USER MOD reduce.3.24.130724 H: found=0, std=0, add=371, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 369 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 12 CYS SG : rot -100:sc= 1.85 USER MOD Set 1.2: A 13 HIS : no HD1:sc= -3.33 K(o=-4.2,f=-5.2!) USER MOD Set 1.3: A 30 CYS SG : rot -86:sc= -2.7 USER MOD Single : A 1 ASP N :NH3+ -113:sc= 0.193 (180deg=0) USER MOD Single : A 4 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 TYR OH : rot 180:sc= -1.19 USER MOD Single : A 11 THR OG1 : rot 92:sc= 1.25 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= -0.493 K(o=-0.49,f=-4.8!) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 8:sc= 0.418 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=-0.25) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 1.339 0.045 0.011 1.00 10.00 N ATOM 2 CA ASP A 1 2.112 0.028 -1.249 1.00 10.00 C ATOM 3 C ASP A 1 2.242 -1.407 -1.703 1.00 10.00 C ATOM 4 O ASP A 1 1.729 -2.309 -1.045 1.00 10.00 O ATOM 5 CB ASP A 1 3.516 0.617 -1.056 1.00 10.00 C ATOM 6 CG ASP A 1 3.451 2.114 -0.825 1.00 10.00 C ATOM 7 OD1 ASP A 1 2.471 2.696 -1.336 1.00 10.00 O ATOM 8 OD2 ASP A 1 4.279 2.587 -0.027 1.00 10.00 O ATOM 0 H1 ASP A 1 0.423 0.510 -0.150 1.00 10.00 H new ATOM 0 H2 ASP A 1 1.180 -0.931 0.334 1.00 10.00 H new ATOM 0 H3 ASP A 1 1.870 0.568 0.737 1.00 10.00 H new ATOM 0 HA ASP A 1 1.590 0.634 -1.989 1.00 10.00 H new ATOM 0 HB2 ASP A 1 4.003 0.136 -0.208 1.00 10.00 H new ATOM 0 HB3 ASP A 1 4.126 0.407 -1.935 1.00 10.00 H new ATOM 15 N GLU A 2 2.938 -1.632 -2.801 1.00 10.00 N ATOM 16 CA GLU A 2 3.175 -2.940 -3.398 1.00 10.00 C ATOM 17 C GLU A 2 4.678 -3.156 -3.493 1.00 10.00 C ATOM 18 O GLU A 2 5.361 -2.374 -4.122 1.00 10.00 O ATOM 19 CB GLU A 2 2.514 -3.016 -4.787 1.00 10.00 C ATOM 20 CG GLU A 2 2.302 -1.664 -5.506 1.00 10.00 C ATOM 21 CD GLU A 2 3.613 -0.950 -5.848 1.00 10.00 C ATOM 22 OE1 GLU A 2 4.385 -1.532 -6.644 1.00 10.00 O ATOM 23 OE2 GLU A 2 3.800 0.153 -5.285 1.00 10.00 O ATOM 0 H GLU A 2 3.375 -0.876 -3.328 1.00 10.00 H new ATOM 0 HA GLU A 2 2.735 -3.724 -2.782 1.00 10.00 H new ATOM 0 HB2 GLU A 2 3.126 -3.653 -5.425 1.00 10.00 H new ATOM 0 HB3 GLU A 2 1.546 -3.506 -4.682 1.00 10.00 H new ATOM 0 HG2 GLU A 2 1.738 -1.832 -6.423 1.00 10.00 H new ATOM 0 HG3 GLU A 2 1.696 -1.015 -4.874 1.00 10.00 H new ATOM 30 N ALA A 3 5.202 -4.191 -2.831 1.00 10.00 N ATOM 31 CA ALA A 3 6.646 -4.514 -2.863 1.00 10.00 C ATOM 32 C ALA A 3 6.983 -5.491 -1.754 1.00 10.00 C ATOM 33 O ALA A 3 6.707 -6.677 -1.878 1.00 10.00 O ATOM 34 CB ALA A 3 7.542 -3.257 -2.759 1.00 10.00 C ATOM 0 H ALA A 3 4.649 -4.829 -2.259 1.00 10.00 H new ATOM 0 HA ALA A 3 6.852 -4.970 -3.831 1.00 10.00 H new ATOM 0 HB1 ALA A 3 8.590 -3.554 -2.788 1.00 10.00 H new ATOM 0 HB2 ALA A 3 7.331 -2.590 -3.595 1.00 10.00 H new ATOM 0 HB3 ALA A 3 7.337 -2.740 -1.821 1.00 10.00 H new ATOM 40 N GLN A 4 7.467 -4.993 -0.616 1.00 10.00 N ATOM 41 CA GLN A 4 7.791 -5.828 0.540 1.00 10.00 C ATOM 42 C GLN A 4 6.640 -6.783 0.902 1.00 10.00 C ATOM 43 O GLN A 4 6.827 -7.878 1.416 1.00 10.00 O ATOM 44 CB GLN A 4 8.151 -4.911 1.716 1.00 10.00 C ATOM 45 CG GLN A 4 6.895 -4.421 2.461 1.00 10.00 C ATOM 46 CD GLN A 4 7.151 -3.290 3.434 1.00 10.00 C ATOM 47 OE1 GLN A 4 8.048 -2.482 3.299 1.00 10.00 O ATOM 48 NE2 GLN A 4 6.320 -3.186 4.444 1.00 10.00 N ATOM 0 H GLN A 4 7.645 -3.999 -0.470 1.00 10.00 H new ATOM 0 HA GLN A 4 8.642 -6.463 0.295 1.00 10.00 H new ATOM 0 HB2 GLN A 4 8.800 -5.446 2.409 1.00 10.00 H new ATOM 0 HB3 GLN A 4 8.715 -4.053 1.349 1.00 10.00 H new ATOM 0 HG2 GLN A 4 6.156 -4.095 1.729 1.00 10.00 H new ATOM 0 HG3 GLN A 4 6.458 -5.259 3.003 1.00 10.00 H new ATOM 0 HE21 GLN A 4 5.567 -3.865 4.557 1.00 10.00 H new ATOM 0 HE22 GLN A 4 6.427 -2.426 5.116 1.00 10.00 H new ATOM 57 N PHE A 5 5.417 -6.339 0.600 1.00 10.00 N ATOM 58 CA PHE A 5 4.193 -7.077 0.796 1.00 10.00 C ATOM 59 C PHE A 5 3.935 -8.016 -0.354 1.00 10.00 C ATOM 60 O PHE A 5 3.670 -9.183 -0.128 1.00 10.00 O ATOM 61 CB PHE A 5 3.046 -6.083 0.883 1.00 10.00 C ATOM 62 CG PHE A 5 1.753 -6.723 1.318 1.00 10.00 C ATOM 63 CD1 PHE A 5 1.070 -7.642 0.490 1.00 10.00 C ATOM 64 CD2 PHE A 5 1.223 -6.378 2.566 1.00 10.00 C ATOM 65 CE1 PHE A 5 -0.119 -8.233 0.921 1.00 10.00 C ATOM 66 CE2 PHE A 5 0.001 -6.928 2.958 1.00 10.00 C ATOM 67 CZ PHE A 5 -0.656 -7.880 2.159 1.00 10.00 C ATOM 0 H PHE A 5 5.260 -5.416 0.196 1.00 10.00 H new ATOM 0 HA PHE A 5 4.277 -7.666 1.710 1.00 10.00 H new ATOM 0 HB2 PHE A 5 3.309 -5.292 1.585 1.00 10.00 H new ATOM 0 HB3 PHE A 5 2.904 -5.612 -0.090 1.00 10.00 H new ATOM 0 HD1 PHE A 5 1.470 -7.889 -0.482 1.00 10.00 H new ATOM 0 HD2 PHE A 5 1.751 -5.696 3.216 1.00 10.00 H new ATOM 0 HE1 PHE A 5 -0.620 -8.960 0.299 1.00 10.00 H new ATOM 0 HE2 PHE A 5 -0.447 -6.617 3.890 1.00 10.00 H new ATOM 0 HZ PHE A 5 -1.573 -8.336 2.502 1.00 10.00 H new ATOM 77 N LYS A 6 4.043 -7.531 -1.595 1.00 10.00 N ATOM 78 CA LYS A 6 3.863 -8.367 -2.787 1.00 10.00 C ATOM 79 C LYS A 6 4.816 -9.553 -2.759 1.00 10.00 C ATOM 80 O LYS A 6 4.499 -10.611 -3.272 1.00 10.00 O ATOM 81 CB LYS A 6 4.024 -7.510 -4.054 1.00 10.00 C ATOM 82 CG LYS A 6 5.454 -7.438 -4.639 1.00 10.00 C ATOM 83 CD LYS A 6 5.687 -8.371 -5.830 1.00 10.00 C ATOM 84 CE LYS A 6 6.428 -9.653 -5.418 1.00 10.00 C ATOM 85 NZ LYS A 6 7.529 -9.963 -6.350 1.00 10.00 N ATOM 0 H LYS A 6 4.256 -6.555 -1.801 1.00 10.00 H new ATOM 0 HA LYS A 6 2.854 -8.778 -2.795 1.00 10.00 H new ATOM 0 HB2 LYS A 6 3.357 -7.901 -4.822 1.00 10.00 H new ATOM 0 HB3 LYS A 6 3.692 -6.496 -3.829 1.00 10.00 H new ATOM 0 HG2 LYS A 6 5.658 -6.413 -4.948 1.00 10.00 H new ATOM 0 HG3 LYS A 6 6.169 -7.682 -3.854 1.00 10.00 H new ATOM 0 HD2 LYS A 6 4.729 -8.634 -6.278 1.00 10.00 H new ATOM 0 HD3 LYS A 6 6.263 -7.848 -6.593 1.00 10.00 H new ATOM 0 HE2 LYS A 6 6.825 -9.537 -4.410 1.00 10.00 H new ATOM 0 HE3 LYS A 6 5.727 -10.487 -5.391 1.00 10.00 H new ATOM 0 HZ1 LYS A 6 8.008 -10.834 -6.044 1.00 10.00 H new ATOM 0 HZ2 LYS A 6 7.146 -10.097 -7.307 1.00 10.00 H new ATOM 0 HZ3 LYS A 6 8.210 -9.177 -6.357 1.00 10.00 H new ATOM 99 N GLU A 7 5.983 -9.371 -2.140 1.00 10.00 N ATOM 100 CA GLU A 7 6.967 -10.421 -1.980 1.00 10.00 C ATOM 101 C GLU A 7 6.589 -11.364 -0.871 1.00 10.00 C ATOM 102 O GLU A 7 6.771 -12.559 -1.053 1.00 10.00 O ATOM 103 CB GLU A 7 8.365 -9.850 -1.720 1.00 10.00 C ATOM 104 CG GLU A 7 9.177 -9.782 -3.016 1.00 10.00 C ATOM 105 CD GLU A 7 10.664 -9.554 -2.734 1.00 10.00 C ATOM 106 OE1 GLU A 7 10.960 -8.711 -1.860 1.00 10.00 O ATOM 107 OE2 GLU A 7 11.467 -10.203 -3.438 1.00 10.00 O ATOM 0 H GLU A 7 6.266 -8.479 -1.735 1.00 10.00 H new ATOM 0 HA GLU A 7 6.989 -10.976 -2.918 1.00 10.00 H new ATOM 0 HB2 GLU A 7 8.280 -8.854 -1.286 1.00 10.00 H new ATOM 0 HB3 GLU A 7 8.886 -10.471 -0.992 1.00 10.00 H new ATOM 0 HG2 GLU A 7 9.049 -10.709 -3.576 1.00 10.00 H new ATOM 0 HG3 GLU A 7 8.797 -8.976 -3.643 1.00 10.00 H new ATOM 114 N CYS A 8 5.999 -10.843 0.207 1.00 10.00 N ATOM 115 CA CYS A 8 5.490 -11.691 1.266 1.00 10.00 C ATOM 116 C CYS A 8 4.288 -12.479 0.798 1.00 10.00 C ATOM 117 O CYS A 8 4.248 -13.657 1.027 1.00 10.00 O ATOM 118 CB CYS A 8 5.109 -10.842 2.472 1.00 10.00 C ATOM 119 SG CYS A 8 5.461 -11.673 4.045 1.00 10.00 S ATOM 0 H CYS A 8 5.866 -9.844 0.361 1.00 10.00 H new ATOM 0 HA CYS A 8 6.275 -12.393 1.547 1.00 10.00 H new ATOM 0 HB2 CYS A 8 5.652 -9.898 2.434 1.00 10.00 H new ATOM 0 HB3 CYS A 8 4.047 -10.601 2.422 1.00 10.00 H new ATOM 124 N TYR A 9 3.346 -11.870 0.092 1.00 10.00 N ATOM 125 CA TYR A 9 2.172 -12.542 -0.443 1.00 10.00 C ATOM 126 C TYR A 9 2.537 -13.632 -1.439 1.00 10.00 C ATOM 127 O TYR A 9 2.108 -14.768 -1.291 1.00 10.00 O ATOM 128 CB TYR A 9 1.327 -11.484 -1.144 1.00 10.00 C ATOM 129 CG TYR A 9 -0.083 -11.920 -1.402 1.00 10.00 C ATOM 130 CD1 TYR A 9 -0.416 -12.650 -2.564 1.00 10.00 C ATOM 131 CD2 TYR A 9 -1.071 -11.554 -0.472 1.00 10.00 C ATOM 132 CE1 TYR A 9 -1.762 -12.980 -2.809 1.00 10.00 C ATOM 133 CE2 TYR A 9 -2.404 -11.874 -0.744 1.00 10.00 C ATOM 134 CZ TYR A 9 -2.760 -12.583 -1.890 1.00 10.00 C ATOM 135 OH TYR A 9 -4.064 -12.883 -2.065 1.00 10.00 O ATOM 0 H TYR A 9 3.378 -10.875 -0.129 1.00 10.00 H new ATOM 0 HA TYR A 9 1.633 -13.022 0.374 1.00 10.00 H new ATOM 0 HB2 TYR A 9 1.314 -10.579 -0.536 1.00 10.00 H new ATOM 0 HB3 TYR A 9 1.798 -11.224 -2.092 1.00 10.00 H new ATOM 0 HD1 TYR A 9 0.355 -12.952 -3.258 1.00 10.00 H new ATOM 0 HD2 TYR A 9 -0.805 -11.035 0.437 1.00 10.00 H new ATOM 0 HE1 TYR A 9 -2.031 -13.534 -3.696 1.00 10.00 H new ATOM 0 HE2 TYR A 9 -3.174 -11.566 -0.052 1.00 10.00 H new ATOM 0 HH TYR A 9 -4.586 -12.519 -1.320 1.00 10.00 H new ATOM 145 N ASP A 10 3.346 -13.292 -2.446 1.00 10.00 N ATOM 146 CA ASP A 10 3.788 -14.238 -3.474 1.00 10.00 C ATOM 147 C ASP A 10 4.562 -15.386 -2.830 1.00 10.00 C ATOM 148 O ASP A 10 4.248 -16.568 -3.002 1.00 10.00 O ATOM 149 CB ASP A 10 4.690 -13.515 -4.490 1.00 10.00 C ATOM 150 CG ASP A 10 4.649 -14.137 -5.879 1.00 10.00 C ATOM 151 OD1 ASP A 10 5.294 -15.191 -6.067 1.00 10.00 O ATOM 152 OD2 ASP A 10 3.989 -13.512 -6.737 1.00 10.00 O ATOM 0 H ASP A 10 3.714 -12.349 -2.572 1.00 10.00 H new ATOM 0 HA ASP A 10 2.914 -14.640 -3.986 1.00 10.00 H new ATOM 0 HB2 ASP A 10 4.385 -12.471 -4.558 1.00 10.00 H new ATOM 0 HB3 ASP A 10 5.717 -13.524 -4.125 1.00 10.00 H new ATOM 157 N THR A 11 5.555 -15.019 -2.022 1.00 10.00 N ATOM 158 CA THR A 11 6.437 -15.968 -1.345 1.00 10.00 C ATOM 159 C THR A 11 5.674 -16.787 -0.324 1.00 10.00 C ATOM 160 O THR A 11 5.795 -18.013 -0.334 1.00 10.00 O ATOM 161 CB THR A 11 7.608 -15.251 -0.679 1.00 10.00 C ATOM 162 OG1 THR A 11 8.278 -14.546 -1.693 1.00 10.00 O ATOM 163 CG2 THR A 11 8.639 -16.160 -0.031 1.00 10.00 C ATOM 0 H THR A 11 5.772 -14.044 -1.817 1.00 10.00 H new ATOM 0 HA THR A 11 6.834 -16.644 -2.102 1.00 10.00 H new ATOM 0 HB THR A 11 7.186 -14.636 0.116 1.00 10.00 H new ATOM 0 HG1 THR A 11 7.911 -13.640 -1.758 1.00 10.00 H new ATOM 0 HG21 THR A 11 9.429 -15.555 0.414 1.00 10.00 H new ATOM 0 HG22 THR A 11 8.160 -16.758 0.744 1.00 10.00 H new ATOM 0 HG23 THR A 11 9.068 -16.820 -0.785 1.00 10.00 H new ATOM 171 N CYS A 12 4.848 -16.135 0.502 1.00 10.00 N ATOM 172 CA CYS A 12 3.943 -16.792 1.443 1.00 10.00 C ATOM 173 C CYS A 12 3.079 -17.765 0.672 1.00 10.00 C ATOM 174 O CYS A 12 2.991 -18.913 1.053 1.00 10.00 O ATOM 175 CB CYS A 12 3.084 -15.800 2.254 1.00 10.00 C ATOM 176 SG CYS A 12 2.102 -16.510 3.598 1.00 10.00 S ATOM 0 H CYS A 12 4.791 -15.117 0.533 1.00 10.00 H new ATOM 0 HA CYS A 12 4.543 -17.322 2.183 1.00 10.00 H new ATOM 0 HB2 CYS A 12 3.743 -15.040 2.675 1.00 10.00 H new ATOM 0 HB3 CYS A 12 2.408 -15.291 1.567 1.00 10.00 H new ATOM 0 HG CYS A 12 0.872 -16.659 3.205 1.00 10.00 H new ATOM 181 N HIS A 13 2.530 -17.378 -0.488 1.00 10.00 N ATOM 182 CA HIS A 13 1.756 -18.283 -1.336 1.00 10.00 C ATOM 183 C HIS A 13 2.532 -19.526 -1.717 1.00 10.00 C ATOM 184 O HIS A 13 1.935 -20.594 -1.765 1.00 10.00 O ATOM 185 CB HIS A 13 1.296 -17.585 -2.611 1.00 10.00 C ATOM 186 CG HIS A 13 -0.022 -18.077 -3.109 1.00 10.00 C ATOM 187 ND1 HIS A 13 -0.258 -18.469 -4.404 1.00 10.00 N ATOM 188 CD2 HIS A 13 -1.191 -18.121 -2.403 1.00 10.00 C ATOM 189 CE1 HIS A 13 -1.556 -18.785 -4.475 1.00 10.00 C ATOM 190 NE2 HIS A 13 -2.143 -18.590 -3.282 1.00 10.00 N ATOM 0 H HIS A 13 2.612 -16.432 -0.860 1.00 10.00 H new ATOM 0 HA HIS A 13 0.892 -18.582 -0.743 1.00 10.00 H new ATOM 0 HB2 HIS A 13 1.230 -16.513 -2.427 1.00 10.00 H new ATOM 0 HB3 HIS A 13 2.047 -17.729 -3.388 1.00 10.00 H new ATOM 0 HD2 HIS A 13 -1.338 -17.845 -1.369 1.00 10.00 H new ATOM 0 HE1 HIS A 13 -2.058 -19.144 -5.361 1.00 10.00 H new ATOM 0 HE2 HIS A 13 -3.125 -18.760 -3.064 1.00 10.00 H new ATOM 199 N LYS A 14 3.827 -19.375 -2.016 1.00 10.00 N ATOM 200 CA LYS A 14 4.718 -20.502 -2.274 1.00 10.00 C ATOM 201 C LYS A 14 4.724 -21.452 -1.094 1.00 10.00 C ATOM 202 O LYS A 14 4.174 -22.518 -1.264 1.00 10.00 O ATOM 203 CB LYS A 14 6.129 -20.031 -2.628 1.00 10.00 C ATOM 204 CG LYS A 14 6.744 -20.986 -3.652 1.00 10.00 C ATOM 205 CD LYS A 14 8.261 -20.806 -3.664 1.00 10.00 C ATOM 206 CE LYS A 14 8.892 -21.799 -4.641 1.00 10.00 C ATOM 207 NZ LYS A 14 9.794 -22.738 -3.933 1.00 10.00 N ATOM 0 H LYS A 14 4.283 -18.465 -2.085 1.00 10.00 H new ATOM 0 HA LYS A 14 4.339 -21.044 -3.141 1.00 10.00 H new ATOM 0 HB2 LYS A 14 6.095 -19.019 -3.033 1.00 10.00 H new ATOM 0 HB3 LYS A 14 6.748 -19.995 -1.731 1.00 10.00 H new ATOM 0 HG2 LYS A 14 6.491 -22.017 -3.403 1.00 10.00 H new ATOM 0 HG3 LYS A 14 6.335 -20.788 -4.643 1.00 10.00 H new ATOM 0 HD2 LYS A 14 8.513 -19.786 -3.954 1.00 10.00 H new ATOM 0 HD3 LYS A 14 8.663 -20.961 -2.663 1.00 10.00 H new ATOM 0 HE2 LYS A 14 8.109 -22.358 -5.154 1.00 10.00 H new ATOM 0 HE3 LYS A 14 9.451 -21.258 -5.405 1.00 10.00 H new ATOM 0 HZ1 LYS A 14 10.210 -23.402 -4.617 1.00 10.00 H new ATOM 0 HZ2 LYS A 14 10.553 -22.203 -3.464 1.00 10.00 H new ATOM 0 HZ3 LYS A 14 9.253 -23.269 -3.221 1.00 10.00 H new ATOM 221 N GLU A 15 5.278 -21.071 0.059 1.00 10.00 N ATOM 222 CA GLU A 15 5.266 -21.909 1.280 1.00 10.00 C ATOM 223 C GLU A 15 3.841 -22.323 1.731 1.00 10.00 C ATOM 224 O GLU A 15 3.599 -23.389 2.298 1.00 10.00 O ATOM 225 CB GLU A 15 6.000 -21.160 2.400 1.00 10.00 C ATOM 226 CG GLU A 15 6.167 -22.039 3.658 1.00 10.00 C ATOM 227 CD GLU A 15 5.537 -21.419 4.916 1.00 10.00 C ATOM 228 OE1 GLU A 15 4.439 -20.828 4.792 1.00 10.00 O ATOM 229 OE2 GLU A 15 6.158 -21.569 5.995 1.00 10.00 O ATOM 0 H GLU A 15 5.750 -20.175 0.182 1.00 10.00 H new ATOM 0 HA GLU A 15 5.779 -22.842 1.047 1.00 10.00 H new ATOM 0 HB2 GLU A 15 6.980 -20.843 2.044 1.00 10.00 H new ATOM 0 HB3 GLU A 15 5.447 -20.257 2.658 1.00 10.00 H new ATOM 0 HG2 GLU A 15 5.715 -23.014 3.475 1.00 10.00 H new ATOM 0 HG3 GLU A 15 7.229 -22.209 3.837 1.00 10.00 H new ATOM 236 N CYS A 16 2.850 -21.507 1.393 1.00 10.00 N ATOM 237 CA CYS A 16 1.463 -21.757 1.717 1.00 10.00 C ATOM 238 C CYS A 16 0.945 -22.909 0.865 1.00 10.00 C ATOM 239 O CYS A 16 0.662 -24.000 1.347 1.00 10.00 O ATOM 240 CB CYS A 16 0.611 -20.500 1.505 1.00 10.00 C ATOM 241 SG CYS A 16 -1.125 -20.672 2.004 1.00 10.00 S ATOM 0 H CYS A 16 2.997 -20.639 0.877 1.00 10.00 H new ATOM 0 HA CYS A 16 1.390 -22.027 2.770 1.00 10.00 H new ATOM 0 HB2 CYS A 16 1.056 -19.677 2.064 1.00 10.00 H new ATOM 0 HB3 CYS A 16 0.647 -20.226 0.451 1.00 10.00 H new ATOM 246 N SER A 17 0.785 -22.657 -0.437 1.00 10.00 N ATOM 247 CA SER A 17 0.345 -23.676 -1.392 1.00 10.00 C ATOM 248 C SER A 17 1.305 -24.868 -1.417 1.00 10.00 C ATOM 249 O SER A 17 0.879 -25.970 -1.752 1.00 10.00 O ATOM 250 CB SER A 17 0.259 -23.094 -2.805 1.00 10.00 C ATOM 251 OG SER A 17 -1.030 -23.241 -3.372 1.00 10.00 O ATOM 0 H SER A 17 0.956 -21.744 -0.857 1.00 10.00 H new ATOM 0 HA SER A 17 -0.640 -24.012 -1.067 1.00 10.00 H new ATOM 0 HB2 SER A 17 0.522 -22.037 -2.776 1.00 10.00 H new ATOM 0 HB3 SER A 17 0.992 -23.587 -3.443 1.00 10.00 H new ATOM 0 HG SER A 17 -1.037 -22.854 -4.272 1.00 10.00 H new ATOM 257 N ASP A 18 2.572 -24.660 -1.036 1.00 10.00 N ATOM 258 CA ASP A 18 3.593 -25.707 -0.864 1.00 10.00 C ATOM 259 C ASP A 18 3.140 -26.743 0.147 1.00 10.00 C ATOM 260 O ASP A 18 3.324 -27.939 -0.076 1.00 10.00 O ATOM 261 CB ASP A 18 4.926 -25.121 -0.374 1.00 10.00 C ATOM 262 CG ASP A 18 5.862 -26.127 0.304 1.00 10.00 C ATOM 263 OD1 ASP A 18 6.624 -26.781 -0.444 1.00 10.00 O ATOM 264 OD2 ASP A 18 5.850 -26.174 1.553 1.00 10.00 O ATOM 0 H ASP A 18 2.929 -23.727 -0.831 1.00 10.00 H new ATOM 0 HA ASP A 18 3.733 -26.168 -1.842 1.00 10.00 H new ATOM 0 HB2 ASP A 18 5.446 -24.678 -1.224 1.00 10.00 H new ATOM 0 HB3 ASP A 18 4.715 -24.313 0.327 1.00 10.00 H new ATOM 269 N LYS A 19 2.458 -26.304 1.214 1.00 10.00 N ATOM 270 CA LYS A 19 1.884 -27.209 2.189 1.00 10.00 C ATOM 271 C LYS A 19 0.819 -28.129 1.584 1.00 10.00 C ATOM 272 O LYS A 19 0.395 -29.086 2.235 1.00 10.00 O ATOM 273 CB LYS A 19 1.360 -26.398 3.382 1.00 10.00 C ATOM 274 CG LYS A 19 2.262 -26.475 4.609 1.00 10.00 C ATOM 275 CD LYS A 19 1.530 -27.225 5.725 1.00 10.00 C ATOM 276 CE LYS A 19 2.300 -27.046 7.026 1.00 10.00 C ATOM 277 NZ LYS A 19 1.823 -28.006 8.045 1.00 10.00 N ATOM 0 H LYS A 19 2.296 -25.317 1.414 1.00 10.00 H new ATOM 0 HA LYS A 19 2.665 -27.882 2.543 1.00 10.00 H new ATOM 0 HB2 LYS A 19 1.253 -25.355 3.084 1.00 10.00 H new ATOM 0 HB3 LYS A 19 0.366 -26.757 3.648 1.00 10.00 H new ATOM 0 HG2 LYS A 19 3.192 -26.986 4.360 1.00 10.00 H new ATOM 0 HG3 LYS A 19 2.529 -25.472 4.943 1.00 10.00 H new ATOM 0 HD2 LYS A 19 0.515 -26.844 5.832 1.00 10.00 H new ATOM 0 HD3 LYS A 19 1.449 -28.283 5.478 1.00 10.00 H new ATOM 0 HE2 LYS A 19 3.365 -27.194 6.849 1.00 10.00 H new ATOM 0 HE3 LYS A 19 2.176 -26.027 7.392 1.00 10.00 H new ATOM 0 HZ1 LYS A 19 2.358 -27.871 8.926 1.00 10.00 H new ATOM 0 HZ2 LYS A 19 0.811 -27.846 8.226 1.00 10.00 H new ATOM 0 HZ3 LYS A 19 1.964 -28.977 7.700 1.00 10.00 H new ATOM 291 N GLY A 20 0.412 -27.854 0.341 1.00 10.00 N ATOM 292 CA GLY A 20 -0.548 -28.628 -0.439 1.00 10.00 C ATOM 293 C GLY A 20 -1.959 -28.074 -0.273 1.00 10.00 C ATOM 294 O GLY A 20 -2.948 -28.791 -0.439 1.00 10.00 O ATOM 0 H GLY A 20 0.763 -27.044 -0.170 1.00 10.00 H new ATOM 0 HA2 GLY A 20 -0.267 -28.608 -1.492 1.00 10.00 H new ATOM 0 HA3 GLY A 20 -0.523 -29.671 -0.122 1.00 10.00 H new ATOM 298 N ASN A 21 -2.057 -26.803 0.132 1.00 10.00 N ATOM 299 CA ASN A 21 -3.318 -26.139 0.374 1.00 10.00 C ATOM 300 C ASN A 21 -3.954 -25.714 -0.960 1.00 10.00 C ATOM 301 O ASN A 21 -3.388 -25.818 -2.052 1.00 10.00 O ATOM 302 CB ASN A 21 -3.151 -24.938 1.321 1.00 10.00 C ATOM 303 CG ASN A 21 -2.072 -25.029 2.383 1.00 10.00 C ATOM 304 OD1 ASN A 21 -1.649 -26.091 2.780 1.00 10.00 O ATOM 305 ND2 ASN A 21 -1.662 -23.911 2.938 1.00 10.00 N ATOM 0 H ASN A 21 -1.245 -26.209 0.300 1.00 10.00 H new ATOM 0 HA ASN A 21 -3.987 -26.844 0.868 1.00 10.00 H new ATOM 0 HB2 ASN A 21 -2.951 -24.056 0.713 1.00 10.00 H new ATOM 0 HB3 ASN A 21 -4.104 -24.770 1.823 1.00 10.00 H new ATOM 0 HD21 ASN A 21 -0.988 -23.939 3.703 1.00 10.00 H new ATOM 0 HD22 ASN A 21 -2.018 -23.015 2.604 1.00 10.00 H new ATOM 312 N GLY A 22 -5.148 -25.134 -0.869 1.00 10.00 N ATOM 313 CA GLY A 22 -5.793 -24.620 -2.070 1.00 10.00 C ATOM 314 C GLY A 22 -5.259 -23.240 -2.397 1.00 10.00 C ATOM 315 O GLY A 22 -5.305 -22.375 -1.534 1.00 10.00 O ATOM 0 H GLY A 22 -5.674 -25.011 -0.004 1.00 10.00 H new ATOM 0 HA2 GLY A 22 -5.613 -25.296 -2.906 1.00 10.00 H new ATOM 0 HA3 GLY A 22 -6.872 -24.575 -1.922 1.00 10.00 H new ATOM 319 N PHE A 23 -4.826 -23.020 -3.643 1.00 10.00 N ATOM 320 CA PHE A 23 -4.338 -21.727 -4.142 1.00 10.00 C ATOM 321 C PHE A 23 -5.157 -20.557 -3.600 1.00 10.00 C ATOM 322 O PHE A 23 -4.631 -19.689 -2.914 1.00 10.00 O ATOM 323 CB PHE A 23 -4.413 -21.733 -5.676 1.00 10.00 C ATOM 324 CG PHE A 23 -3.840 -20.502 -6.364 1.00 10.00 C ATOM 325 CD1 PHE A 23 -4.426 -19.221 -6.207 1.00 10.00 C ATOM 326 CD2 PHE A 23 -2.691 -20.644 -7.165 1.00 10.00 C ATOM 327 CE1 PHE A 23 -3.849 -18.095 -6.806 1.00 10.00 C ATOM 328 CE2 PHE A 23 -2.133 -19.516 -7.794 1.00 10.00 C ATOM 329 CZ PHE A 23 -2.710 -18.246 -7.610 1.00 10.00 C ATOM 0 H PHE A 23 -4.804 -23.754 -4.351 1.00 10.00 H new ATOM 0 HA PHE A 23 -3.311 -21.595 -3.801 1.00 10.00 H new ATOM 0 HB2 PHE A 23 -3.886 -22.613 -6.045 1.00 10.00 H new ATOM 0 HB3 PHE A 23 -5.457 -21.840 -5.971 1.00 10.00 H new ATOM 0 HD1 PHE A 23 -5.326 -19.113 -5.620 1.00 10.00 H new ATOM 0 HD2 PHE A 23 -2.239 -21.616 -7.296 1.00 10.00 H new ATOM 0 HE1 PHE A 23 -4.278 -17.116 -6.650 1.00 10.00 H new ATOM 0 HE2 PHE A 23 -1.260 -19.625 -8.420 1.00 10.00 H new ATOM 0 HZ PHE A 23 -2.273 -17.383 -8.090 1.00 10.00 H new ATOM 339 N THR A 24 -6.445 -20.524 -3.932 1.00 10.00 N ATOM 340 CA THR A 24 -7.375 -19.465 -3.524 1.00 10.00 C ATOM 341 C THR A 24 -7.356 -19.267 -2.014 1.00 10.00 C ATOM 342 O THR A 24 -7.059 -18.187 -1.512 1.00 10.00 O ATOM 343 CB THR A 24 -8.790 -19.788 -4.039 1.00 10.00 C ATOM 344 OG1 THR A 24 -8.952 -19.089 -5.246 1.00 10.00 O ATOM 345 CG2 THR A 24 -9.915 -19.364 -3.090 1.00 10.00 C ATOM 0 H THR A 24 -6.884 -21.246 -4.504 1.00 10.00 H new ATOM 0 HA THR A 24 -7.055 -18.523 -3.969 1.00 10.00 H new ATOM 0 HB THR A 24 -8.866 -20.870 -4.143 1.00 10.00 H new ATOM 0 HG1 THR A 24 -9.844 -19.269 -5.611 1.00 10.00 H new ATOM 0 HG21 THR A 24 -10.878 -19.627 -3.527 1.00 10.00 H new ATOM 0 HG22 THR A 24 -9.798 -19.876 -2.135 1.00 10.00 H new ATOM 0 HG23 THR A 24 -9.871 -18.286 -2.932 1.00 10.00 H new ATOM 353 N PHE A 25 -7.675 -20.336 -1.281 1.00 10.00 N ATOM 354 CA PHE A 25 -7.653 -20.306 0.174 1.00 10.00 C ATOM 355 C PHE A 25 -6.320 -19.808 0.717 1.00 10.00 C ATOM 356 O PHE A 25 -6.287 -19.026 1.662 1.00 10.00 O ATOM 357 CB PHE A 25 -7.914 -21.724 0.667 1.00 10.00 C ATOM 358 CG PHE A 25 -7.666 -21.901 2.146 1.00 10.00 C ATOM 359 CD1 PHE A 25 -8.636 -21.479 3.068 1.00 10.00 C ATOM 360 CD2 PHE A 25 -6.446 -22.443 2.592 1.00 10.00 C ATOM 361 CE1 PHE A 25 -8.405 -21.636 4.443 1.00 10.00 C ATOM 362 CE2 PHE A 25 -6.215 -22.603 3.967 1.00 10.00 C ATOM 363 CZ PHE A 25 -7.199 -22.206 4.888 1.00 10.00 C ATOM 0 H PHE A 25 -7.952 -21.234 -1.678 1.00 10.00 H new ATOM 0 HA PHE A 25 -8.417 -19.614 0.528 1.00 10.00 H new ATOM 0 HB2 PHE A 25 -8.946 -21.994 0.445 1.00 10.00 H new ATOM 0 HB3 PHE A 25 -7.278 -22.415 0.114 1.00 10.00 H new ATOM 0 HD1 PHE A 25 -9.557 -21.035 2.720 1.00 10.00 H new ATOM 0 HD2 PHE A 25 -5.690 -22.735 1.878 1.00 10.00 H new ATOM 0 HE1 PHE A 25 -9.151 -21.320 5.157 1.00 10.00 H new ATOM 0 HE2 PHE A 25 -5.286 -23.029 4.315 1.00 10.00 H new ATOM 0 HZ PHE A 25 -7.028 -22.340 5.946 1.00 10.00 H new ATOM 373 N CYS A 26 -5.235 -20.246 0.081 1.00 10.00 N ATOM 374 CA CYS A 26 -3.893 -19.838 0.388 1.00 10.00 C ATOM 375 C CYS A 26 -3.726 -18.351 0.195 1.00 10.00 C ATOM 376 O CYS A 26 -3.038 -17.741 0.984 1.00 10.00 O ATOM 377 CB CYS A 26 -2.873 -20.570 -0.491 1.00 10.00 C ATOM 378 SG CYS A 26 -1.967 -21.762 0.486 1.00 10.00 S ATOM 0 H CYS A 26 -5.283 -20.917 -0.686 1.00 10.00 H new ATOM 0 HA CYS A 26 -3.712 -20.093 1.432 1.00 10.00 H new ATOM 0 HB2 CYS A 26 -3.383 -21.073 -1.312 1.00 10.00 H new ATOM 0 HB3 CYS A 26 -2.183 -19.853 -0.936 1.00 10.00 H new ATOM 383 N GLU A 27 -4.342 -17.789 -0.845 1.00 10.00 N ATOM 384 CA GLU A 27 -4.384 -16.356 -1.073 1.00 10.00 C ATOM 385 C GLU A 27 -5.105 -15.652 0.058 1.00 10.00 C ATOM 386 O GLU A 27 -4.446 -14.927 0.778 1.00 10.00 O ATOM 387 CB GLU A 27 -5.078 -16.024 -2.406 1.00 10.00 C ATOM 388 CG GLU A 27 -4.080 -15.451 -3.401 1.00 10.00 C ATOM 389 CD GLU A 27 -4.713 -14.441 -4.382 1.00 10.00 C ATOM 390 OE1 GLU A 27 -5.832 -13.944 -4.119 1.00 10.00 O ATOM 391 OE2 GLU A 27 -4.091 -14.291 -5.456 1.00 10.00 O ATOM 0 H GLU A 27 -4.831 -18.329 -1.559 1.00 10.00 H new ATOM 0 HA GLU A 27 -3.353 -16.004 -1.116 1.00 10.00 H new ATOM 0 HB2 GLU A 27 -5.535 -16.924 -2.818 1.00 10.00 H new ATOM 0 HB3 GLU A 27 -5.882 -15.308 -2.235 1.00 10.00 H new ATOM 0 HG2 GLU A 27 -3.273 -14.962 -2.856 1.00 10.00 H new ATOM 0 HG3 GLU A 27 -3.632 -16.267 -3.968 1.00 10.00 H new ATOM 398 N MET A 28 -6.412 -15.882 0.247 1.00 10.00 N ATOM 399 CA MET A 28 -7.199 -15.236 1.312 1.00 10.00 C ATOM 400 C MET A 28 -6.530 -15.332 2.690 1.00 10.00 C ATOM 401 O MET A 28 -6.770 -14.537 3.599 1.00 10.00 O ATOM 402 CB MET A 28 -8.561 -15.925 1.406 1.00 10.00 C ATOM 403 CG MET A 28 -9.577 -15.069 2.163 1.00 10.00 C ATOM 404 SD MET A 28 -10.811 -14.374 1.041 1.00 10.00 S ATOM 405 CE MET A 28 -12.303 -14.589 2.027 1.00 10.00 C ATOM 0 H MET A 28 -6.955 -16.521 -0.333 1.00 10.00 H new ATOM 0 HA MET A 28 -7.287 -14.182 1.050 1.00 10.00 H new ATOM 0 HB2 MET A 28 -8.934 -16.131 0.403 1.00 10.00 H new ATOM 0 HB3 MET A 28 -8.449 -16.886 1.908 1.00 10.00 H new ATOM 0 HG2 MET A 28 -10.072 -15.674 2.923 1.00 10.00 H new ATOM 0 HG3 MET A 28 -9.061 -14.263 2.684 1.00 10.00 H new ATOM 0 HE1 MET A 28 -13.162 -14.208 1.475 1.00 10.00 H new ATOM 0 HE2 MET A 28 -12.449 -15.648 2.240 1.00 10.00 H new ATOM 0 HE3 MET A 28 -12.202 -14.041 2.964 1.00 10.00 H new ATOM 415 N LYS A 29 -5.696 -16.363 2.861 1.00 10.00 N ATOM 416 CA LYS A 29 -4.894 -16.571 4.049 1.00 10.00 C ATOM 417 C LYS A 29 -3.606 -15.774 4.022 1.00 10.00 C ATOM 418 O LYS A 29 -3.477 -14.916 4.874 1.00 10.00 O ATOM 419 CB LYS A 29 -4.623 -18.053 4.254 1.00 10.00 C ATOM 420 CG LYS A 29 -4.415 -18.318 5.748 1.00 10.00 C ATOM 421 CD LYS A 29 -5.749 -18.737 6.375 1.00 10.00 C ATOM 422 CE LYS A 29 -5.508 -19.300 7.771 1.00 10.00 C ATOM 423 NZ LYS A 29 -6.777 -19.779 8.363 1.00 10.00 N ATOM 0 H LYS A 29 -5.564 -17.087 2.155 1.00 10.00 H new ATOM 0 HA LYS A 29 -5.468 -16.202 4.899 1.00 10.00 H new ATOM 0 HB2 LYS A 29 -5.459 -18.644 3.879 1.00 10.00 H new ATOM 0 HB3 LYS A 29 -3.740 -18.356 3.691 1.00 10.00 H new ATOM 0 HG2 LYS A 29 -3.670 -19.101 5.891 1.00 10.00 H new ATOM 0 HG3 LYS A 29 -4.034 -17.423 6.239 1.00 10.00 H new ATOM 0 HD2 LYS A 29 -6.421 -17.881 6.429 1.00 10.00 H new ATOM 0 HD3 LYS A 29 -6.236 -19.485 5.750 1.00 10.00 H new ATOM 0 HE2 LYS A 29 -4.791 -20.120 7.720 1.00 10.00 H new ATOM 0 HE3 LYS A 29 -5.069 -18.532 8.408 1.00 10.00 H new ATOM 0 HZ1 LYS A 29 -6.595 -20.159 9.314 1.00 10.00 H new ATOM 0 HZ2 LYS A 29 -7.449 -18.988 8.429 1.00 10.00 H new ATOM 0 HZ3 LYS A 29 -7.180 -20.527 7.763 1.00 10.00 H new ATOM 437 N CYS A 30 -2.703 -16.046 3.078 1.00 10.00 N ATOM 438 CA CYS A 30 -1.466 -15.303 2.831 1.00 10.00 C ATOM 439 C CYS A 30 -1.688 -13.785 2.811 1.00 10.00 C ATOM 440 O CYS A 30 -0.781 -13.017 3.127 1.00 10.00 O ATOM 441 CB CYS A 30 -0.878 -15.714 1.473 1.00 10.00 C ATOM 442 SG CYS A 30 -0.105 -17.331 1.410 1.00 10.00 S ATOM 0 H CYS A 30 -2.820 -16.828 2.434 1.00 10.00 H new ATOM 0 HA CYS A 30 -0.786 -15.543 3.648 1.00 10.00 H new ATOM 0 HB2 CYS A 30 -1.675 -15.685 0.730 1.00 10.00 H new ATOM 0 HB3 CYS A 30 -0.140 -14.968 1.178 1.00 10.00 H new ATOM 0 HG CYS A 30 1.133 -17.235 1.794 1.00 10.00 H new ATOM 447 N ASP A 31 -2.903 -13.379 2.421 1.00 10.00 N ATOM 448 CA ASP A 31 -3.385 -12.006 2.440 1.00 10.00 C ATOM 449 C ASP A 31 -3.354 -11.481 3.852 1.00 10.00 C ATOM 450 O ASP A 31 -2.566 -10.606 4.160 1.00 10.00 O ATOM 451 CB ASP A 31 -4.825 -11.909 1.880 1.00 10.00 C ATOM 452 CG ASP A 31 -5.097 -10.560 1.215 1.00 10.00 C ATOM 453 OD1 ASP A 31 -4.691 -9.522 1.783 1.00 10.00 O ATOM 454 OD2 ASP A 31 -5.684 -10.609 0.113 1.00 10.00 O ATOM 0 H ASP A 31 -3.602 -14.033 2.069 1.00 10.00 H new ATOM 0 HA ASP A 31 -2.733 -11.406 1.806 1.00 10.00 H new ATOM 0 HB2 ASP A 31 -4.986 -12.708 1.156 1.00 10.00 H new ATOM 0 HB3 ASP A 31 -5.539 -12.064 2.689 1.00 10.00 H new ATOM 459 N THR A 32 -4.161 -12.087 4.724 1.00 10.00 N ATOM 460 CA THR A 32 -4.226 -11.719 6.139 1.00 10.00 C ATOM 461 C THR A 32 -2.951 -12.103 6.896 1.00 10.00 C ATOM 462 O THR A 32 -2.659 -11.522 7.936 1.00 10.00 O ATOM 463 CB THR A 32 -5.479 -12.342 6.771 1.00 10.00 C ATOM 464 OG1 THR A 32 -6.559 -11.452 6.577 1.00 10.00 O ATOM 465 CG2 THR A 32 -5.403 -12.585 8.278 1.00 10.00 C ATOM 0 H THR A 32 -4.789 -12.849 4.468 1.00 10.00 H new ATOM 0 HA THR A 32 -4.299 -10.634 6.212 1.00 10.00 H new ATOM 0 HB THR A 32 -5.591 -13.312 6.287 1.00 10.00 H new ATOM 0 HG1 THR A 32 -7.371 -11.832 6.972 1.00 10.00 H new ATOM 0 HG21 THR A 32 -6.338 -13.027 8.623 1.00 10.00 H new ATOM 0 HG22 THR A 32 -4.579 -13.264 8.496 1.00 10.00 H new ATOM 0 HG23 THR A 32 -5.238 -11.638 8.791 1.00 10.00 H new ATOM 473 N ASP A 33 -2.216 -13.112 6.418 1.00 10.00 N ATOM 474 CA ASP A 33 -0.954 -13.567 6.997 1.00 10.00 C ATOM 475 C ASP A 33 0.021 -12.390 7.093 1.00 10.00 C ATOM 476 O ASP A 33 0.288 -11.838 8.165 1.00 10.00 O ATOM 477 CB ASP A 33 -0.357 -14.698 6.139 1.00 10.00 C ATOM 478 CG ASP A 33 1.043 -15.117 6.593 1.00 10.00 C ATOM 479 OD1 ASP A 33 2.014 -14.448 6.172 1.00 10.00 O ATOM 480 OD2 ASP A 33 1.101 -16.104 7.357 1.00 10.00 O ATOM 0 H ASP A 33 -2.493 -13.648 5.595 1.00 10.00 H new ATOM 0 HA ASP A 33 -1.135 -13.956 7.999 1.00 10.00 H new ATOM 0 HB2 ASP A 33 -1.019 -15.563 6.176 1.00 10.00 H new ATOM 0 HB3 ASP A 33 -0.314 -14.374 5.099 1.00 10.00 H new ATOM 485 N CYS A 34 0.538 -11.986 5.934 1.00 10.00 N ATOM 486 CA CYS A 34 1.500 -10.910 5.860 1.00 10.00 C ATOM 487 C CYS A 34 0.744 -9.631 5.532 1.00 10.00 C ATOM 488 O CYS A 34 0.741 -9.186 4.391 1.00 10.00 O ATOM 489 CB CYS A 34 2.601 -11.233 4.839 1.00 10.00 C ATOM 490 SG CYS A 34 4.252 -10.689 5.358 1.00 10.00 S ATOM 0 H CYS A 34 0.299 -12.397 5.032 1.00 10.00 H new ATOM 0 HA CYS A 34 2.012 -10.779 6.813 1.00 10.00 H new ATOM 0 HB2 CYS A 34 2.620 -12.309 4.665 1.00 10.00 H new ATOM 0 HB3 CYS A 34 2.354 -10.761 3.888 1.00 10.00 H new ATOM 495 N SER A 35 0.112 -9.027 6.542 1.00 10.00 N ATOM 496 CA SER A 35 -0.692 -7.808 6.402 1.00 10.00 C ATOM 497 C SER A 35 -1.121 -7.264 7.765 1.00 10.00 C ATOM 498 O SER A 35 -2.063 -7.694 8.434 1.00 10.00 O ATOM 499 CB SER A 35 -1.900 -7.998 5.472 1.00 10.00 C ATOM 500 OG SER A 35 -2.954 -8.658 6.112 1.00 10.00 O ATOM 0 H SER A 35 0.145 -9.378 7.499 1.00 10.00 H new ATOM 0 HA SER A 35 -0.049 -7.066 5.929 1.00 10.00 H new ATOM 0 HB2 SER A 35 -2.242 -7.025 5.119 1.00 10.00 H new ATOM 0 HB3 SER A 35 -1.596 -8.567 4.594 1.00 10.00 H new ATOM 0 HG SER A 35 -2.750 -8.751 7.066 1.00 10.00 H new ATOM 506 N VAL A 36 -0.348 -6.297 8.242 1.00 10.00 N ATOM 507 CA VAL A 36 -0.649 -5.696 9.523 1.00 10.00 C ATOM 508 C VAL A 36 -1.831 -4.740 9.364 1.00 10.00 C ATOM 509 O VAL A 36 -2.445 -4.613 8.303 1.00 10.00 O ATOM 510 CB VAL A 36 0.605 -5.070 10.146 1.00 10.00 C ATOM 511 CG1 VAL A 36 0.484 -5.045 11.684 1.00 10.00 C ATOM 512 CG2 VAL A 36 1.889 -5.807 9.715 1.00 10.00 C ATOM 0 H VAL A 36 0.474 -5.922 7.769 1.00 10.00 H new ATOM 0 HA VAL A 36 -0.959 -6.456 10.240 1.00 10.00 H new ATOM 0 HB VAL A 36 0.679 -4.046 9.780 1.00 10.00 H new ATOM 0 HG11 VAL A 36 1.381 -4.598 12.112 1.00 10.00 H new ATOM 0 HG12 VAL A 36 -0.387 -4.456 11.971 1.00 10.00 H new ATOM 0 HG13 VAL A 36 0.372 -6.063 12.057 1.00 10.00 H new ATOM 0 HG21 VAL A 36 2.754 -5.332 10.178 1.00 10.00 H new ATOM 0 HG22 VAL A 36 1.834 -6.849 10.031 1.00 10.00 H new ATOM 0 HG23 VAL A 36 1.988 -5.762 8.630 1.00 10.00 H new ATOM 522 N LYS A 37 -2.155 -4.028 10.440 1.00 10.00 N ATOM 523 CA LYS A 37 -3.187 -2.994 10.390 1.00 10.00 C ATOM 524 C LYS A 37 -2.912 -1.985 9.276 1.00 10.00 C ATOM 525 O LYS A 37 -1.765 -1.688 8.951 1.00 10.00 O ATOM 526 CB LYS A 37 -3.306 -2.317 11.762 1.00 10.00 C ATOM 527 CG LYS A 37 -4.584 -2.789 12.466 1.00 10.00 C ATOM 528 CD LYS A 37 -5.729 -1.805 12.206 1.00 10.00 C ATOM 529 CE LYS A 37 -7.065 -2.413 12.634 1.00 10.00 C ATOM 530 NZ LYS A 37 -8.082 -1.355 12.842 1.00 10.00 N ATOM 0 H LYS A 37 -1.720 -4.147 11.355 1.00 10.00 H new ATOM 0 HA LYS A 37 -4.144 -3.460 10.154 1.00 10.00 H new ATOM 0 HB2 LYS A 37 -2.435 -2.556 12.372 1.00 10.00 H new ATOM 0 HB3 LYS A 37 -3.325 -1.234 11.643 1.00 10.00 H new ATOM 0 HG2 LYS A 37 -4.859 -3.781 12.108 1.00 10.00 H new ATOM 0 HG3 LYS A 37 -4.406 -2.875 13.538 1.00 10.00 H new ATOM 0 HD2 LYS A 37 -5.552 -0.879 12.753 1.00 10.00 H new ATOM 0 HD3 LYS A 37 -5.762 -1.548 11.147 1.00 10.00 H new ATOM 0 HE2 LYS A 37 -7.412 -3.113 11.873 1.00 10.00 H new ATOM 0 HE3 LYS A 37 -6.933 -2.982 13.554 1.00 10.00 H new ATOM 0 HZ1 LYS A 37 -8.981 -1.790 13.132 1.00 10.00 H new ATOM 0 HZ2 LYS A 37 -7.758 -0.703 13.584 1.00 10.00 H new ATOM 0 HZ3 LYS A 37 -8.222 -0.829 11.956 1.00 10.00 H new ATOM 544 N ASP A 38 -3.992 -1.428 8.742 1.00 10.00 N ATOM 545 CA ASP A 38 -3.914 -0.459 7.656 1.00 10.00 C ATOM 546 C ASP A 38 -3.994 0.945 8.243 1.00 10.00 C ATOM 547 O ASP A 38 -4.880 1.238 9.053 1.00 10.00 O ATOM 548 CB ASP A 38 -5.061 -0.681 6.658 1.00 10.00 C ATOM 549 CG ASP A 38 -4.624 -0.568 5.193 1.00 10.00 C ATOM 550 OD1 ASP A 38 -3.537 0.004 4.938 1.00 10.00 O ATOM 551 OD2 ASP A 38 -5.437 -0.976 4.338 1.00 10.00 O ATOM 0 H ASP A 38 -4.943 -1.634 9.048 1.00 10.00 H new ATOM 0 HA ASP A 38 -2.971 -0.583 7.124 1.00 10.00 H new ATOM 0 HB2 ASP A 38 -5.493 -1.668 6.826 1.00 10.00 H new ATOM 0 HB3 ASP A 38 -5.848 0.048 6.852 1.00 10.00 H new ATOM 556 N VAL A 39 -3.074 1.813 7.842 1.00 10.00 N ATOM 557 CA VAL A 39 -3.020 3.202 8.291 1.00 10.00 C ATOM 558 C VAL A 39 -3.170 4.116 7.084 1.00 10.00 C ATOM 559 O VAL A 39 -2.265 4.857 6.709 1.00 10.00 O ATOM 560 CB VAL A 39 -1.745 3.430 9.121 1.00 10.00 C ATOM 561 CG1 VAL A 39 -0.458 3.483 8.274 1.00 10.00 C ATOM 562 CG2 VAL A 39 -1.914 4.688 9.986 1.00 10.00 C ATOM 0 H VAL A 39 -2.332 1.570 7.186 1.00 10.00 H new ATOM 0 HA VAL A 39 -3.846 3.443 8.960 1.00 10.00 H new ATOM 0 HB VAL A 39 -1.617 2.562 9.768 1.00 10.00 H new ATOM 0 HG11 VAL A 39 0.400 3.646 8.926 1.00 10.00 H new ATOM 0 HG12 VAL A 39 -0.334 2.540 7.741 1.00 10.00 H new ATOM 0 HG13 VAL A 39 -0.529 4.300 7.556 1.00 10.00 H new ATOM 0 HG21 VAL A 39 -1.010 4.849 10.574 1.00 10.00 H new ATOM 0 HG22 VAL A 39 -2.087 5.551 9.343 1.00 10.00 H new ATOM 0 HG23 VAL A 39 -2.764 4.558 10.656 1.00 10.00 H new ATOM 572 N LYS A 40 -4.330 4.038 6.425 1.00 10.00 N ATOM 573 CA LYS A 40 -4.577 4.862 5.244 1.00 10.00 C ATOM 574 C LYS A 40 -4.158 6.320 5.486 1.00 10.00 C ATOM 575 O LYS A 40 -4.320 6.864 6.582 1.00 10.00 O ATOM 576 CB LYS A 40 -6.049 4.772 4.849 1.00 10.00 C ATOM 577 CG LYS A 40 -6.270 5.235 3.403 1.00 10.00 C ATOM 578 CD LYS A 40 -5.833 4.163 2.391 1.00 10.00 C ATOM 579 CE LYS A 40 -4.471 4.483 1.759 1.00 10.00 C ATOM 580 NZ LYS A 40 -4.486 4.221 0.304 1.00 10.00 N ATOM 0 H LYS A 40 -5.100 3.422 6.686 1.00 10.00 H new ATOM 0 HA LYS A 40 -3.970 4.483 4.422 1.00 10.00 H new ATOM 0 HB2 LYS A 40 -6.395 3.744 4.960 1.00 10.00 H new ATOM 0 HB3 LYS A 40 -6.647 5.385 5.524 1.00 10.00 H new ATOM 0 HG2 LYS A 40 -7.324 5.470 3.253 1.00 10.00 H new ATOM 0 HG3 LYS A 40 -5.710 6.153 3.225 1.00 10.00 H new ATOM 0 HD2 LYS A 40 -5.782 3.195 2.889 1.00 10.00 H new ATOM 0 HD3 LYS A 40 -6.585 4.079 1.606 1.00 10.00 H new ATOM 0 HE2 LYS A 40 -4.218 5.528 1.941 1.00 10.00 H new ATOM 0 HE3 LYS A 40 -3.696 3.880 2.232 1.00 10.00 H new ATOM 0 HZ1 LYS A 40 -3.554 4.445 -0.099 1.00 10.00 H new ATOM 0 HZ2 LYS A 40 -4.704 3.219 0.134 1.00 10.00 H new ATOM 0 HZ3 LYS A 40 -5.210 4.815 -0.148 1.00 10.00 H new ATOM 594 N GLU A 41 -3.631 6.949 4.445 1.00 10.00 N ATOM 595 CA GLU A 41 -3.182 8.327 4.560 1.00 10.00 C ATOM 596 C GLU A 41 -4.375 9.271 4.652 1.00 10.00 C ATOM 597 O GLU A 41 -5.523 8.909 4.366 1.00 10.00 O ATOM 598 CB GLU A 41 -2.276 8.665 3.378 1.00 10.00 C ATOM 599 CG GLU A 41 -0.849 8.197 3.679 1.00 10.00 C ATOM 600 CD GLU A 41 0.020 8.306 2.425 1.00 10.00 C ATOM 601 OE1 GLU A 41 -0.008 9.395 1.815 1.00 10.00 O ATOM 602 OE2 GLU A 41 0.644 7.287 2.068 1.00 10.00 O ATOM 0 H GLU A 41 -3.505 6.532 3.522 1.00 10.00 H new ATOM 0 HA GLU A 41 -2.606 8.451 5.477 1.00 10.00 H new ATOM 0 HB2 GLU A 41 -2.645 8.182 2.473 1.00 10.00 H new ATOM 0 HB3 GLU A 41 -2.287 9.739 3.193 1.00 10.00 H new ATOM 0 HG2 GLU A 41 -0.422 8.801 4.479 1.00 10.00 H new ATOM 0 HG3 GLU A 41 -0.864 7.166 4.031 1.00 10.00 H new ATOM 609 N LYS A 42 -4.101 10.509 5.066 1.00 10.00 N ATOM 610 CA LYS A 42 -5.115 11.552 5.158 1.00 10.00 C ATOM 611 C LYS A 42 -5.617 11.892 3.754 1.00 10.00 C ATOM 612 O LYS A 42 -4.986 12.677 3.054 1.00 10.00 O ATOM 613 CB LYS A 42 -4.545 12.781 5.890 1.00 10.00 C ATOM 614 CG LYS A 42 -5.605 13.344 6.837 1.00 10.00 C ATOM 615 CD LYS A 42 -5.605 12.588 8.177 1.00 10.00 C ATOM 616 CE LYS A 42 -5.079 13.487 9.302 1.00 10.00 C ATOM 617 NZ LYS A 42 -5.809 13.236 10.566 1.00 10.00 N ATOM 0 H LYS A 42 -3.169 10.814 5.346 1.00 10.00 H new ATOM 0 HA LYS A 42 -5.966 11.200 5.741 1.00 10.00 H new ATOM 0 HB2 LYS A 42 -3.652 12.503 6.450 1.00 10.00 H new ATOM 0 HB3 LYS A 42 -4.245 13.541 5.169 1.00 10.00 H new ATOM 0 HG2 LYS A 42 -5.415 14.403 7.013 1.00 10.00 H new ATOM 0 HG3 LYS A 42 -6.589 13.269 6.373 1.00 10.00 H new ATOM 0 HD2 LYS A 42 -6.616 12.254 8.413 1.00 10.00 H new ATOM 0 HD3 LYS A 42 -4.985 11.695 8.097 1.00 10.00 H new ATOM 0 HE2 LYS A 42 -4.015 13.305 9.450 1.00 10.00 H new ATOM 0 HE3 LYS A 42 -5.187 14.534 9.017 1.00 10.00 H new ATOM 0 HZ1 LYS A 42 -5.435 13.856 11.312 1.00 10.00 H new ATOM 0 HZ2 LYS A 42 -6.821 13.433 10.427 1.00 10.00 H new ATOM 0 HZ3 LYS A 42 -5.685 12.243 10.847 1.00 10.00 H new ATOM 631 N LEU A 43 -6.712 11.250 3.347 1.00 10.00 N ATOM 632 CA LEU A 43 -7.315 11.403 2.028 1.00 10.00 C ATOM 633 C LEU A 43 -7.390 12.890 1.692 1.00 10.00 C ATOM 634 O LEU A 43 -7.875 13.693 2.494 1.00 10.00 O ATOM 635 CB LEU A 43 -8.709 10.753 1.994 1.00 10.00 C ATOM 636 CG LEU A 43 -8.716 9.222 2.211 1.00 10.00 C ATOM 637 CD1 LEU A 43 -10.123 8.764 2.627 1.00 10.00 C ATOM 638 CD2 LEU A 43 -8.206 8.479 0.964 1.00 10.00 C ATOM 0 H LEU A 43 -7.215 10.593 3.943 1.00 10.00 H new ATOM 0 HA LEU A 43 -6.703 10.898 1.280 1.00 10.00 H new ATOM 0 HB2 LEU A 43 -9.330 11.217 2.760 1.00 10.00 H new ATOM 0 HB3 LEU A 43 -9.173 10.972 1.032 1.00 10.00 H new ATOM 0 HG LEU A 43 -8.028 8.974 3.019 1.00 10.00 H new ATOM 0 HD11 LEU A 43 -10.124 7.685 2.779 1.00 10.00 H new ATOM 0 HD12 LEU A 43 -10.408 9.261 3.554 1.00 10.00 H new ATOM 0 HD13 LEU A 43 -10.836 9.021 1.843 1.00 10.00 H new ATOM 0 HD21 LEU A 43 -8.223 7.405 1.148 1.00 10.00 H new ATOM 0 HD22 LEU A 43 -8.848 8.712 0.114 1.00 10.00 H new ATOM 0 HD23 LEU A 43 -7.186 8.793 0.745 1.00 10.00 H new ATOM 650 N GLU A 44 -6.857 13.249 0.533 1.00 10.00 N ATOM 651 CA GLU A 44 -6.833 14.639 0.119 1.00 10.00 C ATOM 652 C GLU A 44 -8.172 15.017 -0.522 1.00 10.00 C ATOM 653 O GLU A 44 -8.978 14.158 -0.885 1.00 10.00 O ATOM 654 CB GLU A 44 -5.652 14.882 -0.834 1.00 10.00 C ATOM 655 CG GLU A 44 -5.035 16.260 -0.565 1.00 10.00 C ATOM 656 CD GLU A 44 -4.490 16.905 -1.835 1.00 10.00 C ATOM 657 OE1 GLU A 44 -3.318 16.631 -2.168 1.00 10.00 O ATOM 658 OE2 GLU A 44 -5.237 17.736 -2.396 1.00 10.00 O ATOM 0 H GLU A 44 -6.438 12.599 -0.132 1.00 10.00 H new ATOM 0 HA GLU A 44 -6.692 15.279 0.990 1.00 10.00 H new ATOM 0 HB2 GLU A 44 -4.900 14.105 -0.699 1.00 10.00 H new ATOM 0 HB3 GLU A 44 -5.990 14.822 -1.868 1.00 10.00 H new ATOM 0 HG2 GLU A 44 -5.787 16.913 -0.122 1.00 10.00 H new ATOM 0 HG3 GLU A 44 -4.231 16.160 0.164 1.00 10.00 H new ATOM 665 N ASN A 45 -8.402 16.317 -0.673 1.00 10.00 N ATOM 666 CA ASN A 45 -9.591 16.842 -1.328 1.00 10.00 C ATOM 667 C ASN A 45 -9.218 18.007 -2.232 1.00 10.00 C ATOM 668 O ASN A 45 -9.421 17.965 -3.442 1.00 10.00 O ATOM 669 CB ASN A 45 -10.602 17.259 -0.246 1.00 10.00 C ATOM 670 CG ASN A 45 -11.985 17.406 -0.836 1.00 10.00 C ATOM 671 OD1 ASN A 45 -12.304 18.354 -1.530 1.00 10.00 O ATOM 672 ND2 ASN A 45 -12.846 16.463 -0.547 1.00 10.00 N ATOM 0 H ASN A 45 -7.763 17.040 -0.341 1.00 10.00 H new ATOM 0 HA ASN A 45 -10.048 16.079 -1.959 1.00 10.00 H new ATOM 0 HB2 ASN A 45 -10.618 16.515 0.550 1.00 10.00 H new ATOM 0 HB3 ASN A 45 -10.292 18.201 0.205 1.00 10.00 H new ATOM 0 HD21 ASN A 45 -13.800 16.516 -0.905 1.00 10.00 H new ATOM 0 HD22 ASN A 45 -12.563 15.675 0.036 1.00 10.00 H new ATOM 679 N TYR A 46 -8.693 19.059 -1.611 1.00 10.00 N ATOM 680 CA TYR A 46 -8.356 20.290 -2.285 1.00 10.00 C ATOM 681 C TYR A 46 -7.271 21.025 -1.512 1.00 10.00 C ATOM 682 O TYR A 46 -7.159 20.901 -0.287 1.00 10.00 O ATOM 683 CB TYR A 46 -9.628 21.147 -2.370 1.00 10.00 C ATOM 684 CG TYR A 46 -9.753 21.902 -3.673 1.00 10.00 C ATOM 685 CD1 TYR A 46 -10.019 21.197 -4.862 1.00 10.00 C ATOM 686 CD2 TYR A 46 -9.633 23.301 -3.693 1.00 10.00 C ATOM 687 CE1 TYR A 46 -10.161 21.895 -6.076 1.00 10.00 C ATOM 688 CE2 TYR A 46 -9.763 24.005 -4.902 1.00 10.00 C ATOM 689 CZ TYR A 46 -10.025 23.298 -6.095 1.00 10.00 C ATOM 690 OH TYR A 46 -10.125 23.975 -7.267 1.00 10.00 O ATOM 0 H TYR A 46 -8.490 19.072 -0.611 1.00 10.00 H new ATOM 0 HA TYR A 46 -7.977 20.085 -3.286 1.00 10.00 H new ATOM 0 HB2 TYR A 46 -10.500 20.505 -2.245 1.00 10.00 H new ATOM 0 HB3 TYR A 46 -9.635 21.858 -1.544 1.00 10.00 H new ATOM 0 HD1 TYR A 46 -10.114 20.121 -4.843 1.00 10.00 H new ATOM 0 HD2 TYR A 46 -9.440 23.838 -2.776 1.00 10.00 H new ATOM 0 HE1 TYR A 46 -10.373 21.358 -6.989 1.00 10.00 H new ATOM 0 HE2 TYR A 46 -9.663 25.080 -4.918 1.00 10.00 H new ATOM 0 HH TYR A 46 -10.008 24.934 -7.102 1.00 10.00 H new ATOM 700 N LYS A 47 -6.496 21.836 -2.227 1.00 10.00 N ATOM 701 CA LYS A 47 -5.451 22.656 -1.626 1.00 10.00 C ATOM 702 C LYS A 47 -5.168 23.878 -2.507 1.00 10.00 C ATOM 703 O LYS A 47 -4.258 23.859 -3.339 1.00 10.00 O ATOM 704 CB LYS A 47 -4.223 21.776 -1.330 1.00 10.00 C ATOM 705 CG LYS A 47 -3.800 21.958 0.137 1.00 10.00 C ATOM 706 CD LYS A 47 -2.283 21.831 0.280 1.00 10.00 C ATOM 707 CE LYS A 47 -1.855 20.363 0.305 1.00 10.00 C ATOM 708 NZ LYS A 47 -2.043 19.789 1.656 1.00 10.00 N ATOM 0 H LYS A 47 -6.575 21.942 -3.238 1.00 10.00 H new ATOM 0 HA LYS A 47 -5.772 23.063 -0.667 1.00 10.00 H new ATOM 0 HB2 LYS A 47 -4.458 20.729 -1.524 1.00 10.00 H new ATOM 0 HB3 LYS A 47 -3.401 22.047 -1.992 1.00 10.00 H new ATOM 0 HG2 LYS A 47 -4.124 22.935 0.496 1.00 10.00 H new ATOM 0 HG3 LYS A 47 -4.293 21.211 0.759 1.00 10.00 H new ATOM 0 HD2 LYS A 47 -1.792 22.342 -0.548 1.00 10.00 H new ATOM 0 HD3 LYS A 47 -1.958 22.324 1.196 1.00 10.00 H new ATOM 0 HE2 LYS A 47 -2.438 19.796 -0.421 1.00 10.00 H new ATOM 0 HE3 LYS A 47 -0.809 20.278 0.010 1.00 10.00 H new ATOM 0 HZ1 LYS A 47 -1.747 18.792 1.654 1.00 10.00 H new ATOM 0 HZ2 LYS A 47 -1.468 20.319 2.342 1.00 10.00 H new ATOM 0 HZ3 LYS A 47 -3.046 19.852 1.923 1.00 10.00 H new ATOM 722 N PRO A 48 -5.999 24.921 -2.391 1.00 10.00 N ATOM 723 CA PRO A 48 -5.815 26.118 -3.178 1.00 10.00 C ATOM 724 C PRO A 48 -4.582 26.876 -2.700 1.00 10.00 C ATOM 725 O PRO A 48 -4.206 26.835 -1.532 1.00 10.00 O ATOM 726 CB PRO A 48 -7.117 26.897 -3.039 1.00 10.00 C ATOM 727 CG PRO A 48 -7.809 26.358 -1.781 1.00 10.00 C ATOM 728 CD PRO A 48 -7.091 25.056 -1.443 1.00 10.00 C ATOM 0 HA PRO A 48 -5.623 25.918 -4.232 1.00 10.00 H new ATOM 0 HB2 PRO A 48 -6.923 27.966 -2.948 1.00 10.00 H new ATOM 0 HB3 PRO A 48 -7.747 26.761 -3.918 1.00 10.00 H new ATOM 0 HG2 PRO A 48 -7.737 27.070 -0.959 1.00 10.00 H new ATOM 0 HG3 PRO A 48 -8.870 26.185 -1.961 1.00 10.00 H new ATOM 0 HD2 PRO A 48 -6.715 25.076 -0.420 1.00 10.00 H new ATOM 0 HD3 PRO A 48 -7.773 24.209 -1.515 1.00 10.00 H new ATOM 736 N LYS A 49 -3.938 27.577 -3.633 1.00 10.00 N ATOM 737 CA LYS A 49 -2.788 28.425 -3.312 1.00 10.00 C ATOM 738 C LYS A 49 -3.191 29.676 -2.525 1.00 10.00 C ATOM 739 O LYS A 49 -2.342 30.259 -1.862 1.00 10.00 O ATOM 740 CB LYS A 49 -2.031 28.784 -4.594 1.00 10.00 C ATOM 741 CG LYS A 49 -2.873 29.619 -5.581 1.00 10.00 C ATOM 742 CD LYS A 49 -2.024 30.704 -6.237 1.00 10.00 C ATOM 743 CE LYS A 49 -2.898 31.590 -7.129 1.00 10.00 C ATOM 744 NZ LYS A 49 -2.764 31.205 -8.552 1.00 10.00 N ATOM 0 H LYS A 49 -4.194 27.575 -4.620 1.00 10.00 H new ATOM 0 HA LYS A 49 -2.123 27.858 -2.661 1.00 10.00 H new ATOM 0 HB2 LYS A 49 -1.130 29.340 -4.333 1.00 10.00 H new ATOM 0 HB3 LYS A 49 -1.708 27.867 -5.087 1.00 10.00 H new ATOM 0 HG2 LYS A 49 -3.294 28.968 -6.347 1.00 10.00 H new ATOM 0 HG3 LYS A 49 -3.711 30.076 -5.055 1.00 10.00 H new ATOM 0 HD2 LYS A 49 -1.540 31.311 -5.471 1.00 10.00 H new ATOM 0 HD3 LYS A 49 -1.231 30.247 -6.830 1.00 10.00 H new ATOM 0 HE2 LYS A 49 -3.940 31.505 -6.822 1.00 10.00 H new ATOM 0 HE3 LYS A 49 -2.612 32.634 -7.002 1.00 10.00 H new ATOM 0 HZ1 LYS A 49 -3.366 31.820 -9.136 1.00 10.00 H new ATOM 0 HZ2 LYS A 49 -1.772 31.309 -8.848 1.00 10.00 H new ATOM 0 HZ3 LYS A 49 -3.059 30.215 -8.673 1.00 10.00 H new ATOM 758 N ASN A 50 -4.454 30.090 -2.643 1.00 10.00 N ATOM 759 CA ASN A 50 -5.075 31.220 -1.961 1.00 10.00 C ATOM 760 C ASN A 50 -6.260 30.783 -1.095 1.00 10.00 C ATOM 761 O ASN A 50 -6.857 29.734 -1.403 1.00 10.00 O ATOM 762 CB ASN A 50 -5.535 32.256 -3.002 1.00 10.00 C ATOM 763 CG ASN A 50 -6.753 31.812 -3.801 1.00 10.00 C ATOM 764 OD1 ASN A 50 -6.703 30.902 -4.621 1.00 10.00 O ATOM 765 ND2 ASN A 50 -7.848 32.515 -3.635 1.00 10.00 N ATOM 766 OXT ASN A 50 -6.589 31.553 -0.179 1.00 10.00 O ATOM 0 H ASN A 50 -5.111 29.611 -3.259 1.00 10.00 H new ATOM 0 HA ASN A 50 -4.333 31.664 -1.297 1.00 10.00 H new ATOM 0 HB2 ASN A 50 -5.765 33.193 -2.494 1.00 10.00 H new ATOM 0 HB3 ASN A 50 -4.713 32.459 -3.689 1.00 10.00 H new ATOM 0 HD21 ASN A 50 -8.676 32.308 -4.193 1.00 10.00 H new ATOM 0 HD22 ASN A 50 -7.871 33.268 -2.948 1.00 10.00 H new TER 773 ASN A 50