C ATOM 974 C ARG A 57 -9.291 -2.845 -1.421 1.00 0.00 C ATOM 975 O ARG A 57 -10.057 -2.731 -2.357 1.00 0.00 O ATOM 976 CB ARG A 57 -8.516 -5.207 -0.971 1.00 0.00 C ATOM 977 CG ARG A 57 -9.715 -5.711 -1.779 1.00 0.00 C ATOM 978 CD ARG A 57 -9.301 -6.932 -2.606 1.00 0.00 C ATOM 979 NE ARG A 57 -9.924 -8.098 -1.914 1.00 0.00 N ATOM 980 CZ ARG A 57 -9.946 -9.282 -2.480 1.00 0.00 C ATOM 981 NH1 ARG A 57 -9.435 -9.470 -3.670 1.00 0.00 N ATOM 982 NH2 ARG A 57 -10.489 -10.288 -1.849 1.00 0.00 N ATOM 0 H ARG A 57 -7.101 -3.744 0.399 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.764 -3.859 -2.508 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.682 -5.902 -1.067 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.772 -5.160 0.088 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -10.533 -5.974 -1.109 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -10.081 -4.922 -2.436 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -9.653 -6.850 -3.634 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -8.216 -7.031 -2.647 1.00 0.00 H new ATOM 0 HE ARG A 57 -10.338 -7.973 -0.990 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -9.011 -8.690 -4.172 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -9.460 -10.397 -4.095 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -10.893 -10.151 -0.922 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -10.510 -11.211 -2.283 1.00 0.00 H new ATOM 996 N TYR A 58 -9.426 -2.119 -0.338 1.00 0.00 N ATOM 997 CA TYR A 58 -10.530 -1.122 -0.219 1.00 0.00 C ATOM 998 C TYR A 58 -10.349 -0.124 -1.337 1.00 0.00 C ATOM 999 O TYR A 58 -11.265 0.265 -2.040 1.00 0.00 O ATOM 1000 CB TYR A 58 -10.278 -0.457 1.143 1.00 0.00 C ATOM 1001 CG TYR A 58 -10.874 0.940 1.217 1.00 0.00 C ATOM 1002 CD1 TYR A 58 -12.085 1.222 0.580 1.00 0.00 C ATOM 1003 CD2 TYR A 58 -10.208 1.950 1.933 1.00 0.00 C ATOM 1004 CE1 TYR A 58 -12.637 2.507 0.655 1.00 0.00 C ATOM 1005 CE2 TYR A 58 -10.762 3.234 2.010 1.00 0.00 C ATOM 1006 CZ TYR A 58 -11.975 3.511 1.370 1.00 0.00 C ATOM 1007 OH TYR A 58 -12.521 4.776 1.448 1.00 0.00 O ATOM 0 H TYR A 58 -8.812 -2.177 0.474 1.00 0.00 H new ATOM 0 HA TYR A 58 -11.535 -1.540 -0.284 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -10.706 -1.075 1.932 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -9.205 -0.403 1.326 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -12.597 0.447 0.028 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -9.270 1.736 2.423 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -13.573 2.723 0.161 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -10.253 4.010 2.563 1.00 0.00 H new ATOM 0 HH TYR A 58 -11.936 5.353 1.982 1.00 0.00 H new ATOM 1017 N TRP A 59 -9.141 0.285 -1.471 1.00 0.00 N ATOM 1018 CA TRP A 59 -8.780 1.270 -2.503 1.00 0.00 C ATOM 1019 C TRP A 59 -8.949 0.659 -3.875 1.00 0.00 C ATOM 1020 O TRP A 59 -9.729 1.122 -4.680 1.00 0.00 O ATOM 1021 CB TRP A 59 -7.337 1.604 -2.172 1.00 0.00 C ATOM 1022 CG TRP A 59 -7.396 2.327 -0.881 1.00 0.00 C ATOM 1023 CD1 TRP A 59 -6.895 1.911 0.300 1.00 0.00 C ATOM 1024 CD2 TRP A 59 -8.078 3.566 -0.630 1.00 0.00 C ATOM 1025 NE1 TRP A 59 -7.207 2.856 1.266 1.00 0.00 N ATOM 1026 CE2 TRP A 59 -7.941 3.902 0.731 1.00 0.00 C ATOM 1027 CE3 TRP A 59 -8.786 4.428 -1.469 1.00 0.00 C ATOM 1028 CZ2 TRP A 59 -8.499 5.069 1.249 1.00 0.00 C ATOM 1029 CZ3 TRP A 59 -9.352 5.601 -0.959 1.00 0.00 C ATOM 1030 CH2 TRP A 59 -9.210 5.923 0.397 1.00 0.00 C ATOM 0 H TRP A 59 -8.362 -0.030 -0.893 1.00 0.00 H new ATOM 0 HA TRP A 59 -9.402 2.165 -2.515 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -6.732 0.701 -2.091 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -6.887 2.221 -2.949 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -6.344 0.997 0.465 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -6.931 2.789 2.246 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -8.897 4.188 -2.516 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -8.384 5.312 2.295 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -9.901 6.262 -1.614 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -9.649 6.830 0.785 1.00 0.00 H new ATOM 1041 N LEU A 60 -8.267 -0.410 -4.135 1.00 0.00 N ATOM 1042 CA LEU A 60 -8.442 -1.081 -5.451 1.00 0.00 C ATOM 1043 C LEU A 60 -9.938 -1.344 -5.672 1.00 0.00 C ATOM 1044 O LEU A 60 -10.401 -1.476 -6.787 1.00 0.00 O ATOM 1045 CB LEU A 60 -7.671 -2.397 -5.336 1.00 0.00 C ATOM 1046 CG LEU A 60 -6.187 -2.145 -5.598 1.00 0.00 C ATOM 1047 CD1 LEU A 60 -5.350 -3.088 -4.732 1.00 0.00 C ATOM 1048 CD2 LEU A 60 -5.881 -2.404 -7.075 1.00 0.00 C ATOM 0 H LEU A 60 -7.599 -0.850 -3.502 1.00 0.00 H new ATOM 0 HA LEU A 60 -8.080 -0.485 -6.289 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -7.808 -2.825 -4.343 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -8.059 -3.122 -6.052 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.943 -1.112 -5.351 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.291 -2.909 -4.918 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.569 -2.907 -3.680 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -5.592 -4.121 -4.980 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.823 -2.225 -7.264 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.124 -3.438 -7.321 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -6.479 -1.734 -7.693 1.00 0.00 H new ATOM 1060 N SER A 61 -10.696 -1.407 -4.600 1.00 0.00 N ATOM 1061 CA SER A 61 -12.156 -1.645 -4.729 1.00 0.00 C ATOM 1062 C SER A 61 -12.886 -0.337 -5.071 1.00 0.00 C ATOM 1063 O SER A 61 -13.993 -0.356 -5.572 1.00 0.00 O ATOM 1064 CB SER A 61 -12.596 -2.169 -3.362 1.00 0.00 C ATOM 1065 OG SER A 61 -13.964 -1.847 -3.153 1.00 0.00 O ATOM 0 H SER A 61 -10.358 -1.303 -3.643 1.00 0.00 H new ATOM 0 HA SER A 61 -12.388 -2.349 -5.528 1.00 0.00 H new ATOM 0 HB2 SER A 61 -12.453 -3.248 -3.310 1.00 0.00 H new ATOM 0 HB3 SER A 61 -11.983 -1.728 -2.576 1.00 0.00 H new ATOM 0 HG SER A 61 -14.249 -2.183 -2.278 1.00 0.00 H new ATOM 1071 N VAL A 62 -12.285 0.800 -4.815 1.00 0.00 N ATOM 1072 CA VAL A 62 -12.967 2.079 -5.143 1.00 0.00 C ATOM 1073 C VAL A 62 -12.439 2.608 -6.476 1.00 0.00 C ATOM 1074 O VAL A 62 -12.362 3.798 -6.707 1.00 0.00 O ATOM 1075 CB VAL A 62 -12.642 3.055 -3.991 1.00 0.00 C ATOM 1076 CG1 VAL A 62 -12.858 2.380 -2.633 1.00 0.00 C ATOM 1077 CG2 VAL A 62 -11.188 3.543 -4.081 1.00 0.00 C ATOM 0 H VAL A 62 -11.359 0.892 -4.397 1.00 0.00 H new ATOM 0 HA VAL A 62 -14.045 1.954 -5.243 1.00 0.00 H new ATOM 0 HB VAL A 62 -13.314 3.908 -4.084 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -12.623 3.085 -1.835 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -13.898 2.065 -2.545 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -12.207 1.510 -2.552 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -10.983 4.229 -3.259 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -10.513 2.689 -4.018 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -11.035 4.057 -5.030 1.00 0.00 H new ATOM 1087 N GLY A 63 -12.075 1.717 -7.347 1.00 0.00 N ATOM 1088 CA GLY A 63 -11.543 2.137 -8.673 1.00 0.00 C ATOM 1089 C GLY A 63 -10.141 2.725 -8.496 1.00 0.00 C ATOM 1090 O GLY A 63 -9.691 3.523 -9.295 1.00 0.00 O ATOM 0 H GLY A 63 -12.122 0.709 -7.200 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -11.508 1.283 -9.350 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -12.205 2.876 -9.125 1.00 0.00 H new ATOM 1094 N ALA A 64 -9.445 2.344 -7.457 1.00 0.00 N ATOM 1095 CA ALA A 64 -8.080 2.890 -7.245 1.00 0.00 C ATOM 1096 C ALA A 64 -7.109 2.298 -8.267 1.00 0.00 C ATOM 1097 O ALA A 64 -7.206 1.144 -8.632 1.00 0.00 O ATOM 1098 CB ALA A 64 -7.694 2.464 -5.830 1.00 0.00 C ATOM 0 H ALA A 64 -9.764 1.681 -6.751 1.00 0.00 H new ATOM 0 HA ALA A 64 -8.047 3.973 -7.366 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -6.694 2.832 -5.599 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -8.407 2.880 -5.118 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -7.705 1.376 -5.762 1.00 0.00 H new ATOM 1104 N GLN A 65 -6.172 3.078 -8.731 1.00 0.00 N ATOM 1105 CA GLN A 65 -5.198 2.555 -9.730 1.00 0.00 C ATOM 1106 C GLN A 65 -3.774 2.590 -9.155 1.00 0.00 C ATOM 1107 O GLN A 65 -3.266 3.649 -8.841 1.00 0.00 O ATOM 1108 CB GLN A 65 -5.313 3.503 -10.924 1.00 0.00 C ATOM 1109 CG GLN A 65 -6.740 3.456 -11.479 1.00 0.00 C ATOM 1110 CD GLN A 65 -6.702 3.643 -12.996 1.00 0.00 C ATOM 1111 OE1 GLN A 65 -5.725 4.121 -13.536 1.00 0.00 O ATOM 1112 NE2 GLN A 65 -7.733 3.283 -13.712 1.00 0.00 N ATOM 0 H GLN A 65 -6.039 4.053 -8.462 1.00 0.00 H new ATOM 0 HA GLN A 65 -5.404 1.521 -10.005 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -5.063 4.519 -10.620 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.601 3.218 -11.698 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -7.207 2.503 -11.231 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -7.346 4.237 -11.020 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -8.554 2.881 -13.259 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -7.718 3.403 -14.725 1.00 0.00 H new ATOM 1121 N PRO A 66 -3.168 1.433 -9.036 1.00 0.00 N ATOM 1122 CA PRO A 66 -1.791 1.360 -8.501 1.00 0.00 C ATOM 1123 C PRO A 66 -0.783 1.688 -9.609 1.00 0.00 C ATOM 1124 O PRO A 66 -0.998 1.378 -10.764 1.00 0.00 O ATOM 1125 CB PRO A 66 -1.653 -0.094 -8.065 1.00 0.00 C ATOM 1126 CG PRO A 66 -2.625 -0.857 -8.912 1.00 0.00 C ATOM 1127 CD PRO A 66 -3.696 0.104 -9.371 1.00 0.00 C ATOM 0 HA PRO A 66 -1.605 2.063 -7.689 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -0.635 -0.454 -8.214 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -1.880 -0.210 -7.005 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -2.118 -1.301 -9.769 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -3.066 -1.676 -8.343 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -3.882 0.009 -10.441 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -4.643 -0.086 -8.865 1.00 0.00 H new ATOM 1135 N THR A 67 0.316 2.306 -9.272 1.00 0.00 N ATOM 1136 CA THR A 67 1.329 2.639 -10.316 1.00 0.00 C ATOM 1137 C THR A 67 2.008 1.359 -10.812 1.00 0.00 C ATOM 1138 O THR A 67 1.611 0.262 -10.465 1.00 0.00 O ATOM 1139 CB THR A 67 2.343 3.543 -9.611 1.00 0.00 C ATOM 1140 OG1 THR A 67 3.340 3.945 -10.540 1.00 0.00 O ATOM 1141 CG2 THR A 67 2.996 2.778 -8.458 1.00 0.00 C ATOM 0 H THR A 67 0.557 2.594 -8.324 1.00 0.00 H new ATOM 0 HA THR A 67 0.885 3.125 -11.185 1.00 0.00 H new ATOM 0 HB THR A 67 1.835 4.423 -9.218 1.00 0.00 H new ATOM 0 HG1 THR A 67 2.918 4.170 -11.396 1.00 0.00 H new ATOM 0 HG21 THR A 67 3.718 3.422 -7.956 1.00 0.00 H new ATOM 0 HG22 THR A 67 2.230 2.469 -7.747 1.00 0.00 H new ATOM 0 HG23 THR A 67 3.506 1.897 -8.848 1.00 0.00 H new ATOM 1149 N ASP A 68 3.038 1.485 -11.609 1.00 0.00 N ATOM 1150 CA ASP A 68 3.746 0.269 -12.116 1.00 0.00 C ATOM 1151 C ASP A 68 4.750 -0.230 -11.071 1.00 0.00 C ATOM 1152 O ASP A 68 5.908 -0.459 -11.362 1.00 0.00 O ATOM 1153 CB ASP A 68 4.469 0.728 -13.382 1.00 0.00 C ATOM 1154 CG ASP A 68 4.419 -0.384 -14.430 1.00 0.00 C ATOM 1155 OD1 ASP A 68 3.348 -0.618 -14.966 1.00 0.00 O ATOM 1156 OD2 ASP A 68 5.453 -0.981 -14.681 1.00 0.00 O ATOM 0 H ASP A 68 3.419 2.375 -11.931 1.00 0.00 H new ATOM 0 HA ASP A 68 3.061 -0.555 -12.317 1.00 0.00 H new ATOM 0 HB2 ASP A 68 4.002 1.632 -13.773 1.00 0.00 H new ATOM 0 HB3 ASP A 68 5.504 0.979 -13.152 1.00 0.00 H new ATOM 1161 N THR A 69 4.302 -0.396 -9.862 1.00 0.00 N ATOM 1162 CA THR A 69 5.186 -0.872 -8.767 1.00 0.00 C ATOM 1163 C THR A 69 4.305 -1.305 -7.607 1.00 0.00 C ATOM 1164 O THR A 69 4.287 -2.451 -7.210 1.00 0.00 O ATOM 1165 CB THR A 69 6.003 0.342 -8.367 1.00 0.00 C ATOM 1166 OG1 THR A 69 6.617 0.912 -9.514 1.00 0.00 O ATOM 1167 CG2 THR A 69 7.078 -0.048 -7.347 1.00 0.00 C ATOM 0 H THR A 69 3.338 -0.218 -9.580 1.00 0.00 H new ATOM 0 HA THR A 69 5.822 -1.708 -9.057 1.00 0.00 H new ATOM 0 HB THR A 69 5.336 1.074 -7.912 1.00 0.00 H new ATOM 0 HG1 THR A 69 6.918 0.197 -10.113 1.00 0.00 H new ATOM 0 HG21 THR A 69 7.655 0.835 -7.071 1.00 0.00 H new ATOM 0 HG22 THR A 69 6.603 -0.463 -6.458 1.00 0.00 H new ATOM 0 HG23 THR A 69 7.742 -0.793 -7.785 1.00 0.00 H new ATOM 1175 N ALA A 70 3.531 -0.390 -7.088 1.00 0.00 N ATOM 1176 CA ALA A 70 2.614 -0.740 -5.985 1.00 0.00 C ATOM 1177 C ALA A 70 1.582 -1.716 -6.525 1.00 0.00 C ATOM 1178 O ALA A 70 1.013 -2.503 -5.797 1.00 0.00 O ATOM 1179 CB ALA A 70 1.957 0.576 -5.569 1.00 0.00 C ATOM 0 H ALA A 70 3.500 0.585 -7.387 1.00 0.00 H new ATOM 0 HA ALA A 70 3.113 -1.206 -5.136 1.00 0.00 H new ATOM 0 HB1 ALA A 70 1.261 0.392 -4.751 1.00 0.00 H new ATOM 0 HB2 ALA A 70 2.724 1.278 -5.242 1.00 0.00 H new ATOM 0 HB3 ALA A 70 1.417 0.997 -6.417 1.00 0.00 H new ATOM 1185 N ARG A 71 1.361 -1.693 -7.814 1.00 0.00 N ATOM 1186 CA ARG A 71 0.399 -2.637 -8.398 1.00 0.00 C ATOM 1187 C ARG A 71 1.001 -4.025 -8.289 1.00 0.00 C ATOM 1188 O ARG A 71 0.359 -4.966 -7.866 1.00 0.00 O ATOM 1189 CB ARG A 71 0.249 -2.221 -9.863 1.00 0.00 C ATOM 1190 CG ARG A 71 -0.765 -3.137 -10.553 1.00 0.00 C ATOM 1191 CD ARG A 71 -1.307 -2.446 -11.807 1.00 0.00 C ATOM 1192 NE ARG A 71 -1.480 -3.539 -12.809 1.00 0.00 N ATOM 1193 CZ ARG A 71 -0.439 -4.137 -13.338 1.00 0.00 C ATOM 1194 NH1 ARG A 71 0.780 -3.807 -12.986 1.00 0.00 N ATOM 1195 NH2 ARG A 71 -0.619 -5.078 -14.224 1.00 0.00 N ATOM 0 H ARG A 71 1.810 -1.059 -8.475 1.00 0.00 H new ATOM 0 HA ARG A 71 -0.571 -2.636 -7.902 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -0.080 -1.184 -9.926 1.00 0.00 H new ATOM 0 HB3 ARG A 71 1.212 -2.281 -10.369 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -0.293 -4.083 -10.821 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -1.583 -3.371 -9.871 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -2.253 -1.945 -11.603 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -0.615 -1.686 -12.169 1.00 0.00 H new ATOM 0 HE ARG A 71 -2.419 -3.824 -13.086 1.00 0.00 H new ATOM 0 HH11 ARG A 71 0.930 -3.075 -12.291 1.00 0.00 H new ATOM 0 HH12 ARG A 71 1.579 -4.282 -13.407 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -1.564 -5.344 -14.501 1.00 0.00 H new ATOM 0 HH22 ARG A 71 0.185 -5.548 -14.640 1.00 0.00 H new ATOM 1209 N ARG A 72 2.251 -4.151 -8.647 1.00 0.00 N ATOM 1210 CA ARG A 72 2.899 -5.474 -8.551 1.00 0.00 C ATOM 1211 C ARG A 72 3.143 -5.843 -7.089 1.00 0.00 C ATOM 1212 O ARG A 72 3.524 -6.953 -6.774 1.00 0.00 O ATOM 1213 CB ARG A 72 4.219 -5.332 -9.301 1.00 0.00 C ATOM 1214 CG ARG A 72 4.242 -6.330 -10.452 1.00 0.00 C ATOM 1215 CD ARG A 72 5.461 -6.059 -11.338 1.00 0.00 C ATOM 1216 NE ARG A 72 5.425 -7.121 -12.386 1.00 0.00 N ATOM 1217 CZ ARG A 72 4.581 -7.050 -13.388 1.00 0.00 C ATOM 1218 NH1 ARG A 72 3.727 -6.061 -13.481 1.00 0.00 N ATOM 1219 NH2 ARG A 72 4.591 -7.978 -14.305 1.00 0.00 N ATOM 0 H ARG A 72 2.841 -3.397 -8.998 1.00 0.00 H new ATOM 0 HA ARG A 72 2.279 -6.264 -8.974 1.00 0.00 H new ATOM 0 HB2 ARG A 72 4.330 -4.316 -9.681 1.00 0.00 H new ATOM 0 HB3 ARG A 72 5.057 -5.514 -8.628 1.00 0.00 H new ATOM 0 HG2 ARG A 72 4.280 -7.348 -10.064 1.00 0.00 H new ATOM 0 HG3 ARG A 72 3.327 -6.246 -11.038 1.00 0.00 H new ATOM 0 HD2 ARG A 72 5.412 -5.065 -11.782 1.00 0.00 H new ATOM 0 HD3 ARG A 72 6.385 -6.105 -10.762 1.00 0.00 H new ATOM 0 HE ARG A 72 6.065 -7.913 -12.322 1.00 0.00 H new ATOM 0 HH11 ARG A 72 3.712 -5.332 -12.768 1.00 0.00 H new ATOM 0 HH12 ARG A 72 3.077 -6.020 -14.266 1.00 0.00 H new ATOM 0 HH21 ARG A 72 5.252 -8.752 -14.240 1.00 0.00 H new ATOM 0 HH22 ARG A 72 3.938 -7.929 -15.087 1.00 0.00 H new ATOM 1233 N LEU A 73 2.917 -4.929 -6.191 1.00 0.00 N ATOM 1234 CA LEU A 73 3.113 -5.235 -4.763 1.00 0.00 C ATOM 1235 C LEU A 73 1.753 -5.463 -4.125 1.00 0.00 C ATOM 1236 O LEU A 73 1.619 -6.206 -3.173 1.00 0.00 O ATOM 1237 CB LEU A 73 3.823 -4.015 -4.185 1.00 0.00 C ATOM 1238 CG LEU A 73 5.153 -3.832 -4.914 1.00 0.00 C ATOM 1239 CD1 LEU A 73 5.665 -2.405 -4.708 1.00 0.00 C ATOM 1240 CD2 LEU A 73 6.168 -4.826 -4.358 1.00 0.00 C ATOM 0 H LEU A 73 2.603 -3.980 -6.393 1.00 0.00 H new ATOM 0 HA LEU A 73 3.703 -6.134 -4.584 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.203 -3.126 -4.301 1.00 0.00 H new ATOM 0 HB3 LEU A 73 3.993 -4.147 -3.116 1.00 0.00 H new ATOM 0 HG LEU A 73 5.012 -4.008 -5.980 1.00 0.00 H new ATOM 0 HD11 LEU A 73 6.614 -2.280 -5.230 1.00 0.00 H new ATOM 0 HD12 LEU A 73 4.937 -1.697 -5.104 1.00 0.00 H new ATOM 0 HD13 LEU A 73 5.809 -2.220 -3.644 1.00 0.00 H new ATOM 0 HD21 LEU A 73 7.120 -4.701 -4.874 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.307 -4.646 -3.292 1.00 0.00 H new ATOM 0 HD23 LEU A 73 5.803 -5.842 -4.510 1.00 0.00 H new ATOM 1252 N LEU A 74 0.725 -4.878 -4.680 1.00 0.00 N ATOM 1253 CA LEU A 74 -0.623 -5.130 -4.136 1.00 0.00 C ATOM 1254 C LEU A 74 -0.992 -6.556 -4.527 1.00 0.00 C ATOM 1255 O LEU A 74 -1.690 -7.255 -3.821 1.00 0.00 O ATOM 1256 CB LEU A 74 -1.549 -4.114 -4.808 1.00 0.00 C ATOM 1257 CG LEU A 74 -1.369 -2.744 -4.156 1.00 0.00 C ATOM 1258 CD1 LEU A 74 -2.056 -1.675 -5.009 1.00 0.00 C ATOM 1259 CD2 LEU A 74 -1.992 -2.762 -2.759 1.00 0.00 C ATOM 0 H LEU A 74 0.768 -4.244 -5.478 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.691 -5.027 -3.053 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -1.326 -4.053 -5.873 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.586 -4.437 -4.718 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.306 -2.515 -4.079 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -1.927 -0.699 -4.542 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -1.612 -1.663 -6.004 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -3.119 -1.901 -5.089 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -1.865 -1.786 -2.291 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -3.055 -2.991 -2.837 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -1.501 -3.522 -2.151 1.00 0.00 H new ATOM 1271 N ARG A 75 -0.476 -7.006 -5.644 1.00 0.00 N ATOM 1272 CA ARG A 75 -0.741 -8.393 -6.082 1.00 0.00 C ATOM 1273 C ARG A 75 0.138 -9.328 -5.252 1.00 0.00 C ATOM 1274 O ARG A 75 -0.201 -10.466 -4.997 1.00 0.00 O ATOM 1275 CB ARG A 75 -0.366 -8.427 -7.576 1.00 0.00 C ATOM 1276 CG ARG A 75 1.153 -8.406 -7.751 1.00 0.00 C ATOM 1277 CD ARG A 75 1.688 -9.841 -7.747 1.00 0.00 C ATOM 1278 NE ARG A 75 2.365 -10.007 -9.066 1.00 0.00 N ATOM 1279 CZ ARG A 75 3.090 -11.070 -9.321 1.00 0.00 C ATOM 1280 NH1 ARG A 75 3.234 -12.019 -8.427 1.00 0.00 N ATOM 1281 NH2 ARG A 75 3.674 -11.187 -10.482 1.00 0.00 N ATOM 0 H ARG A 75 0.120 -6.462 -6.268 1.00 0.00 H new ATOM 0 HA ARG A 75 -1.776 -8.709 -5.947 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -0.778 -9.323 -8.040 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -0.808 -7.572 -8.087 1.00 0.00 H new ATOM 0 HG2 ARG A 75 1.415 -7.912 -8.686 1.00 0.00 H new ATOM 0 HG3 ARG A 75 1.614 -7.832 -6.947 1.00 0.00 H new ATOM 0 HD2 ARG A 75 2.384 -10.000 -6.924 1.00 0.00 H new ATOM 0 HD3 ARG A 75 0.880 -10.563 -7.625 1.00 0.00 H new ATOM 0 HE ARG A 75 2.263 -9.285 -9.779 1.00 0.00 H new ATOM 0 HH11 ARG A 75 2.779 -11.937 -7.518 1.00 0.00 H new ATOM 0 HH12 ARG A 75 3.801 -12.839 -8.641 1.00 0.00 H new ATOM 0 HH21 ARG A 75 3.565 -10.455 -11.184 1.00 0.00 H new ATOM 0 HH22 ARG A 75 4.239 -12.011 -10.688 1.00 0.00 H new ATOM 1295 N GLN A 76 1.267 -8.830 -4.816 1.00 0.00 N ATOM 1296 CA GLN A 76 2.178 -9.646 -3.990 1.00 0.00 C ATOM 1297 C GLN A 76 1.641 -9.724 -2.578 1.00 0.00 C ATOM 1298 O GLN A 76 1.773 -10.717 -1.891 1.00 0.00 O ATOM 1299 CB GLN A 76 3.494 -8.891 -4.030 1.00 0.00 C ATOM 1300 CG GLN A 76 4.629 -9.810 -3.589 1.00 0.00 C ATOM 1301 CD GLN A 76 4.704 -11.016 -4.526 1.00 0.00 C ATOM 1302 OE1 GLN A 76 4.548 -10.839 -5.811 1.00 0.00 O flip ATOM 1303 NE2 GLN A 76 4.903 -12.131 -4.087 1.00 0.00 N flip ATOM 0 H GLN A 76 1.591 -7.881 -5.004 1.00 0.00 H new ATOM 0 HA GLN A 76 2.286 -10.670 -4.346 1.00 0.00 H new ATOM 0 HB2 GLN A 76 3.682 -8.523 -5.039 1.00 0.00 H new ATOM 0 HB3 GLN A 76 3.444 -8.020 -3.377 1.00 0.00 H new ATOM 0 HG2 GLN A 76 5.575 -9.268 -3.600 1.00 0.00 H new ATOM 0 HG3 GLN A 76 4.464 -10.142 -2.564 1.00 0.00 H new ATOM 0 HE21 GLN A 76 5.025 -12.270 -3.084 1.00 0.00 H new ATOM 0 HE22 GLN A 76 4.948 -12.928 -4.722 1.00 0.00 H new ATOM 1312 N ALA A 77 1.014 -8.679 -2.158 1.00 0.00 N ATOM 1313 CA ALA A 77 0.427 -8.660 -0.799 1.00 0.00 C ATOM 1314 C ALA A 77 -0.736 -9.658 -0.718 1.00 0.00 C ATOM 1315 O ALA A 77 -1.254 -9.933 0.346 1.00 0.00 O ATOM 1316 CB ALA A 77 -0.078 -7.234 -0.599 1.00 0.00 C ATOM 0 H ALA A 77 0.879 -7.826 -2.700 1.00 0.00 H new ATOM 0 HA ALA A 77 1.149 -8.943 -0.033 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.528 -7.143 0.390 1.00 0.00 H new ATOM 0 HB2 ALA A 77 0.756 -6.537 -0.684 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.823 -7.002 -1.360 1.00 0.00 H new ATOM 1322 N GLY A 78 -1.152 -10.206 -1.835 1.00 0.00 N ATOM 1323 CA GLY A 78 -2.277 -11.182 -1.812 1.00 0.00 C ATOM 1324 C GLY A 78 -3.594 -10.474 -2.148 1.00 0.00 C ATOM 1325 O GLY A 78 -4.663 -10.984 -1.880 1.00 0.00 O ATOM 0 H GLY A 78 -0.759 -10.017 -2.757 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -2.091 -11.981 -2.530 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -2.345 -11.647 -0.829 1.00 0.00 H new ATOM 1329 N VAL A 79 -3.535 -9.303 -2.732 1.00 0.00 N ATOM 1330 CA VAL A 79 -4.794 -8.584 -3.074 1.00 0.00 C ATOM 1331 C VAL A 79 -5.407 -9.173 -4.344 1.00 0.00 C ATOM 1332 O VAL A 79 -6.462 -9.774 -4.316 1.00 0.00 O ATOM 1333 CB VAL A 79 -4.400 -7.126 -3.296 1.00 0.00 C ATOM 1334 CG1 VAL A 79 -5.664 -6.283 -3.473 1.00 0.00 C ATOM 1335 CG2 VAL A 79 -3.611 -6.602 -2.090 1.00 0.00 C ATOM 0 H VAL A 79 -2.674 -8.819 -2.984 1.00 0.00 H new ATOM 0 HA VAL A 79 -5.538 -8.676 -2.283 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.777 -7.058 -4.188 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -5.387 -5.241 -3.632 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -6.225 -6.645 -4.335 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -6.282 -6.362 -2.579 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -3.335 -5.561 -2.260 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -4.227 -6.673 -1.194 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -2.709 -7.199 -1.958 1.00 0.00 H new ATOM 1345 N PHE A 80 -4.751 -9.008 -5.460 1.00 0.00 N ATOM 1346 CA PHE A 80 -5.296 -9.563 -6.733 1.00 0.00 C ATOM 1347 C PHE A 80 -4.181 -10.249 -7.526 1.00 0.00 C ATOM 1348 O PHE A 80 -3.089 -10.451 -7.034 1.00 0.00 O ATOM 1349 CB PHE A 80 -5.832 -8.353 -7.498 1.00 0.00 C ATOM 1350 CG PHE A 80 -4.713 -7.365 -7.722 1.00 0.00 C ATOM 1351 CD1 PHE A 80 -3.824 -7.542 -8.789 1.00 0.00 C ATOM 1352 CD2 PHE A 80 -4.561 -6.274 -6.860 1.00 0.00 C ATOM 1353 CE1 PHE A 80 -2.783 -6.627 -8.990 1.00 0.00 C ATOM 1354 CE2 PHE A 80 -3.522 -5.360 -7.063 1.00 0.00 C ATOM 1355 CZ PHE A 80 -2.633 -5.537 -8.126 1.00 0.00 C ATOM 0 H PHE A 80 -3.863 -8.514 -5.546 1.00 0.00 H new ATOM 0 HA PHE A 80 -6.071 -10.309 -6.561 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -6.249 -8.669 -8.454 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -6.640 -7.883 -6.937 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -3.941 -8.383 -9.456 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -5.247 -6.137 -6.037 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -2.096 -6.763 -9.812 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -3.407 -4.517 -6.398 1.00 0.00 H new ATOM 0 HZ PHE A 80 -1.830 -4.832 -8.281 1.00 0.00 H new ATOM 1365 N ARG A 81 -4.450 -10.608 -8.750 1.00 0.00 N ATOM 1366 CA ARG A 81 -3.407 -11.283 -9.577 1.00 0.00 C ATOM 1367 C ARG A 81 -3.929 -11.519 -10.997 1.00 0.00 C ATOM 1368 O ARG A 81 -5.078 -11.862 -11.196 1.00 0.00 O ATOM 1369 CB ARG A 81 -3.133 -12.616 -8.873 1.00 0.00 C ATOM 1370 CG ARG A 81 -4.451 -13.360 -8.640 1.00 0.00 C ATOM 1371 CD ARG A 81 -4.693 -13.508 -7.136 1.00 0.00 C ATOM 1372 NE ARG A 81 -5.828 -14.468 -7.020 1.00 0.00 N ATOM 1373 CZ ARG A 81 -5.645 -15.753 -7.218 1.00 0.00 C ATOM 1374 NH1 ARG A 81 -4.466 -16.224 -7.538 1.00 0.00 N ATOM 1375 NH2 ARG A 81 -6.655 -16.572 -7.099 1.00 0.00 N ATOM 0 H ARG A 81 -5.346 -10.464 -9.215 1.00 0.00 H new ATOM 0 HA ARG A 81 -2.502 -10.682 -9.668 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -2.462 -13.226 -9.478 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -2.632 -12.439 -7.922 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -5.275 -12.815 -9.100 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -4.415 -14.342 -9.112 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -3.805 -13.884 -6.629 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -4.939 -12.549 -6.680 1.00 0.00 H new ATOM 0 HE ARG A 81 -6.758 -14.122 -6.784 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -3.673 -15.590 -7.637 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -4.340 -17.225 -7.688 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -7.577 -16.212 -6.854 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -6.522 -17.572 -7.251 1.00 0.00 H new ATOM 1389 N GLN A 82 -3.096 -11.335 -11.985 1.00 0.00 N ATOM 1390 CA GLN A 82 -3.544 -11.546 -13.392 1.00 0.00 C ATOM 1391 C GLN A 82 -4.203 -12.919 -13.541 1.00 0.00 C ATOM 1392 O GLN A 82 -3.709 -13.913 -13.047 1.00 0.00 O ATOM 1393 CB GLN A 82 -2.266 -11.475 -14.230 1.00 0.00 C ATOM 1394 CG GLN A 82 -2.367 -10.313 -15.221 1.00 0.00 C ATOM 1395 CD GLN A 82 -1.498 -10.610 -16.445 1.00 0.00 C ATOM 1396 OE1 GLN A 82 -1.351 -11.751 -16.839 1.00 0.00 O ATOM 1397 NE2 GLN A 82 -0.909 -9.624 -17.066 1.00 0.00 N ATOM 0 H GLN A 82 -2.123 -11.047 -11.879 1.00 0.00 H new ATOM 0 HA GLN A 82 -4.280 -10.805 -13.703 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -1.401 -11.339 -13.581 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -2.118 -12.412 -14.767 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -3.404 -10.169 -15.524 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -2.042 -9.387 -14.747 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -1.032 -8.667 -16.736 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -0.326 -9.811 -17.882 1.00 0.00 H new ATOM 1406 N GLU A 83 -5.317 -12.983 -14.216 1.00 0.00 N ATOM 1407 CA GLU A 83 -6.006 -14.292 -14.395 1.00 0.00 C ATOM 1408 C GLU A 83 -5.824 -14.791 -15.830 1.00 0.00 C ATOM 1409 O GLU A 83 -6.781 -15.026 -16.542 1.00 0.00 O ATOM 1410 CB GLU A 83 -7.480 -14.009 -14.109 1.00 0.00 C ATOM 1411 CG GLU A 83 -8.241 -15.331 -13.994 1.00 0.00 C ATOM 1412 CD GLU A 83 -9.577 -15.095 -13.287 1.00 0.00 C ATOM 1413 OE1 GLU A 83 -10.000 -13.952 -13.226 1.00 0.00 O ATOM 1414 OE2 GLU A 83 -10.156 -16.062 -12.821 1.00 0.00 O ATOM 0 H GLU A 83 -5.780 -12.185 -14.652 1.00 0.00 H new ATOM 0 HA GLU A 83 -5.605 -15.063 -13.736 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -7.579 -13.439 -13.185 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -7.906 -13.400 -14.907 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -8.412 -15.751 -14.985 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -7.647 -16.057 -13.438 1.00 0.00 H new ATOM 1421 N ALA A 84 -4.604 -14.956 -16.262 1.00 0.00 N ATOM 1422 CA ALA A 84 -4.363 -15.440 -17.651 1.00 0.00 C ATOM 1423 C ALA A 84 -3.350 -16.589 -17.641 1.00 0.00 C ATOM 1424 O ALA A 84 -2.811 -16.946 -16.613 1.00 0.00 O ATOM 1425 CB ALA A 84 -3.797 -14.232 -18.398 1.00 0.00 C ATOM 0 H ALA A 84 -3.763 -14.777 -15.713 1.00 0.00 H new ATOM 0 HA ALA A 84 -5.270 -15.820 -18.120 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -3.592 -14.507 -19.433 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -4.522 -13.418 -18.376 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -2.873 -13.908 -17.919 1.00 0.00 H new ATOM 1431 N ARG A 85 -3.089 -17.172 -18.779 1.00 0.00 N ATOM 1432 CA ARG A 85 -2.112 -18.298 -18.833 1.00 0.00 C ATOM 1433 C ARG A 85 -0.786 -17.880 -18.190 1.00 0.00 C ATOM 1434 O ARG A 85 -0.038 -18.701 -17.696 1.00 0.00 O ATOM 1435 CB ARG A 85 -1.922 -18.584 -20.322 1.00 0.00 C ATOM 1436 CG ARG A 85 -1.410 -17.324 -21.022 1.00 0.00 C ATOM 1437 CD ARG A 85 -1.778 -17.381 -22.506 1.00 0.00 C ATOM 1438 NE ARG A 85 -3.150 -16.802 -22.583 1.00 0.00 N ATOM 1439 CZ ARG A 85 -3.345 -15.513 -22.425 1.00 0.00 C ATOM 1440 NH1 ARG A 85 -2.344 -14.702 -22.189 1.00 0.00 N ATOM 1441 NH2 ARG A 85 -4.558 -15.034 -22.501 1.00 0.00 N ATOM 0 H ARG A 85 -3.509 -16.918 -19.673 1.00 0.00 H new ATOM 0 HA ARG A 85 -2.462 -19.177 -18.291 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -1.215 -19.402 -20.459 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -2.866 -18.901 -20.766 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -1.845 -16.437 -20.562 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -0.329 -17.245 -20.907 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -1.073 -16.809 -23.110 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -1.760 -18.405 -22.879 1.00 0.00 H new ATOM 0 HE ARG A 85 -3.946 -17.414 -22.760 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -1.394 -15.069 -22.125 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -2.514 -13.703 -22.069 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -5.343 -15.660 -22.682 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -4.720 -14.034 -22.380 1.00 0.00 H new ATOM 1455 N GLU A 86 -0.490 -16.610 -18.195 1.00 0.00 N ATOM 1456 CA GLU A 86 0.787 -16.139 -17.586 1.00 0.00 C ATOM 1457 C GLU A 86 0.895 -16.624 -16.137 1.00 0.00 C ATOM 1458 O GLU A 86 -0.095 -16.832 -15.466 1.00 0.00 O ATOM 1459 CB GLU A 86 0.711 -14.612 -17.633 1.00 0.00 C ATOM 1460 CG GLU A 86 1.959 -14.019 -16.976 1.00 0.00 C ATOM 1461 CD GLU A 86 3.205 -14.485 -17.732 1.00 0.00 C ATOM 1462 OE1 GLU A 86 3.187 -14.437 -18.951 1.00 0.00 O ATOM 1463 OE2 GLU A 86 4.157 -14.883 -17.079 1.00 0.00 O ATOM 0 H GLU A 86 -1.077 -15.877 -18.594 1.00 0.00 H new ATOM 0 HA GLU A 86 1.660 -16.521 -18.115 1.00 0.00 H new ATOM 0 HB2 GLU A 86 0.635 -14.273 -18.666 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -0.184 -14.266 -17.117 1.00 0.00 H new ATOM 0 HG2 GLU A 86 1.903 -12.930 -16.982 1.00 0.00 H new ATOM 0 HG3 GLU A 86 2.016 -14.330 -15.933 1.00 0.00 H new ATOM 1470 N GLY A 87 2.093 -16.803 -15.652 1.00 0.00 N ATOM 1471 CA GLY A 87 2.266 -17.272 -14.248 1.00 0.00 C ATOM 1472 C GLY A 87 3.282 -18.414 -14.214 1.00 0.00 C ATOM 1473 O GLY A 87 4.101 -18.554 -15.101 1.00 0.00 O ATOM 0 H GLY A 87 2.959 -16.645 -16.167 1.00 0.00 H new ATOM 0 HA2 GLY A 87 2.606 -16.450 -13.618 1.00 0.00 H new ATOM 0 HA3 GLY A 87 1.311 -17.609 -13.845 1.00 0.00 H new ATOM 1477 N ALA A 88 3.240 -19.232 -13.198 1.00 0.00 N ATOM 1478 CA ALA A 88 4.208 -20.363 -13.113 1.00 0.00 C ATOM 1479 C ALA A 88 3.959 -21.360 -14.247 1.00 0.00 C ATOM 1480 O ALA A 88 4.928 -21.901 -14.756 1.00 0.00 O ATOM 1481 CB ALA A 88 3.937 -21.017 -11.757 1.00 0.00 C ATOM 1482 OXT ALA A 88 2.807 -21.566 -14.587 1.00 0.00 O ATOM 0 H ALA A 88 2.579 -19.167 -12.424 1.00 0.00 H new ATOM 0 HA ALA A 88 5.241 -20.028 -13.205 1.00 0.00 H new ATOM 0 HB1 ALA A 88 4.612 -21.861 -11.619 1.00 0.00 H new ATOM 0 HB2 ALA A 88 4.100 -20.289 -10.963 1.00 0.00 H new ATOM 0 HB3 ALA A 88 2.906 -21.368 -11.722 1.00 0.00 H new TER 1488 ALA A 88