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 -86:sc= 0.279 USER MOD Set 1.2: A 30 CYS SG : rot 52:sc= -2.11 USER MOD Single : A 1 ASP N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ -126:sc= 0.24 (180deg=0) USER MOD Single : A 9 TYR OH : rot 151:sc= -0.178 USER MOD Single : A 11 THR OG1 : rot 93:sc= 0.732 USER MOD Single : A 13 HIS : no HD1:sc= -2.06! C(o=-2.1!,f=-6.3!) 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= -3.52 K(o=-3.5,f=-6.2!) USER MOD Single : A 24 THR OG1 : rot 70:sc= 1.05 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 121:sc= 0.0952 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= -0.0645 K(o=-0.065,f=-0.63) 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) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 1.334 0.000 0.005 1.00 10.00 N ATOM 2 CA ASP A 1 2.115 0.005 -1.240 1.00 10.00 C ATOM 3 C ASP A 1 1.448 -0.964 -2.186 1.00 10.00 C ATOM 4 O ASP A 1 1.383 -2.148 -1.874 1.00 10.00 O ATOM 5 CB ASP A 1 3.571 -0.409 -0.964 1.00 10.00 C ATOM 6 CG ASP A 1 4.519 0.540 -1.673 1.00 10.00 C ATOM 7 OD1 ASP A 1 4.604 0.393 -2.907 1.00 10.00 O ATOM 8 OD2 ASP A 1 5.019 1.442 -0.978 1.00 10.00 O ATOM 0 H1 ASP A 1 1.763 0.658 0.686 1.00 10.00 H new ATOM 0 H2 ASP A 1 0.358 0.297 -0.196 1.00 10.00 H new ATOM 0 H3 ASP A 1 1.328 -0.959 0.407 1.00 10.00 H new ATOM 0 HA ASP A 1 2.144 1.003 -1.677 1.00 10.00 H new ATOM 0 HB2 ASP A 1 3.765 -0.397 0.109 1.00 10.00 H new ATOM 0 HB3 ASP A 1 3.740 -1.430 -1.307 1.00 10.00 H new ATOM 15 N GLU A 2 0.893 -0.477 -3.294 1.00 10.00 N ATOM 16 CA GLU A 2 0.318 -1.378 -4.301 1.00 10.00 C ATOM 17 C GLU A 2 1.361 -2.344 -4.854 1.00 10.00 C ATOM 18 O GLU A 2 1.015 -3.450 -5.246 1.00 10.00 O ATOM 19 CB GLU A 2 -0.284 -0.573 -5.452 1.00 10.00 C ATOM 20 CG GLU A 2 -1.797 -0.757 -5.519 1.00 10.00 C ATOM 21 CD GLU A 2 -2.346 0.103 -6.663 1.00 10.00 C ATOM 22 OE1 GLU A 2 -2.618 1.290 -6.385 1.00 10.00 O ATOM 23 OE2 GLU A 2 -2.383 -0.418 -7.814 1.00 10.00 O ATOM 0 H GLU A 2 0.827 0.516 -3.519 1.00 10.00 H new ATOM 0 HA GLU A 2 -0.462 -1.959 -3.809 1.00 10.00 H new ATOM 0 HB2 GLU A 2 -0.048 0.483 -5.323 1.00 10.00 H new ATOM 0 HB3 GLU A 2 0.166 -0.887 -6.394 1.00 10.00 H new ATOM 0 HG2 GLU A 2 -2.043 -1.806 -5.683 1.00 10.00 H new ATOM 0 HG3 GLU A 2 -2.255 -0.466 -4.574 1.00 10.00 H new ATOM 30 N ALA A 3 2.640 -1.946 -4.861 1.00 10.00 N ATOM 31 CA ALA A 3 3.732 -2.803 -5.315 1.00 10.00 C ATOM 32 C ALA A 3 3.786 -4.128 -4.559 1.00 10.00 C ATOM 33 O ALA A 3 3.841 -5.182 -5.170 1.00 10.00 O ATOM 34 CB ALA A 3 5.065 -2.069 -5.160 1.00 10.00 C ATOM 0 H ALA A 3 2.942 -1.022 -4.552 1.00 10.00 H new ATOM 0 HA ALA A 3 3.548 -3.033 -6.364 1.00 10.00 H new ATOM 0 HB1 ALA A 3 5.876 -2.713 -5.500 1.00 10.00 H new ATOM 0 HB2 ALA A 3 5.050 -1.157 -5.758 1.00 10.00 H new ATOM 0 HB3 ALA A 3 5.220 -1.813 -4.112 1.00 10.00 H new ATOM 40 N GLN A 4 3.728 -4.083 -3.226 1.00 10.00 N ATOM 41 CA GLN A 4 3.668 -5.280 -2.381 1.00 10.00 C ATOM 42 C GLN A 4 2.654 -6.324 -2.884 1.00 10.00 C ATOM 43 O GLN A 4 2.831 -7.527 -2.730 1.00 10.00 O ATOM 44 CB GLN A 4 3.349 -4.877 -0.931 1.00 10.00 C ATOM 45 CG GLN A 4 4.576 -4.965 -0.017 1.00 10.00 C ATOM 46 CD GLN A 4 4.530 -6.227 0.836 1.00 10.00 C ATOM 47 OE1 GLN A 4 4.848 -7.329 0.431 1.00 10.00 O ATOM 48 NE2 GLN A 4 4.087 -6.085 2.068 1.00 10.00 N ATOM 0 H GLN A 4 3.721 -3.210 -2.698 1.00 10.00 H new ATOM 0 HA GLN A 4 4.648 -5.755 -2.428 1.00 10.00 H new ATOM 0 HB2 GLN A 4 2.961 -3.858 -0.917 1.00 10.00 H new ATOM 0 HB3 GLN A 4 2.562 -5.523 -0.542 1.00 10.00 H new ATOM 0 HG2 GLN A 4 5.484 -4.962 -0.620 1.00 10.00 H new ATOM 0 HG3 GLN A 4 4.618 -4.087 0.628 1.00 10.00 H new ATOM 0 HE21 GLN A 4 3.820 -5.162 2.411 1.00 10.00 H new ATOM 0 HE22 GLN A 4 4.011 -6.898 2.680 1.00 10.00 H new ATOM 57 N PHE A 5 1.568 -5.856 -3.502 1.00 10.00 N ATOM 58 CA PHE A 5 0.528 -6.678 -4.114 1.00 10.00 C ATOM 59 C PHE A 5 0.885 -6.950 -5.571 1.00 10.00 C ATOM 60 O PHE A 5 0.728 -8.070 -6.026 1.00 10.00 O ATOM 61 CB PHE A 5 -0.742 -5.858 -4.081 1.00 10.00 C ATOM 62 CG PHE A 5 -1.926 -6.677 -4.461 1.00 10.00 C ATOM 63 CD1 PHE A 5 -2.249 -6.902 -5.812 1.00 10.00 C ATOM 64 CD2 PHE A 5 -2.698 -7.213 -3.436 1.00 10.00 C ATOM 65 CE1 PHE A 5 -3.377 -7.664 -6.133 1.00 10.00 C ATOM 66 CE2 PHE A 5 -3.832 -7.949 -3.760 1.00 10.00 C ATOM 67 CZ PHE A 5 -4.155 -8.200 -5.103 1.00 10.00 C ATOM 0 H PHE A 5 1.384 -4.857 -3.592 1.00 10.00 H new ATOM 0 HA PHE A 5 0.419 -7.626 -3.587 1.00 10.00 H new ATOM 0 HB2 PHE A 5 -0.887 -5.448 -3.081 1.00 10.00 H new ATOM 0 HB3 PHE A 5 -0.649 -5.012 -4.762 1.00 10.00 H new ATOM 0 HD1 PHE A 5 -1.630 -6.489 -6.595 1.00 10.00 H new ATOM 0 HD2 PHE A 5 -2.421 -7.060 -2.404 1.00 10.00 H new ATOM 0 HE1 PHE A 5 -3.644 -7.836 -7.165 1.00 10.00 H new ATOM 0 HE2 PHE A 5 -4.468 -8.330 -2.974 1.00 10.00 H new ATOM 0 HZ PHE A 5 -5.012 -8.812 -5.342 1.00 10.00 H new ATOM 77 N LYS A 6 1.374 -5.952 -6.329 1.00 10.00 N ATOM 78 CA LYS A 6 1.785 -6.111 -7.736 1.00 10.00 C ATOM 79 C LYS A 6 2.858 -7.175 -7.871 1.00 10.00 C ATOM 80 O LYS A 6 2.886 -7.878 -8.867 1.00 10.00 O ATOM 81 CB LYS A 6 2.263 -4.772 -8.336 1.00 10.00 C ATOM 82 CG LYS A 6 1.609 -4.534 -9.702 1.00 10.00 C ATOM 83 CD LYS A 6 0.209 -3.921 -9.545 1.00 10.00 C ATOM 84 CE LYS A 6 0.274 -2.389 -9.545 1.00 10.00 C ATOM 85 NZ LYS A 6 -0.909 -1.794 -10.216 1.00 10.00 N ATOM 0 H LYS A 6 1.496 -5.002 -5.978 1.00 10.00 H new ATOM 0 HA LYS A 6 0.911 -6.436 -8.300 1.00 10.00 H new ATOM 0 HB2 LYS A 6 2.015 -3.954 -7.660 1.00 10.00 H new ATOM 0 HB3 LYS A 6 3.348 -4.780 -8.442 1.00 10.00 H new ATOM 0 HG2 LYS A 6 2.235 -3.870 -10.298 1.00 10.00 H new ATOM 0 HG3 LYS A 6 1.538 -5.477 -10.244 1.00 10.00 H new ATOM 0 HD2 LYS A 6 -0.433 -4.261 -10.357 1.00 10.00 H new ATOM 0 HD3 LYS A 6 -0.242 -4.269 -8.615 1.00 10.00 H new ATOM 0 HE2 LYS A 6 0.332 -2.026 -8.519 1.00 10.00 H new ATOM 0 HE3 LYS A 6 1.183 -2.062 -10.050 1.00 10.00 H new ATOM 0 HZ1 LYS A 6 -0.593 -1.143 -10.964 1.00 10.00 H new ATOM 0 HZ2 LYS A 6 -1.487 -2.550 -10.636 1.00 10.00 H new ATOM 0 HZ3 LYS A 6 -1.477 -1.271 -9.519 1.00 10.00 H new ATOM 99 N GLU A 7 3.676 -7.335 -6.837 1.00 10.00 N ATOM 100 CA GLU A 7 4.662 -8.396 -6.757 1.00 10.00 C ATOM 101 C GLU A 7 4.033 -9.734 -6.434 1.00 10.00 C ATOM 102 O GLU A 7 4.403 -10.734 -7.027 1.00 10.00 O ATOM 103 CB GLU A 7 5.742 -8.065 -5.727 1.00 10.00 C ATOM 104 CG GLU A 7 6.638 -6.911 -6.201 1.00 10.00 C ATOM 105 CD GLU A 7 8.087 -7.074 -5.722 1.00 10.00 C ATOM 106 OE1 GLU A 7 8.266 -7.347 -4.512 1.00 10.00 O ATOM 107 OE2 GLU A 7 8.994 -6.931 -6.575 1.00 10.00 O ATOM 0 H GLU A 7 3.670 -6.721 -6.022 1.00 10.00 H new ATOM 0 HA GLU A 7 5.122 -8.472 -7.742 1.00 10.00 H new ATOM 0 HB2 GLU A 7 5.273 -7.798 -4.780 1.00 10.00 H new ATOM 0 HB3 GLU A 7 6.353 -8.949 -5.542 1.00 10.00 H new ATOM 0 HG2 GLU A 7 6.620 -6.861 -7.290 1.00 10.00 H new ATOM 0 HG3 GLU A 7 6.238 -5.966 -5.832 1.00 10.00 H new ATOM 114 N CYS A 8 3.024 -9.745 -5.561 1.00 10.00 N ATOM 115 CA CYS A 8 2.311 -10.980 -5.286 1.00 10.00 C ATOM 116 C CYS A 8 1.513 -11.431 -6.490 1.00 10.00 C ATOM 117 O CYS A 8 1.545 -12.586 -6.831 1.00 10.00 O ATOM 118 CB CYS A 8 1.385 -10.797 -4.090 1.00 10.00 C ATOM 119 SG CYS A 8 1.251 -12.289 -3.057 1.00 10.00 S ATOM 0 H CYS A 8 2.692 -8.929 -5.046 1.00 10.00 H new ATOM 0 HA CYS A 8 3.048 -11.750 -5.057 1.00 10.00 H new ATOM 0 HB2 CYS A 8 1.749 -9.971 -3.479 1.00 10.00 H new ATOM 0 HB3 CYS A 8 0.393 -10.518 -4.445 1.00 10.00 H new ATOM 124 N TYR A 9 0.810 -10.531 -7.156 1.00 10.00 N ATOM 125 CA TYR A 9 0.043 -10.830 -8.352 1.00 10.00 C ATOM 126 C TYR A 9 0.916 -11.352 -9.488 1.00 10.00 C ATOM 127 O TYR A 9 0.629 -12.402 -10.058 1.00 10.00 O ATOM 128 CB TYR A 9 -0.645 -9.538 -8.794 1.00 10.00 C ATOM 129 CG TYR A 9 -1.791 -9.749 -9.756 1.00 10.00 C ATOM 130 CD1 TYR A 9 -1.552 -9.942 -11.129 1.00 10.00 C ATOM 131 CD2 TYR A 9 -3.103 -9.722 -9.264 1.00 10.00 C ATOM 132 CE1 TYR A 9 -2.636 -10.084 -12.016 1.00 10.00 C ATOM 133 CE2 TYR A 9 -4.179 -9.848 -10.148 1.00 10.00 C ATOM 134 CZ TYR A 9 -3.958 -10.037 -11.514 1.00 10.00 C ATOM 135 OH TYR A 9 -5.046 -10.184 -12.309 1.00 10.00 O ATOM 0 H TYR A 9 0.756 -9.552 -6.874 1.00 10.00 H new ATOM 0 HA TYR A 9 -0.677 -11.614 -8.119 1.00 10.00 H new ATOM 0 HB2 TYR A 9 -1.016 -9.016 -7.912 1.00 10.00 H new ATOM 0 HB3 TYR A 9 0.094 -8.887 -9.262 1.00 10.00 H new ATOM 0 HD1 TYR A 9 -0.539 -9.981 -11.502 1.00 10.00 H new ATOM 0 HD2 TYR A 9 -3.282 -9.604 -8.206 1.00 10.00 H new ATOM 0 HE1 TYR A 9 -2.460 -10.228 -13.072 1.00 10.00 H new ATOM 0 HE2 TYR A 9 -5.190 -9.799 -9.771 1.00 10.00 H new ATOM 0 HH TYR A 9 -5.780 -10.575 -11.790 1.00 10.00 H new ATOM 145 N ASP A 10 1.984 -10.621 -9.816 1.00 10.00 N ATOM 146 CA ASP A 10 2.930 -10.980 -10.873 1.00 10.00 C ATOM 147 C ASP A 10 3.596 -12.320 -10.558 1.00 10.00 C ATOM 148 O ASP A 10 3.569 -13.273 -11.347 1.00 10.00 O ATOM 149 CB ASP A 10 4.007 -9.891 -11.022 1.00 10.00 C ATOM 150 CG ASP A 10 4.588 -9.861 -12.439 1.00 10.00 C ATOM 151 OD1 ASP A 10 3.924 -9.238 -13.297 1.00 10.00 O ATOM 152 OD2 ASP A 10 5.624 -10.527 -12.684 1.00 10.00 O ATOM 0 H ASP A 10 2.219 -9.747 -9.345 1.00 10.00 H new ATOM 0 HA ASP A 10 2.379 -11.066 -11.810 1.00 10.00 H new ATOM 0 HB2 ASP A 10 3.577 -8.918 -10.784 1.00 10.00 H new ATOM 0 HB3 ASP A 10 4.807 -10.070 -10.304 1.00 10.00 H new ATOM 157 N THR A 11 4.171 -12.402 -9.359 1.00 10.00 N ATOM 158 CA THR A 11 4.873 -13.581 -8.861 1.00 10.00 C ATOM 159 C THR A 11 3.918 -14.747 -8.705 1.00 10.00 C ATOM 160 O THR A 11 4.220 -15.855 -9.150 1.00 10.00 O ATOM 161 CB THR A 11 5.580 -13.275 -7.541 1.00 10.00 C ATOM 162 OG1 THR A 11 6.522 -12.254 -7.800 1.00 10.00 O ATOM 163 CG2 THR A 11 6.432 -14.406 -6.997 1.00 10.00 C ATOM 0 H THR A 11 4.161 -11.631 -8.692 1.00 10.00 H new ATOM 0 HA THR A 11 5.632 -13.860 -9.592 1.00 10.00 H new ATOM 0 HB THR A 11 4.788 -13.044 -6.829 1.00 10.00 H new ATOM 0 HG1 THR A 11 6.114 -11.380 -7.624 1.00 10.00 H new ATOM 0 HG21 THR A 11 6.893 -14.096 -6.059 1.00 10.00 H new ATOM 0 HG22 THR A 11 5.806 -15.281 -6.822 1.00 10.00 H new ATOM 0 HG23 THR A 11 7.210 -14.655 -7.719 1.00 10.00 H new ATOM 171 N CYS A 12 2.738 -14.504 -8.124 1.00 10.00 N ATOM 172 CA CYS A 12 1.693 -15.519 -8.019 1.00 10.00 C ATOM 173 C CYS A 12 1.383 -16.041 -9.410 1.00 10.00 C ATOM 174 O CYS A 12 1.408 -17.241 -9.636 1.00 10.00 O ATOM 175 CB CYS A 12 0.422 -15.005 -7.330 1.00 10.00 C ATOM 176 SG CYS A 12 -0.842 -16.261 -7.045 1.00 10.00 S ATOM 0 H CYS A 12 2.485 -13.604 -7.717 1.00 10.00 H new ATOM 0 HA CYS A 12 2.065 -16.324 -7.386 1.00 10.00 H new ATOM 0 HB2 CYS A 12 0.698 -14.563 -6.373 1.00 10.00 H new ATOM 0 HB3 CYS A 12 -0.007 -14.208 -7.937 1.00 10.00 H new ATOM 0 HG CYS A 12 -1.592 -16.370 -8.101 1.00 10.00 H new ATOM 181 N HIS A 13 1.182 -15.143 -10.389 1.00 10.00 N ATOM 182 CA HIS A 13 0.952 -15.522 -11.783 1.00 10.00 C ATOM 183 C HIS A 13 2.000 -16.479 -12.310 1.00 10.00 C ATOM 184 O HIS A 13 1.668 -17.365 -13.081 1.00 10.00 O ATOM 185 CB HIS A 13 0.892 -14.295 -12.682 1.00 10.00 C ATOM 186 CG HIS A 13 0.013 -14.516 -13.867 1.00 10.00 C ATOM 187 ND1 HIS A 13 0.464 -14.752 -15.143 1.00 10.00 N ATOM 188 CD2 HIS A 13 -1.351 -14.448 -13.887 1.00 10.00 C ATOM 189 CE1 HIS A 13 -0.606 -14.818 -15.937 1.00 10.00 C ATOM 190 NE2 HIS A 13 -1.720 -14.624 -15.203 1.00 10.00 N ATOM 0 H HIS A 13 1.175 -14.135 -10.231 1.00 10.00 H new ATOM 0 HA HIS A 13 -0.009 -16.036 -11.800 1.00 10.00 H new ATOM 0 HB2 HIS A 13 0.523 -13.444 -12.110 1.00 10.00 H new ATOM 0 HB3 HIS A 13 1.897 -14.042 -13.018 1.00 10.00 H new ATOM 0 HD2 HIS A 13 -2.007 -14.289 -13.044 1.00 10.00 H new ATOM 0 HE1 HIS A 13 -0.583 -14.999 -17.002 1.00 10.00 H new ATOM 0 HE2 HIS A 13 -2.675 -14.610 -15.561 1.00 10.00 H new ATOM 199 N LYS A 14 3.266 -16.261 -11.955 1.00 10.00 N ATOM 200 CA LYS A 14 4.346 -17.192 -12.286 1.00 10.00 C ATOM 201 C LYS A 14 4.022 -18.616 -11.846 1.00 10.00 C ATOM 202 O LYS A 14 3.809 -19.463 -12.706 1.00 10.00 O ATOM 203 CB LYS A 14 5.686 -16.710 -11.699 1.00 10.00 C ATOM 204 CG LYS A 14 6.677 -16.381 -12.809 1.00 10.00 C ATOM 205 CD LYS A 14 6.601 -14.884 -13.141 1.00 10.00 C ATOM 206 CE LYS A 14 6.969 -14.642 -14.600 1.00 10.00 C ATOM 207 NZ LYS A 14 5.751 -14.444 -15.418 1.00 10.00 N ATOM 0 H LYS A 14 3.571 -15.440 -11.433 1.00 10.00 H new ATOM 0 HA LYS A 14 4.443 -17.211 -13.371 1.00 10.00 H new ATOM 0 HB2 LYS A 14 5.521 -15.828 -11.080 1.00 10.00 H new ATOM 0 HB3 LYS A 14 6.102 -17.481 -11.051 1.00 10.00 H new ATOM 0 HG2 LYS A 14 7.688 -16.644 -12.497 1.00 10.00 H new ATOM 0 HG3 LYS A 14 6.453 -16.972 -13.697 1.00 10.00 H new ATOM 0 HD2 LYS A 14 5.595 -14.513 -12.947 1.00 10.00 H new ATOM 0 HD3 LYS A 14 7.277 -14.327 -12.492 1.00 10.00 H new ATOM 0 HE2 LYS A 14 7.613 -13.766 -14.678 1.00 10.00 H new ATOM 0 HE3 LYS A 14 7.537 -15.490 -14.983 1.00 10.00 H new ATOM 0 HZ1 LYS A 14 6.021 -14.281 -16.409 1.00 10.00 H new ATOM 0 HZ2 LYS A 14 5.151 -15.291 -15.358 1.00 10.00 H new ATOM 0 HZ3 LYS A 14 5.224 -13.621 -15.063 1.00 10.00 H new ATOM 221 N GLU A 15 3.945 -18.862 -10.542 1.00 10.00 N ATOM 222 CA GLU A 15 3.551 -20.169 -9.991 1.00 10.00 C ATOM 223 C GLU A 15 2.097 -20.541 -10.348 1.00 10.00 C ATOM 224 O GLU A 15 1.642 -21.664 -10.154 1.00 10.00 O ATOM 225 CB GLU A 15 3.733 -20.167 -8.470 1.00 10.00 C ATOM 226 CG GLU A 15 3.940 -21.593 -7.950 1.00 10.00 C ATOM 227 CD GLU A 15 4.482 -21.586 -6.520 1.00 10.00 C ATOM 228 OE1 GLU A 15 5.695 -21.299 -6.379 1.00 10.00 O ATOM 229 OE2 GLU A 15 3.689 -21.850 -5.587 1.00 10.00 O ATOM 0 H GLU A 15 4.153 -18.163 -9.829 1.00 10.00 H new ATOM 0 HA GLU A 15 4.197 -20.922 -10.441 1.00 10.00 H new ATOM 0 HB2 GLU A 15 4.589 -19.548 -8.202 1.00 10.00 H new ATOM 0 HB3 GLU A 15 2.858 -19.724 -7.994 1.00 10.00 H new ATOM 0 HG2 GLU A 15 2.995 -22.135 -7.981 1.00 10.00 H new ATOM 0 HG3 GLU A 15 4.634 -22.124 -8.602 1.00 10.00 H new ATOM 236 N CYS A 16 1.342 -19.587 -10.906 1.00 10.00 N ATOM 237 CA CYS A 16 -0.030 -19.800 -11.327 1.00 10.00 C ATOM 238 C CYS A 16 -0.059 -20.413 -12.722 1.00 10.00 C ATOM 239 O CYS A 16 -0.574 -21.501 -12.909 1.00 10.00 O ATOM 240 CB CYS A 16 -0.834 -18.500 -11.311 1.00 10.00 C ATOM 241 SG CYS A 16 -2.638 -18.719 -11.371 1.00 10.00 S ATOM 0 H CYS A 16 1.679 -18.639 -11.076 1.00 10.00 H new ATOM 0 HA CYS A 16 -0.492 -20.487 -10.618 1.00 10.00 H new ATOM 0 HB2 CYS A 16 -0.579 -17.943 -10.409 1.00 10.00 H new ATOM 0 HB3 CYS A 16 -0.528 -17.889 -12.160 1.00 10.00 H new ATOM 246 N SER A 17 0.472 -19.697 -13.722 1.00 10.00 N ATOM 247 CA SER A 17 0.627 -20.177 -15.102 1.00 10.00 C ATOM 248 C SER A 17 1.324 -21.542 -15.160 1.00 10.00 C ATOM 249 O SER A 17 1.142 -22.275 -16.126 1.00 10.00 O ATOM 250 CB SER A 17 1.460 -19.193 -15.936 1.00 10.00 C ATOM 251 OG SER A 17 0.859 -18.804 -17.157 1.00 10.00 O ATOM 0 H SER A 17 0.814 -18.745 -13.591 1.00 10.00 H new ATOM 0 HA SER A 17 -0.381 -20.265 -15.507 1.00 10.00 H new ATOM 0 HB2 SER A 17 1.651 -18.301 -15.339 1.00 10.00 H new ATOM 0 HB3 SER A 17 2.428 -19.646 -16.150 1.00 10.00 H new ATOM 0 HG SER A 17 1.449 -18.178 -17.627 1.00 10.00 H new ATOM 257 N ASP A 18 2.123 -21.878 -14.135 1.00 10.00 N ATOM 258 CA ASP A 18 2.722 -23.208 -13.946 1.00 10.00 C ATOM 259 C ASP A 18 1.658 -24.302 -14.016 1.00 10.00 C ATOM 260 O ASP A 18 1.895 -25.386 -14.550 1.00 10.00 O ATOM 261 CB ASP A 18 3.437 -23.282 -12.588 1.00 10.00 C ATOM 262 CG ASP A 18 3.630 -24.732 -12.097 1.00 10.00 C ATOM 263 OD1 ASP A 18 4.487 -25.428 -12.686 1.00 10.00 O ATOM 264 OD2 ASP A 18 2.880 -25.143 -11.180 1.00 10.00 O ATOM 0 H ASP A 18 2.376 -21.218 -13.399 1.00 10.00 H new ATOM 0 HA ASP A 18 3.443 -23.366 -14.748 1.00 10.00 H new ATOM 0 HB2 ASP A 18 4.410 -22.797 -12.667 1.00 10.00 H new ATOM 0 HB3 ASP A 18 2.862 -22.725 -11.848 1.00 10.00 H new ATOM 269 N LYS A 19 0.425 -24.003 -13.567 1.00 10.00 N ATOM 270 CA LYS A 19 -0.694 -24.938 -13.657 1.00 10.00 C ATOM 271 C LYS A 19 -1.031 -25.309 -15.098 1.00 10.00 C ATOM 272 O LYS A 19 -1.863 -26.193 -15.323 1.00 10.00 O ATOM 273 CB LYS A 19 -1.909 -24.359 -12.918 1.00 10.00 C ATOM 274 CG LYS A 19 -2.131 -25.047 -11.575 1.00 10.00 C ATOM 275 CD LYS A 19 -3.457 -25.807 -11.594 1.00 10.00 C ATOM 276 CE LYS A 19 -3.500 -26.808 -10.439 1.00 10.00 C ATOM 277 NZ LYS A 19 -3.329 -28.195 -10.936 1.00 10.00 N ATOM 0 H LYS A 19 0.185 -23.110 -13.136 1.00 10.00 H new ATOM 0 HA LYS A 19 -0.398 -25.869 -13.174 1.00 10.00 H new ATOM 0 HB2 LYS A 19 -1.764 -23.290 -12.760 1.00 10.00 H new ATOM 0 HB3 LYS A 19 -2.799 -24.472 -13.537 1.00 10.00 H new ATOM 0 HG2 LYS A 19 -1.311 -25.734 -11.368 1.00 10.00 H new ATOM 0 HG3 LYS A 19 -2.137 -24.308 -10.774 1.00 10.00 H new ATOM 0 HD2 LYS A 19 -4.288 -25.107 -11.511 1.00 10.00 H new ATOM 0 HD3 LYS A 19 -3.573 -26.329 -12.544 1.00 10.00 H new ATOM 0 HE2 LYS A 19 -2.714 -26.575 -9.721 1.00 10.00 H new ATOM 0 HE3 LYS A 19 -4.450 -26.721 -9.912 1.00 10.00 H new ATOM 0 HZ1 LYS A 19 -3.362 -28.857 -10.135 1.00 10.00 H new ATOM 0 HZ2 LYS A 19 -4.094 -28.421 -11.604 1.00 10.00 H new ATOM 0 HZ3 LYS A 19 -2.412 -28.280 -11.419 1.00 10.00 H new ATOM 291 N GLY A 20 -0.427 -24.595 -16.053 1.00 10.00 N ATOM 292 CA GLY A 20 -0.607 -24.764 -17.491 1.00 10.00 C ATOM 293 C GLY A 20 -1.877 -24.075 -17.984 1.00 10.00 C ATOM 294 O GLY A 20 -2.294 -24.245 -19.128 1.00 10.00 O ATOM 0 H GLY A 20 0.231 -23.849 -15.829 1.00 10.00 H new ATOM 0 HA2 GLY A 20 0.256 -24.356 -18.017 1.00 10.00 H new ATOM 0 HA3 GLY A 20 -0.653 -25.826 -17.730 1.00 10.00 H new ATOM 298 N ASN A 21 -2.523 -23.298 -17.113 1.00 10.00 N ATOM 299 CA ASN A 21 -3.694 -22.509 -17.446 1.00 10.00 C ATOM 300 C ASN A 21 -3.305 -21.253 -18.242 1.00 10.00 C ATOM 301 O ASN A 21 -2.140 -20.957 -18.515 1.00 10.00 O ATOM 302 CB ASN A 21 -4.461 -22.154 -16.160 1.00 10.00 C ATOM 303 CG ASN A 21 -3.555 -21.604 -15.085 1.00 10.00 C ATOM 304 OD1 ASN A 21 -2.535 -20.999 -15.338 1.00 10.00 O ATOM 305 ND2 ASN A 21 -3.926 -21.822 -13.847 1.00 10.00 N ATOM 0 H ASN A 21 -2.235 -23.203 -16.139 1.00 10.00 H new ATOM 0 HA ASN A 21 -4.351 -23.098 -18.086 1.00 10.00 H new ATOM 0 HB2 ASN A 21 -5.233 -21.420 -16.391 1.00 10.00 H new ATOM 0 HB3 ASN A 21 -4.968 -23.043 -15.785 1.00 10.00 H new ATOM 0 HD21 ASN A 21 -3.353 -21.481 -13.075 1.00 10.00 H new ATOM 0 HD22 ASN A 21 -4.788 -22.333 -13.655 1.00 10.00 H new ATOM 312 N GLY A 22 -4.334 -20.487 -18.608 1.00 10.00 N ATOM 313 CA GLY A 22 -4.144 -19.217 -19.286 1.00 10.00 C ATOM 314 C GLY A 22 -3.842 -18.099 -18.309 1.00 10.00 C ATOM 315 O GLY A 22 -4.281 -18.117 -17.155 1.00 10.00 O ATOM 0 H GLY A 22 -5.310 -20.732 -18.442 1.00 10.00 H new ATOM 0 HA2 GLY A 22 -3.327 -19.305 -20.002 1.00 10.00 H new ATOM 0 HA3 GLY A 22 -5.041 -18.971 -19.855 1.00 10.00 H new ATOM 319 N PHE A 23 -3.156 -17.079 -18.826 1.00 10.00 N ATOM 320 CA PHE A 23 -2.836 -15.886 -18.074 1.00 10.00 C ATOM 321 C PHE A 23 -4.086 -15.259 -17.492 1.00 10.00 C ATOM 322 O PHE A 23 -4.142 -15.082 -16.290 1.00 10.00 O ATOM 323 CB PHE A 23 -2.068 -14.903 -18.973 1.00 10.00 C ATOM 324 CG PHE A 23 -2.809 -14.526 -20.242 1.00 10.00 C ATOM 325 CD1 PHE A 23 -3.685 -13.426 -20.252 1.00 10.00 C ATOM 326 CD2 PHE A 23 -2.683 -15.332 -21.382 1.00 10.00 C ATOM 327 CE1 PHE A 23 -4.434 -13.140 -21.398 1.00 10.00 C ATOM 328 CE2 PHE A 23 -3.423 -15.037 -22.533 1.00 10.00 C ATOM 329 CZ PHE A 23 -4.295 -13.939 -22.539 1.00 10.00 C ATOM 0 H PHE A 23 -2.809 -17.067 -19.785 1.00 10.00 H new ATOM 0 HA PHE A 23 -2.197 -16.153 -17.232 1.00 10.00 H new ATOM 0 HB2 PHE A 23 -1.854 -13.997 -18.405 1.00 10.00 H new ATOM 0 HB3 PHE A 23 -1.108 -15.345 -19.241 1.00 10.00 H new ATOM 0 HD1 PHE A 23 -3.779 -12.802 -19.375 1.00 10.00 H new ATOM 0 HD2 PHE A 23 -2.015 -16.181 -21.372 1.00 10.00 H new ATOM 0 HE1 PHE A 23 -5.118 -12.304 -21.403 1.00 10.00 H new ATOM 0 HE2 PHE A 23 -3.323 -15.653 -23.414 1.00 10.00 H new ATOM 0 HZ PHE A 23 -4.862 -13.708 -23.429 1.00 10.00 H new ATOM 339 N THR A 24 -5.089 -15.009 -18.326 1.00 10.00 N ATOM 340 CA THR A 24 -6.315 -14.316 -17.928 1.00 10.00 C ATOM 341 C THR A 24 -6.978 -14.982 -16.727 1.00 10.00 C ATOM 342 O THR A 24 -7.203 -14.375 -15.682 1.00 10.00 O ATOM 343 CB THR A 24 -7.260 -14.242 -19.136 1.00 10.00 C ATOM 344 OG1 THR A 24 -7.115 -12.974 -19.709 1.00 10.00 O ATOM 345 CG2 THR A 24 -8.742 -14.441 -18.803 1.00 10.00 C ATOM 0 H THR A 24 -5.077 -15.283 -19.308 1.00 10.00 H new ATOM 0 HA THR A 24 -6.066 -13.304 -17.610 1.00 10.00 H new ATOM 0 HB THR A 24 -6.982 -15.058 -19.802 1.00 10.00 H new ATOM 0 HG1 THR A 24 -6.232 -12.904 -20.129 1.00 10.00 H new ATOM 0 HG21 THR A 24 -9.333 -14.372 -19.717 1.00 10.00 H new ATOM 0 HG22 THR A 24 -8.885 -15.423 -18.352 1.00 10.00 H new ATOM 0 HG23 THR A 24 -9.065 -13.670 -18.104 1.00 10.00 H new ATOM 353 N PHE A 25 -7.317 -16.261 -16.902 1.00 10.00 N ATOM 354 CA PHE A 25 -7.901 -17.059 -15.844 1.00 10.00 C ATOM 355 C PHE A 25 -7.059 -16.983 -14.576 1.00 10.00 C ATOM 356 O PHE A 25 -7.581 -16.742 -13.493 1.00 10.00 O ATOM 357 CB PHE A 25 -7.986 -18.500 -16.330 1.00 10.00 C ATOM 358 CG PHE A 25 -8.223 -19.498 -15.215 1.00 10.00 C ATOM 359 CD1 PHE A 25 -9.514 -19.674 -14.699 1.00 10.00 C ATOM 360 CD2 PHE A 25 -7.141 -20.199 -14.657 1.00 10.00 C ATOM 361 CE1 PHE A 25 -9.732 -20.589 -13.660 1.00 10.00 C ATOM 362 CE2 PHE A 25 -7.360 -21.118 -13.623 1.00 10.00 C ATOM 363 CZ PHE A 25 -8.656 -21.315 -13.131 1.00 10.00 C ATOM 0 H PHE A 25 -7.191 -16.763 -17.781 1.00 10.00 H new ATOM 0 HA PHE A 25 -8.894 -16.678 -15.604 1.00 10.00 H new ATOM 0 HB2 PHE A 25 -8.792 -18.583 -17.059 1.00 10.00 H new ATOM 0 HB3 PHE A 25 -7.061 -18.757 -16.847 1.00 10.00 H new ATOM 0 HD1 PHE A 25 -10.339 -19.106 -15.101 1.00 10.00 H new ATOM 0 HD2 PHE A 25 -6.140 -20.029 -15.025 1.00 10.00 H new ATOM 0 HE1 PHE A 25 -10.728 -20.734 -13.268 1.00 10.00 H new ATOM 0 HE2 PHE A 25 -6.532 -21.673 -13.207 1.00 10.00 H new ATOM 0 HZ PHE A 25 -8.827 -22.030 -12.340 1.00 10.00 H new ATOM 373 N CYS A 26 -5.742 -17.149 -14.726 1.00 10.00 N ATOM 374 CA CYS A 26 -4.821 -17.011 -13.624 1.00 10.00 C ATOM 375 C CYS A 26 -4.816 -15.604 -13.056 1.00 10.00 C ATOM 376 O CYS A 26 -4.599 -15.460 -11.874 1.00 10.00 O ATOM 377 CB CYS A 26 -3.404 -17.384 -14.049 1.00 10.00 C ATOM 378 SG CYS A 26 -2.892 -18.964 -13.356 1.00 10.00 S ATOM 0 H CYS A 26 -5.298 -17.381 -15.615 1.00 10.00 H new ATOM 0 HA CYS A 26 -5.163 -17.694 -12.847 1.00 10.00 H new ATOM 0 HB2 CYS A 26 -3.351 -17.430 -15.137 1.00 10.00 H new ATOM 0 HB3 CYS A 26 -2.712 -16.605 -13.729 1.00 10.00 H new ATOM 383 N GLU A 27 -4.998 -14.584 -13.888 1.00 10.00 N ATOM 384 CA GLU A 27 -5.069 -13.181 -13.500 1.00 10.00 C ATOM 385 C GLU A 27 -6.244 -12.992 -12.564 1.00 10.00 C ATOM 386 O GLU A 27 -6.039 -12.628 -11.413 1.00 10.00 O ATOM 387 CB GLU A 27 -5.200 -12.268 -14.742 1.00 10.00 C ATOM 388 CG GLU A 27 -3.985 -11.354 -14.905 1.00 10.00 C ATOM 389 CD GLU A 27 -3.522 -11.262 -16.353 1.00 10.00 C ATOM 390 OE1 GLU A 27 -3.084 -12.324 -16.875 1.00 10.00 O ATOM 391 OE2 GLU A 27 -3.577 -10.149 -16.910 1.00 10.00 O ATOM 0 H GLU A 27 -5.104 -14.719 -14.893 1.00 10.00 H new ATOM 0 HA GLU A 27 -4.148 -12.900 -12.989 1.00 10.00 H new ATOM 0 HB2 GLU A 27 -5.315 -12.883 -15.635 1.00 10.00 H new ATOM 0 HB3 GLU A 27 -6.102 -11.662 -14.654 1.00 10.00 H new ATOM 0 HG2 GLU A 27 -4.232 -10.357 -14.541 1.00 10.00 H new ATOM 0 HG3 GLU A 27 -3.168 -11.726 -14.287 1.00 10.00 H new ATOM 398 N MET A 28 -7.460 -13.315 -13.011 1.00 10.00 N ATOM 399 CA MET A 28 -8.654 -13.211 -12.167 1.00 10.00 C ATOM 400 C MET A 28 -8.567 -14.109 -10.922 1.00 10.00 C ATOM 401 O MET A 28 -9.333 -13.964 -9.966 1.00 10.00 O ATOM 402 CB MET A 28 -9.877 -13.587 -12.998 1.00 10.00 C ATOM 403 CG MET A 28 -11.175 -13.184 -12.308 1.00 10.00 C ATOM 404 SD MET A 28 -12.618 -13.545 -13.336 1.00 10.00 S ATOM 405 CE MET A 28 -13.915 -13.242 -12.118 1.00 10.00 C ATOM 0 H MET A 28 -7.644 -13.652 -13.956 1.00 10.00 H new ATOM 0 HA MET A 28 -8.733 -12.183 -11.813 1.00 10.00 H new ATOM 0 HB2 MET A 28 -9.818 -13.102 -13.972 1.00 10.00 H new ATOM 0 HB3 MET A 28 -9.879 -14.662 -13.177 1.00 10.00 H new ATOM 0 HG2 MET A 28 -11.262 -13.713 -11.359 1.00 10.00 H new ATOM 0 HG3 MET A 28 -11.149 -12.119 -12.078 1.00 10.00 H new ATOM 0 HE1 MET A 28 -14.890 -13.416 -12.574 1.00 10.00 H new ATOM 0 HE2 MET A 28 -13.784 -13.917 -11.272 1.00 10.00 H new ATOM 0 HE3 MET A 28 -13.855 -12.210 -11.772 1.00 10.00 H new ATOM 415 N LYS A 29 -7.614 -15.055 -10.923 1.00 10.00 N ATOM 416 CA LYS A 29 -7.395 -15.978 -9.818 1.00 10.00 C ATOM 417 C LYS A 29 -6.367 -15.467 -8.836 1.00 10.00 C ATOM 418 O LYS A 29 -6.719 -15.258 -7.689 1.00 10.00 O ATOM 419 CB LYS A 29 -7.039 -17.355 -10.362 1.00 10.00 C ATOM 420 CG LYS A 29 -7.391 -18.429 -9.333 1.00 10.00 C ATOM 421 CD LYS A 29 -6.174 -18.847 -8.501 1.00 10.00 C ATOM 422 CE LYS A 29 -6.333 -20.296 -8.053 1.00 10.00 C ATOM 423 NZ LYS A 29 -5.736 -20.495 -6.712 1.00 10.00 N ATOM 0 H LYS A 29 -6.972 -15.195 -11.703 1.00 10.00 H new ATOM 0 HA LYS A 29 -8.323 -16.060 -9.252 1.00 10.00 H new ATOM 0 HB2 LYS A 29 -7.578 -17.539 -11.291 1.00 10.00 H new ATOM 0 HB3 LYS A 29 -5.975 -17.399 -10.597 1.00 10.00 H new ATOM 0 HG2 LYS A 29 -8.172 -18.055 -8.671 1.00 10.00 H new ATOM 0 HG3 LYS A 29 -7.798 -19.302 -9.844 1.00 10.00 H new ATOM 0 HD2 LYS A 29 -5.263 -18.736 -9.089 1.00 10.00 H new ATOM 0 HD3 LYS A 29 -6.074 -18.196 -7.632 1.00 10.00 H new ATOM 0 HE2 LYS A 29 -7.390 -20.561 -8.030 1.00 10.00 H new ATOM 0 HE3 LYS A 29 -5.854 -20.960 -8.773 1.00 10.00 H new ATOM 0 HZ1 LYS A 29 -5.854 -21.487 -6.423 1.00 10.00 H new ATOM 0 HZ2 LYS A 29 -4.723 -20.262 -6.745 1.00 10.00 H new ATOM 0 HZ3 LYS A 29 -6.212 -19.876 -6.025 1.00 10.00 H new ATOM 437 N CYS A 30 -5.126 -15.292 -9.279 1.00 10.00 N ATOM 438 CA CYS A 30 -4.032 -14.655 -8.561 1.00 10.00 C ATOM 439 C CYS A 30 -4.476 -13.355 -7.885 1.00 10.00 C ATOM 440 O CYS A 30 -3.937 -12.974 -6.848 1.00 10.00 O ATOM 441 CB CYS A 30 -2.890 -14.336 -9.523 1.00 10.00 C ATOM 442 SG CYS A 30 -1.930 -15.747 -10.035 1.00 10.00 S ATOM 0 H CYS A 30 -4.842 -15.611 -10.205 1.00 10.00 H new ATOM 0 HA CYS A 30 -3.701 -15.354 -7.793 1.00 10.00 H new ATOM 0 HB2 CYS A 30 -3.304 -13.854 -10.409 1.00 10.00 H new ATOM 0 HB3 CYS A 30 -2.225 -13.614 -9.049 1.00 10.00 H new ATOM 0 HG CYS A 30 -2.725 -16.674 -10.481 1.00 10.00 H new ATOM 447 N ASP A 31 -5.469 -12.690 -8.493 1.00 10.00 N ATOM 448 CA ASP A 31 -6.103 -11.512 -7.921 1.00 10.00 C ATOM 449 C ASP A 31 -6.696 -11.853 -6.565 1.00 10.00 C ATOM 450 O ASP A 31 -6.261 -11.354 -5.542 1.00 10.00 O ATOM 451 CB ASP A 31 -7.218 -10.992 -8.850 1.00 10.00 C ATOM 452 CG ASP A 31 -7.439 -9.480 -8.753 1.00 10.00 C ATOM 453 OD1 ASP A 31 -6.645 -8.793 -8.073 1.00 10.00 O ATOM 454 OD2 ASP A 31 -8.396 -9.024 -9.412 1.00 10.00 O ATOM 0 H ASP A 31 -5.851 -12.962 -9.399 1.00 10.00 H new ATOM 0 HA ASP A 31 -5.347 -10.735 -7.806 1.00 10.00 H new ATOM 0 HB2 ASP A 31 -6.971 -11.250 -9.880 1.00 10.00 H new ATOM 0 HB3 ASP A 31 -8.150 -11.504 -8.608 1.00 10.00 H new ATOM 459 N THR A 32 -7.677 -12.761 -6.552 1.00 10.00 N ATOM 460 CA THR A 32 -8.317 -13.220 -5.315 1.00 10.00 C ATOM 461 C THR A 32 -7.372 -14.090 -4.479 1.00 10.00 C ATOM 462 O THR A 32 -7.560 -14.241 -3.278 1.00 10.00 O ATOM 463 CB THR A 32 -9.610 -13.967 -5.675 1.00 10.00 C ATOM 464 OG1 THR A 32 -10.653 -13.032 -5.844 1.00 10.00 O ATOM 465 CG2 THR A 32 -10.090 -14.980 -4.633 1.00 10.00 C ATOM 0 H THR A 32 -8.049 -13.197 -7.396 1.00 10.00 H new ATOM 0 HA THR A 32 -8.563 -12.358 -4.695 1.00 10.00 H new ATOM 0 HB THR A 32 -9.369 -14.522 -6.582 1.00 10.00 H new ATOM 0 HG1 THR A 32 -11.480 -13.503 -6.076 1.00 10.00 H new ATOM 0 HG21 THR A 32 -11.008 -15.453 -4.981 1.00 10.00 H new ATOM 0 HG22 THR A 32 -9.324 -15.741 -4.485 1.00 10.00 H new ATOM 0 HG23 THR A 32 -10.280 -14.469 -3.689 1.00 10.00 H new ATOM 473 N ASP A 33 -6.349 -14.691 -5.087 1.00 10.00 N ATOM 474 CA ASP A 33 -5.354 -15.481 -4.372 1.00 10.00 C ATOM 475 C ASP A 33 -4.689 -14.639 -3.275 1.00 10.00 C ATOM 476 O ASP A 33 -4.965 -14.785 -2.079 1.00 10.00 O ATOM 477 CB ASP A 33 -4.299 -16.002 -5.349 1.00 10.00 C ATOM 478 CG ASP A 33 -3.164 -16.713 -4.623 1.00 10.00 C ATOM 479 OD1 ASP A 33 -3.351 -17.931 -4.386 1.00 10.00 O ATOM 480 OD2 ASP A 33 -2.160 -16.034 -4.330 1.00 10.00 O ATOM 0 H ASP A 33 -6.189 -14.642 -6.093 1.00 10.00 H new ATOM 0 HA ASP A 33 -5.853 -16.329 -3.903 1.00 10.00 H new ATOM 0 HB2 ASP A 33 -4.765 -16.688 -6.057 1.00 10.00 H new ATOM 0 HB3 ASP A 33 -3.897 -15.171 -5.928 1.00 10.00 H new ATOM 485 N CYS A 34 -3.833 -13.708 -3.693 1.00 10.00 N ATOM 486 CA CYS A 34 -3.121 -12.822 -2.787 1.00 10.00 C ATOM 487 C CYS A 34 -3.968 -11.582 -2.480 1.00 10.00 C ATOM 488 O CYS A 34 -3.478 -10.454 -2.476 1.00 10.00 O ATOM 489 CB CYS A 34 -1.752 -12.462 -3.369 1.00 10.00 C ATOM 490 SG CYS A 34 -0.531 -12.044 -2.092 1.00 10.00 S ATOM 0 H CYS A 34 -3.616 -13.550 -4.677 1.00 10.00 H new ATOM 0 HA CYS A 34 -2.947 -13.334 -1.841 1.00 10.00 H new ATOM 0 HB2 CYS A 34 -1.381 -13.300 -3.959 1.00 10.00 H new ATOM 0 HB3 CYS A 34 -1.862 -11.618 -4.050 1.00 10.00 H new ATOM 495 N SER A 35 -5.253 -11.804 -2.198 1.00 10.00 N ATOM 496 CA SER A 35 -6.207 -10.741 -1.895 1.00 10.00 C ATOM 497 C SER A 35 -7.534 -11.310 -1.380 1.00 10.00 C ATOM 498 O SER A 35 -8.324 -11.902 -2.117 1.00 10.00 O ATOM 499 CB SER A 35 -6.537 -9.914 -3.127 1.00 10.00 C ATOM 500 OG SER A 35 -6.926 -8.602 -2.739 1.00 10.00 O ATOM 0 H SER A 35 -5.663 -12.738 -2.174 1.00 10.00 H new ATOM 0 HA SER A 35 -5.729 -10.123 -1.135 1.00 10.00 H new ATOM 0 HB2 SER A 35 -5.670 -9.866 -3.786 1.00 10.00 H new ATOM 0 HB3 SER A 35 -7.340 -10.389 -3.690 1.00 10.00 H new ATOM 0 HG SER A 35 -6.320 -7.948 -3.145 1.00 10.00 H new ATOM 506 N VAL A 36 -7.796 -11.120 -0.091 1.00 10.00 N ATOM 507 CA VAL A 36 -9.013 -11.611 0.538 1.00 10.00 C ATOM 508 C VAL A 36 -10.192 -10.735 0.101 1.00 10.00 C ATOM 509 O VAL A 36 -10.073 -9.825 -0.723 1.00 10.00 O ATOM 510 CB VAL A 36 -8.846 -11.704 2.066 1.00 10.00 C ATOM 511 CG1 VAL A 36 -9.774 -12.779 2.665 1.00 10.00 C ATOM 512 CG2 VAL A 36 -7.376 -11.960 2.461 1.00 10.00 C ATOM 0 H VAL A 36 -7.172 -10.623 0.544 1.00 10.00 H new ATOM 0 HA VAL A 36 -9.223 -12.628 0.208 1.00 10.00 H new ATOM 0 HB VAL A 36 -9.136 -10.740 2.484 1.00 10.00 H new ATOM 0 HG11 VAL A 36 -9.633 -12.821 3.745 1.00 10.00 H new ATOM 0 HG12 VAL A 36 -10.811 -12.528 2.444 1.00 10.00 H new ATOM 0 HG13 VAL A 36 -9.535 -13.749 2.230 1.00 10.00 H new ATOM 0 HG21 VAL A 36 -7.296 -12.020 3.546 1.00 10.00 H new ATOM 0 HG22 VAL A 36 -7.039 -12.898 2.020 1.00 10.00 H new ATOM 0 HG23 VAL A 36 -6.754 -11.143 2.096 1.00 10.00 H new ATOM 522 N LYS A 37 -11.356 -10.998 0.675 1.00 10.00 N ATOM 523 CA LYS A 37 -12.566 -10.232 0.404 1.00 10.00 C ATOM 524 C LYS A 37 -13.504 -10.330 1.594 1.00 10.00 C ATOM 525 O LYS A 37 -13.090 -10.723 2.679 1.00 10.00 O ATOM 526 CB LYS A 37 -13.170 -10.721 -0.922 1.00 10.00 C ATOM 527 CG LYS A 37 -13.714 -12.152 -0.811 1.00 10.00 C ATOM 528 CD LYS A 37 -14.094 -12.682 -2.188 1.00 10.00 C ATOM 529 CE LYS A 37 -15.132 -13.795 -2.041 1.00 10.00 C ATOM 530 NZ LYS A 37 -14.765 -14.969 -2.860 1.00 10.00 N ATOM 0 H LYS A 37 -11.490 -11.754 1.347 1.00 10.00 H new ATOM 0 HA LYS A 37 -12.355 -9.170 0.279 1.00 10.00 H new ATOM 0 HB2 LYS A 37 -13.974 -10.050 -1.224 1.00 10.00 H new ATOM 0 HB3 LYS A 37 -12.411 -10.681 -1.703 1.00 10.00 H new ATOM 0 HG2 LYS A 37 -12.963 -12.800 -0.359 1.00 10.00 H new ATOM 0 HG3 LYS A 37 -14.584 -12.168 -0.155 1.00 10.00 H new ATOM 0 HD2 LYS A 37 -14.496 -11.875 -2.801 1.00 10.00 H new ATOM 0 HD3 LYS A 37 -13.209 -13.061 -2.700 1.00 10.00 H new ATOM 0 HE2 LYS A 37 -15.212 -14.087 -0.994 1.00 10.00 H new ATOM 0 HE3 LYS A 37 -16.112 -13.427 -2.345 1.00 10.00 H new ATOM 0 HZ1 LYS A 37 -15.484 -15.711 -2.744 1.00 10.00 H new ATOM 0 HZ2 LYS A 37 -14.712 -14.691 -3.861 1.00 10.00 H new ATOM 0 HZ3 LYS A 37 -13.840 -15.332 -2.552 1.00 10.00 H new ATOM 544 N ASP A 38 -14.767 -10.008 1.375 1.00 10.00 N ATOM 545 CA ASP A 38 -15.801 -10.093 2.390 1.00 10.00 C ATOM 546 C ASP A 38 -17.143 -10.261 1.692 1.00 10.00 C ATOM 547 O ASP A 38 -17.335 -9.756 0.583 1.00 10.00 O ATOM 548 CB ASP A 38 -15.836 -8.783 3.175 1.00 10.00 C ATOM 549 CG ASP A 38 -16.324 -8.982 4.607 1.00 10.00 C ATOM 550 OD1 ASP A 38 -17.479 -9.446 4.759 1.00 10.00 O ATOM 551 OD2 ASP A 38 -15.544 -8.675 5.530 1.00 10.00 O ATOM 0 H ASP A 38 -15.108 -9.675 0.473 1.00 10.00 H new ATOM 0 HA ASP A 38 -15.601 -10.930 3.059 1.00 10.00 H new ATOM 0 HB2 ASP A 38 -14.838 -8.344 3.191 1.00 10.00 H new ATOM 0 HB3 ASP A 38 -16.488 -8.074 2.666 1.00 10.00 H new ATOM 556 N VAL A 39 -18.056 -10.974 2.332 1.00 10.00 N ATOM 557 CA VAL A 39 -19.406 -11.225 1.852 1.00 10.00 C ATOM 558 C VAL A 39 -20.254 -11.504 3.088 1.00 10.00 C ATOM 559 O VAL A 39 -20.487 -12.652 3.462 1.00 10.00 O ATOM 560 CB VAL A 39 -19.422 -12.378 0.825 1.00 10.00 C ATOM 561 CG1 VAL A 39 -20.824 -12.959 0.578 1.00 10.00 C ATOM 562 CG2 VAL A 39 -18.821 -11.934 -0.521 1.00 10.00 C ATOM 0 H VAL A 39 -17.870 -11.411 3.235 1.00 10.00 H new ATOM 0 HA VAL A 39 -19.815 -10.369 1.315 1.00 10.00 H new ATOM 0 HB VAL A 39 -18.811 -13.164 1.268 1.00 10.00 H new ATOM 0 HG11 VAL A 39 -20.760 -13.764 -0.154 1.00 10.00 H new ATOM 0 HG12 VAL A 39 -21.226 -13.349 1.513 1.00 10.00 H new ATOM 0 HG13 VAL A 39 -21.481 -12.176 0.199 1.00 10.00 H new ATOM 0 HG21 VAL A 39 -18.846 -12.767 -1.223 1.00 10.00 H new ATOM 0 HG22 VAL A 39 -19.402 -11.103 -0.922 1.00 10.00 H new ATOM 0 HG23 VAL A 39 -17.789 -11.616 -0.372 1.00 10.00 H new ATOM 572 N LYS A 40 -20.676 -10.435 3.774 1.00 10.00 N ATOM 573 CA LYS A 40 -21.583 -10.547 4.917 1.00 10.00 C ATOM 574 C LYS A 40 -22.793 -11.409 4.555 1.00 10.00 C ATOM 575 O LYS A 40 -23.325 -11.306 3.458 1.00 10.00 O ATOM 576 CB LYS A 40 -22.017 -9.155 5.389 1.00 10.00 C ATOM 577 CG LYS A 40 -20.904 -8.493 6.203 1.00 10.00 C ATOM 578 CD LYS A 40 -21.325 -7.102 6.688 1.00 10.00 C ATOM 579 CE LYS A 40 -20.933 -6.887 8.152 1.00 10.00 C ATOM 580 NZ LYS A 40 -20.221 -5.603 8.332 1.00 10.00 N ATOM 0 H LYS A 40 -20.400 -9.478 3.554 1.00 10.00 H new ATOM 0 HA LYS A 40 -21.057 -11.034 5.738 1.00 10.00 H new ATOM 0 HB2 LYS A 40 -22.265 -8.534 4.528 1.00 10.00 H new ATOM 0 HB3 LYS A 40 -22.920 -9.235 5.995 1.00 10.00 H new ATOM 0 HG2 LYS A 40 -20.654 -9.119 7.059 1.00 10.00 H new ATOM 0 HG3 LYS A 40 -20.004 -8.412 5.594 1.00 10.00 H new ATOM 0 HD2 LYS A 40 -20.855 -6.339 6.067 1.00 10.00 H new ATOM 0 HD3 LYS A 40 -22.403 -6.985 6.576 1.00 10.00 H new ATOM 0 HE2 LYS A 40 -21.826 -6.901 8.776 1.00 10.00 H new ATOM 0 HE3 LYS A 40 -20.298 -7.708 8.486 1.00 10.00 H new ATOM 0 HZ1 LYS A 40 -19.968 -5.484 9.334 1.00 10.00 H new ATOM 0 HZ2 LYS A 40 -19.357 -5.601 7.754 1.00 10.00 H new ATOM 0 HZ3 LYS A 40 -20.837 -4.820 8.035 1.00 10.00 H new ATOM 594 N GLU A 41 -23.278 -12.172 5.525 1.00 10.00 N ATOM 595 CA GLU A 41 -24.387 -13.123 5.351 1.00 10.00 C ATOM 596 C GLU A 41 -25.496 -12.822 6.360 1.00 10.00 C ATOM 597 O GLU A 41 -26.153 -13.692 6.931 1.00 10.00 O ATOM 598 CB GLU A 41 -23.866 -14.563 5.441 1.00 10.00 C ATOM 599 CG GLU A 41 -23.549 -15.126 4.049 1.00 10.00 C ATOM 600 CD GLU A 41 -24.757 -15.884 3.480 1.00 10.00 C ATOM 601 OE1 GLU A 41 -25.101 -16.935 4.066 1.00 10.00 O ATOM 602 OE2 GLU A 41 -25.336 -15.396 2.482 1.00 10.00 O ATOM 0 H GLU A 41 -22.910 -12.153 6.476 1.00 10.00 H new ATOM 0 HA GLU A 41 -24.824 -13.010 4.359 1.00 10.00 H new ATOM 0 HB2 GLU A 41 -22.969 -14.590 6.060 1.00 10.00 H new ATOM 0 HB3 GLU A 41 -24.610 -15.192 5.930 1.00 10.00 H new ATOM 0 HG2 GLU A 41 -23.274 -14.313 3.377 1.00 10.00 H new ATOM 0 HG3 GLU A 41 -22.690 -15.794 4.109 1.00 10.00 H new ATOM 609 N LYS A 42 -25.692 -11.529 6.622 1.00 10.00 N ATOM 610 CA LYS A 42 -26.721 -11.079 7.541 1.00 10.00 C ATOM 611 C LYS A 42 -27.340 -9.834 6.944 1.00 10.00 C ATOM 612 O LYS A 42 -27.015 -8.723 7.351 1.00 10.00 O ATOM 613 CB LYS A 42 -26.112 -10.884 8.933 1.00 10.00 C ATOM 614 CG LYS A 42 -27.216 -10.606 9.960 1.00 10.00 C ATOM 615 CD LYS A 42 -26.746 -10.997 11.358 1.00 10.00 C ATOM 616 CE LYS A 42 -27.834 -10.693 12.391 1.00 10.00 C ATOM 617 NZ LYS A 42 -27.298 -9.878 13.505 1.00 10.00 N ATOM 0 H LYS A 42 -25.145 -10.776 6.205 1.00 10.00 H new ATOM 0 HA LYS A 42 -27.518 -11.810 7.677 1.00 10.00 H new ATOM 0 HB2 LYS A 42 -25.553 -11.774 9.221 1.00 10.00 H new ATOM 0 HB3 LYS A 42 -25.404 -10.055 8.915 1.00 10.00 H new ATOM 0 HG2 LYS A 42 -27.483 -9.549 9.941 1.00 10.00 H new ATOM 0 HG3 LYS A 42 -28.114 -11.167 9.700 1.00 10.00 H new ATOM 0 HD2 LYS A 42 -26.499 -12.058 11.382 1.00 10.00 H new ATOM 0 HD3 LYS A 42 -25.836 -10.452 11.608 1.00 10.00 H new ATOM 0 HE2 LYS A 42 -28.657 -10.163 11.912 1.00 10.00 H new ATOM 0 HE3 LYS A 42 -28.240 -11.626 12.781 1.00 10.00 H new ATOM 0 HZ1 LYS A 42 -28.056 -9.686 14.191 1.00 10.00 H new ATOM 0 HZ2 LYS A 42 -26.528 -10.396 13.975 1.00 10.00 H new ATOM 0 HZ3 LYS A 42 -26.933 -8.978 13.132 1.00 10.00 H new ATOM 631 N LEU A 43 -28.189 -10.043 5.938 1.00 10.00 N ATOM 632 CA LEU A 43 -28.939 -8.970 5.294 1.00 10.00 C ATOM 633 C LEU A 43 -29.561 -8.054 6.343 1.00 10.00 C ATOM 634 O LEU A 43 -29.861 -8.489 7.457 1.00 10.00 O ATOM 635 CB LEU A 43 -29.993 -9.541 4.327 1.00 10.00 C ATOM 636 CG LEU A 43 -31.171 -10.255 5.023 1.00 10.00 C ATOM 637 CD1 LEU A 43 -32.341 -9.293 5.300 1.00 10.00 C ATOM 638 CD2 LEU A 43 -31.662 -11.436 4.179 1.00 10.00 C ATOM 0 H LEU A 43 -28.375 -10.966 5.547 1.00 10.00 H new ATOM 0 HA LEU A 43 -28.252 -8.369 4.698 1.00 10.00 H new ATOM 0 HB2 LEU A 43 -30.386 -8.729 3.715 1.00 10.00 H new ATOM 0 HB3 LEU A 43 -29.506 -10.243 3.650 1.00 10.00 H new ATOM 0 HG LEU A 43 -30.802 -10.624 5.980 1.00 10.00 H new ATOM 0 HD11 LEU A 43 -33.149 -9.835 5.791 1.00 10.00 H new ATOM 0 HD12 LEU A 43 -32.002 -8.484 5.947 1.00 10.00 H new ATOM 0 HD13 LEU A 43 -32.701 -8.878 4.359 1.00 10.00 H new ATOM 0 HD21 LEU A 43 -32.493 -11.926 4.687 1.00 10.00 H new ATOM 0 HD22 LEU A 43 -31.994 -11.074 3.206 1.00 10.00 H new ATOM 0 HD23 LEU A 43 -30.849 -12.149 4.043 1.00 10.00 H new ATOM 650 N GLU A 44 -29.805 -6.810 5.965 1.00 10.00 N ATOM 651 CA GLU A 44 -30.344 -5.827 6.886 1.00 10.00 C ATOM 652 C GLU A 44 -31.422 -5.025 6.178 1.00 10.00 C ATOM 653 O GLU A 44 -31.206 -4.488 5.090 1.00 10.00 O ATOM 654 CB GLU A 44 -29.226 -4.935 7.430 1.00 10.00 C ATOM 655 CG GLU A 44 -29.592 -4.433 8.832 1.00 10.00 C ATOM 656 CD GLU A 44 -29.131 -2.992 9.021 1.00 10.00 C ATOM 657 OE1 GLU A 44 -27.945 -2.815 9.382 1.00 10.00 O ATOM 658 OE2 GLU A 44 -29.974 -2.100 8.785 1.00 10.00 O ATOM 0 H GLU A 44 -29.637 -6.457 5.023 1.00 10.00 H new ATOM 0 HA GLU A 44 -30.795 -6.326 7.744 1.00 10.00 H new ATOM 0 HB2 GLU A 44 -28.290 -5.492 7.467 1.00 10.00 H new ATOM 0 HB3 GLU A 44 -29.067 -4.089 6.762 1.00 10.00 H new ATOM 0 HG2 GLU A 44 -30.670 -4.498 8.978 1.00 10.00 H new ATOM 0 HG3 GLU A 44 -29.129 -5.071 9.585 1.00 10.00 H new ATOM 665 N ASN A 45 -32.613 -5.014 6.764 1.00 10.00 N ATOM 666 CA ASN A 45 -33.735 -4.258 6.243 1.00 10.00 C ATOM 667 C ASN A 45 -34.673 -3.901 7.383 1.00 10.00 C ATOM 668 O ASN A 45 -34.691 -4.560 8.423 1.00 10.00 O ATOM 669 CB ASN A 45 -34.502 -5.107 5.220 1.00 10.00 C ATOM 670 CG ASN A 45 -34.219 -4.706 3.792 1.00 10.00 C ATOM 671 OD1 ASN A 45 -34.086 -3.545 3.433 1.00 10.00 O ATOM 672 ND2 ASN A 45 -34.237 -5.684 2.919 1.00 10.00 N ATOM 0 H ASN A 45 -32.824 -5.532 7.617 1.00 10.00 H new ATOM 0 HA ASN A 45 -33.364 -3.352 5.764 1.00 10.00 H new ATOM 0 HB2 ASN A 45 -34.239 -6.156 5.356 1.00 10.00 H new ATOM 0 HB3 ASN A 45 -35.571 -5.019 5.411 1.00 10.00 H new ATOM 0 HD21 ASN A 45 -34.139 -5.481 1.924 1.00 10.00 H new ATOM 0 HD22 ASN A 45 -34.349 -6.647 3.235 1.00 10.00 H new ATOM 679 N TYR A 46 -35.485 -2.877 7.150 1.00 10.00 N ATOM 680 CA TYR A 46 -36.411 -2.363 8.141 1.00 10.00 C ATOM 681 C TYR A 46 -37.238 -1.251 7.505 1.00 10.00 C ATOM 682 O TYR A 46 -36.703 -0.225 7.073 1.00 10.00 O ATOM 683 CB TYR A 46 -35.603 -1.854 9.344 1.00 10.00 C ATOM 684 CG TYR A 46 -36.324 -0.851 10.211 1.00 10.00 C ATOM 685 CD1 TYR A 46 -37.179 -1.291 11.231 1.00 10.00 C ATOM 686 CD2 TYR A 46 -36.136 0.520 9.977 1.00 10.00 C ATOM 687 CE1 TYR A 46 -37.849 -0.353 12.033 1.00 10.00 C ATOM 688 CE2 TYR A 46 -36.808 1.467 10.762 1.00 10.00 C ATOM 689 CZ TYR A 46 -37.655 1.026 11.797 1.00 10.00 C ATOM 690 OH TYR A 46 -38.257 1.944 12.597 1.00 10.00 O ATOM 0 H TYR A 46 -35.517 -2.379 6.260 1.00 10.00 H new ATOM 0 HA TYR A 46 -37.094 -3.138 8.489 1.00 10.00 H new ATOM 0 HB2 TYR A 46 -35.318 -2.707 9.960 1.00 10.00 H new ATOM 0 HB3 TYR A 46 -34.681 -1.402 8.979 1.00 10.00 H new ATOM 0 HD1 TYR A 46 -37.322 -2.348 11.400 1.00 10.00 H new ATOM 0 HD2 TYR A 46 -35.472 0.846 9.190 1.00 10.00 H new ATOM 0 HE1 TYR A 46 -38.507 -0.683 12.823 1.00 10.00 H new ATOM 0 HE2 TYR A 46 -36.678 2.523 10.575 1.00 10.00 H new ATOM 0 HH TYR A 46 -38.018 2.846 12.298 1.00 10.00 H new ATOM 700 N LYS A 47 -38.549 -1.473 7.393 1.00 10.00 N ATOM 701 CA LYS A 47 -39.477 -0.450 6.914 1.00 10.00 C ATOM 702 C LYS A 47 -40.597 -0.199 7.922 1.00 10.00 C ATOM 703 O LYS A 47 -40.792 -1.024 8.814 1.00 10.00 O ATOM 704 CB LYS A 47 -39.978 -0.831 5.509 1.00 10.00 C ATOM 705 CG LYS A 47 -39.529 0.186 4.444 1.00 10.00 C ATOM 706 CD LYS A 47 -38.145 -0.142 3.888 1.00 10.00 C ATOM 707 CE LYS A 47 -37.970 0.533 2.531 1.00 10.00 C ATOM 708 NZ LYS A 47 -36.535 0.741 2.235 1.00 10.00 N ATOM 0 H LYS A 47 -38.993 -2.360 7.630 1.00 10.00 H new ATOM 0 HA LYS A 47 -38.960 0.505 6.823 1.00 10.00 H new ATOM 0 HB2 LYS A 47 -39.604 -1.821 5.246 1.00 10.00 H new ATOM 0 HB3 LYS A 47 -41.066 -0.893 5.516 1.00 10.00 H new ATOM 0 HG2 LYS A 47 -40.253 0.201 3.629 1.00 10.00 H new ATOM 0 HG3 LYS A 47 -39.518 1.185 4.879 1.00 10.00 H new ATOM 0 HD2 LYS A 47 -37.374 0.199 4.578 1.00 10.00 H new ATOM 0 HD3 LYS A 47 -38.028 -1.221 3.787 1.00 10.00 H new ATOM 0 HE2 LYS A 47 -38.422 -0.081 1.752 1.00 10.00 H new ATOM 0 HE3 LYS A 47 -38.491 1.490 2.525 1.00 10.00 H new ATOM 0 HZ1 LYS A 47 -36.435 1.201 1.308 1.00 10.00 H new ATOM 0 HZ2 LYS A 47 -36.113 1.345 2.969 1.00 10.00 H new ATOM 0 HZ3 LYS A 47 -36.047 -0.177 2.220 1.00 10.00 H new ATOM 722 N PRO A 48 -41.286 0.947 7.797 1.00 10.00 N ATOM 723 CA PRO A 48 -42.411 1.284 8.639 1.00 10.00 C ATOM 724 C PRO A 48 -43.620 0.402 8.329 1.00 10.00 C ATOM 725 O PRO A 48 -43.533 -0.571 7.584 1.00 10.00 O ATOM 726 CB PRO A 48 -42.649 2.788 8.427 1.00 10.00 C ATOM 727 CG PRO A 48 -41.994 3.134 7.098 1.00 10.00 C ATOM 728 CD PRO A 48 -41.100 1.953 6.765 1.00 10.00 C ATOM 0 HA PRO A 48 -42.220 1.092 9.695 1.00 10.00 H new ATOM 0 HB2 PRO A 48 -43.715 3.015 8.407 1.00 10.00 H new ATOM 0 HB3 PRO A 48 -42.214 3.370 9.239 1.00 10.00 H new ATOM 0 HG2 PRO A 48 -42.742 3.291 6.321 1.00 10.00 H new ATOM 0 HG3 PRO A 48 -41.415 4.055 7.174 1.00 10.00 H new ATOM 0 HD2 PRO A 48 -41.354 1.547 5.786 1.00 10.00 H new ATOM 0 HD3 PRO A 48 -40.057 2.265 6.720 1.00 10.00 H new ATOM 736 N LYS A 49 -44.766 0.780 8.879 1.00 10.00 N ATOM 737 CA LYS A 49 -46.040 0.116 8.637 1.00 10.00 C ATOM 738 C LYS A 49 -46.919 0.974 7.734 1.00 10.00 C ATOM 739 O LYS A 49 -46.873 2.201 7.823 1.00 10.00 O ATOM 740 CB LYS A 49 -46.690 -0.191 9.988 1.00 10.00 C ATOM 741 CG LYS A 49 -46.883 1.070 10.862 1.00 10.00 C ATOM 742 CD LYS A 49 -48.326 1.193 11.350 1.00 10.00 C ATOM 743 CE LYS A 49 -48.690 2.659 11.587 1.00 10.00 C ATOM 744 NZ LYS A 49 -50.109 2.904 11.228 1.00 10.00 N ATOM 0 H LYS A 49 -44.838 1.572 9.518 1.00 10.00 H new ATOM 0 HA LYS A 49 -45.894 -0.827 8.111 1.00 10.00 H new ATOM 0 HB2 LYS A 49 -47.658 -0.663 9.821 1.00 10.00 H new ATOM 0 HB3 LYS A 49 -46.073 -0.910 10.527 1.00 10.00 H new ATOM 0 HG2 LYS A 49 -46.210 1.028 11.718 1.00 10.00 H new ATOM 0 HG3 LYS A 49 -46.614 1.957 10.288 1.00 10.00 H new ATOM 0 HD2 LYS A 49 -49.003 0.759 10.614 1.00 10.00 H new ATOM 0 HD3 LYS A 49 -48.453 0.627 12.273 1.00 10.00 H new ATOM 0 HE2 LYS A 49 -48.523 2.917 12.633 1.00 10.00 H new ATOM 0 HE3 LYS A 49 -48.041 3.302 10.992 1.00 10.00 H new ATOM 0 HZ1 LYS A 49 -50.341 3.904 11.394 1.00 10.00 H new ATOM 0 HZ2 LYS A 49 -50.257 2.676 10.224 1.00 10.00 H new ATOM 0 HZ3 LYS A 49 -50.724 2.304 11.814 1.00 10.00 H new ATOM 758 N ASN A 50 -47.700 0.309 6.892 1.00 10.00 N ATOM 759 CA ASN A 50 -48.627 0.944 5.958 1.00 10.00 C ATOM 760 C ASN A 50 -50.004 1.096 6.643 1.00 10.00 C ATOM 761 O ASN A 50 -50.244 2.137 7.289 1.00 10.00 O ATOM 762 CB ASN A 50 -48.691 0.130 4.642 1.00 10.00 C ATOM 763 CG ASN A 50 -47.341 -0.267 4.068 1.00 10.00 C ATOM 764 OD1 ASN A 50 -46.334 0.421 4.127 1.00 10.00 O ATOM 765 ND2 ASN A 50 -47.301 -1.435 3.474 1.00 10.00 N ATOM 766 OXT ASN A 50 -50.784 0.123 6.613 1.00 10.00 O ATOM 0 H ASN A 50 -47.708 -0.709 6.837 1.00 10.00 H new ATOM 0 HA ASN A 50 -48.282 1.942 5.688 1.00 10.00 H new ATOM 0 HB2 ASN A 50 -49.274 -0.774 4.819 1.00 10.00 H new ATOM 0 HB3 ASN A 50 -49.229 0.715 3.896 1.00 10.00 H new ATOM 0 HD21 ASN A 50 -46.429 -1.768 3.062 1.00 10.00 H new ATOM 0 HD22 ASN A 50 -48.141 -2.011 3.424 1.00 10.00 H new TER 773 ASN A 50