USER MOD reduce.3.24.130724 H: found=0, std=0, add=530, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 529 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 59 SER OG : rot -82:sc= 0.0735 USER MOD Set 1.2: A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 13 THR OG1 : rot -76:sc= 0.133 USER MOD Set 2.2: A 54 HIS : no HD1:sc= -0.0553 X(o=0.077,f=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.00136 USER MOD Single : A 12 CYS SG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= 0.563 K(o=0.56,f=-3.9!) USER MOD Single : A 20 MET CE :methyl -173:sc= -1.89 (180deg=-1.97) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -0.0175 X(o=-0.018,f=-0.018) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 166:sc= 1.21 (180deg=1.02) USER MOD Single : A 32 SER OG : rot -24:sc= 0.225 USER MOD Single : A 34 GLN : amide:sc=-0.00575 X(o=-0.0057,f=-0.49) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 45 HIS : no HD1:sc= -0.109 X(o=-0.11,f=-0.43) USER MOD Single : A 49 GLN : amide:sc= -0.366 X(o=-0.37,f=-0.4) USER MOD Single : A 50 MET CE :methyl -159:sc= -0.115 (180deg=-0.403) USER MOD Single : A 55 THR OG1 : rot 49:sc= 1.54 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 69 THR OG1 : rot -72:sc= 1.3 USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 9 -11.015 6.494 13.835 1.00 2.87 N ATOM 2 CA GLY A 9 -9.721 5.880 14.023 1.00 2.01 C ATOM 3 C GLY A 9 -8.589 6.880 13.827 1.00 1.79 C ATOM 4 O GLY A 9 -8.745 7.943 13.216 1.00 2.25 O ATOM 0 HA2 GLY A 9 -9.662 5.455 15.025 1.00 2.01 H new ATOM 0 HA3 GLY A 9 -9.604 5.055 13.320 1.00 2.01 H new ATOM 8 N THR A 10 -7.438 6.501 14.355 1.00 1.55 N ATOM 9 CA THR A 10 -6.152 7.193 14.276 1.00 1.19 C ATOM 10 C THR A 10 -5.127 6.445 13.424 1.00 0.76 C ATOM 11 O THR A 10 -5.261 5.255 13.127 1.00 0.91 O ATOM 12 CB THR A 10 -5.638 7.552 15.680 1.00 1.48 C ATOM 13 OG1 THR A 10 -4.490 8.372 15.647 1.00 1.38 O ATOM 14 CG2 THR A 10 -5.265 6.327 16.512 1.00 1.54 C ATOM 0 H THR A 10 -7.367 5.637 14.892 1.00 1.55 H new ATOM 0 HA THR A 10 -6.314 8.133 13.748 1.00 1.19 H new ATOM 0 HB THR A 10 -6.477 8.079 16.134 1.00 1.48 H new ATOM 0 HG1 THR A 10 -4.205 8.573 16.563 1.00 1.38 H new ATOM 0 HG21 THR A 10 -4.910 6.647 17.492 1.00 1.54 H new ATOM 0 HG22 THR A 10 -6.141 5.690 16.634 1.00 1.54 H new ATOM 0 HG23 THR A 10 -4.478 5.769 16.005 1.00 1.54 H new ATOM 22 N LEU A 11 -4.140 7.205 12.966 1.00 0.53 N ATOM 23 CA LEU A 11 -3.194 6.862 11.911 1.00 0.43 C ATOM 24 C LEU A 11 -2.124 5.862 12.378 1.00 0.48 C ATOM 25 O LEU A 11 -1.624 5.933 13.503 1.00 0.57 O ATOM 26 CB LEU A 11 -2.526 8.146 11.380 1.00 0.62 C ATOM 27 CG LEU A 11 -2.170 8.028 9.889 1.00 1.10 C ATOM 28 CD1 LEU A 11 -3.253 8.638 9.005 1.00 2.37 C ATOM 29 CD2 LEU A 11 -0.860 8.696 9.542 1.00 2.10 C ATOM 0 H LEU A 11 -3.968 8.136 13.345 1.00 0.53 H new ATOM 0 HA LEU A 11 -3.755 6.375 11.114 1.00 0.43 H new ATOM 0 HB2 LEU A 11 -3.196 8.993 11.528 1.00 0.62 H new ATOM 0 HB3 LEU A 11 -1.623 8.350 11.955 1.00 0.62 H new ATOM 0 HG LEU A 11 -2.083 6.958 9.702 1.00 1.10 H new ATOM 0 HD11 LEU A 11 -2.968 8.537 7.958 1.00 2.37 H new ATOM 0 HD12 LEU A 11 -4.197 8.120 9.176 1.00 2.37 H new ATOM 0 HD13 LEU A 11 -3.370 9.694 9.249 1.00 2.37 H new ATOM 0 HD21 LEU A 11 -0.663 8.579 8.476 1.00 2.10 H new ATOM 0 HD22 LEU A 11 -0.917 9.757 9.786 1.00 2.10 H new ATOM 0 HD23 LEU A 11 -0.054 8.235 10.113 1.00 2.10 H new ATOM 41 N CYS A 12 -1.719 4.984 11.468 1.00 0.44 N ATOM 42 CA CYS A 12 -0.566 4.100 11.602 1.00 0.41 C ATOM 43 C CYS A 12 0.031 3.729 10.237 1.00 0.38 C ATOM 44 O CYS A 12 -0.633 3.793 9.201 1.00 0.44 O ATOM 45 CB CYS A 12 -0.965 2.831 12.361 1.00 0.51 C ATOM 46 SG CYS A 12 0.445 2.229 13.338 1.00 2.15 S ATOM 0 H CYS A 12 -2.205 4.863 10.579 1.00 0.44 H new ATOM 0 HA CYS A 12 0.199 4.637 12.163 1.00 0.41 H new ATOM 0 HB2 CYS A 12 -1.811 3.039 13.016 1.00 0.51 H new ATOM 0 HB3 CYS A 12 -1.287 2.062 11.659 1.00 0.51 H new ATOM 0 HG CYS A 12 0.099 1.154 13.981 1.00 2.15 H new ATOM 52 N THR A 13 1.291 3.307 10.251 1.00 0.36 N ATOM 53 CA THR A 13 2.015 2.802 9.078 1.00 0.28 C ATOM 54 C THR A 13 1.814 1.297 8.932 1.00 0.31 C ATOM 55 O THR A 13 2.208 0.532 9.814 1.00 0.47 O ATOM 56 CB THR A 13 3.504 3.110 9.242 1.00 0.33 C ATOM 57 OG1 THR A 13 3.682 4.503 9.331 1.00 0.44 O ATOM 58 CG2 THR A 13 4.356 2.625 8.071 1.00 0.45 C ATOM 0 H THR A 13 1.857 3.305 11.100 1.00 0.36 H new ATOM 0 HA THR A 13 1.630 3.290 8.182 1.00 0.28 H new ATOM 0 HB THR A 13 3.825 2.587 10.143 1.00 0.33 H new ATOM 0 HG1 THR A 13 3.594 4.902 8.440 1.00 0.44 H new ATOM 0 HG21 THR A 13 5.401 2.876 8.253 1.00 0.45 H new ATOM 0 HG22 THR A 13 4.255 1.544 7.970 1.00 0.45 H new ATOM 0 HG23 THR A 13 4.021 3.108 7.153 1.00 0.45 H new ATOM 66 N LEU A 14 1.270 0.857 7.799 1.00 0.27 N ATOM 67 CA LEU A 14 1.205 -0.554 7.395 1.00 0.28 C ATOM 68 C LEU A 14 2.273 -0.833 6.324 1.00 0.26 C ATOM 69 O LEU A 14 2.386 -0.081 5.358 1.00 0.30 O ATOM 70 CB LEU A 14 -0.223 -0.877 6.923 1.00 0.35 C ATOM 71 CG LEU A 14 -1.232 -1.290 8.021 1.00 0.49 C ATOM 72 CD1 LEU A 14 -1.153 -0.531 9.339 1.00 0.92 C ATOM 73 CD2 LEU A 14 -2.660 -1.113 7.498 1.00 1.62 C ATOM 0 H LEU A 14 0.850 1.486 7.115 1.00 0.27 H new ATOM 0 HA LEU A 14 1.424 -1.211 8.236 1.00 0.28 H new ATOM 0 HB2 LEU A 14 -0.619 -0.002 6.407 1.00 0.35 H new ATOM 0 HB3 LEU A 14 -0.167 -1.682 6.190 1.00 0.35 H new ATOM 0 HG LEU A 14 -0.964 -2.324 8.239 1.00 0.49 H new ATOM 0 HD11 LEU A 14 -1.910 -0.912 10.024 1.00 0.92 H new ATOM 0 HD12 LEU A 14 -0.165 -0.666 9.778 1.00 0.92 H new ATOM 0 HD13 LEU A 14 -1.328 0.530 9.159 1.00 0.92 H new ATOM 0 HD21 LEU A 14 -3.370 -1.404 8.272 1.00 1.62 H new ATOM 0 HD22 LEU A 14 -2.823 -0.069 7.231 1.00 1.62 H new ATOM 0 HD23 LEU A 14 -2.806 -1.740 6.618 1.00 1.62 H new ATOM 85 N GLU A 15 3.053 -1.904 6.500 1.00 0.31 N ATOM 86 CA GLU A 15 4.183 -2.294 5.639 1.00 0.28 C ATOM 87 C GLU A 15 3.849 -3.548 4.816 1.00 0.24 C ATOM 88 O GLU A 15 4.059 -4.681 5.256 1.00 0.34 O ATOM 89 CB GLU A 15 5.443 -2.530 6.494 1.00 0.42 C ATOM 90 CG GLU A 15 5.930 -1.255 7.192 1.00 0.91 C ATOM 91 CD GLU A 15 7.271 -1.454 7.920 1.00 0.98 C ATOM 92 OE1 GLU A 15 7.540 -2.564 8.440 1.00 2.00 O ATOM 93 OE2 GLU A 15 8.063 -0.484 8.016 1.00 1.90 O ATOM 0 H GLU A 15 2.912 -2.551 7.276 1.00 0.31 H new ATOM 0 HA GLU A 15 4.376 -1.479 4.941 1.00 0.28 H new ATOM 0 HB2 GLU A 15 5.231 -3.292 7.244 1.00 0.42 H new ATOM 0 HB3 GLU A 15 6.240 -2.920 5.860 1.00 0.42 H new ATOM 0 HG2 GLU A 15 6.036 -0.459 6.455 1.00 0.91 H new ATOM 0 HG3 GLU A 15 5.177 -0.927 7.909 1.00 0.91 H new ATOM 100 N PHE A 16 3.330 -3.368 3.604 1.00 0.21 N ATOM 101 CA PHE A 16 2.843 -4.475 2.768 1.00 0.22 C ATOM 102 C PHE A 16 3.865 -4.910 1.710 1.00 0.22 C ATOM 103 O PHE A 16 4.616 -4.099 1.182 1.00 0.26 O ATOM 104 CB PHE A 16 1.524 -4.098 2.080 1.00 0.23 C ATOM 105 CG PHE A 16 0.271 -4.101 2.923 1.00 0.21 C ATOM 106 CD1 PHE A 16 -0.512 -5.271 3.011 1.00 2.10 C ATOM 107 CD2 PHE A 16 -0.176 -2.912 3.522 1.00 1.95 C ATOM 108 CE1 PHE A 16 -1.767 -5.232 3.643 1.00 2.13 C ATOM 109 CE2 PHE A 16 -1.422 -2.881 4.170 1.00 1.92 C ATOM 110 CZ PHE A 16 -2.226 -4.035 4.212 1.00 0.30 C ATOM 0 H PHE A 16 3.233 -2.451 3.168 1.00 0.21 H new ATOM 0 HA PHE A 16 2.680 -5.318 3.439 1.00 0.22 H new ATOM 0 HB2 PHE A 16 1.640 -3.101 1.654 1.00 0.23 H new ATOM 0 HB3 PHE A 16 1.371 -4.785 1.248 1.00 0.23 H new ATOM 0 HD1 PHE A 16 -0.147 -6.197 2.593 1.00 2.10 H new ATOM 0 HD2 PHE A 16 0.437 -2.023 3.485 1.00 1.95 H new ATOM 0 HE1 PHE A 16 -2.377 -6.122 3.690 1.00 2.13 H new ATOM 0 HE2 PHE A 16 -1.764 -1.969 4.637 1.00 1.92 H new ATOM 0 HZ PHE A 16 -3.197 -3.999 4.683 1.00 0.30 H new ATOM 120 N ALA A 17 3.839 -6.193 1.356 1.00 0.36 N ATOM 121 CA ALA A 17 4.594 -6.800 0.249 1.00 0.32 C ATOM 122 C ALA A 17 3.673 -7.170 -0.931 1.00 0.35 C ATOM 123 O ALA A 17 2.629 -7.799 -0.735 1.00 0.50 O ATOM 124 CB ALA A 17 5.354 -8.025 0.770 1.00 0.31 C ATOM 0 H ALA A 17 3.266 -6.874 1.853 1.00 0.36 H new ATOM 0 HA ALA A 17 5.309 -6.071 -0.132 1.00 0.32 H new ATOM 0 HB1 ALA A 17 5.916 -8.479 -0.046 1.00 0.31 H new ATOM 0 HB2 ALA A 17 6.042 -7.718 1.557 1.00 0.31 H new ATOM 0 HB3 ALA A 17 4.645 -8.750 1.170 1.00 0.31 H new ATOM 130 N VAL A 18 4.045 -6.788 -2.158 1.00 0.34 N ATOM 131 CA VAL A 18 3.141 -6.781 -3.332 1.00 0.34 C ATOM 132 C VAL A 18 3.803 -7.235 -4.641 1.00 0.47 C ATOM 133 O VAL A 18 5.027 -7.229 -4.775 1.00 0.66 O ATOM 134 CB VAL A 18 2.460 -5.405 -3.497 1.00 0.41 C ATOM 135 CG1 VAL A 18 1.487 -5.042 -2.364 1.00 0.42 C ATOM 136 CG2 VAL A 18 3.473 -4.279 -3.528 1.00 0.52 C ATOM 0 H VAL A 18 4.990 -6.470 -2.374 1.00 0.34 H new ATOM 0 HA VAL A 18 2.379 -7.531 -3.120 1.00 0.34 H new ATOM 0 HB VAL A 18 1.916 -5.506 -4.436 1.00 0.41 H new ATOM 0 HG11 VAL A 18 1.053 -4.061 -2.558 1.00 0.42 H new ATOM 0 HG12 VAL A 18 0.693 -5.787 -2.314 1.00 0.42 H new ATOM 0 HG13 VAL A 18 2.024 -5.020 -1.416 1.00 0.42 H new ATOM 0 HG21 VAL A 18 2.955 -3.327 -3.645 1.00 0.52 H new ATOM 0 HG22 VAL A 18 4.038 -4.272 -2.596 1.00 0.52 H new ATOM 0 HG23 VAL A 18 4.155 -4.426 -4.365 1.00 0.52 H new ATOM 146 N GLN A 19 3.007 -7.646 -5.635 1.00 0.52 N ATOM 147 CA GLN A 19 3.514 -8.039 -6.963 1.00 0.69 C ATOM 148 C GLN A 19 3.718 -6.830 -7.905 1.00 0.62 C ATOM 149 O GLN A 19 2.820 -6.461 -8.663 1.00 0.76 O ATOM 150 CB GLN A 19 2.533 -9.055 -7.581 1.00 1.09 C ATOM 151 CG GLN A 19 2.688 -10.482 -7.032 1.00 1.27 C ATOM 152 CD GLN A 19 1.542 -11.405 -7.449 1.00 2.40 C ATOM 153 OE1 GLN A 19 0.490 -10.989 -7.923 1.00 3.56 O ATOM 154 NE2 GLN A 19 1.657 -12.690 -7.219 1.00 2.88 N ATOM 0 H GLN A 19 1.993 -7.717 -5.546 1.00 0.52 H new ATOM 0 HA GLN A 19 4.498 -8.491 -6.836 1.00 0.69 H new ATOM 0 HB2 GLN A 19 1.513 -8.716 -7.402 1.00 1.09 H new ATOM 0 HB3 GLN A 19 2.677 -9.074 -8.661 1.00 1.09 H new ATOM 0 HG2 GLN A 19 3.631 -10.901 -7.382 1.00 1.27 H new ATOM 0 HG3 GLN A 19 2.740 -10.444 -5.944 1.00 1.27 H new ATOM 0 HE21 GLN A 19 2.521 -13.062 -6.825 1.00 2.88 H new ATOM 0 HE22 GLN A 19 0.882 -13.318 -7.434 1.00 2.88 H new ATOM 163 N MET A 20 4.922 -6.243 -7.936 1.00 0.49 N ATOM 164 CA MET A 20 5.362 -5.325 -9.007 1.00 0.49 C ATOM 165 C MET A 20 6.876 -5.390 -9.301 1.00 0.53 C ATOM 166 O MET A 20 7.646 -5.905 -8.487 1.00 0.70 O ATOM 167 CB MET A 20 4.910 -3.892 -8.693 1.00 0.47 C ATOM 168 CG MET A 20 5.138 -3.457 -7.245 1.00 0.37 C ATOM 169 SD MET A 20 4.961 -1.663 -7.079 1.00 0.60 S ATOM 170 CE MET A 20 4.842 -1.587 -5.288 1.00 0.36 C ATOM 0 H MET A 20 5.628 -6.390 -7.214 1.00 0.49 H new ATOM 0 HA MET A 20 4.879 -5.661 -9.925 1.00 0.49 H new ATOM 0 HB2 MET A 20 5.440 -3.205 -9.353 1.00 0.47 H new ATOM 0 HB3 MET A 20 3.849 -3.801 -8.923 1.00 0.47 H new ATOM 0 HG2 MET A 20 4.424 -3.960 -6.593 1.00 0.37 H new ATOM 0 HG3 MET A 20 6.134 -3.760 -6.922 1.00 0.37 H new ATOM 0 HE1 MET A 20 4.602 -0.569 -4.982 1.00 0.36 H new ATOM 0 HE2 MET A 20 4.058 -2.263 -4.946 1.00 0.36 H new ATOM 0 HE3 MET A 20 5.794 -1.884 -4.847 1.00 0.36 H new ATOM 180 N THR A 21 7.301 -4.890 -10.474 1.00 0.69 N ATOM 181 CA THR A 21 8.662 -5.106 -11.029 1.00 0.83 C ATOM 182 C THR A 21 9.407 -3.871 -11.560 1.00 0.69 C ATOM 183 O THR A 21 10.626 -3.796 -11.392 1.00 0.83 O ATOM 184 CB THR A 21 8.634 -6.163 -12.150 1.00 1.69 C ATOM 185 OG1 THR A 21 7.683 -5.827 -13.140 1.00 3.43 O ATOM 186 CG2 THR A 21 8.268 -7.561 -11.652 1.00 1.21 C ATOM 0 H THR A 21 6.708 -4.318 -11.075 1.00 0.69 H new ATOM 0 HA THR A 21 9.224 -5.435 -10.155 1.00 0.83 H new ATOM 0 HB THR A 21 9.648 -6.173 -12.550 1.00 1.69 H new ATOM 0 HG1 THR A 21 7.685 -6.512 -13.841 1.00 3.43 H new ATOM 0 HG21 THR A 21 8.266 -8.257 -12.491 1.00 1.21 H new ATOM 0 HG22 THR A 21 8.999 -7.887 -10.912 1.00 1.21 H new ATOM 0 HG23 THR A 21 7.277 -7.538 -11.198 1.00 1.21 H new ATOM 194 N CYS A 22 8.719 -2.910 -12.181 1.00 0.83 N ATOM 195 CA CYS A 22 9.323 -1.741 -12.828 1.00 1.04 C ATOM 196 C CYS A 22 8.503 -0.436 -12.628 1.00 0.95 C ATOM 197 O CYS A 22 7.394 -0.461 -12.090 1.00 0.85 O ATOM 198 CB CYS A 22 9.565 -2.120 -14.302 1.00 1.36 C ATOM 199 SG CYS A 22 8.125 -1.923 -15.388 1.00 1.49 S ATOM 0 H CYS A 22 7.701 -2.923 -12.250 1.00 0.83 H new ATOM 0 HA CYS A 22 10.275 -1.493 -12.358 1.00 1.04 H new ATOM 0 HB2 CYS A 22 10.380 -1.509 -14.690 1.00 1.36 H new ATOM 0 HB3 CYS A 22 9.895 -3.158 -14.346 1.00 1.36 H new ATOM 204 N GLN A 23 9.067 0.698 -13.068 1.00 1.01 N ATOM 205 CA GLN A 23 8.660 2.082 -12.739 1.00 0.99 C ATOM 206 C GLN A 23 7.177 2.438 -13.005 1.00 0.90 C ATOM 207 O GLN A 23 6.619 3.279 -12.291 1.00 0.90 O ATOM 208 CB GLN A 23 9.567 3.062 -13.507 1.00 1.02 C ATOM 209 CG GLN A 23 11.048 3.029 -13.082 1.00 1.35 C ATOM 210 CD GLN A 23 11.266 3.487 -11.641 1.00 1.47 C ATOM 211 OE1 GLN A 23 10.984 4.624 -11.271 1.00 2.26 O ATOM 212 NE2 GLN A 23 11.734 2.630 -10.760 1.00 1.48 N ATOM 0 H GLN A 23 9.867 0.678 -13.701 1.00 1.01 H new ATOM 0 HA GLN A 23 8.774 2.166 -11.658 1.00 0.99 H new ATOM 0 HB2 GLN A 23 9.503 2.838 -14.572 1.00 1.02 H new ATOM 0 HB3 GLN A 23 9.185 4.074 -13.370 1.00 1.02 H new ATOM 0 HG2 GLN A 23 11.431 2.015 -13.197 1.00 1.35 H new ATOM 0 HG3 GLN A 23 11.627 3.666 -13.751 1.00 1.35 H new ATOM 0 HE21 GLN A 23 11.974 1.681 -11.049 1.00 1.48 H new ATOM 0 HE22 GLN A 23 11.857 2.914 -9.788 1.00 1.48 H new ATOM 221 N SER A 24 6.517 1.792 -13.974 1.00 0.88 N ATOM 222 CA SER A 24 5.096 2.022 -14.296 1.00 0.84 C ATOM 223 C SER A 24 4.114 1.307 -13.360 1.00 0.67 C ATOM 224 O SER A 24 2.965 1.740 -13.247 1.00 0.64 O ATOM 225 CB SER A 24 4.820 1.633 -15.755 1.00 1.05 C ATOM 226 OG SER A 24 5.187 0.287 -16.011 1.00 1.65 O ATOM 0 H SER A 24 6.956 1.086 -14.565 1.00 0.88 H new ATOM 0 HA SER A 24 4.922 3.088 -14.148 1.00 0.84 H new ATOM 0 HB2 SER A 24 3.762 1.771 -15.976 1.00 1.05 H new ATOM 0 HB3 SER A 24 5.374 2.295 -16.421 1.00 1.05 H new ATOM 0 HG SER A 24 4.998 0.069 -16.948 1.00 1.65 H new ATOM 232 N CYS A 25 4.545 0.248 -12.665 1.00 0.66 N ATOM 233 CA CYS A 25 3.728 -0.483 -11.708 1.00 0.58 C ATOM 234 C CYS A 25 3.692 0.259 -10.348 1.00 0.43 C ATOM 235 O CYS A 25 2.641 0.414 -9.737 1.00 0.38 O ATOM 236 CB CYS A 25 4.307 -1.906 -11.614 1.00 0.71 C ATOM 237 SG CYS A 25 4.415 -2.863 -13.154 1.00 1.05 S ATOM 0 H CYS A 25 5.489 -0.126 -12.758 1.00 0.66 H new ATOM 0 HA CYS A 25 2.688 -0.547 -12.028 1.00 0.58 H new ATOM 0 HB2 CYS A 25 5.308 -1.836 -11.189 1.00 0.71 H new ATOM 0 HB3 CYS A 25 3.700 -2.471 -10.907 1.00 0.71 H new ATOM 242 N VAL A 26 4.845 0.781 -9.922 1.00 0.44 N ATOM 243 CA VAL A 26 5.065 1.643 -8.743 1.00 0.40 C ATOM 244 C VAL A 26 4.069 2.804 -8.762 1.00 0.36 C ATOM 245 O VAL A 26 3.328 3.005 -7.804 1.00 0.35 O ATOM 246 CB VAL A 26 6.512 2.204 -8.750 1.00 0.55 C ATOM 247 CG1 VAL A 26 7.106 2.374 -7.358 1.00 0.54 C ATOM 248 CG2 VAL A 26 7.484 1.331 -9.517 1.00 0.82 C ATOM 0 H VAL A 26 5.715 0.604 -10.423 1.00 0.44 H new ATOM 0 HA VAL A 26 4.919 1.049 -7.841 1.00 0.40 H new ATOM 0 HB VAL A 26 6.395 3.174 -9.234 1.00 0.55 H new ATOM 0 HG11 VAL A 26 8.118 2.770 -7.440 1.00 0.54 H new ATOM 0 HG12 VAL A 26 6.491 3.066 -6.782 1.00 0.54 H new ATOM 0 HG13 VAL A 26 7.134 1.408 -6.854 1.00 0.54 H new ATOM 0 HG21 VAL A 26 8.478 1.778 -9.484 1.00 0.82 H new ATOM 0 HG22 VAL A 26 7.517 0.339 -9.066 1.00 0.82 H new ATOM 0 HG23 VAL A 26 7.158 1.247 -10.554 1.00 0.82 H new ATOM 258 N ASP A 27 3.989 3.495 -9.904 1.00 0.38 N ATOM 259 CA ASP A 27 3.043 4.578 -10.192 1.00 0.39 C ATOM 260 C ASP A 27 1.582 4.136 -10.067 1.00 0.35 C ATOM 261 O ASP A 27 0.757 4.854 -9.505 1.00 0.41 O ATOM 262 CB ASP A 27 3.298 5.030 -11.634 1.00 0.51 C ATOM 263 CG ASP A 27 2.650 6.366 -12.001 1.00 1.19 C ATOM 264 OD1 ASP A 27 3.028 7.412 -11.415 1.00 1.77 O ATOM 265 OD2 ASP A 27 1.793 6.370 -12.915 1.00 2.54 O ATOM 0 H ASP A 27 4.611 3.305 -10.690 1.00 0.38 H new ATOM 0 HA ASP A 27 3.199 5.378 -9.468 1.00 0.39 H new ATOM 0 HB2 ASP A 27 4.374 5.106 -11.793 1.00 0.51 H new ATOM 0 HB3 ASP A 27 2.928 4.262 -12.313 1.00 0.51 H new ATOM 270 N ALA A 28 1.278 2.933 -10.555 1.00 0.31 N ATOM 271 CA ALA A 28 -0.091 2.424 -10.597 1.00 0.33 C ATOM 272 C ALA A 28 -0.587 2.057 -9.194 1.00 0.32 C ATOM 273 O ALA A 28 -1.650 2.512 -8.762 1.00 0.40 O ATOM 274 CB ALA A 28 -0.156 1.240 -11.566 1.00 0.37 C ATOM 0 H ALA A 28 1.972 2.287 -10.931 1.00 0.31 H new ATOM 0 HA ALA A 28 -0.760 3.203 -10.962 1.00 0.33 H new ATOM 0 HB1 ALA A 28 -1.175 0.855 -11.602 1.00 0.37 H new ATOM 0 HB2 ALA A 28 0.144 1.568 -12.561 1.00 0.37 H new ATOM 0 HB3 ALA A 28 0.517 0.453 -11.225 1.00 0.37 H new ATOM 280 N VAL A 29 0.214 1.307 -8.426 1.00 0.30 N ATOM 281 CA VAL A 29 -0.154 0.912 -7.077 1.00 0.37 C ATOM 282 C VAL A 29 -0.189 2.126 -6.141 1.00 0.41 C ATOM 283 O VAL A 29 -1.111 2.225 -5.337 1.00 0.54 O ATOM 284 CB VAL A 29 0.732 -0.244 -6.572 1.00 0.46 C ATOM 285 CG1 VAL A 29 0.108 -0.867 -5.329 1.00 0.60 C ATOM 286 CG2 VAL A 29 0.822 -1.415 -7.565 1.00 0.49 C ATOM 0 H VAL A 29 1.126 0.964 -8.727 1.00 0.30 H new ATOM 0 HA VAL A 29 -1.170 0.516 -7.089 1.00 0.37 H new ATOM 0 HB VAL A 29 1.713 0.201 -6.405 1.00 0.46 H new ATOM 0 HG11 VAL A 29 0.738 -1.684 -4.976 1.00 0.60 H new ATOM 0 HG12 VAL A 29 0.021 -0.112 -4.548 1.00 0.60 H new ATOM 0 HG13 VAL A 29 -0.882 -1.252 -5.573 1.00 0.60 H new ATOM 0 HG21 VAL A 29 1.460 -2.196 -7.150 1.00 0.49 H new ATOM 0 HG22 VAL A 29 -0.175 -1.818 -7.744 1.00 0.49 H new ATOM 0 HG23 VAL A 29 1.245 -1.063 -8.506 1.00 0.49 H new ATOM 296 N ARG A 30 0.697 3.123 -6.313 1.00 0.35 N ATOM 297 CA ARG A 30 0.604 4.433 -5.634 1.00 0.42 C ATOM 298 C ARG A 30 -0.732 5.135 -5.898 1.00 0.49 C ATOM 299 O ARG A 30 -1.306 5.725 -4.988 1.00 0.57 O ATOM 300 CB ARG A 30 1.742 5.344 -6.156 1.00 0.41 C ATOM 301 CG ARG A 30 3.115 5.121 -5.505 1.00 0.40 C ATOM 302 CD ARG A 30 4.237 5.756 -6.362 1.00 0.47 C ATOM 303 NE ARG A 30 5.338 6.317 -5.554 1.00 0.92 N ATOM 304 CZ ARG A 30 5.289 7.381 -4.775 1.00 1.92 C ATOM 305 NH1 ARG A 30 4.320 8.245 -4.845 1.00 3.03 N ATOM 306 NH2 ARG A 30 6.215 7.592 -3.891 1.00 2.41 N ATOM 0 H ARG A 30 1.505 3.044 -6.931 1.00 0.35 H new ATOM 0 HA ARG A 30 0.686 4.255 -4.562 1.00 0.42 H new ATOM 0 HB2 ARG A 30 1.840 5.194 -7.231 1.00 0.41 H new ATOM 0 HB3 ARG A 30 1.451 6.383 -6.004 1.00 0.41 H new ATOM 0 HG2 ARG A 30 3.124 5.556 -4.505 1.00 0.40 H new ATOM 0 HG3 ARG A 30 3.299 4.053 -5.390 1.00 0.40 H new ATOM 0 HD2 ARG A 30 4.639 5.002 -7.039 1.00 0.47 H new ATOM 0 HD3 ARG A 30 3.810 6.545 -6.981 1.00 0.47 H new ATOM 0 HE ARG A 30 6.233 5.830 -5.603 1.00 0.92 H new ATOM 0 HH11 ARG A 30 3.565 8.111 -5.518 1.00 3.03 H new ATOM 0 HH12 ARG A 30 4.314 9.056 -4.227 1.00 3.03 H new ATOM 0 HH21 ARG A 30 6.988 6.933 -3.795 1.00 2.41 H new ATOM 0 HH22 ARG A 30 6.170 8.417 -3.292 1.00 2.41 H new ATOM 320 N LYS A 31 -1.262 5.064 -7.118 1.00 0.48 N ATOM 321 CA LYS A 31 -2.449 5.831 -7.542 1.00 0.51 C ATOM 322 C LYS A 31 -3.778 5.171 -7.178 1.00 0.55 C ATOM 323 O LYS A 31 -4.784 5.871 -7.058 1.00 0.60 O ATOM 324 CB LYS A 31 -2.271 6.254 -9.005 1.00 0.57 C ATOM 325 CG LYS A 31 -1.221 7.373 -8.944 1.00 0.57 C ATOM 326 CD LYS A 31 -0.667 7.881 -10.265 1.00 0.70 C ATOM 327 CE LYS A 31 0.307 8.979 -9.831 1.00 0.77 C ATOM 328 NZ LYS A 31 1.130 9.457 -10.960 1.00 1.09 N ATOM 0 H LYS A 31 -0.881 4.468 -7.853 1.00 0.48 H new ATOM 0 HA LYS A 31 -2.518 6.750 -6.960 1.00 0.51 H new ATOM 0 HB2 LYS A 31 -1.932 5.422 -9.622 1.00 0.57 H new ATOM 0 HB3 LYS A 31 -3.208 6.609 -9.435 1.00 0.57 H new ATOM 0 HG2 LYS A 31 -1.660 8.219 -8.414 1.00 0.57 H new ATOM 0 HG3 LYS A 31 -0.385 7.019 -8.341 1.00 0.57 H new ATOM 0 HD2 LYS A 31 -0.163 7.091 -10.821 1.00 0.70 H new ATOM 0 HD3 LYS A 31 -1.455 8.272 -10.909 1.00 0.70 H new ATOM 0 HE2 LYS A 31 -0.251 9.814 -9.408 1.00 0.77 H new ATOM 0 HE3 LYS A 31 0.957 8.598 -9.043 1.00 0.77 H new ATOM 0 HZ1 LYS A 31 1.600 10.346 -10.695 1.00 1.09 H new ATOM 0 HZ2 LYS A 31 1.848 8.742 -11.194 1.00 1.09 H new ATOM 0 HZ3 LYS A 31 0.522 9.621 -11.788 1.00 1.09 H new ATOM 342 N SER A 32 -3.764 3.872 -6.870 1.00 0.55 N ATOM 343 CA SER A 32 -4.829 3.212 -6.098 1.00 0.58 C ATOM 344 C SER A 32 -4.832 3.578 -4.594 1.00 0.63 C ATOM 345 O SER A 32 -5.815 3.280 -3.912 1.00 1.05 O ATOM 346 CB SER A 32 -4.733 1.694 -6.278 1.00 0.69 C ATOM 347 OG SER A 32 -5.892 1.055 -5.778 1.00 1.02 O ATOM 0 H SER A 32 -3.012 3.242 -7.149 1.00 0.55 H new ATOM 0 HA SER A 32 -5.775 3.581 -6.495 1.00 0.58 H new ATOM 0 HB2 SER A 32 -4.608 1.456 -7.334 1.00 0.69 H new ATOM 0 HB3 SER A 32 -3.852 1.317 -5.759 1.00 0.69 H new ATOM 0 HG SER A 32 -6.314 1.625 -5.102 1.00 1.02 H new ATOM 353 N LEU A 33 -3.773 4.216 -4.065 1.00 0.46 N ATOM 354 CA LEU A 33 -3.690 4.734 -2.682 1.00 0.48 C ATOM 355 C LEU A 33 -3.987 6.243 -2.610 1.00 0.46 C ATOM 356 O LEU A 33 -4.579 6.728 -1.646 1.00 0.53 O ATOM 357 CB LEU A 33 -2.280 4.482 -2.097 1.00 0.53 C ATOM 358 CG LEU A 33 -1.776 3.032 -2.150 1.00 0.42 C ATOM 359 CD1 LEU A 33 -0.277 2.953 -1.870 1.00 0.55 C ATOM 360 CD2 LEU A 33 -2.470 2.160 -1.123 1.00 0.54 C ATOM 0 H LEU A 33 -2.924 4.392 -4.602 1.00 0.46 H new ATOM 0 HA LEU A 33 -4.444 4.202 -2.101 1.00 0.48 H new ATOM 0 HB2 LEU A 33 -1.569 5.112 -2.631 1.00 0.53 H new ATOM 0 HB3 LEU A 33 -2.277 4.809 -1.057 1.00 0.53 H new ATOM 0 HG LEU A 33 -1.996 2.676 -3.156 1.00 0.42 H new ATOM 0 HD11 LEU A 33 0.047 1.913 -1.915 1.00 0.55 H new ATOM 0 HD12 LEU A 33 0.264 3.535 -2.617 1.00 0.55 H new ATOM 0 HD13 LEU A 33 -0.070 3.355 -0.878 1.00 0.55 H new ATOM 0 HD21 LEU A 33 -2.087 1.142 -1.192 1.00 0.54 H new ATOM 0 HD22 LEU A 33 -2.280 2.553 -0.124 1.00 0.54 H new ATOM 0 HD23 LEU A 33 -3.543 2.157 -1.314 1.00 0.54 H new ATOM 372 N GLN A 34 -3.557 6.990 -3.627 1.00 0.43 N ATOM 373 CA GLN A 34 -3.673 8.446 -3.691 1.00 0.51 C ATOM 374 C GLN A 34 -5.132 8.884 -3.849 1.00 0.56 C ATOM 375 O GLN A 34 -5.847 8.463 -4.764 1.00 0.60 O ATOM 376 CB GLN A 34 -2.764 8.960 -4.817 1.00 0.60 C ATOM 377 CG GLN A 34 -1.329 9.132 -4.293 1.00 1.03 C ATOM 378 CD GLN A 34 -0.262 9.220 -5.381 1.00 1.19 C ATOM 379 OE1 GLN A 34 -0.506 9.501 -6.545 1.00 1.57 O ATOM 380 NE2 GLN A 34 0.989 9.027 -5.040 1.00 1.44 N ATOM 0 H GLN A 34 -3.107 6.589 -4.450 1.00 0.43 H new ATOM 0 HA GLN A 34 -3.340 8.890 -2.753 1.00 0.51 H new ATOM 0 HB2 GLN A 34 -2.774 8.260 -5.652 1.00 0.60 H new ATOM 0 HB3 GLN A 34 -3.139 9.911 -5.194 1.00 0.60 H new ATOM 0 HG2 GLN A 34 -1.284 10.035 -3.684 1.00 1.03 H new ATOM 0 HG3 GLN A 34 -1.093 8.294 -3.637 1.00 1.03 H new ATOM 0 HE21 GLN A 34 1.224 8.791 -4.076 1.00 1.44 H new ATOM 0 HE22 GLN A 34 1.727 9.113 -5.739 1.00 1.44 H new ATOM 389 N GLY A 35 -5.562 9.756 -2.944 1.00 0.66 N ATOM 390 CA GLY A 35 -6.949 10.230 -2.827 1.00 0.78 C ATOM 391 C GLY A 35 -7.919 9.319 -2.049 1.00 0.74 C ATOM 392 O GLY A 35 -9.136 9.500 -2.147 1.00 0.93 O ATOM 0 H GLY A 35 -4.942 10.169 -2.248 1.00 0.66 H new ATOM 0 HA2 GLY A 35 -6.937 11.208 -2.345 1.00 0.78 H new ATOM 0 HA3 GLY A 35 -7.347 10.375 -3.831 1.00 0.78 H new ATOM 396 N VAL A 36 -7.430 8.340 -1.275 1.00 0.59 N ATOM 397 CA VAL A 36 -8.256 7.501 -0.398 1.00 0.61 C ATOM 398 C VAL A 36 -8.475 8.242 0.920 1.00 0.49 C ATOM 399 O VAL A 36 -7.536 8.757 1.528 1.00 0.40 O ATOM 400 CB VAL A 36 -7.619 6.112 -0.190 1.00 0.67 C ATOM 401 CG1 VAL A 36 -8.401 5.265 0.822 1.00 0.85 C ATOM 402 CG2 VAL A 36 -7.588 5.324 -1.509 1.00 0.84 C ATOM 0 H VAL A 36 -6.438 8.106 -1.241 1.00 0.59 H new ATOM 0 HA VAL A 36 -9.225 7.320 -0.864 1.00 0.61 H new ATOM 0 HB VAL A 36 -6.611 6.295 0.182 1.00 0.67 H new ATOM 0 HG11 VAL A 36 -7.916 4.296 0.937 1.00 0.85 H new ATOM 0 HG12 VAL A 36 -8.423 5.776 1.785 1.00 0.85 H new ATOM 0 HG13 VAL A 36 -9.421 5.121 0.465 1.00 0.85 H new ATOM 0 HG21 VAL A 36 -7.135 4.347 -1.339 1.00 0.84 H new ATOM 0 HG22 VAL A 36 -8.605 5.193 -1.878 1.00 0.84 H new ATOM 0 HG23 VAL A 36 -7.002 5.872 -2.247 1.00 0.84 H new ATOM 412 N ALA A 37 -9.727 8.308 1.357 1.00 0.63 N ATOM 413 CA ALA A 37 -10.127 9.011 2.575 1.00 0.69 C ATOM 414 C ALA A 37 -9.620 8.283 3.834 1.00 0.68 C ATOM 415 O ALA A 37 -10.013 7.147 4.112 1.00 0.83 O ATOM 416 CB ALA A 37 -11.650 9.184 2.575 1.00 0.97 C ATOM 0 H ALA A 37 -10.507 7.868 0.869 1.00 0.63 H new ATOM 0 HA ALA A 37 -9.668 9.999 2.593 1.00 0.69 H new ATOM 0 HB1 ALA A 37 -11.957 9.708 3.480 1.00 0.97 H new ATOM 0 HB2 ALA A 37 -11.950 9.763 1.702 1.00 0.97 H new ATOM 0 HB3 ALA A 37 -12.127 8.205 2.543 1.00 0.97 H new ATOM 422 N GLY A 38 -8.765 8.951 4.610 1.00 0.62 N ATOM 423 CA GLY A 38 -8.060 8.390 5.766 1.00 0.63 C ATOM 424 C GLY A 38 -6.599 8.009 5.490 1.00 0.47 C ATOM 425 O GLY A 38 -5.958 7.419 6.362 1.00 0.42 O ATOM 0 H GLY A 38 -8.536 9.931 4.446 1.00 0.62 H new ATOM 0 HA2 GLY A 38 -8.087 9.114 6.580 1.00 0.63 H new ATOM 0 HA3 GLY A 38 -8.596 7.505 6.109 1.00 0.63 H new ATOM 429 N VAL A 39 -6.043 8.329 4.313 1.00 0.44 N ATOM 430 CA VAL A 39 -4.591 8.294 4.056 1.00 0.42 C ATOM 431 C VAL A 39 -3.950 9.643 4.415 1.00 0.51 C ATOM 432 O VAL A 39 -4.574 10.698 4.273 1.00 0.80 O ATOM 433 CB VAL A 39 -4.286 7.860 2.600 1.00 0.51 C ATOM 434 CG1 VAL A 39 -4.268 9.009 1.585 1.00 1.52 C ATOM 435 CG2 VAL A 39 -2.948 7.116 2.506 1.00 1.59 C ATOM 0 H VAL A 39 -6.591 8.622 3.504 1.00 0.44 H new ATOM 0 HA VAL A 39 -4.142 7.539 4.701 1.00 0.42 H new ATOM 0 HB VAL A 39 -5.116 7.203 2.339 1.00 0.51 H new ATOM 0 HG11 VAL A 39 -4.047 8.615 0.593 1.00 1.52 H new ATOM 0 HG12 VAL A 39 -5.242 9.499 1.572 1.00 1.52 H new ATOM 0 HG13 VAL A 39 -3.502 9.732 1.867 1.00 1.52 H new ATOM 0 HG21 VAL A 39 -2.765 6.826 1.471 1.00 1.59 H new ATOM 0 HG22 VAL A 39 -2.144 7.768 2.848 1.00 1.59 H new ATOM 0 HG23 VAL A 39 -2.983 6.224 3.132 1.00 1.59 H new ATOM 445 N GLN A 40 -2.705 9.616 4.882 1.00 0.43 N ATOM 446 CA GLN A 40 -1.800 10.766 4.992 1.00 0.53 C ATOM 447 C GLN A 40 -0.690 10.716 3.939 1.00 0.52 C ATOM 448 O GLN A 40 -0.457 11.690 3.222 1.00 0.64 O ATOM 449 CB GLN A 40 -1.199 10.761 6.407 1.00 0.69 C ATOM 450 CG GLN A 40 -2.075 11.550 7.383 1.00 0.94 C ATOM 451 CD GLN A 40 -1.874 13.060 7.292 1.00 1.90 C ATOM 452 OE1 GLN A 40 -0.853 13.570 6.845 1.00 3.06 O ATOM 453 NE2 GLN A 40 -2.794 13.843 7.789 1.00 2.01 N ATOM 0 H GLN A 40 -2.275 8.752 5.211 1.00 0.43 H new ATOM 0 HA GLN A 40 -2.360 11.685 4.815 1.00 0.53 H new ATOM 0 HB2 GLN A 40 -1.094 9.734 6.757 1.00 0.69 H new ATOM 0 HB3 GLN A 40 -0.198 11.193 6.382 1.00 0.69 H new ATOM 0 HG2 GLN A 40 -3.122 11.318 7.189 1.00 0.94 H new ATOM 0 HG3 GLN A 40 -1.859 11.223 8.400 1.00 0.94 H new ATOM 0 HE21 GLN A 40 -3.653 13.444 8.167 1.00 2.01 H new ATOM 0 HE22 GLN A 40 -2.653 14.853 7.799 1.00 2.01 H new ATOM 462 N ASP A 41 -0.002 9.579 3.840 1.00 0.46 N ATOM 463 CA ASP A 41 1.191 9.406 3.013 1.00 0.49 C ATOM 464 C ASP A 41 1.367 7.954 2.551 1.00 0.44 C ATOM 465 O ASP A 41 0.781 7.006 3.078 1.00 0.43 O ATOM 466 CB ASP A 41 2.448 9.861 3.786 1.00 0.58 C ATOM 467 CG ASP A 41 2.695 11.369 3.711 1.00 0.90 C ATOM 468 OD1 ASP A 41 3.094 11.829 2.613 1.00 2.40 O ATOM 469 OD2 ASP A 41 2.568 12.083 4.738 1.00 1.60 O ATOM 0 H ASP A 41 -0.265 8.733 4.345 1.00 0.46 H new ATOM 0 HA ASP A 41 1.060 10.025 2.125 1.00 0.49 H new ATOM 0 HB2 ASP A 41 2.348 9.568 4.831 1.00 0.58 H new ATOM 0 HB3 ASP A 41 3.318 9.338 3.390 1.00 0.58 H new ATOM 474 N VAL A 42 2.251 7.807 1.575 1.00 0.45 N ATOM 475 CA VAL A 42 2.739 6.555 0.989 1.00 0.47 C ATOM 476 C VAL A 42 4.262 6.637 0.928 1.00 0.39 C ATOM 477 O VAL A 42 4.832 7.709 0.700 1.00 0.45 O ATOM 478 CB VAL A 42 2.193 6.374 -0.450 1.00 0.74 C ATOM 479 CG1 VAL A 42 2.664 5.079 -1.131 1.00 3.02 C ATOM 480 CG2 VAL A 42 0.663 6.365 -0.491 1.00 1.66 C ATOM 0 H VAL A 42 2.682 8.619 1.134 1.00 0.45 H new ATOM 0 HA VAL A 42 2.406 5.712 1.595 1.00 0.47 H new ATOM 0 HB VAL A 42 2.593 7.233 -0.989 1.00 0.74 H new ATOM 0 HG11 VAL A 42 2.242 5.021 -2.134 1.00 3.02 H new ATOM 0 HG12 VAL A 42 3.752 5.076 -1.194 1.00 3.02 H new ATOM 0 HG13 VAL A 42 2.332 4.220 -0.548 1.00 3.02 H new ATOM 0 HG21 VAL A 42 0.327 6.236 -1.520 1.00 1.66 H new ATOM 0 HG22 VAL A 42 0.288 5.543 0.119 1.00 1.66 H new ATOM 0 HG23 VAL A 42 0.283 7.309 -0.101 1.00 1.66 H new ATOM 490 N GLU A 43 4.930 5.499 1.058 1.00 0.44 N ATOM 491 CA GLU A 43 6.304 5.340 0.582 1.00 0.56 C ATOM 492 C GLU A 43 6.491 3.926 0.019 1.00 0.65 C ATOM 493 O GLU A 43 6.504 2.940 0.748 1.00 0.96 O ATOM 494 CB GLU A 43 7.292 5.703 1.708 1.00 0.58 C ATOM 495 CG GLU A 43 8.749 5.541 1.279 1.00 0.78 C ATOM 496 CD GLU A 43 9.686 6.510 2.015 1.00 1.59 C ATOM 497 OE1 GLU A 43 10.149 6.215 3.147 1.00 2.72 O ATOM 498 OE2 GLU A 43 9.991 7.590 1.453 1.00 2.20 O ATOM 0 H GLU A 43 4.541 4.663 1.493 1.00 0.44 H new ATOM 0 HA GLU A 43 6.514 6.028 -0.237 1.00 0.56 H new ATOM 0 HB2 GLU A 43 7.120 6.733 2.020 1.00 0.58 H new ATOM 0 HB3 GLU A 43 7.099 5.071 2.575 1.00 0.58 H new ATOM 0 HG2 GLU A 43 9.069 4.516 1.468 1.00 0.78 H new ATOM 0 HG3 GLU A 43 8.829 5.707 0.205 1.00 0.78 H new ATOM 505 N VAL A 44 6.641 3.809 -1.299 1.00 0.46 N ATOM 506 CA VAL A 44 6.925 2.535 -1.968 1.00 0.47 C ATOM 507 C VAL A 44 8.425 2.355 -2.146 1.00 0.50 C ATOM 508 O VAL A 44 9.128 3.240 -2.643 1.00 0.51 O ATOM 509 CB VAL A 44 6.119 2.340 -3.263 1.00 0.59 C ATOM 510 CG1 VAL A 44 6.065 3.558 -4.168 1.00 1.70 C ATOM 511 CG2 VAL A 44 6.614 1.162 -4.104 1.00 2.30 C ATOM 0 H VAL A 44 6.569 4.599 -1.940 1.00 0.46 H new ATOM 0 HA VAL A 44 6.579 1.731 -1.319 1.00 0.47 H new ATOM 0 HB VAL A 44 5.115 2.144 -2.888 1.00 0.59 H new ATOM 0 HG11 VAL A 44 5.476 3.326 -5.055 1.00 1.70 H new ATOM 0 HG12 VAL A 44 5.604 4.389 -3.633 1.00 1.70 H new ATOM 0 HG13 VAL A 44 7.076 3.835 -4.466 1.00 1.70 H new ATOM 0 HG21 VAL A 44 6.005 1.076 -5.004 1.00 2.30 H new ATOM 0 HG22 VAL A 44 7.655 1.327 -4.384 1.00 2.30 H new ATOM 0 HG23 VAL A 44 6.535 0.242 -3.524 1.00 2.30 H new ATOM 521 N HIS A 45 8.878 1.168 -1.761 1.00 0.58 N ATOM 522 CA HIS A 45 10.220 0.655 -1.986 1.00 0.55 C ATOM 523 C HIS A 45 10.170 -0.462 -3.036 1.00 0.48 C ATOM 524 O HIS A 45 10.044 -1.650 -2.716 1.00 0.44 O ATOM 525 CB HIS A 45 10.825 0.151 -0.659 1.00 0.60 C ATOM 526 CG HIS A 45 11.136 1.194 0.393 1.00 0.70 C ATOM 527 ND1 HIS A 45 12.372 1.364 0.973 1.00 1.02 N ATOM 528 CD2 HIS A 45 10.276 2.047 1.043 1.00 0.67 C ATOM 529 CE1 HIS A 45 12.279 2.310 1.918 1.00 1.15 C ATOM 530 NE2 HIS A 45 11.021 2.783 1.979 1.00 0.92 N ATOM 0 H HIS A 45 8.288 0.505 -1.258 1.00 0.58 H new ATOM 0 HA HIS A 45 10.860 1.453 -2.361 1.00 0.55 H new ATOM 0 HB2 HIS A 45 10.135 -0.573 -0.225 1.00 0.60 H new ATOM 0 HB3 HIS A 45 11.746 -0.385 -0.888 1.00 0.60 H new ATOM 0 HD2 HIS A 45 9.214 2.136 0.865 1.00 0.67 H new ATOM 0 HE1 HIS A 45 13.096 2.644 2.540 1.00 1.15 H new ATOM 0 HE2 HIS A 45 10.677 3.528 2.585 1.00 0.92 H new ATOM 538 N LEU A 46 10.265 -0.071 -4.309 1.00 0.52 N ATOM 539 CA LEU A 46 10.240 -0.981 -5.457 1.00 0.49 C ATOM 540 C LEU A 46 11.337 -2.048 -5.361 1.00 0.35 C ATOM 541 O LEU A 46 11.099 -3.214 -5.672 1.00 0.47 O ATOM 542 CB LEU A 46 10.409 -0.106 -6.713 1.00 0.65 C ATOM 543 CG LEU A 46 10.182 -0.759 -8.094 1.00 0.80 C ATOM 544 CD1 LEU A 46 11.448 -1.409 -8.642 1.00 1.55 C ATOM 545 CD2 LEU A 46 9.039 -1.777 -8.126 1.00 0.91 C ATOM 0 H LEU A 46 10.364 0.908 -4.576 1.00 0.52 H new ATOM 0 HA LEU A 46 9.300 -1.532 -5.491 1.00 0.49 H new ATOM 0 HB2 LEU A 46 9.723 0.737 -6.626 1.00 0.65 H new ATOM 0 HB3 LEU A 46 11.419 0.303 -6.700 1.00 0.65 H new ATOM 0 HG LEU A 46 9.894 0.074 -8.735 1.00 0.80 H new ATOM 0 HD11 LEU A 46 11.237 -1.854 -9.614 1.00 1.55 H new ATOM 0 HD12 LEU A 46 12.227 -0.654 -8.750 1.00 1.55 H new ATOM 0 HD13 LEU A 46 11.786 -2.184 -7.954 1.00 1.55 H new ATOM 0 HD21 LEU A 46 8.946 -2.188 -9.131 1.00 0.91 H new ATOM 0 HD22 LEU A 46 9.249 -2.582 -7.422 1.00 0.91 H new ATOM 0 HD23 LEU A 46 8.107 -1.286 -7.847 1.00 0.91 H new ATOM 557 N GLU A 47 12.514 -1.669 -4.862 1.00 0.32 N ATOM 558 CA GLU A 47 13.670 -2.570 -4.710 1.00 0.46 C ATOM 559 C GLU A 47 13.512 -3.632 -3.595 1.00 0.54 C ATOM 560 O GLU A 47 14.327 -4.555 -3.516 1.00 0.79 O ATOM 561 CB GLU A 47 14.966 -1.761 -4.524 1.00 0.67 C ATOM 562 CG GLU A 47 15.325 -0.890 -5.738 1.00 0.92 C ATOM 563 CD GLU A 47 16.756 -0.338 -5.644 1.00 1.95 C ATOM 564 OE1 GLU A 47 17.174 0.110 -4.546 1.00 2.36 O ATOM 565 OE2 GLU A 47 17.473 -0.340 -6.674 1.00 3.32 O ATOM 0 H GLU A 47 12.699 -0.717 -4.546 1.00 0.32 H new ATOM 0 HA GLU A 47 13.726 -3.138 -5.639 1.00 0.46 H new ATOM 0 HB2 GLU A 47 14.864 -1.123 -3.646 1.00 0.67 H new ATOM 0 HB3 GLU A 47 15.788 -2.448 -4.324 1.00 0.67 H new ATOM 0 HG2 GLU A 47 15.222 -1.478 -6.650 1.00 0.92 H new ATOM 0 HG3 GLU A 47 14.620 -0.062 -5.812 1.00 0.92 H new ATOM 572 N ASP A 48 12.466 -3.554 -2.760 1.00 0.40 N ATOM 573 CA ASP A 48 12.037 -4.589 -1.813 1.00 0.39 C ATOM 574 C ASP A 48 10.636 -5.155 -2.134 1.00 0.28 C ATOM 575 O ASP A 48 10.119 -5.976 -1.374 1.00 0.34 O ATOM 576 CB ASP A 48 12.089 -4.003 -0.391 1.00 0.53 C ATOM 577 CG ASP A 48 13.293 -4.540 0.383 1.00 1.15 C ATOM 578 OD1 ASP A 48 13.196 -5.634 0.992 1.00 1.64 O ATOM 579 OD2 ASP A 48 14.369 -3.893 0.352 1.00 2.08 O ATOM 0 H ASP A 48 11.869 -2.728 -2.726 1.00 0.40 H new ATOM 0 HA ASP A 48 12.719 -5.435 -1.896 1.00 0.39 H new ATOM 0 HB2 ASP A 48 12.143 -2.916 -0.444 1.00 0.53 H new ATOM 0 HB3 ASP A 48 11.171 -4.251 0.141 1.00 0.53 H new ATOM 584 N GLN A 49 10.005 -4.698 -3.224 1.00 0.24 N ATOM 585 CA GLN A 49 8.583 -4.904 -3.545 1.00 0.23 C ATOM 586 C GLN A 49 7.635 -4.544 -2.381 1.00 0.25 C ATOM 587 O GLN A 49 6.570 -5.143 -2.213 1.00 0.43 O ATOM 588 CB GLN A 49 8.326 -6.313 -4.108 1.00 0.30 C ATOM 589 CG GLN A 49 9.223 -6.710 -5.291 1.00 0.35 C ATOM 590 CD GLN A 49 10.606 -7.200 -4.870 1.00 1.30 C ATOM 591 OE1 GLN A 49 10.750 -8.122 -4.075 1.00 1.66 O ATOM 592 NE2 GLN A 49 11.666 -6.613 -5.378 1.00 2.41 N ATOM 0 H GLN A 49 10.490 -4.152 -3.936 1.00 0.24 H new ATOM 0 HA GLN A 49 8.342 -4.195 -4.337 1.00 0.23 H new ATOM 0 HB2 GLN A 49 8.463 -7.039 -3.307 1.00 0.30 H new ATOM 0 HB3 GLN A 49 7.284 -6.378 -4.423 1.00 0.30 H new ATOM 0 HG2 GLN A 49 8.728 -7.493 -5.865 1.00 0.35 H new ATOM 0 HG3 GLN A 49 9.337 -5.852 -5.954 1.00 0.35 H new ATOM 0 HE21 GLN A 49 11.556 -5.845 -6.040 1.00 2.41 H new ATOM 0 HE22 GLN A 49 12.599 -6.925 -5.110 1.00 2.41 H new ATOM 601 N MET A 50 8.040 -3.569 -1.560 1.00 0.27 N ATOM 602 CA MET A 50 7.369 -3.187 -0.319 1.00 0.28 C ATOM 603 C MET A 50 6.677 -1.831 -0.452 1.00 0.31 C ATOM 604 O MET A 50 7.174 -0.935 -1.131 1.00 0.44 O ATOM 605 CB MET A 50 8.373 -3.220 0.845 1.00 0.37 C ATOM 606 CG MET A 50 7.753 -2.770 2.179 1.00 0.42 C ATOM 607 SD MET A 50 8.527 -3.437 3.672 1.00 0.95 S ATOM 608 CE MET A 50 7.937 -5.141 3.513 1.00 0.67 C ATOM 0 H MET A 50 8.870 -3.008 -1.750 1.00 0.27 H new ATOM 0 HA MET A 50 6.581 -3.909 -0.105 1.00 0.28 H new ATOM 0 HB2 MET A 50 8.763 -4.232 0.954 1.00 0.37 H new ATOM 0 HB3 MET A 50 9.220 -2.576 0.607 1.00 0.37 H new ATOM 0 HG2 MET A 50 7.792 -1.682 2.227 1.00 0.42 H new ATOM 0 HG3 MET A 50 6.700 -3.051 2.182 1.00 0.42 H new ATOM 0 HE1 MET A 50 7.974 -5.631 4.486 1.00 0.67 H new ATOM 0 HE2 MET A 50 6.910 -5.138 3.147 1.00 0.67 H new ATOM 0 HE3 MET A 50 8.571 -5.681 2.810 1.00 0.67 H new ATOM 618 N VAL A 51 5.542 -1.655 0.222 1.00 0.25 N ATOM 619 CA VAL A 51 4.787 -0.404 0.244 1.00 0.31 C ATOM 620 C VAL A 51 4.392 -0.031 1.671 1.00 0.25 C ATOM 621 O VAL A 51 3.675 -0.777 2.338 1.00 0.30 O ATOM 622 CB VAL A 51 3.554 -0.482 -0.679 1.00 0.45 C ATOM 623 CG1 VAL A 51 3.045 0.939 -0.914 1.00 0.69 C ATOM 624 CG2 VAL A 51 3.882 -1.037 -2.070 1.00 0.95 C ATOM 0 H VAL A 51 5.113 -2.393 0.780 1.00 0.25 H new ATOM 0 HA VAL A 51 5.433 0.386 -0.139 1.00 0.31 H new ATOM 0 HB VAL A 51 2.834 -1.137 -0.189 1.00 0.45 H new ATOM 0 HG11 VAL A 51 2.171 0.910 -1.565 1.00 0.69 H new ATOM 0 HG12 VAL A 51 2.771 1.390 0.040 1.00 0.69 H new ATOM 0 HG13 VAL A 51 3.829 1.533 -1.385 1.00 0.69 H new ATOM 0 HG21 VAL A 51 2.974 -1.068 -2.673 1.00 0.95 H new ATOM 0 HG22 VAL A 51 4.618 -0.395 -2.554 1.00 0.95 H new ATOM 0 HG23 VAL A 51 4.288 -2.044 -1.974 1.00 0.95 H new ATOM 634 N LEU A 52 4.846 1.141 2.120 1.00 0.41 N ATOM 635 CA LEU A 52 4.350 1.827 3.305 1.00 0.31 C ATOM 636 C LEU A 52 3.108 2.634 2.937 1.00 0.28 C ATOM 637 O LEU A 52 3.092 3.365 1.943 1.00 0.35 O ATOM 638 CB LEU A 52 5.403 2.774 3.912 1.00 0.35 C ATOM 639 CG LEU A 52 6.674 2.114 4.487 1.00 0.42 C ATOM 640 CD1 LEU A 52 7.752 1.805 3.448 1.00 0.95 C ATOM 641 CD2 LEU A 52 7.311 3.045 5.521 1.00 1.06 C ATOM 0 H LEU A 52 5.594 1.652 1.650 1.00 0.41 H new ATOM 0 HA LEU A 52 4.113 1.068 4.051 1.00 0.31 H new ATOM 0 HB2 LEU A 52 5.706 3.485 3.143 1.00 0.35 H new ATOM 0 HB3 LEU A 52 4.927 3.348 4.707 1.00 0.35 H new ATOM 0 HG LEU A 52 6.337 1.169 4.914 1.00 0.42 H new ATOM 0 HD11 LEU A 52 8.609 1.343 3.939 1.00 0.95 H new ATOM 0 HD12 LEU A 52 7.351 1.122 2.700 1.00 0.95 H new ATOM 0 HD13 LEU A 52 8.066 2.730 2.964 1.00 0.95 H new ATOM 0 HD21 LEU A 52 8.209 2.578 5.927 1.00 1.06 H new ATOM 0 HD22 LEU A 52 7.576 3.989 5.046 1.00 1.06 H new ATOM 0 HD23 LEU A 52 6.603 3.231 6.328 1.00 1.06 H new ATOM 653 N VAL A 53 2.086 2.526 3.777 1.00 0.24 N ATOM 654 CA VAL A 53 0.817 3.241 3.692 1.00 0.26 C ATOM 655 C VAL A 53 0.528 3.805 5.081 1.00 0.24 C ATOM 656 O VAL A 53 0.283 3.054 6.025 1.00 0.25 O ATOM 657 CB VAL A 53 -0.307 2.306 3.199 1.00 0.27 C ATOM 658 CG1 VAL A 53 -1.600 3.100 2.974 1.00 0.28 C ATOM 659 CG2 VAL A 53 0.046 1.602 1.881 1.00 0.31 C ATOM 0 H VAL A 53 2.122 1.901 4.582 1.00 0.24 H new ATOM 0 HA VAL A 53 0.871 4.053 2.967 1.00 0.26 H new ATOM 0 HB VAL A 53 -0.438 1.553 3.976 1.00 0.27 H new ATOM 0 HG11 VAL A 53 -2.384 2.427 2.626 1.00 0.28 H new ATOM 0 HG12 VAL A 53 -1.909 3.565 3.910 1.00 0.28 H new ATOM 0 HG13 VAL A 53 -1.427 3.873 2.225 1.00 0.28 H new ATOM 0 HG21 VAL A 53 -0.780 0.957 1.581 1.00 0.31 H new ATOM 0 HG22 VAL A 53 0.224 2.348 1.106 1.00 0.31 H new ATOM 0 HG23 VAL A 53 0.945 1.001 2.019 1.00 0.31 H new ATOM 669 N HIS A 54 0.605 5.125 5.209 1.00 0.25 N ATOM 670 CA HIS A 54 0.384 5.875 6.444 1.00 0.26 C ATOM 671 C HIS A 54 -1.103 6.264 6.517 1.00 0.25 C ATOM 672 O HIS A 54 -1.539 7.193 5.830 1.00 0.28 O ATOM 673 CB HIS A 54 1.322 7.101 6.441 1.00 0.34 C ATOM 674 CG HIS A 54 2.799 6.787 6.323 1.00 0.39 C ATOM 675 ND1 HIS A 54 3.740 6.962 7.310 1.00 0.51 N ATOM 676 CD2 HIS A 54 3.470 6.331 5.218 1.00 0.42 C ATOM 677 CE1 HIS A 54 4.934 6.585 6.830 1.00 0.60 C ATOM 678 NE2 HIS A 54 4.828 6.206 5.545 1.00 0.54 N ATOM 0 H HIS A 54 0.833 5.730 4.420 1.00 0.25 H new ATOM 0 HA HIS A 54 0.614 5.283 7.330 1.00 0.26 H new ATOM 0 HB2 HIS A 54 1.039 7.752 5.614 1.00 0.34 H new ATOM 0 HB3 HIS A 54 1.160 7.664 7.360 1.00 0.34 H new ATOM 0 HD2 HIS A 54 3.028 6.106 4.259 1.00 0.42 H new ATOM 0 HE1 HIS A 54 5.853 6.586 7.397 1.00 0.60 H new ATOM 0 HE2 HIS A 54 5.581 5.892 4.933 1.00 0.54 H new ATOM 686 N THR A 55 -1.919 5.518 7.272 1.00 0.24 N ATOM 687 CA THR A 55 -3.392 5.609 7.210 1.00 0.25 C ATOM 688 C THR A 55 -4.108 5.223 8.513 1.00 0.27 C ATOM 689 O THR A 55 -3.583 4.455 9.318 1.00 0.30 O ATOM 690 CB THR A 55 -3.910 4.729 6.055 1.00 0.30 C ATOM 691 OG1 THR A 55 -5.304 4.841 5.918 1.00 0.36 O ATOM 692 CG2 THR A 55 -3.614 3.235 6.212 1.00 0.33 C ATOM 0 H THR A 55 -1.580 4.831 7.946 1.00 0.24 H new ATOM 0 HA THR A 55 -3.624 6.661 7.042 1.00 0.25 H new ATOM 0 HB THR A 55 -3.375 5.105 5.183 1.00 0.30 H new ATOM 0 HG1 THR A 55 -5.556 5.788 5.901 1.00 0.36 H new ATOM 0 HG21 THR A 55 -4.014 2.693 5.355 1.00 0.33 H new ATOM 0 HG22 THR A 55 -2.536 3.082 6.268 1.00 0.33 H new ATOM 0 HG23 THR A 55 -4.081 2.866 7.125 1.00 0.33 H new ATOM 700 N THR A 56 -5.338 5.710 8.724 1.00 0.28 N ATOM 701 CA THR A 56 -6.214 5.249 9.826 1.00 0.30 C ATOM 702 C THR A 56 -6.927 3.927 9.501 1.00 0.35 C ATOM 703 O THR A 56 -7.508 3.320 10.396 1.00 0.46 O ATOM 704 CB THR A 56 -7.240 6.316 10.287 1.00 0.36 C ATOM 705 OG1 THR A 56 -8.379 6.325 9.449 1.00 0.60 O ATOM 706 CG2 THR A 56 -6.689 7.735 10.290 1.00 0.43 C ATOM 0 H THR A 56 -5.759 6.433 8.141 1.00 0.28 H new ATOM 0 HA THR A 56 -5.536 5.072 10.661 1.00 0.30 H new ATOM 0 HB THR A 56 -7.491 6.028 11.308 1.00 0.36 H new ATOM 0 HG1 THR A 56 -9.011 7.005 9.763 1.00 0.60 H new ATOM 0 HG21 THR A 56 -7.464 8.425 10.624 1.00 0.43 H new ATOM 0 HG22 THR A 56 -5.836 7.793 10.966 1.00 0.43 H new ATOM 0 HG23 THR A 56 -6.372 8.004 9.282 1.00 0.43 H new ATOM 714 N LEU A 57 -6.903 3.468 8.243 1.00 0.34 N ATOM 715 CA LEU A 57 -7.653 2.296 7.768 1.00 0.36 C ATOM 716 C LEU A 57 -7.104 0.966 8.334 1.00 0.42 C ATOM 717 O LEU A 57 -5.889 0.859 8.535 1.00 0.56 O ATOM 718 CB LEU A 57 -7.638 2.282 6.226 1.00 0.34 C ATOM 719 CG LEU A 57 -8.335 3.491 5.567 1.00 0.31 C ATOM 720 CD1 LEU A 57 -8.154 3.412 4.053 1.00 0.44 C ATOM 721 CD2 LEU A 57 -9.837 3.535 5.857 1.00 0.37 C ATOM 0 H LEU A 57 -6.349 3.911 7.510 1.00 0.34 H new ATOM 0 HA LEU A 57 -8.677 2.380 8.132 1.00 0.36 H new ATOM 0 HB2 LEU A 57 -6.603 2.246 5.886 1.00 0.34 H new ATOM 0 HB3 LEU A 57 -8.120 1.368 5.879 1.00 0.34 H new ATOM 0 HG LEU A 57 -7.877 4.388 5.984 1.00 0.31 H new ATOM 0 HD11 LEU A 57 -8.645 4.264 3.583 1.00 0.44 H new ATOM 0 HD12 LEU A 57 -7.091 3.427 3.812 1.00 0.44 H new ATOM 0 HD13 LEU A 57 -8.597 2.488 3.681 1.00 0.44 H new ATOM 0 HD21 LEU A 57 -10.276 4.405 5.369 1.00 0.37 H new ATOM 0 HD22 LEU A 57 -10.308 2.629 5.476 1.00 0.37 H new ATOM 0 HD23 LEU A 57 -9.998 3.602 6.933 1.00 0.37 H new ATOM 733 N PRO A 58 -7.945 -0.069 8.551 1.00 0.39 N ATOM 734 CA PRO A 58 -7.513 -1.362 9.077 1.00 0.41 C ATOM 735 C PRO A 58 -6.886 -2.180 7.951 1.00 0.28 C ATOM 736 O PRO A 58 -7.397 -2.180 6.828 1.00 0.31 O ATOM 737 CB PRO A 58 -8.777 -2.059 9.613 1.00 0.54 C ATOM 738 CG PRO A 58 -9.873 -0.996 9.507 1.00 0.60 C ATOM 739 CD PRO A 58 -9.380 -0.154 8.337 1.00 0.41 C ATOM 0 HA PRO A 58 -6.769 -1.253 9.867 1.00 0.41 H new ATOM 0 HB2 PRO A 58 -9.023 -2.943 9.025 1.00 0.54 H new ATOM 0 HB3 PRO A 58 -8.642 -2.389 10.643 1.00 0.54 H new ATOM 0 HG2 PRO A 58 -10.851 -1.436 9.311 1.00 0.60 H new ATOM 0 HG3 PRO A 58 -9.964 -0.411 10.422 1.00 0.60 H new ATOM 0 HD2 PRO A 58 -9.615 -0.622 7.381 1.00 0.41 H new ATOM 0 HD3 PRO A 58 -9.843 0.833 8.331 1.00 0.41 H new ATOM 747 N SER A 59 -5.832 -2.947 8.226 1.00 0.29 N ATOM 748 CA SER A 59 -5.146 -3.742 7.194 1.00 0.35 C ATOM 749 C SER A 59 -6.055 -4.753 6.481 1.00 0.40 C ATOM 750 O SER A 59 -5.780 -5.065 5.324 1.00 0.55 O ATOM 751 CB SER A 59 -3.877 -4.426 7.725 1.00 0.41 C ATOM 752 OG SER A 59 -3.902 -4.602 9.131 1.00 0.73 O ATOM 0 H SER A 59 -5.429 -3.039 9.158 1.00 0.29 H new ATOM 0 HA SER A 59 -4.846 -3.013 6.441 1.00 0.35 H new ATOM 0 HB2 SER A 59 -3.763 -5.397 7.243 1.00 0.41 H new ATOM 0 HB3 SER A 59 -3.006 -3.830 7.452 1.00 0.41 H new ATOM 0 HG SER A 59 -3.627 -3.770 9.570 1.00 0.73 H new ATOM 758 N GLN A 60 -7.177 -5.177 7.083 1.00 0.40 N ATOM 759 CA GLN A 60 -8.217 -5.958 6.390 1.00 0.52 C ATOM 760 C GLN A 60 -8.851 -5.230 5.188 1.00 0.55 C ATOM 761 O GLN A 60 -9.290 -5.900 4.248 1.00 0.81 O ATOM 762 CB GLN A 60 -9.348 -6.349 7.355 1.00 0.60 C ATOM 763 CG GLN A 60 -8.917 -7.305 8.475 1.00 0.73 C ATOM 764 CD GLN A 60 -10.083 -8.050 9.062 1.00 2.22 C ATOM 765 OE1 GLN A 60 -10.185 -9.272 9.002 1.00 3.90 O ATOM 766 NE2 GLN A 60 -11.035 -7.386 9.636 1.00 2.85 N ATOM 0 H GLN A 60 -7.390 -4.989 8.063 1.00 0.40 H new ATOM 0 HA GLN A 60 -7.697 -6.839 6.015 1.00 0.52 H new ATOM 0 HB2 GLN A 60 -9.757 -5.444 7.803 1.00 0.60 H new ATOM 0 HB3 GLN A 60 -10.152 -6.814 6.785 1.00 0.60 H new ATOM 0 HG2 GLN A 60 -8.192 -8.018 8.083 1.00 0.73 H new ATOM 0 HG3 GLN A 60 -8.416 -6.740 9.261 1.00 0.73 H new ATOM 0 HE21 GLN A 60 -10.980 -6.370 9.702 1.00 2.85 H new ATOM 0 HE22 GLN A 60 -11.840 -7.879 10.022 1.00 2.85 H new ATOM 775 N GLU A 61 -8.912 -3.893 5.182 1.00 0.37 N ATOM 776 CA GLU A 61 -9.311 -3.130 3.992 1.00 0.42 C ATOM 777 C GLU A 61 -8.128 -2.848 3.090 1.00 0.51 C ATOM 778 O GLU A 61 -8.237 -3.021 1.886 1.00 0.66 O ATOM 779 CB GLU A 61 -9.961 -1.805 4.337 1.00 0.58 C ATOM 780 CG GLU A 61 -11.149 -2.042 5.242 1.00 1.80 C ATOM 781 CD GLU A 61 -12.172 -3.063 4.718 1.00 3.28 C ATOM 782 OE1 GLU A 61 -12.642 -2.891 3.571 1.00 3.83 O ATOM 783 OE2 GLU A 61 -12.539 -4.034 5.427 1.00 4.88 O ATOM 0 H GLU A 61 -8.689 -3.314 5.992 1.00 0.37 H new ATOM 0 HA GLU A 61 -10.037 -3.759 3.478 1.00 0.42 H new ATOM 0 HB2 GLU A 61 -9.240 -1.153 4.830 1.00 0.58 H new ATOM 0 HB3 GLU A 61 -10.280 -1.297 3.427 1.00 0.58 H new ATOM 0 HG2 GLU A 61 -10.786 -2.380 6.212 1.00 1.80 H new ATOM 0 HG3 GLU A 61 -11.658 -1.092 5.405 1.00 1.80 H new ATOM 790 N VAL A 62 -6.991 -2.427 3.647 1.00 0.41 N ATOM 791 CA VAL A 62 -5.856 -1.990 2.840 1.00 0.39 C ATOM 792 C VAL A 62 -5.320 -3.157 2.008 1.00 0.40 C ATOM 793 O VAL A 62 -5.057 -2.965 0.828 1.00 0.42 O ATOM 794 CB VAL A 62 -4.762 -1.338 3.706 1.00 0.31 C ATOM 795 CG1 VAL A 62 -3.835 -0.500 2.829 1.00 0.32 C ATOM 796 CG2 VAL A 62 -5.301 -0.408 4.800 1.00 0.35 C ATOM 0 H VAL A 62 -6.834 -2.380 4.654 1.00 0.41 H new ATOM 0 HA VAL A 62 -6.198 -1.219 2.150 1.00 0.39 H new ATOM 0 HB VAL A 62 -4.246 -2.169 4.187 1.00 0.31 H new ATOM 0 HG11 VAL A 62 -3.064 -0.042 3.448 1.00 0.32 H new ATOM 0 HG12 VAL A 62 -3.367 -1.139 2.080 1.00 0.32 H new ATOM 0 HG13 VAL A 62 -4.411 0.280 2.332 1.00 0.32 H new ATOM 0 HG21 VAL A 62 -4.468 0.011 5.365 1.00 0.35 H new ATOM 0 HG22 VAL A 62 -5.871 0.400 4.342 1.00 0.35 H new ATOM 0 HG23 VAL A 62 -5.947 -0.973 5.472 1.00 0.35 H new ATOM 806 N GLN A 63 -5.300 -4.384 2.551 1.00 0.40 N ATOM 807 CA GLN A 63 -5.037 -5.620 1.799 1.00 0.45 C ATOM 808 C GLN A 63 -5.962 -5.747 0.582 1.00 0.52 C ATOM 809 O GLN A 63 -5.482 -6.019 -0.513 1.00 0.57 O ATOM 810 CB GLN A 63 -5.182 -6.829 2.747 1.00 0.47 C ATOM 811 CG GLN A 63 -4.971 -8.182 2.043 1.00 0.62 C ATOM 812 CD GLN A 63 -5.144 -9.402 2.955 1.00 0.77 C ATOM 813 OE1 GLN A 63 -5.271 -9.334 4.174 1.00 1.15 O ATOM 814 NE2 GLN A 63 -5.134 -10.582 2.385 1.00 1.40 N ATOM 0 H GLN A 63 -5.469 -4.548 3.543 1.00 0.40 H new ATOM 0 HA GLN A 63 -4.018 -5.590 1.412 1.00 0.45 H new ATOM 0 HB2 GLN A 63 -4.462 -6.734 3.559 1.00 0.47 H new ATOM 0 HB3 GLN A 63 -6.175 -6.812 3.197 1.00 0.47 H new ATOM 0 HG2 GLN A 63 -5.674 -8.260 1.214 1.00 0.62 H new ATOM 0 HG3 GLN A 63 -3.969 -8.203 1.614 1.00 0.62 H new ATOM 0 HE21 GLN A 63 -5.029 -10.659 1.373 1.00 1.40 H new ATOM 0 HE22 GLN A 63 -5.231 -11.424 2.953 1.00 1.40 H new ATOM 823 N ALA A 64 -7.264 -5.505 0.747 1.00 0.53 N ATOM 824 CA ALA A 64 -8.242 -5.615 -0.327 1.00 0.60 C ATOM 825 C ALA A 64 -8.146 -4.446 -1.329 1.00 0.60 C ATOM 826 O ALA A 64 -8.407 -4.614 -2.522 1.00 0.69 O ATOM 827 CB ALA A 64 -9.637 -5.648 0.318 1.00 0.60 C ATOM 0 H ALA A 64 -7.669 -5.225 1.640 1.00 0.53 H new ATOM 0 HA ALA A 64 -8.047 -6.524 -0.895 1.00 0.60 H new ATOM 0 HB1 ALA A 64 -10.396 -5.730 -0.460 1.00 0.60 H new ATOM 0 HB2 ALA A 64 -9.709 -6.506 0.987 1.00 0.60 H new ATOM 0 HB3 ALA A 64 -9.797 -4.731 0.886 1.00 0.60 H new ATOM 833 N LEU A 65 -7.756 -3.265 -0.844 1.00 0.56 N ATOM 834 CA LEU A 65 -7.575 -2.045 -1.624 1.00 0.59 C ATOM 835 C LEU A 65 -6.345 -2.146 -2.538 1.00 0.52 C ATOM 836 O LEU A 65 -6.419 -1.822 -3.722 1.00 0.64 O ATOM 837 CB LEU A 65 -7.515 -0.847 -0.667 1.00 0.64 C ATOM 838 CG LEU A 65 -8.902 -0.489 -0.087 1.00 0.85 C ATOM 839 CD1 LEU A 65 -8.765 0.370 1.169 1.00 1.06 C ATOM 840 CD2 LEU A 65 -9.757 0.279 -1.095 1.00 0.92 C ATOM 0 H LEU A 65 -7.550 -3.130 0.146 1.00 0.56 H new ATOM 0 HA LEU A 65 -8.424 -1.901 -2.292 1.00 0.59 H new ATOM 0 HB2 LEU A 65 -6.829 -1.071 0.150 1.00 0.64 H new ATOM 0 HB3 LEU A 65 -7.110 0.017 -1.195 1.00 0.64 H new ATOM 0 HG LEU A 65 -9.388 -1.435 0.154 1.00 0.85 H new ATOM 0 HD11 LEU A 65 -9.755 0.608 1.557 1.00 1.06 H new ATOM 0 HD12 LEU A 65 -8.201 -0.177 1.924 1.00 1.06 H new ATOM 0 HD13 LEU A 65 -8.240 1.293 0.923 1.00 1.06 H new ATOM 0 HD21 LEU A 65 -10.724 0.512 -0.649 1.00 0.92 H new ATOM 0 HD22 LEU A 65 -9.252 1.205 -1.370 1.00 0.92 H new ATOM 0 HD23 LEU A 65 -9.906 -0.331 -1.986 1.00 0.92 H new ATOM 852 N LEU A 66 -5.247 -2.677 -1.995 1.00 0.39 N ATOM 853 CA LEU A 66 -4.032 -3.076 -2.712 1.00 0.39 C ATOM 854 C LEU A 66 -4.320 -4.198 -3.728 1.00 0.42 C ATOM 855 O LEU A 66 -3.946 -4.080 -4.892 1.00 0.51 O ATOM 856 CB LEU A 66 -2.982 -3.521 -1.670 1.00 0.36 C ATOM 857 CG LEU A 66 -2.417 -2.374 -0.805 1.00 0.35 C ATOM 858 CD1 LEU A 66 -1.866 -2.902 0.524 1.00 0.32 C ATOM 859 CD2 LEU A 66 -1.284 -1.649 -1.536 1.00 0.39 C ATOM 0 H LEU A 66 -5.177 -2.849 -0.992 1.00 0.39 H new ATOM 0 HA LEU A 66 -3.650 -2.231 -3.285 1.00 0.39 H new ATOM 0 HB2 LEU A 66 -3.432 -4.267 -1.014 1.00 0.36 H new ATOM 0 HB3 LEU A 66 -2.157 -4.009 -2.189 1.00 0.36 H new ATOM 0 HG LEU A 66 -3.240 -1.685 -0.614 1.00 0.35 H new ATOM 0 HD11 LEU A 66 -1.475 -2.071 1.112 1.00 0.32 H new ATOM 0 HD12 LEU A 66 -2.664 -3.395 1.079 1.00 0.32 H new ATOM 0 HD13 LEU A 66 -1.066 -3.616 0.328 1.00 0.32 H new ATOM 0 HD21 LEU A 66 -0.901 -0.845 -0.907 1.00 0.39 H new ATOM 0 HD22 LEU A 66 -0.481 -2.354 -1.752 1.00 0.39 H new ATOM 0 HD23 LEU A 66 -1.662 -1.231 -2.469 1.00 0.39 H new ATOM 871 N GLU A 67 -5.057 -5.240 -3.334 1.00 0.42 N ATOM 872 CA GLU A 67 -5.515 -6.335 -4.213 1.00 0.51 C ATOM 873 C GLU A 67 -6.363 -5.858 -5.409 1.00 0.52 C ATOM 874 O GLU A 67 -6.374 -6.517 -6.453 1.00 0.69 O ATOM 875 CB GLU A 67 -6.303 -7.338 -3.346 1.00 0.65 C ATOM 876 CG GLU A 67 -5.409 -8.340 -2.596 1.00 0.51 C ATOM 877 CD GLU A 67 -4.957 -9.572 -3.392 1.00 1.48 C ATOM 878 OE1 GLU A 67 -5.633 -9.995 -4.364 1.00 2.32 O ATOM 879 OE2 GLU A 67 -4.006 -10.245 -2.923 1.00 2.78 O ATOM 0 H GLU A 67 -5.364 -5.354 -2.368 1.00 0.42 H new ATOM 0 HA GLU A 67 -4.637 -6.803 -4.659 1.00 0.51 H new ATOM 0 HB2 GLU A 67 -6.903 -6.787 -2.622 1.00 0.65 H new ATOM 0 HB3 GLU A 67 -6.997 -7.888 -3.982 1.00 0.65 H new ATOM 0 HG2 GLU A 67 -4.521 -7.813 -2.247 1.00 0.51 H new ATOM 0 HG3 GLU A 67 -5.945 -8.682 -1.711 1.00 0.51 H new ATOM 886 N GLY A 68 -7.012 -4.691 -5.308 1.00 0.42 N ATOM 887 CA GLY A 68 -7.741 -4.045 -6.407 1.00 0.51 C ATOM 888 C GLY A 68 -6.867 -3.597 -7.590 1.00 0.60 C ATOM 889 O GLY A 68 -7.393 -3.384 -8.686 1.00 0.87 O ATOM 0 H GLY A 68 -7.046 -4.157 -4.439 1.00 0.42 H new ATOM 0 HA2 GLY A 68 -8.499 -4.736 -6.776 1.00 0.51 H new ATOM 0 HA3 GLY A 68 -8.267 -3.175 -6.013 1.00 0.51 H new ATOM 893 N THR A 69 -5.541 -3.521 -7.415 1.00 0.48 N ATOM 894 CA THR A 69 -4.547 -3.161 -8.459 1.00 0.53 C ATOM 895 C THR A 69 -4.230 -4.325 -9.417 1.00 0.59 C ATOM 896 O THR A 69 -3.409 -4.196 -10.326 1.00 0.72 O ATOM 897 CB THR A 69 -3.259 -2.580 -7.836 1.00 0.55 C ATOM 898 OG1 THR A 69 -2.570 -3.530 -7.059 1.00 0.74 O ATOM 899 CG2 THR A 69 -3.601 -1.373 -6.970 1.00 0.69 C ATOM 0 H THR A 69 -5.106 -3.714 -6.513 1.00 0.48 H new ATOM 0 HA THR A 69 -5.011 -2.383 -9.065 1.00 0.53 H new ATOM 0 HB THR A 69 -2.607 -2.283 -8.657 1.00 0.55 H new ATOM 0 HG1 THR A 69 -3.064 -3.694 -6.229 1.00 0.74 H new ATOM 0 HG21 THR A 69 -2.688 -0.968 -6.534 1.00 0.69 H new ATOM 0 HG22 THR A 69 -4.080 -0.609 -7.583 1.00 0.69 H new ATOM 0 HG23 THR A 69 -4.280 -1.677 -6.173 1.00 0.69 H new ATOM 907 N GLY A 70 -4.882 -5.482 -9.224 1.00 0.57 N ATOM 908 CA GLY A 70 -4.698 -6.688 -10.043 1.00 0.65 C ATOM 909 C GLY A 70 -3.459 -7.507 -9.668 1.00 0.51 C ATOM 910 O GLY A 70 -2.971 -8.308 -10.470 1.00 0.68 O ATOM 0 H GLY A 70 -5.566 -5.607 -8.478 1.00 0.57 H new ATOM 0 HA2 GLY A 70 -5.582 -7.319 -9.948 1.00 0.65 H new ATOM 0 HA3 GLY A 70 -4.626 -6.397 -11.091 1.00 0.65 H new ATOM 914 N ARG A 71 -2.941 -7.281 -8.458 1.00 0.35 N ATOM 915 CA ARG A 71 -1.671 -7.764 -7.922 1.00 0.42 C ATOM 916 C ARG A 71 -1.919 -8.337 -6.534 1.00 0.40 C ATOM 917 O ARG A 71 -2.754 -7.817 -5.794 1.00 0.62 O ATOM 918 CB ARG A 71 -0.709 -6.569 -7.812 1.00 0.76 C ATOM 919 CG ARG A 71 -0.404 -5.916 -9.167 1.00 1.28 C ATOM 920 CD ARG A 71 0.263 -4.556 -8.961 1.00 1.02 C ATOM 921 NE ARG A 71 0.422 -3.852 -10.242 1.00 1.14 N ATOM 922 CZ ARG A 71 1.298 -4.107 -11.191 1.00 1.19 C ATOM 923 NH1 ARG A 71 2.252 -4.990 -11.070 1.00 2.46 N ATOM 924 NH2 ARG A 71 1.196 -3.441 -12.295 1.00 1.22 N ATOM 0 H ARG A 71 -3.440 -6.710 -7.776 1.00 0.35 H new ATOM 0 HA ARG A 71 -1.244 -8.531 -8.569 1.00 0.42 H new ATOM 0 HB2 ARG A 71 -1.140 -5.823 -7.145 1.00 0.76 H new ATOM 0 HB3 ARG A 71 0.224 -6.902 -7.357 1.00 0.76 H new ATOM 0 HG2 ARG A 71 0.248 -6.564 -9.752 1.00 1.28 H new ATOM 0 HG3 ARG A 71 -1.326 -5.794 -9.736 1.00 1.28 H new ATOM 0 HD2 ARG A 71 -0.337 -3.951 -8.281 1.00 1.02 H new ATOM 0 HD3 ARG A 71 1.238 -4.691 -8.492 1.00 1.02 H new ATOM 0 HE ARG A 71 -0.219 -3.078 -10.415 1.00 1.14 H new ATOM 0 HH11 ARG A 71 2.346 -5.524 -10.206 1.00 2.46 H new ATOM 0 HH12 ARG A 71 2.903 -5.146 -11.839 1.00 2.46 H new ATOM 0 HH21 ARG A 71 0.456 -2.748 -12.406 1.00 1.22 H new ATOM 0 HH22 ARG A 71 1.855 -3.609 -13.055 1.00 1.22 H new ATOM 938 N GLN A 72 -1.164 -9.358 -6.152 1.00 0.29 N ATOM 939 CA GLN A 72 -1.178 -9.848 -4.783 1.00 0.35 C ATOM 940 C GLN A 72 -0.665 -8.788 -3.809 1.00 0.33 C ATOM 941 O GLN A 72 0.287 -8.058 -4.099 1.00 0.33 O ATOM 942 CB GLN A 72 -0.378 -11.149 -4.655 1.00 0.43 C ATOM 943 CG GLN A 72 -0.501 -11.747 -3.246 1.00 1.30 C ATOM 944 CD GLN A 72 0.062 -13.149 -3.086 1.00 2.18 C ATOM 945 OE1 GLN A 72 0.623 -13.764 -3.988 1.00 3.06 O ATOM 946 NE2 GLN A 72 -0.093 -13.686 -1.899 1.00 3.00 N ATOM 0 H GLN A 72 -0.533 -9.863 -6.774 1.00 0.29 H new ATOM 0 HA GLN A 72 -2.213 -10.065 -4.520 1.00 0.35 H new ATOM 0 HB2 GLN A 72 -0.734 -11.871 -5.390 1.00 0.43 H new ATOM 0 HB3 GLN A 72 0.671 -10.956 -4.880 1.00 0.43 H new ATOM 0 HG2 GLN A 72 0.007 -11.087 -2.543 1.00 1.30 H new ATOM 0 HG3 GLN A 72 -1.554 -11.762 -2.966 1.00 1.30 H new ATOM 0 HE21 GLN A 72 -0.561 -13.162 -1.160 1.00 3.00 H new ATOM 0 HE22 GLN A 72 0.255 -14.627 -1.716 1.00 3.00 H new ATOM 955 N ALA A 73 -1.269 -8.802 -2.627 1.00 0.40 N ATOM 956 CA ALA A 73 -0.820 -8.114 -1.417 1.00 0.36 C ATOM 957 C ALA A 73 -0.750 -9.076 -0.222 1.00 0.41 C ATOM 958 O ALA A 73 -1.666 -9.871 0.009 1.00 0.60 O ATOM 959 CB ALA A 73 -1.795 -6.976 -1.124 1.00 0.50 C ATOM 0 H ALA A 73 -2.133 -9.322 -2.476 1.00 0.40 H new ATOM 0 HA ALA A 73 0.184 -7.722 -1.576 1.00 0.36 H new ATOM 0 HB1 ALA A 73 -1.479 -6.449 -0.224 1.00 0.50 H new ATOM 0 HB2 ALA A 73 -1.809 -6.283 -1.965 1.00 0.50 H new ATOM 0 HB3 ALA A 73 -2.795 -7.383 -0.973 1.00 0.50 H new ATOM 965 N VAL A 74 0.317 -8.955 0.565 1.00 0.34 N ATOM 966 CA VAL A 74 0.551 -9.667 1.830 1.00 0.37 C ATOM 967 C VAL A 74 1.145 -8.681 2.820 1.00 0.35 C ATOM 968 O VAL A 74 2.096 -7.977 2.496 1.00 0.40 O ATOM 969 CB VAL A 74 1.528 -10.839 1.625 1.00 0.43 C ATOM 970 CG1 VAL A 74 1.932 -11.512 2.943 1.00 0.51 C ATOM 971 CG2 VAL A 74 0.883 -11.908 0.745 1.00 0.51 C ATOM 0 H VAL A 74 1.085 -8.326 0.330 1.00 0.34 H new ATOM 0 HA VAL A 74 -0.391 -10.072 2.201 1.00 0.37 H new ATOM 0 HB VAL A 74 2.418 -10.416 1.158 1.00 0.43 H new ATOM 0 HG11 VAL A 74 2.621 -12.331 2.737 1.00 0.51 H new ATOM 0 HG12 VAL A 74 2.418 -10.782 3.590 1.00 0.51 H new ATOM 0 HG13 VAL A 74 1.044 -11.902 3.440 1.00 0.51 H new ATOM 0 HG21 VAL A 74 1.581 -12.734 0.605 1.00 0.51 H new ATOM 0 HG22 VAL A 74 -0.023 -12.277 1.225 1.00 0.51 H new ATOM 0 HG23 VAL A 74 0.631 -11.478 -0.224 1.00 0.51 H new ATOM 981 N LEU A 75 0.608 -8.588 4.029 1.00 0.37 N ATOM 982 CA LEU A 75 1.148 -7.694 5.044 1.00 0.35 C ATOM 983 C LEU A 75 2.350 -8.299 5.763 1.00 0.39 C ATOM 984 O LEU A 75 2.373 -9.482 6.107 1.00 0.50 O ATOM 985 CB LEU A 75 0.020 -7.290 5.973 1.00 0.40 C ATOM 986 CG LEU A 75 0.385 -6.190 6.989 1.00 0.41 C ATOM 987 CD1 LEU A 75 1.239 -5.042 6.460 1.00 1.14 C ATOM 988 CD2 LEU A 75 -0.892 -5.466 7.256 1.00 0.84 C ATOM 0 H LEU A 75 -0.205 -9.124 4.332 1.00 0.37 H new ATOM 0 HA LEU A 75 1.544 -6.793 4.575 1.00 0.35 H new ATOM 0 HB2 LEU A 75 -0.822 -6.946 5.372 1.00 0.40 H new ATOM 0 HB3 LEU A 75 -0.317 -8.172 6.518 1.00 0.40 H new ATOM 0 HG LEU A 75 0.906 -6.702 7.798 1.00 0.41 H new ATOM 0 HD11 LEU A 75 1.431 -4.331 7.264 1.00 1.14 H new ATOM 0 HD12 LEU A 75 2.186 -5.434 6.088 1.00 1.14 H new ATOM 0 HD13 LEU A 75 0.711 -4.539 5.649 1.00 1.14 H new ATOM 0 HD21 LEU A 75 -0.713 -4.665 7.973 1.00 0.84 H new ATOM 0 HD22 LEU A 75 -1.271 -5.043 6.326 1.00 0.84 H new ATOM 0 HD23 LEU A 75 -1.626 -6.161 7.664 1.00 0.84 H new ATOM 1000 N LYS A 76 3.351 -7.458 6.003 1.00 0.35 N ATOM 1001 CA LYS A 76 4.596 -7.833 6.682 1.00 0.41 C ATOM 1002 C LYS A 76 4.643 -7.343 8.128 1.00 0.45 C ATOM 1003 O LYS A 76 5.160 -8.067 8.976 1.00 0.55 O ATOM 1004 CB LYS A 76 5.809 -7.408 5.842 1.00 0.44 C ATOM 1005 CG LYS A 76 5.851 -8.013 4.424 1.00 0.46 C ATOM 1006 CD LYS A 76 5.952 -9.547 4.364 1.00 0.53 C ATOM 1007 CE LYS A 76 7.315 -10.061 4.847 1.00 1.19 C ATOM 1008 NZ LYS A 76 7.340 -11.542 4.905 1.00 1.40 N ATOM 0 H LYS A 76 3.323 -6.476 5.727 1.00 0.35 H new ATOM 0 HA LYS A 76 4.632 -8.919 6.763 1.00 0.41 H new ATOM 0 HB2 LYS A 76 5.815 -6.321 5.759 1.00 0.44 H new ATOM 0 HB3 LYS A 76 6.719 -7.692 6.371 1.00 0.44 H new ATOM 0 HG2 LYS A 76 4.953 -7.704 3.889 1.00 0.46 H new ATOM 0 HG3 LYS A 76 6.702 -7.589 3.891 1.00 0.46 H new ATOM 0 HD2 LYS A 76 5.164 -9.985 4.976 1.00 0.53 H new ATOM 0 HD3 LYS A 76 5.783 -9.880 3.340 1.00 0.53 H new ATOM 0 HE2 LYS A 76 8.098 -9.708 4.176 1.00 1.19 H new ATOM 0 HE3 LYS A 76 7.532 -9.652 5.834 1.00 1.19 H new ATOM 0 HZ1 LYS A 76 8.273 -11.861 5.235 1.00 1.40 H new ATOM 0 HZ2 LYS A 76 6.608 -11.876 5.563 1.00 1.40 H new ATOM 0 HZ3 LYS A 76 7.157 -11.930 3.958 1.00 1.40 H new ATOM 1022 N GLY A 77 4.007 -6.213 8.427 1.00 0.38 N ATOM 1023 CA GLY A 77 3.577 -5.802 9.760 1.00 0.37 C ATOM 1024 C GLY A 77 3.264 -4.310 9.825 1.00 0.37 C ATOM 1025 O GLY A 77 3.018 -3.660 8.806 1.00 0.42 O ATOM 0 H GLY A 77 3.766 -5.527 7.712 1.00 0.38 H new ATOM 0 HA2 GLY A 77 2.693 -6.371 10.047 1.00 0.37 H new ATOM 0 HA3 GLY A 77 4.358 -6.040 10.482 1.00 0.37 H new ATOM 1029 N MET A 78 3.276 -3.763 11.035 1.00 0.51 N ATOM 1030 CA MET A 78 3.089 -2.350 11.318 1.00 0.56 C ATOM 1031 C MET A 78 4.444 -1.664 11.528 1.00 0.67 C ATOM 1032 O MET A 78 5.401 -2.274 12.013 1.00 1.01 O ATOM 1033 CB MET A 78 2.144 -2.187 12.513 1.00 0.65 C ATOM 1034 CG MET A 78 0.709 -2.593 12.145 1.00 0.71 C ATOM 1035 SD MET A 78 0.326 -4.357 12.328 1.00 1.12 S ATOM 1036 CE MET A 78 -1.312 -4.348 11.555 1.00 0.98 C ATOM 0 H MET A 78 3.423 -4.317 11.879 1.00 0.51 H new ATOM 0 HA MET A 78 2.622 -1.856 10.466 1.00 0.56 H new ATOM 0 HB2 MET A 78 2.496 -2.798 13.344 1.00 0.65 H new ATOM 0 HB3 MET A 78 2.156 -1.151 12.851 1.00 0.65 H new ATOM 0 HG2 MET A 78 0.018 -2.023 12.766 1.00 0.71 H new ATOM 0 HG3 MET A 78 0.522 -2.304 11.111 1.00 0.71 H new ATOM 0 HE1 MET A 78 -1.726 -5.356 11.568 1.00 0.98 H new ATOM 0 HE2 MET A 78 -1.971 -3.678 12.107 1.00 0.98 H new ATOM 0 HE3 MET A 78 -1.226 -4.004 10.524 1.00 0.98 H new ATOM 1046 N GLY A 79 4.540 -0.407 11.113 1.00 0.65 N ATOM 1047 CA GLY A 79 5.805 0.313 10.957 1.00 0.83 C ATOM 1048 C GLY A 79 6.505 0.731 12.253 1.00 1.37 C ATOM 1049 O GLY A 79 5.873 0.968 13.289 1.00 2.32 O ATOM 0 H GLY A 79 3.725 0.156 10.869 1.00 0.65 H new ATOM 0 HA2 GLY A 79 6.489 -0.314 10.384 1.00 0.83 H new ATOM 0 HA3 GLY A 79 5.620 1.208 10.363 1.00 0.83 H new TER 1053 GLY A 79 HETATM 1054 CU CU1 A 101 6.193 -2.394 -14.415 1.00 1.21 CU