USER MOD reduce.3.24.130724 H: found=0, std=0, add=539, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 534 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 60 HIS : no HD1:sc= 0 X(o=1.2,f=1.1) USER MOD Set 1.2: A 64 SER OG : rot 68:sc= 1.23 USER MOD Set 2.1: A 36 SER OG : rot 180:sc= -0.0652 USER MOD Set 2.2: A 43 LYS NZ :NH3+ -130:sc= 1.17 (180deg=1.02) USER MOD Set 3.1: A 15 CYS SG : rot 180:sc= -0.407 USER MOD Set 3.2: A 17 SER OG : rot 180:sc= 0.00329 USER MOD Set 3.3: A 18 CYS SG : rot -104:sc= 0.0177 USER MOD Single : A 13 MET CE :methyl -168:sc= -1.1 (180deg=-1.36) USER MOD Single : A 14 THR OG1 : rot -25:sc= 0.501 USER MOD Single : A 20 HIS :FLIP no HD1:sc= -0.366 F(o=-1.1,f=-0.37) USER MOD Single : A 21 LYS NZ :NH3+ -153:sc= 0.196 (180deg=-1.59!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 170:sc= 0 USER MOD Single : A 27 THR OG1 : rot -3:sc= 0.927 USER MOD Single : A 28 LYS NZ :NH3+ -171:sc= -0.412 (180deg=-0.527) USER MOD Single : A 29 HIS : no HE2:sc= -0.607 K(o=-0.61,f=-1.3) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 CYS SG : rot -70:sc= -0.118 USER MOD Single : A 41 THR OG1 : rot -170:sc= 0.00273 USER MOD Single : A 42 ASN : amide:sc= 1.31 K(o=1.3,f=-10!) USER MOD Single : A 45 HIS : no HE2:sc= -0.847 K(o=-0.85,f=-1.5) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 0:sc= 0 USER MOD Single : A 61 THR OG1 : rot 67:sc= 1.17 USER MOD Single : A 70 SER OG : rot -74:sc= 0.76 USER MOD ----------------------------------------------------------------- ATOM 39 N GLY A 4 -3.547 -12.014 -2.264 1.00 1.27 N ATOM 40 CA GLY A 4 -2.623 -11.837 -1.170 1.00 1.26 C ATOM 41 C GLY A 4 -3.049 -10.609 -0.380 1.00 1.08 C ATOM 42 O GLY A 4 -2.888 -9.484 -0.856 1.00 1.69 O ATOM 0 HA2 GLY A 4 -2.620 -12.719 -0.529 1.00 1.26 H new ATOM 0 HA3 GLY A 4 -1.608 -11.713 -1.547 1.00 1.26 H new ATOM 46 N VAL A 5 -3.590 -10.833 0.820 1.00 0.94 N ATOM 47 CA VAL A 5 -3.832 -9.779 1.789 1.00 0.92 C ATOM 48 C VAL A 5 -2.499 -9.460 2.460 1.00 1.01 C ATOM 49 O VAL A 5 -1.857 -10.344 3.025 1.00 1.41 O ATOM 50 CB VAL A 5 -4.944 -10.169 2.781 1.00 1.26 C ATOM 51 CG1 VAL A 5 -4.744 -11.515 3.489 1.00 1.84 C ATOM 52 CG2 VAL A 5 -5.111 -9.073 3.840 1.00 2.03 C ATOM 0 H VAL A 5 -3.872 -11.759 1.142 1.00 0.94 H new ATOM 0 HA VAL A 5 -4.204 -8.878 1.302 1.00 0.92 H new ATOM 0 HB VAL A 5 -5.839 -10.278 2.169 1.00 1.26 H new ATOM 0 HG11 VAL A 5 -5.579 -11.698 4.165 1.00 1.84 H new ATOM 0 HG12 VAL A 5 -4.696 -12.313 2.748 1.00 1.84 H new ATOM 0 HG13 VAL A 5 -3.815 -11.492 4.058 1.00 1.84 H new ATOM 0 HG21 VAL A 5 -5.899 -9.358 4.537 1.00 2.03 H new ATOM 0 HG22 VAL A 5 -4.175 -8.946 4.383 1.00 2.03 H new ATOM 0 HG23 VAL A 5 -5.378 -8.135 3.354 1.00 2.03 H new ATOM 62 N LEU A 6 -2.061 -8.207 2.345 1.00 0.92 N ATOM 63 CA LEU A 6 -0.752 -7.764 2.768 1.00 1.04 C ATOM 64 C LEU A 6 -0.925 -6.475 3.566 1.00 0.87 C ATOM 65 O LEU A 6 -1.320 -5.443 3.021 1.00 0.93 O ATOM 66 CB LEU A 6 0.117 -7.570 1.520 1.00 1.18 C ATOM 67 CG LEU A 6 1.617 -7.820 1.737 1.00 1.47 C ATOM 68 CD1 LEU A 6 2.165 -7.158 3.005 1.00 2.30 C ATOM 69 CD2 LEU A 6 1.938 -9.319 1.747 1.00 3.05 C ATOM 0 H LEU A 6 -2.628 -7.460 1.944 1.00 0.92 H new ATOM 0 HA LEU A 6 -0.256 -8.493 3.408 1.00 1.04 H new ATOM 0 HB2 LEU A 6 -0.240 -8.240 0.738 1.00 1.18 H new ATOM 0 HB3 LEU A 6 -0.019 -6.552 1.154 1.00 1.18 H new ATOM 0 HG LEU A 6 2.118 -7.352 0.889 1.00 1.47 H new ATOM 0 HD11 LEU A 6 3.229 -7.374 3.098 1.00 2.30 H new ATOM 0 HD12 LEU A 6 2.018 -6.080 2.945 1.00 2.30 H new ATOM 0 HD13 LEU A 6 1.638 -7.548 3.876 1.00 2.30 H new ATOM 0 HD21 LEU A 6 3.007 -9.461 1.903 1.00 3.05 H new ATOM 0 HD22 LEU A 6 1.387 -9.804 2.553 1.00 3.05 H new ATOM 0 HD23 LEU A 6 1.649 -9.759 0.793 1.00 3.05 H new ATOM 81 N GLU A 7 -0.630 -6.555 4.864 1.00 0.90 N ATOM 82 CA GLU A 7 -0.514 -5.407 5.738 1.00 0.80 C ATOM 83 C GLU A 7 0.924 -4.911 5.665 1.00 0.72 C ATOM 84 O GLU A 7 1.845 -5.602 6.111 1.00 1.05 O ATOM 85 CB GLU A 7 -0.876 -5.810 7.169 1.00 1.09 C ATOM 86 CG GLU A 7 -2.350 -6.223 7.252 1.00 1.73 C ATOM 87 CD GLU A 7 -2.736 -6.685 8.648 1.00 2.58 C ATOM 88 OE1 GLU A 7 -1.847 -7.251 9.327 1.00 3.50 O ATOM 89 OE2 GLU A 7 -3.914 -6.471 9.001 1.00 3.22 O ATOM 0 H GLU A 7 -0.463 -7.442 5.339 1.00 0.90 H new ATOM 0 HA GLU A 7 -1.195 -4.614 5.430 1.00 0.80 H new ATOM 0 HB2 GLU A 7 -0.242 -6.635 7.492 1.00 1.09 H new ATOM 0 HB3 GLU A 7 -0.686 -4.978 7.847 1.00 1.09 H new ATOM 0 HG2 GLU A 7 -2.979 -5.381 6.962 1.00 1.73 H new ATOM 0 HG3 GLU A 7 -2.542 -7.025 6.539 1.00 1.73 H new ATOM 96 N LEU A 8 1.112 -3.717 5.111 1.00 0.65 N ATOM 97 CA LEU A 8 2.358 -2.984 5.206 1.00 0.72 C ATOM 98 C LEU A 8 2.210 -1.906 6.272 1.00 0.67 C ATOM 99 O LEU A 8 1.110 -1.387 6.464 1.00 0.84 O ATOM 100 CB LEU A 8 2.738 -2.364 3.853 1.00 1.13 C ATOM 101 CG LEU A 8 2.934 -3.412 2.746 1.00 1.21 C ATOM 102 CD1 LEU A 8 1.663 -3.597 1.906 1.00 2.50 C ATOM 103 CD2 LEU A 8 4.068 -2.991 1.812 1.00 2.02 C ATOM 0 H LEU A 8 0.391 -3.230 4.578 1.00 0.65 H new ATOM 0 HA LEU A 8 3.160 -3.668 5.485 1.00 0.72 H new ATOM 0 HB2 LEU A 8 1.960 -1.664 3.549 1.00 1.13 H new ATOM 0 HB3 LEU A 8 3.657 -1.789 3.968 1.00 1.13 H new ATOM 0 HG LEU A 8 3.174 -4.354 3.239 1.00 1.21 H new ATOM 0 HD11 LEU A 8 1.843 -4.346 1.135 1.00 2.50 H new ATOM 0 HD12 LEU A 8 0.847 -3.927 2.549 1.00 2.50 H new ATOM 0 HD13 LEU A 8 1.396 -2.650 1.437 1.00 2.50 H new ATOM 0 HD21 LEU A 8 4.196 -3.743 1.033 1.00 2.02 H new ATOM 0 HD22 LEU A 8 3.826 -2.032 1.355 1.00 2.02 H new ATOM 0 HD23 LEU A 8 4.993 -2.898 2.381 1.00 2.02 H new ATOM 115 N VAL A 9 3.313 -1.548 6.930 1.00 0.66 N ATOM 116 CA VAL A 9 3.492 -0.222 7.480 1.00 0.64 C ATOM 117 C VAL A 9 3.958 0.637 6.305 1.00 0.65 C ATOM 118 O VAL A 9 4.756 0.170 5.490 1.00 0.87 O ATOM 119 CB VAL A 9 4.497 -0.254 8.647 1.00 0.69 C ATOM 120 CG1 VAL A 9 5.357 1.010 8.736 1.00 0.73 C ATOM 121 CG2 VAL A 9 3.740 -0.404 9.971 1.00 0.77 C ATOM 0 H VAL A 9 4.101 -2.175 7.092 1.00 0.66 H new ATOM 0 HA VAL A 9 2.578 0.189 7.909 1.00 0.64 H new ATOM 0 HB VAL A 9 5.158 -1.100 8.461 1.00 0.69 H new ATOM 0 HG11 VAL A 9 6.044 0.924 9.578 1.00 0.73 H new ATOM 0 HG12 VAL A 9 5.926 1.128 7.814 1.00 0.73 H new ATOM 0 HG13 VAL A 9 4.714 1.878 8.879 1.00 0.73 H new ATOM 0 HG21 VAL A 9 4.452 -0.427 10.796 1.00 0.77 H new ATOM 0 HG22 VAL A 9 3.062 0.439 10.100 1.00 0.77 H new ATOM 0 HG23 VAL A 9 3.168 -1.332 9.960 1.00 0.77 H new ATOM 131 N VAL A 10 3.456 1.868 6.218 1.00 0.55 N ATOM 132 CA VAL A 10 3.835 2.867 5.244 1.00 0.56 C ATOM 133 C VAL A 10 4.140 4.141 6.030 1.00 0.59 C ATOM 134 O VAL A 10 3.382 4.502 6.931 1.00 0.89 O ATOM 135 CB VAL A 10 2.710 3.027 4.210 1.00 0.62 C ATOM 136 CG1 VAL A 10 1.321 2.998 4.850 1.00 2.27 C ATOM 137 CG2 VAL A 10 2.890 4.301 3.384 1.00 2.04 C ATOM 0 H VAL A 10 2.739 2.203 6.861 1.00 0.55 H new ATOM 0 HA VAL A 10 4.720 2.592 4.670 1.00 0.56 H new ATOM 0 HB VAL A 10 2.780 2.168 3.543 1.00 0.62 H new ATOM 0 HG11 VAL A 10 0.562 3.115 4.077 1.00 2.27 H new ATOM 0 HG12 VAL A 10 1.175 2.046 5.361 1.00 2.27 H new ATOM 0 HG13 VAL A 10 1.235 3.812 5.569 1.00 2.27 H new ATOM 0 HG21 VAL A 10 2.078 4.384 2.662 1.00 2.04 H new ATOM 0 HG22 VAL A 10 2.878 5.168 4.045 1.00 2.04 H new ATOM 0 HG23 VAL A 10 3.842 4.260 2.856 1.00 2.04 H new ATOM 147 N ARG A 11 5.263 4.800 5.734 1.00 0.59 N ATOM 148 CA ARG A 11 5.713 5.989 6.444 1.00 0.66 C ATOM 149 C ARG A 11 6.034 7.090 5.437 1.00 0.63 C ATOM 150 O ARG A 11 6.230 6.820 4.251 1.00 0.99 O ATOM 151 CB ARG A 11 6.908 5.672 7.360 1.00 0.80 C ATOM 152 CG ARG A 11 6.727 4.345 8.111 1.00 1.45 C ATOM 153 CD ARG A 11 7.670 4.243 9.318 1.00 1.96 C ATOM 154 NE ARG A 11 7.278 5.160 10.402 1.00 3.03 N ATOM 155 CZ ARG A 11 6.170 5.030 11.152 1.00 4.67 C ATOM 156 NH1 ARG A 11 5.418 3.931 11.065 1.00 5.74 N ATOM 157 NH2 ARG A 11 5.783 6.004 11.978 1.00 6.00 N ATOM 0 H ARG A 11 5.891 4.514 4.983 1.00 0.59 H new ATOM 0 HA ARG A 11 4.914 6.344 7.095 1.00 0.66 H new ATOM 0 HB2 ARG A 11 7.819 5.629 6.764 1.00 0.80 H new ATOM 0 HB3 ARG A 11 7.036 6.480 8.080 1.00 0.80 H new ATOM 0 HG2 ARG A 11 5.694 4.255 8.447 1.00 1.45 H new ATOM 0 HG3 ARG A 11 6.914 3.514 7.431 1.00 1.45 H new ATOM 0 HD2 ARG A 11 7.671 3.219 9.692 1.00 1.96 H new ATOM 0 HD3 ARG A 11 8.689 4.469 9.003 1.00 1.96 H new ATOM 0 HE ARG A 11 7.892 5.951 10.598 1.00 3.03 H new ATOM 0 HH11 ARG A 11 5.682 3.181 10.426 1.00 5.74 H new ATOM 0 HH12 ARG A 11 4.579 3.841 11.638 1.00 5.74 H new ATOM 0 HH21 ARG A 11 6.330 6.862 12.047 1.00 6.00 H new ATOM 0 HH22 ARG A 11 4.940 5.891 12.541 1.00 6.00 H new ATOM 171 N GLY A 12 6.030 8.340 5.907 1.00 0.70 N ATOM 172 CA GLY A 12 6.189 9.520 5.068 1.00 0.75 C ATOM 173 C GLY A 12 4.841 10.105 4.637 1.00 0.78 C ATOM 174 O GLY A 12 4.779 11.269 4.246 1.00 1.13 O ATOM 0 H GLY A 12 5.914 8.559 6.896 1.00 0.70 H new ATOM 0 HA2 GLY A 12 6.755 10.277 5.611 1.00 0.75 H new ATOM 0 HA3 GLY A 12 6.771 9.260 4.184 1.00 0.75 H new ATOM 178 N MET A 13 3.758 9.322 4.714 1.00 0.81 N ATOM 179 CA MET A 13 2.435 9.740 4.268 1.00 0.94 C ATOM 180 C MET A 13 1.804 10.732 5.254 1.00 0.86 C ATOM 181 O MET A 13 0.865 10.419 5.976 1.00 1.29 O ATOM 182 CB MET A 13 1.573 8.509 3.947 1.00 1.37 C ATOM 183 CG MET A 13 1.283 7.559 5.109 1.00 1.07 C ATOM 184 SD MET A 13 0.064 6.287 4.711 1.00 1.37 S ATOM 185 CE MET A 13 -0.255 5.690 6.379 1.00 1.40 C ATOM 0 H MET A 13 3.782 8.375 5.091 1.00 0.81 H new ATOM 0 HA MET A 13 2.516 10.297 3.335 1.00 0.94 H new ATOM 0 HB2 MET A 13 0.621 8.855 3.543 1.00 1.37 H new ATOM 0 HB3 MET A 13 2.067 7.942 3.158 1.00 1.37 H new ATOM 0 HG2 MET A 13 2.212 7.078 5.415 1.00 1.07 H new ATOM 0 HG3 MET A 13 0.928 8.138 5.961 1.00 1.07 H new ATOM 0 HE1 MET A 13 -0.822 4.760 6.330 1.00 1.40 H new ATOM 0 HE2 MET A 13 0.692 5.512 6.889 1.00 1.40 H new ATOM 0 HE3 MET A 13 -0.828 6.436 6.929 1.00 1.40 H new ATOM 195 N THR A 14 2.355 11.940 5.317 1.00 0.69 N ATOM 196 CA THR A 14 2.137 12.852 6.429 1.00 0.74 C ATOM 197 C THR A 14 0.686 13.308 6.653 1.00 0.76 C ATOM 198 O THR A 14 0.432 13.858 7.726 1.00 1.01 O ATOM 199 CB THR A 14 3.099 14.047 6.327 1.00 0.82 C ATOM 200 OG1 THR A 14 3.063 14.801 7.522 1.00 1.52 O ATOM 201 CG2 THR A 14 2.786 14.961 5.138 1.00 0.95 C ATOM 0 H THR A 14 2.968 12.314 4.593 1.00 0.69 H new ATOM 0 HA THR A 14 2.357 12.269 7.323 1.00 0.74 H new ATOM 0 HB THR A 14 4.096 13.636 6.169 1.00 0.82 H new ATOM 0 HG1 THR A 14 2.204 14.660 7.972 1.00 1.52 H new ATOM 0 HG21 THR A 14 3.497 15.787 5.117 1.00 0.95 H new ATOM 0 HG22 THR A 14 2.863 14.392 4.212 1.00 0.95 H new ATOM 0 HG23 THR A 14 1.775 15.356 5.239 1.00 0.95 H new ATOM 209 N CYS A 15 -0.242 13.174 5.695 1.00 0.63 N ATOM 210 CA CYS A 15 -1.578 13.746 5.848 1.00 0.61 C ATOM 211 C CYS A 15 -2.602 13.105 4.905 1.00 0.50 C ATOM 212 O CYS A 15 -2.278 12.235 4.096 1.00 0.51 O ATOM 213 CB CYS A 15 -1.498 15.264 5.623 1.00 0.66 C ATOM 214 SG CYS A 15 -1.121 15.738 3.918 1.00 0.63 S ATOM 0 H CYS A 15 -0.090 12.679 4.816 1.00 0.63 H new ATOM 0 HA CYS A 15 -1.926 13.538 6.860 1.00 0.61 H new ATOM 0 HB2 CYS A 15 -2.448 15.714 5.913 1.00 0.66 H new ATOM 0 HB3 CYS A 15 -0.735 15.679 6.281 1.00 0.66 H new ATOM 0 HG CYS A 15 -1.077 17.034 3.828 1.00 0.63 H new ATOM 219 N ALA A 16 -3.847 13.584 4.992 1.00 0.48 N ATOM 220 CA ALA A 16 -4.950 13.192 4.123 1.00 0.51 C ATOM 221 C ALA A 16 -4.543 13.239 2.647 1.00 0.49 C ATOM 222 O ALA A 16 -4.848 12.325 1.881 1.00 0.55 O ATOM 223 CB ALA A 16 -6.149 14.108 4.379 1.00 0.62 C ATOM 0 H ALA A 16 -4.118 14.275 5.691 1.00 0.48 H new ATOM 0 HA ALA A 16 -5.224 12.162 4.353 1.00 0.51 H new ATOM 0 HB1 ALA A 16 -6.975 13.816 3.730 1.00 0.62 H new ATOM 0 HB2 ALA A 16 -6.458 14.021 5.421 1.00 0.62 H new ATOM 0 HB3 ALA A 16 -5.870 15.140 4.169 1.00 0.62 H new ATOM 229 N SER A 17 -3.846 14.311 2.254 1.00 0.49 N ATOM 230 CA SER A 17 -3.367 14.511 0.897 1.00 0.55 C ATOM 231 C SER A 17 -2.341 13.450 0.479 1.00 0.61 C ATOM 232 O SER A 17 -2.127 13.240 -0.718 1.00 0.95 O ATOM 233 CB SER A 17 -2.804 15.928 0.760 1.00 0.62 C ATOM 234 OG SER A 17 -3.715 16.848 1.332 1.00 1.48 O ATOM 0 H SER A 17 -3.599 15.072 2.887 1.00 0.49 H new ATOM 0 HA SER A 17 -4.210 14.396 0.215 1.00 0.55 H new ATOM 0 HB2 SER A 17 -1.837 15.998 1.258 1.00 0.62 H new ATOM 0 HB3 SER A 17 -2.639 16.167 -0.291 1.00 0.62 H new ATOM 0 HG SER A 17 -3.358 17.757 1.248 1.00 1.48 H new ATOM 240 N CYS A 18 -1.667 12.801 1.434 1.00 0.44 N ATOM 241 CA CYS A 18 -0.994 11.539 1.186 1.00 0.42 C ATOM 242 C CYS A 18 -2.007 10.402 1.056 1.00 0.41 C ATOM 243 O CYS A 18 -2.119 9.814 -0.018 1.00 0.58 O ATOM 244 CB CYS A 18 0.100 11.291 2.218 1.00 0.53 C ATOM 245 SG CYS A 18 1.307 12.642 2.299 1.00 0.69 S ATOM 0 H CYS A 18 -1.578 13.140 2.392 1.00 0.44 H new ATOM 0 HA CYS A 18 -0.480 11.586 0.226 1.00 0.42 H new ATOM 0 HB2 CYS A 18 -0.356 11.157 3.199 1.00 0.53 H new ATOM 0 HB3 CYS A 18 0.617 10.362 1.977 1.00 0.53 H new ATOM 0 HG CYS A 18 2.402 12.282 1.697 1.00 0.69 H new ATOM 250 N VAL A 19 -2.737 10.109 2.136 1.00 0.42 N ATOM 251 CA VAL A 19 -3.693 9.002 2.228 1.00 0.50 C ATOM 252 C VAL A 19 -4.471 8.802 0.924 1.00 0.49 C ATOM 253 O VAL A 19 -4.345 7.765 0.268 1.00 0.53 O ATOM 254 CB VAL A 19 -4.647 9.235 3.416 1.00 0.62 C ATOM 255 CG1 VAL A 19 -5.866 8.299 3.420 1.00 0.93 C ATOM 256 CG2 VAL A 19 -3.900 9.086 4.745 1.00 0.74 C ATOM 0 H VAL A 19 -2.677 10.653 2.997 1.00 0.42 H new ATOM 0 HA VAL A 19 -3.131 8.083 2.398 1.00 0.50 H new ATOM 0 HB VAL A 19 -5.019 10.253 3.298 1.00 0.62 H new ATOM 0 HG11 VAL A 19 -6.492 8.521 4.284 1.00 0.93 H new ATOM 0 HG12 VAL A 19 -6.442 8.448 2.507 1.00 0.93 H new ATOM 0 HG13 VAL A 19 -5.529 7.264 3.472 1.00 0.93 H new ATOM 0 HG21 VAL A 19 -4.591 9.254 5.571 1.00 0.74 H new ATOM 0 HG22 VAL A 19 -3.484 8.081 4.818 1.00 0.74 H new ATOM 0 HG23 VAL A 19 -3.093 9.817 4.792 1.00 0.74 H new ATOM 266 N HIS A 20 -5.277 9.798 0.543 1.00 0.50 N ATOM 267 CA HIS A 20 -6.187 9.627 -0.580 1.00 0.59 C ATOM 268 C HIS A 20 -5.419 9.432 -1.890 1.00 0.51 C ATOM 269 O HIS A 20 -5.904 8.767 -2.801 1.00 0.58 O ATOM 270 CB HIS A 20 -7.216 10.768 -0.647 1.00 0.76 C ATOM 271 CG HIS A 20 -6.767 12.039 -1.331 1.00 0.74 C ATOM 272 ND1 HIS A 20 -5.544 12.645 -1.233 1.00 0.92 N flip ATOM 273 CD2 HIS A 20 -7.531 12.795 -2.192 1.00 0.79 C flip ATOM 274 CE1 HIS A 20 -5.555 13.779 -2.049 1.00 0.98 C flip ATOM 275 NE2 HIS A 20 -6.777 13.829 -2.603 1.00 0.99 N flip ATOM 0 H HIS A 20 -5.314 10.714 0.990 1.00 0.50 H new ATOM 0 HA HIS A 20 -6.759 8.713 -0.421 1.00 0.59 H new ATOM 0 HB2 HIS A 20 -8.103 10.398 -1.161 1.00 0.76 H new ATOM 0 HB3 HIS A 20 -7.518 11.016 0.371 1.00 0.76 H new ATOM 0 HD2 HIS A 20 -8.551 12.594 -2.484 1.00 0.79 H new ATOM 0 HE1 HIS A 20 -4.744 14.475 -2.203 1.00 0.98 H new ATOM 0 HE2 HIS A 20 -7.091 14.554 -3.249 1.00 0.99 H new ATOM 283 N LYS A 21 -4.219 10.009 -1.988 1.00 0.45 N ATOM 284 CA LYS A 21 -3.376 9.912 -3.162 1.00 0.48 C ATOM 285 C LYS A 21 -2.842 8.489 -3.263 1.00 0.43 C ATOM 286 O LYS A 21 -2.893 7.887 -4.334 1.00 0.48 O ATOM 287 CB LYS A 21 -2.271 10.971 -3.057 1.00 0.55 C ATOM 288 CG LYS A 21 -1.333 11.013 -4.270 1.00 0.66 C ATOM 289 CD LYS A 21 -0.642 12.380 -4.419 1.00 1.30 C ATOM 290 CE LYS A 21 0.501 12.689 -3.438 1.00 1.79 C ATOM 291 NZ LYS A 21 0.095 12.637 -2.020 1.00 3.22 N ATOM 0 H LYS A 21 -3.807 10.563 -1.237 1.00 0.45 H new ATOM 0 HA LYS A 21 -3.928 10.112 -4.080 1.00 0.48 H new ATOM 0 HB2 LYS A 21 -2.731 11.951 -2.932 1.00 0.55 H new ATOM 0 HB3 LYS A 21 -1.681 10.779 -2.161 1.00 0.55 H new ATOM 0 HG2 LYS A 21 -0.577 10.234 -4.171 1.00 0.66 H new ATOM 0 HG3 LYS A 21 -1.900 10.793 -5.174 1.00 0.66 H new ATOM 0 HD2 LYS A 21 -0.249 12.453 -5.433 1.00 1.30 H new ATOM 0 HD3 LYS A 21 -1.399 13.157 -4.314 1.00 1.30 H new ATOM 0 HE2 LYS A 21 1.311 11.978 -3.601 1.00 1.79 H new ATOM 0 HE3 LYS A 21 0.898 13.680 -3.657 1.00 1.79 H new ATOM 0 HZ1 LYS A 21 0.709 13.262 -1.460 1.00 3.22 H new ATOM 0 HZ2 LYS A 21 -0.893 12.950 -1.930 1.00 3.22 H new ATOM 0 HZ3 LYS A 21 0.182 11.662 -1.669 1.00 3.22 H new ATOM 305 N ILE A 22 -2.348 7.944 -2.147 1.00 0.39 N ATOM 306 CA ILE A 22 -1.900 6.560 -2.084 1.00 0.39 C ATOM 307 C ILE A 22 -3.038 5.656 -2.547 1.00 0.39 C ATOM 308 O ILE A 22 -2.877 4.930 -3.525 1.00 0.43 O ATOM 309 CB ILE A 22 -1.387 6.199 -0.676 1.00 0.45 C ATOM 310 CG1 ILE A 22 -0.156 7.049 -0.339 1.00 0.51 C ATOM 311 CG2 ILE A 22 -1.007 4.712 -0.612 1.00 0.54 C ATOM 312 CD1 ILE A 22 0.177 7.057 1.152 1.00 0.82 C ATOM 0 H ILE A 22 -2.250 8.452 -1.268 1.00 0.39 H new ATOM 0 HA ILE A 22 -1.051 6.414 -2.752 1.00 0.39 H new ATOM 0 HB ILE A 22 -2.180 6.397 0.045 1.00 0.45 H new ATOM 0 HG12 ILE A 22 0.702 6.671 -0.895 1.00 0.51 H new ATOM 0 HG13 ILE A 22 -0.326 8.073 -0.673 1.00 0.51 H new ATOM 0 HG21 ILE A 22 -0.646 4.471 0.388 1.00 0.54 H new ATOM 0 HG22 ILE A 22 -1.882 4.103 -0.839 1.00 0.54 H new ATOM 0 HG23 ILE A 22 -0.223 4.505 -1.340 1.00 0.54 H new ATOM 0 HD11 ILE A 22 1.058 7.676 1.325 1.00 0.82 H new ATOM 0 HD12 ILE A 22 -0.667 7.462 1.711 1.00 0.82 H new ATOM 0 HD13 ILE A 22 0.378 6.039 1.485 1.00 0.82 H new ATOM 324 N GLU A 23 -4.191 5.725 -1.878 1.00 0.43 N ATOM 325 CA GLU A 23 -5.315 4.856 -2.193 1.00 0.48 C ATOM 326 C GLU A 23 -5.773 5.035 -3.644 1.00 0.48 C ATOM 327 O GLU A 23 -5.835 4.070 -4.406 1.00 0.57 O ATOM 328 CB GLU A 23 -6.447 5.086 -1.185 1.00 0.57 C ATOM 329 CG GLU A 23 -5.988 4.637 0.209 1.00 1.68 C ATOM 330 CD GLU A 23 -7.114 4.654 1.229 1.00 2.54 C ATOM 331 OE1 GLU A 23 -7.996 5.528 1.100 1.00 3.14 O ATOM 332 OE2 GLU A 23 -7.051 3.794 2.138 1.00 3.51 O ATOM 0 H GLU A 23 -4.366 6.377 -1.114 1.00 0.43 H new ATOM 0 HA GLU A 23 -4.996 3.817 -2.105 1.00 0.48 H new ATOM 0 HB2 GLU A 23 -6.724 6.140 -1.167 1.00 0.57 H new ATOM 0 HB3 GLU A 23 -7.334 4.529 -1.485 1.00 0.57 H new ATOM 0 HG2 GLU A 23 -5.576 3.630 0.145 1.00 1.68 H new ATOM 0 HG3 GLU A 23 -5.184 5.289 0.550 1.00 1.68 H new ATOM 339 N SER A 24 -6.063 6.273 -4.047 1.00 0.45 N ATOM 340 CA SER A 24 -6.495 6.572 -5.405 1.00 0.49 C ATOM 341 C SER A 24 -5.495 6.019 -6.423 1.00 0.51 C ATOM 342 O SER A 24 -5.890 5.379 -7.399 1.00 0.63 O ATOM 343 CB SER A 24 -6.690 8.085 -5.571 1.00 0.52 C ATOM 344 OG SER A 24 -7.187 8.398 -6.858 1.00 0.76 O ATOM 0 H SER A 24 -6.004 7.091 -3.441 1.00 0.45 H new ATOM 0 HA SER A 24 -7.452 6.084 -5.590 1.00 0.49 H new ATOM 0 HB2 SER A 24 -7.382 8.451 -4.812 1.00 0.52 H new ATOM 0 HB3 SER A 24 -5.741 8.597 -5.410 1.00 0.52 H new ATOM 0 HG SER A 24 -7.304 9.368 -6.937 1.00 0.76 H new ATOM 350 N SER A 25 -4.195 6.231 -6.191 1.00 0.47 N ATOM 351 CA SER A 25 -3.175 5.815 -7.135 1.00 0.51 C ATOM 352 C SER A 25 -3.178 4.294 -7.189 1.00 0.57 C ATOM 353 O SER A 25 -3.308 3.710 -8.259 1.00 0.79 O ATOM 354 CB SER A 25 -1.809 6.387 -6.744 1.00 0.52 C ATOM 355 OG SER A 25 -0.873 6.144 -7.776 1.00 1.19 O ATOM 0 H SER A 25 -3.833 6.689 -5.355 1.00 0.47 H new ATOM 0 HA SER A 25 -3.389 6.203 -8.131 1.00 0.51 H new ATOM 0 HB2 SER A 25 -1.892 7.458 -6.561 1.00 0.52 H new ATOM 0 HB3 SER A 25 -1.466 5.931 -5.815 1.00 0.52 H new ATOM 0 HG SER A 25 -0.051 6.647 -7.597 1.00 1.19 H new ATOM 361 N LEU A 26 -3.114 3.652 -6.022 1.00 0.52 N ATOM 362 CA LEU A 26 -3.178 2.210 -5.913 1.00 0.68 C ATOM 363 C LEU A 26 -4.347 1.641 -6.720 1.00 0.65 C ATOM 364 O LEU A 26 -4.150 0.756 -7.549 1.00 0.67 O ATOM 365 CB LEU A 26 -3.276 1.806 -4.441 1.00 0.90 C ATOM 366 CG LEU A 26 -1.930 1.754 -3.701 1.00 1.03 C ATOM 367 CD1 LEU A 26 -2.199 1.581 -2.202 1.00 2.88 C ATOM 368 CD2 LEU A 26 -1.039 0.596 -4.170 1.00 1.56 C ATOM 0 H LEU A 26 -3.016 4.129 -5.126 1.00 0.52 H new ATOM 0 HA LEU A 26 -2.264 1.790 -6.332 1.00 0.68 H new ATOM 0 HB2 LEU A 26 -3.931 2.510 -3.927 1.00 0.90 H new ATOM 0 HB3 LEU A 26 -3.749 0.826 -4.377 1.00 0.90 H new ATOM 0 HG LEU A 26 -1.404 2.685 -3.914 1.00 1.03 H new ATOM 0 HD11 LEU A 26 -1.252 1.543 -1.664 1.00 2.88 H new ATOM 0 HD12 LEU A 26 -2.789 2.423 -1.839 1.00 2.88 H new ATOM 0 HD13 LEU A 26 -2.749 0.654 -2.036 1.00 2.88 H new ATOM 0 HD21 LEU A 26 -0.102 0.609 -3.613 1.00 1.56 H new ATOM 0 HD22 LEU A 26 -1.551 -0.350 -3.997 1.00 1.56 H new ATOM 0 HD23 LEU A 26 -0.830 0.706 -5.234 1.00 1.56 H new ATOM 380 N THR A 27 -5.561 2.160 -6.525 1.00 0.67 N ATOM 381 CA THR A 27 -6.726 1.643 -7.236 1.00 0.74 C ATOM 382 C THR A 27 -6.590 1.703 -8.767 1.00 0.70 C ATOM 383 O THR A 27 -7.350 1.034 -9.464 1.00 1.05 O ATOM 384 CB THR A 27 -8.020 2.295 -6.727 1.00 0.93 C ATOM 385 OG1 THR A 27 -7.994 3.704 -6.850 1.00 2.25 O ATOM 386 CG2 THR A 27 -8.295 1.922 -5.268 1.00 1.40 C ATOM 0 H THR A 27 -5.760 2.930 -5.887 1.00 0.67 H new ATOM 0 HA THR A 27 -6.783 0.579 -7.006 1.00 0.74 H new ATOM 0 HB THR A 27 -8.822 1.909 -7.356 1.00 0.93 H new ATOM 0 HG1 THR A 27 -7.119 3.987 -7.190 1.00 2.25 H new ATOM 0 HG21 THR A 27 -9.218 2.399 -4.938 1.00 1.40 H new ATOM 0 HG22 THR A 27 -8.395 0.840 -5.182 1.00 1.40 H new ATOM 0 HG23 THR A 27 -7.468 2.261 -4.644 1.00 1.40 H new ATOM 394 N LYS A 28 -5.621 2.451 -9.313 1.00 0.72 N ATOM 395 CA LYS A 28 -5.366 2.444 -10.744 1.00 0.71 C ATOM 396 C LYS A 28 -4.832 1.092 -11.236 1.00 0.67 C ATOM 397 O LYS A 28 -5.023 0.755 -12.404 1.00 0.84 O ATOM 398 CB LYS A 28 -4.470 3.626 -11.148 1.00 0.83 C ATOM 399 CG LYS A 28 -2.949 3.414 -11.033 1.00 1.62 C ATOM 400 CD LYS A 28 -2.276 3.178 -12.396 1.00 2.82 C ATOM 401 CE LYS A 28 -1.875 4.487 -13.096 1.00 3.48 C ATOM 402 NZ LYS A 28 -3.013 5.406 -13.296 1.00 4.22 N ATOM 0 H LYS A 28 -5.006 3.065 -8.779 1.00 0.72 H new ATOM 0 HA LYS A 28 -6.321 2.580 -11.251 1.00 0.71 H new ATOM 0 HB2 LYS A 28 -4.699 3.889 -12.181 1.00 0.83 H new ATOM 0 HB3 LYS A 28 -4.741 4.484 -10.533 1.00 0.83 H new ATOM 0 HG2 LYS A 28 -2.500 4.286 -10.557 1.00 1.62 H new ATOM 0 HG3 LYS A 28 -2.754 2.561 -10.384 1.00 1.62 H new ATOM 0 HD2 LYS A 28 -1.389 2.559 -12.256 1.00 2.82 H new ATOM 0 HD3 LYS A 28 -2.956 2.620 -13.040 1.00 2.82 H new ATOM 0 HE2 LYS A 28 -1.109 4.989 -12.505 1.00 3.48 H new ATOM 0 HE3 LYS A 28 -1.429 4.254 -14.063 1.00 3.48 H new ATOM 0 HZ1 LYS A 28 -2.718 6.197 -13.903 1.00 4.22 H new ATOM 0 HZ2 LYS A 28 -3.796 4.895 -13.751 1.00 4.22 H new ATOM 0 HZ3 LYS A 28 -3.328 5.774 -12.376 1.00 4.22 H new ATOM 416 N HIS A 29 -4.134 0.330 -10.385 1.00 0.59 N ATOM 417 CA HIS A 29 -3.615 -0.979 -10.764 1.00 0.69 C ATOM 418 C HIS A 29 -4.678 -2.018 -10.421 1.00 0.92 C ATOM 419 O HIS A 29 -4.811 -2.385 -9.260 1.00 1.73 O ATOM 420 CB HIS A 29 -2.292 -1.315 -10.044 1.00 0.72 C ATOM 421 CG HIS A 29 -1.423 -0.139 -9.692 1.00 0.83 C ATOM 422 ND1 HIS A 29 -0.607 0.585 -10.528 1.00 1.70 N ATOM 423 CD2 HIS A 29 -1.308 0.391 -8.440 1.00 1.02 C ATOM 424 CE1 HIS A 29 -0.042 1.555 -9.785 1.00 1.67 C ATOM 425 NE2 HIS A 29 -0.449 1.484 -8.509 1.00 1.19 N ATOM 0 H HIS A 29 -3.918 0.604 -9.427 1.00 0.59 H new ATOM 0 HA HIS A 29 -3.396 -0.978 -11.832 1.00 0.69 H new ATOM 0 HB2 HIS A 29 -2.526 -1.857 -9.128 1.00 0.72 H new ATOM 0 HB3 HIS A 29 -1.717 -1.991 -10.677 1.00 0.72 H new ATOM 0 HD1 HIS A 29 -0.458 0.419 -11.523 1.00 1.70 H new ATOM 0 HD2 HIS A 29 -1.798 0.026 -7.550 1.00 1.02 H new ATOM 0 HE1 HIS A 29 0.648 2.293 -10.166 1.00 1.67 H new ATOM 433 N ARG A 30 -5.399 -2.559 -11.406 1.00 0.94 N ATOM 434 CA ARG A 30 -6.321 -3.666 -11.145 1.00 1.07 C ATOM 435 C ARG A 30 -5.633 -4.810 -10.392 1.00 0.98 C ATOM 436 O ARG A 30 -6.298 -5.577 -9.701 1.00 1.81 O ATOM 437 CB ARG A 30 -6.971 -4.133 -12.462 1.00 1.49 C ATOM 438 CG ARG A 30 -7.820 -5.413 -12.333 1.00 2.87 C ATOM 439 CD ARG A 30 -6.997 -6.675 -12.651 1.00 4.09 C ATOM 440 NE ARG A 30 -7.718 -7.925 -12.348 1.00 5.75 N ATOM 441 CZ ARG A 30 -7.587 -8.639 -11.215 1.00 7.28 C ATOM 442 NH1 ARG A 30 -7.036 -8.115 -10.124 1.00 7.68 N ATOM 443 NH2 ARG A 30 -7.992 -9.907 -11.148 1.00 8.91 N ATOM 0 H ARG A 30 -5.364 -2.254 -12.379 1.00 0.94 H new ATOM 0 HA ARG A 30 -7.116 -3.311 -10.489 1.00 1.07 H new ATOM 0 HB2 ARG A 30 -7.601 -3.331 -12.847 1.00 1.49 H new ATOM 0 HB3 ARG A 30 -6.187 -4.304 -13.200 1.00 1.49 H new ATOM 0 HG2 ARG A 30 -8.220 -5.484 -11.322 1.00 2.87 H new ATOM 0 HG3 ARG A 30 -8.673 -5.354 -13.009 1.00 2.87 H new ATOM 0 HD2 ARG A 30 -6.723 -6.667 -13.706 1.00 4.09 H new ATOM 0 HD3 ARG A 30 -6.069 -6.650 -12.080 1.00 4.09 H new ATOM 0 HE ARG A 30 -8.367 -8.276 -13.052 1.00 5.75 H new ATOM 0 HH11 ARG A 30 -6.702 -7.151 -10.134 1.00 7.68 H new ATOM 0 HH12 ARG A 30 -6.948 -8.677 -9.277 1.00 7.68 H new ATOM 0 HH21 ARG A 30 -8.410 -10.353 -11.965 1.00 8.91 H new ATOM 0 HH22 ARG A 30 -7.884 -10.432 -10.280 1.00 8.91 H new ATOM 457 N GLY A 31 -4.312 -4.956 -10.530 1.00 0.78 N ATOM 458 CA GLY A 31 -3.541 -5.909 -9.749 1.00 0.89 C ATOM 459 C GLY A 31 -3.840 -5.828 -8.252 1.00 0.74 C ATOM 460 O GLY A 31 -3.950 -6.872 -7.605 1.00 0.90 O ATOM 0 H GLY A 31 -3.753 -4.413 -11.188 1.00 0.78 H new ATOM 0 HA2 GLY A 31 -3.753 -6.918 -10.103 1.00 0.89 H new ATOM 0 HA3 GLY A 31 -2.478 -5.731 -9.913 1.00 0.89 H new ATOM 464 N ILE A 32 -3.994 -4.615 -7.700 1.00 0.88 N ATOM 465 CA ILE A 32 -4.451 -4.472 -6.337 1.00 0.80 C ATOM 466 C ILE A 32 -5.976 -4.574 -6.377 1.00 0.84 C ATOM 467 O ILE A 32 -6.641 -3.863 -7.126 1.00 1.21 O ATOM 468 CB ILE A 32 -3.853 -3.227 -5.649 1.00 0.99 C ATOM 469 CG1 ILE A 32 -4.471 -1.859 -5.957 1.00 1.59 C ATOM 470 CG2 ILE A 32 -2.336 -3.169 -5.870 1.00 1.70 C ATOM 471 CD1 ILE A 32 -5.682 -1.565 -5.073 1.00 2.43 C ATOM 0 H ILE A 32 -3.807 -3.736 -8.182 1.00 0.88 H new ATOM 0 HA ILE A 32 -4.087 -5.268 -5.687 1.00 0.80 H new ATOM 0 HB ILE A 32 -4.115 -3.390 -4.604 1.00 0.99 H new ATOM 0 HG12 ILE A 32 -3.720 -1.082 -5.814 1.00 1.59 H new ATOM 0 HG13 ILE A 32 -4.770 -1.824 -7.005 1.00 1.59 H new ATOM 0 HG21 ILE A 32 -1.930 -2.285 -5.378 1.00 1.70 H new ATOM 0 HG22 ILE A 32 -1.873 -4.062 -5.451 1.00 1.70 H new ATOM 0 HG23 ILE A 32 -2.126 -3.119 -6.938 1.00 1.70 H new ATOM 0 HD11 ILE A 32 -6.088 -0.585 -5.326 1.00 2.43 H new ATOM 0 HD12 ILE A 32 -6.445 -2.327 -5.235 1.00 2.43 H new ATOM 0 HD13 ILE A 32 -5.379 -1.573 -4.026 1.00 2.43 H new ATOM 483 N LEU A 33 -6.522 -5.520 -5.618 1.00 0.70 N ATOM 484 CA LEU A 33 -7.945 -5.772 -5.515 1.00 0.79 C ATOM 485 C LEU A 33 -8.567 -4.754 -4.559 1.00 0.75 C ATOM 486 O LEU A 33 -9.683 -4.293 -4.791 1.00 0.85 O ATOM 487 CB LEU A 33 -8.154 -7.216 -5.035 1.00 0.88 C ATOM 488 CG LEU A 33 -9.630 -7.618 -4.878 1.00 1.95 C ATOM 489 CD1 LEU A 33 -10.393 -7.545 -6.206 1.00 3.27 C ATOM 490 CD2 LEU A 33 -9.695 -9.048 -4.335 1.00 2.84 C ATOM 0 H LEU A 33 -5.963 -6.149 -5.042 1.00 0.70 H new ATOM 0 HA LEU A 33 -8.435 -5.660 -6.482 1.00 0.79 H new ATOM 0 HB2 LEU A 33 -7.677 -7.895 -5.742 1.00 0.88 H new ATOM 0 HB3 LEU A 33 -7.649 -7.346 -4.078 1.00 0.88 H new ATOM 0 HG LEU A 33 -10.101 -6.917 -4.189 1.00 1.95 H new ATOM 0 HD11 LEU A 33 -11.431 -7.838 -6.046 1.00 3.27 H new ATOM 0 HD12 LEU A 33 -10.358 -6.525 -6.590 1.00 3.27 H new ATOM 0 HD13 LEU A 33 -9.933 -8.220 -6.928 1.00 3.27 H new ATOM 0 HD21 LEU A 33 -10.737 -9.346 -4.219 1.00 2.84 H new ATOM 0 HD22 LEU A 33 -9.200 -9.725 -5.031 1.00 2.84 H new ATOM 0 HD23 LEU A 33 -9.195 -9.093 -3.368 1.00 2.84 H new ATOM 502 N TYR A 34 -7.858 -4.407 -3.478 1.00 0.64 N ATOM 503 CA TYR A 34 -8.336 -3.439 -2.501 1.00 0.63 C ATOM 504 C TYR A 34 -7.149 -2.740 -1.849 1.00 0.54 C ATOM 505 O TYR A 34 -6.065 -3.320 -1.779 1.00 0.51 O ATOM 506 CB TYR A 34 -9.181 -4.160 -1.442 1.00 0.73 C ATOM 507 CG TYR A 34 -9.812 -3.251 -0.405 1.00 0.76 C ATOM 508 CD1 TYR A 34 -10.777 -2.304 -0.796 1.00 1.75 C ATOM 509 CD2 TYR A 34 -9.450 -3.362 0.951 1.00 1.77 C ATOM 510 CE1 TYR A 34 -11.377 -1.474 0.165 1.00 1.82 C ATOM 511 CE2 TYR A 34 -10.076 -2.556 1.915 1.00 1.84 C ATOM 512 CZ TYR A 34 -11.029 -1.601 1.520 1.00 1.05 C ATOM 513 OH TYR A 34 -11.671 -0.844 2.454 1.00 1.35 O ATOM 0 H TYR A 34 -6.939 -4.793 -3.262 1.00 0.64 H new ATOM 0 HA TYR A 34 -8.953 -2.689 -2.996 1.00 0.63 H new ATOM 0 HB2 TYR A 34 -9.971 -4.717 -1.945 1.00 0.73 H new ATOM 0 HB3 TYR A 34 -8.553 -4.890 -0.931 1.00 0.73 H new ATOM 0 HD1 TYR A 34 -11.056 -2.216 -1.836 1.00 1.75 H new ATOM 0 HD2 TYR A 34 -8.690 -4.068 1.250 1.00 1.77 H new ATOM 0 HE1 TYR A 34 -12.107 -0.738 -0.138 1.00 1.82 H new ATOM 0 HE2 TYR A 34 -9.826 -2.670 2.959 1.00 1.84 H new ATOM 0 HH TYR A 34 -11.315 -1.051 3.343 1.00 1.35 H new ATOM 523 N CYS A 35 -7.368 -1.518 -1.358 1.00 0.56 N ATOM 524 CA CYS A 35 -6.441 -0.773 -0.513 1.00 0.53 C ATOM 525 C CYS A 35 -7.215 -0.177 0.662 1.00 0.65 C ATOM 526 O CYS A 35 -8.407 0.107 0.547 1.00 1.17 O ATOM 527 CB CYS A 35 -5.690 0.298 -1.310 1.00 0.60 C ATOM 528 SG CYS A 35 -6.810 1.618 -1.815 1.00 2.53 S ATOM 0 H CYS A 35 -8.229 -1.004 -1.547 1.00 0.56 H new ATOM 0 HA CYS A 35 -5.679 -1.450 -0.126 1.00 0.53 H new ATOM 0 HB2 CYS A 35 -4.883 0.711 -0.704 1.00 0.60 H new ATOM 0 HB3 CYS A 35 -5.230 -0.152 -2.190 1.00 0.60 H new ATOM 0 HG CYS A 35 -7.624 1.172 -2.725 1.00 2.53 H new ATOM 534 N SER A 36 -6.546 -0.065 1.810 1.00 0.42 N ATOM 535 CA SER A 36 -7.013 0.626 2.999 1.00 0.53 C ATOM 536 C SER A 36 -5.776 1.046 3.789 1.00 0.50 C ATOM 537 O SER A 36 -5.207 0.224 4.519 1.00 0.70 O ATOM 538 CB SER A 36 -7.930 -0.285 3.826 1.00 0.76 C ATOM 539 OG SER A 36 -8.161 0.247 5.124 1.00 1.51 O ATOM 0 H SER A 36 -5.621 -0.475 1.936 1.00 0.42 H new ATOM 0 HA SER A 36 -7.603 1.504 2.736 1.00 0.53 H new ATOM 0 HB2 SER A 36 -8.881 -0.411 3.309 1.00 0.76 H new ATOM 0 HB3 SER A 36 -7.480 -1.274 3.912 1.00 0.76 H new ATOM 0 HG SER A 36 -8.750 -0.356 5.625 1.00 1.51 H new ATOM 545 N VAL A 37 -5.365 2.308 3.670 1.00 0.49 N ATOM 546 CA VAL A 37 -4.273 2.857 4.464 1.00 0.60 C ATOM 547 C VAL A 37 -4.813 3.497 5.742 1.00 0.76 C ATOM 548 O VAL A 37 -6.020 3.671 5.895 1.00 1.08 O ATOM 549 CB VAL A 37 -3.372 3.790 3.629 1.00 0.82 C ATOM 550 CG1 VAL A 37 -2.970 3.150 2.296 1.00 1.40 C ATOM 551 CG2 VAL A 37 -4.046 5.124 3.340 1.00 1.68 C ATOM 0 H VAL A 37 -5.781 2.976 3.021 1.00 0.49 H new ATOM 0 HA VAL A 37 -3.620 2.043 4.778 1.00 0.60 H new ATOM 0 HB VAL A 37 -2.481 3.960 4.233 1.00 0.82 H new ATOM 0 HG11 VAL A 37 -2.336 3.839 1.738 1.00 1.40 H new ATOM 0 HG12 VAL A 37 -2.423 2.227 2.486 1.00 1.40 H new ATOM 0 HG13 VAL A 37 -3.865 2.928 1.714 1.00 1.40 H new ATOM 0 HG21 VAL A 37 -3.376 5.750 2.750 1.00 1.68 H new ATOM 0 HG22 VAL A 37 -4.967 4.953 2.783 1.00 1.68 H new ATOM 0 HG23 VAL A 37 -4.277 5.626 4.280 1.00 1.68 H new ATOM 561 N ALA A 38 -3.928 3.822 6.688 1.00 0.64 N ATOM 562 CA ALA A 38 -4.280 4.698 7.798 1.00 0.71 C ATOM 563 C ALA A 38 -3.048 5.379 8.360 1.00 0.66 C ATOM 564 O ALA A 38 -2.083 4.705 8.715 1.00 0.69 O ATOM 565 CB ALA A 38 -4.945 3.938 8.944 1.00 0.80 C ATOM 0 H ALA A 38 -2.964 3.490 6.704 1.00 0.64 H new ATOM 0 HA ALA A 38 -4.978 5.430 7.393 1.00 0.71 H new ATOM 0 HB1 ALA A 38 -5.189 4.632 9.748 1.00 0.80 H new ATOM 0 HB2 ALA A 38 -5.858 3.464 8.585 1.00 0.80 H new ATOM 0 HB3 ALA A 38 -4.263 3.175 9.319 1.00 0.80 H new ATOM 571 N LEU A 39 -3.148 6.697 8.539 1.00 0.77 N ATOM 572 CA LEU A 39 -2.303 7.472 9.429 1.00 0.95 C ATOM 573 C LEU A 39 -2.276 6.791 10.793 1.00 1.00 C ATOM 574 O LEU A 39 -1.201 6.529 11.311 1.00 1.16 O ATOM 575 CB LEU A 39 -2.841 8.906 9.579 1.00 1.70 C ATOM 576 CG LEU A 39 -2.953 9.691 8.264 1.00 0.81 C ATOM 577 CD1 LEU A 39 -3.598 11.054 8.533 1.00 2.02 C ATOM 578 CD2 LEU A 39 -1.589 9.905 7.604 1.00 1.88 C ATOM 0 H LEU A 39 -3.841 7.265 8.052 1.00 0.77 H new ATOM 0 HA LEU A 39 -1.297 7.526 9.012 1.00 0.95 H new ATOM 0 HB2 LEU A 39 -3.825 8.863 10.045 1.00 1.70 H new ATOM 0 HB3 LEU A 39 -2.189 9.455 10.259 1.00 1.70 H new ATOM 0 HG LEU A 39 -3.569 9.103 7.583 1.00 0.81 H new ATOM 0 HD11 LEU A 39 -3.677 11.610 7.599 1.00 2.02 H new ATOM 0 HD12 LEU A 39 -4.593 10.909 8.954 1.00 2.02 H new ATOM 0 HD13 LEU A 39 -2.984 11.614 9.238 1.00 2.02 H new ATOM 0 HD21 LEU A 39 -1.717 10.464 6.677 1.00 1.88 H new ATOM 0 HD22 LEU A 39 -0.942 10.465 8.279 1.00 1.88 H new ATOM 0 HD23 LEU A 39 -1.135 8.938 7.385 1.00 1.88 H new ATOM 590 N ALA A 40 -3.449 6.472 11.353 1.00 1.10 N ATOM 591 CA ALA A 40 -3.591 5.996 12.727 1.00 1.31 C ATOM 592 C ALA A 40 -2.607 4.869 13.051 1.00 1.19 C ATOM 593 O ALA A 40 -1.857 4.950 14.018 1.00 1.33 O ATOM 594 CB ALA A 40 -5.036 5.552 12.970 1.00 1.58 C ATOM 0 H ALA A 40 -4.336 6.539 10.854 1.00 1.10 H new ATOM 0 HA ALA A 40 -3.351 6.821 13.398 1.00 1.31 H new ATOM 0 HB1 ALA A 40 -5.140 5.197 13.995 1.00 1.58 H new ATOM 0 HB2 ALA A 40 -5.708 6.395 12.808 1.00 1.58 H new ATOM 0 HB3 ALA A 40 -5.290 4.747 12.280 1.00 1.58 H new ATOM 600 N THR A 41 -2.612 3.820 12.227 1.00 1.10 N ATOM 601 CA THR A 41 -1.740 2.663 12.375 1.00 1.07 C ATOM 602 C THR A 41 -0.450 2.804 11.548 1.00 0.94 C ATOM 603 O THR A 41 0.389 1.909 11.568 1.00 1.21 O ATOM 604 CB THR A 41 -2.527 1.402 11.979 1.00 1.22 C ATOM 605 OG1 THR A 41 -3.777 1.742 11.397 1.00 2.02 O ATOM 606 CG2 THR A 41 -2.781 0.474 13.164 1.00 1.74 C ATOM 0 H THR A 41 -3.236 3.754 11.423 1.00 1.10 H new ATOM 0 HA THR A 41 -1.424 2.586 13.415 1.00 1.07 H new ATOM 0 HB THR A 41 -1.905 0.877 11.254 1.00 1.22 H new ATOM 0 HG1 THR A 41 -4.323 0.934 11.299 1.00 2.02 H new ATOM 0 HG21 THR A 41 -3.340 -0.400 12.829 1.00 1.74 H new ATOM 0 HG22 THR A 41 -1.828 0.155 13.587 1.00 1.74 H new ATOM 0 HG23 THR A 41 -3.356 1.003 13.924 1.00 1.74 H new ATOM 614 N ASN A 42 -0.303 3.893 10.784 1.00 0.74 N ATOM 615 CA ASN A 42 0.711 4.058 9.743 1.00 0.70 C ATOM 616 C ASN A 42 0.713 2.849 8.807 1.00 0.69 C ATOM 617 O ASN A 42 1.781 2.380 8.419 1.00 0.96 O ATOM 618 CB ASN A 42 2.126 4.254 10.313 1.00 0.88 C ATOM 619 CG ASN A 42 2.294 5.227 11.472 1.00 1.23 C ATOM 620 OD1 ASN A 42 3.261 5.115 12.227 1.00 1.98 O ATOM 621 ND2 ASN A 42 1.402 6.194 11.624 1.00 1.69 N ATOM 0 H ASN A 42 -0.908 4.709 10.879 1.00 0.74 H new ATOM 0 HA ASN A 42 0.445 4.962 9.195 1.00 0.70 H new ATOM 0 HB2 ASN A 42 2.495 3.281 10.636 1.00 0.88 H new ATOM 0 HB3 ASN A 42 2.772 4.586 9.500 1.00 0.88 H new ATOM 0 HD21 ASN A 42 1.506 6.870 12.381 1.00 1.69 H new ATOM 0 HD22 ASN A 42 0.611 6.263 10.984 1.00 1.69 H new ATOM 628 N LYS A 43 -0.467 2.321 8.468 1.00 0.69 N ATOM 629 CA LYS A 43 -0.579 1.029 7.804 1.00 0.68 C ATOM 630 C LYS A 43 -1.136 1.177 6.410 1.00 0.54 C ATOM 631 O LYS A 43 -1.650 2.235 6.041 1.00 0.51 O ATOM 632 CB LYS A 43 -1.381 0.011 8.631 1.00 0.81 C ATOM 633 CG LYS A 43 -2.864 0.355 8.847 1.00 1.25 C ATOM 634 CD LYS A 43 -3.792 0.022 7.668 1.00 1.20 C ATOM 635 CE LYS A 43 -5.263 0.204 8.067 1.00 1.55 C ATOM 636 NZ LYS A 43 -6.176 -0.244 6.990 1.00 2.53 N ATOM 0 H LYS A 43 -1.362 2.777 8.646 1.00 0.69 H new ATOM 0 HA LYS A 43 0.431 0.629 7.718 1.00 0.68 H new ATOM 0 HB2 LYS A 43 -1.319 -0.960 8.139 1.00 0.81 H new ATOM 0 HB3 LYS A 43 -0.905 -0.095 9.606 1.00 0.81 H new ATOM 0 HG2 LYS A 43 -3.219 -0.177 9.729 1.00 1.25 H new ATOM 0 HG3 LYS A 43 -2.946 1.420 9.063 1.00 1.25 H new ATOM 0 HD2 LYS A 43 -3.557 0.667 6.821 1.00 1.20 H new ATOM 0 HD3 LYS A 43 -3.622 -1.005 7.344 1.00 1.20 H new ATOM 0 HE2 LYS A 43 -5.467 -0.360 8.977 1.00 1.55 H new ATOM 0 HE3 LYS A 43 -5.453 1.253 8.294 1.00 1.55 H new ATOM 0 HZ1 LYS A 43 -6.880 0.498 6.801 1.00 2.53 H new ATOM 0 HZ2 LYS A 43 -5.628 -0.430 6.126 1.00 2.53 H new ATOM 0 HZ3 LYS A 43 -6.662 -1.115 7.286 1.00 2.53 H new ATOM 650 N ALA A 44 -1.073 0.064 5.684 1.00 0.65 N ATOM 651 CA ALA A 44 -1.606 -0.130 4.358 1.00 0.53 C ATOM 652 C ALA A 44 -1.959 -1.600 4.201 1.00 0.53 C ATOM 653 O ALA A 44 -1.102 -2.427 3.906 1.00 0.66 O ATOM 654 CB ALA A 44 -0.606 0.350 3.317 1.00 0.67 C ATOM 0 H ALA A 44 -0.616 -0.776 6.039 1.00 0.65 H new ATOM 0 HA ALA A 44 -2.511 0.459 4.208 1.00 0.53 H new ATOM 0 HB1 ALA A 44 -1.018 0.199 2.319 1.00 0.67 H new ATOM 0 HB2 ALA A 44 -0.403 1.410 3.469 1.00 0.67 H new ATOM 0 HB3 ALA A 44 0.321 -0.215 3.416 1.00 0.67 H new ATOM 660 N HIS A 45 -3.236 -1.907 4.413 1.00 0.53 N ATOM 661 CA HIS A 45 -3.818 -3.175 4.024 1.00 0.54 C ATOM 662 C HIS A 45 -4.083 -3.037 2.535 1.00 0.48 C ATOM 663 O HIS A 45 -4.998 -2.313 2.144 1.00 0.57 O ATOM 664 CB HIS A 45 -5.080 -3.400 4.864 1.00 0.65 C ATOM 665 CG HIS A 45 -5.806 -4.692 4.593 1.00 0.81 C ATOM 666 ND1 HIS A 45 -6.168 -5.625 5.540 1.00 1.09 N ATOM 667 CD2 HIS A 45 -6.379 -5.063 3.407 1.00 0.90 C ATOM 668 CE1 HIS A 45 -6.957 -6.528 4.933 1.00 1.34 C ATOM 669 NE2 HIS A 45 -7.115 -6.229 3.631 1.00 1.24 N ATOM 0 H HIS A 45 -3.896 -1.273 4.864 1.00 0.53 H new ATOM 0 HA HIS A 45 -3.185 -4.045 4.198 1.00 0.54 H new ATOM 0 HB2 HIS A 45 -4.806 -3.370 5.919 1.00 0.65 H new ATOM 0 HB3 HIS A 45 -5.767 -2.572 4.689 1.00 0.65 H new ATOM 0 HD1 HIS A 45 -5.889 -5.630 6.521 1.00 1.09 H new ATOM 0 HD2 HIS A 45 -6.280 -4.546 2.464 1.00 0.90 H new ATOM 0 HE1 HIS A 45 -7.404 -7.379 5.425 1.00 1.34 H new ATOM 677 N ILE A 46 -3.265 -3.700 1.718 1.00 0.50 N ATOM 678 CA ILE A 46 -3.582 -3.945 0.325 1.00 0.48 C ATOM 679 C ILE A 46 -4.049 -5.394 0.269 1.00 0.50 C ATOM 680 O ILE A 46 -3.544 -6.240 1.003 1.00 0.76 O ATOM 681 CB ILE A 46 -2.374 -3.685 -0.601 1.00 0.58 C ATOM 682 CG1 ILE A 46 -2.089 -2.191 -0.814 1.00 1.38 C ATOM 683 CG2 ILE A 46 -2.639 -4.244 -2.006 1.00 1.40 C ATOM 684 CD1 ILE A 46 -1.664 -1.459 0.453 1.00 1.58 C ATOM 0 H ILE A 46 -2.365 -4.080 2.011 1.00 0.50 H new ATOM 0 HA ILE A 46 -4.353 -3.264 -0.035 1.00 0.48 H new ATOM 0 HB ILE A 46 -1.532 -4.167 -0.104 1.00 0.58 H new ATOM 0 HG12 ILE A 46 -1.306 -2.084 -1.564 1.00 1.38 H new ATOM 0 HG13 ILE A 46 -2.983 -1.714 -1.216 1.00 1.38 H new ATOM 0 HG21 ILE A 46 -1.776 -4.051 -2.643 1.00 1.40 H new ATOM 0 HG22 ILE A 46 -2.811 -5.319 -1.944 1.00 1.40 H new ATOM 0 HG23 ILE A 46 -3.519 -3.760 -2.430 1.00 1.40 H new ATOM 0 HD11 ILE A 46 -1.481 -0.410 0.223 1.00 1.58 H new ATOM 0 HD12 ILE A 46 -2.455 -1.534 1.199 1.00 1.58 H new ATOM 0 HD13 ILE A 46 -0.752 -1.909 0.845 1.00 1.58 H new ATOM 696 N LYS A 47 -5.004 -5.682 -0.608 1.00 0.48 N ATOM 697 CA LYS A 47 -5.228 -7.027 -1.093 1.00 0.57 C ATOM 698 C LYS A 47 -4.898 -6.996 -2.578 1.00 0.56 C ATOM 699 O LYS A 47 -5.382 -6.093 -3.258 1.00 0.61 O ATOM 700 CB LYS A 47 -6.680 -7.427 -0.861 1.00 0.73 C ATOM 701 CG LYS A 47 -7.054 -7.529 0.622 1.00 0.69 C ATOM 702 CD LYS A 47 -7.980 -8.728 0.858 1.00 1.13 C ATOM 703 CE LYS A 47 -9.329 -8.573 0.138 1.00 2.26 C ATOM 704 NZ LYS A 47 -10.006 -9.873 -0.024 1.00 2.87 N ATOM 0 H LYS A 47 -5.640 -4.987 -0.998 1.00 0.48 H new ATOM 0 HA LYS A 47 -4.609 -7.758 -0.573 1.00 0.57 H new ATOM 0 HB2 LYS A 47 -7.331 -6.698 -1.343 1.00 0.73 H new ATOM 0 HB3 LYS A 47 -6.866 -8.387 -1.342 1.00 0.73 H new ATOM 0 HG2 LYS A 47 -6.152 -7.634 1.225 1.00 0.69 H new ATOM 0 HG3 LYS A 47 -7.547 -6.612 0.943 1.00 0.69 H new ATOM 0 HD2 LYS A 47 -7.489 -9.637 0.512 1.00 1.13 H new ATOM 0 HD3 LYS A 47 -8.153 -8.846 1.928 1.00 1.13 H new ATOM 0 HE2 LYS A 47 -9.969 -7.896 0.704 1.00 2.26 H new ATOM 0 HE3 LYS A 47 -9.171 -8.119 -0.840 1.00 2.26 H new ATOM 0 HZ1 LYS A 47 -10.913 -9.733 -0.513 1.00 2.87 H new ATOM 0 HZ2 LYS A 47 -9.405 -10.510 -0.585 1.00 2.87 H new ATOM 0 HZ3 LYS A 47 -10.178 -10.294 0.911 1.00 2.87 H new ATOM 718 N TYR A 48 -4.063 -7.918 -3.071 1.00 0.72 N ATOM 719 CA TYR A 48 -3.638 -7.927 -4.468 1.00 0.75 C ATOM 720 C TYR A 48 -3.629 -9.339 -5.043 1.00 0.75 C ATOM 721 O TYR A 48 -3.290 -10.284 -4.337 1.00 0.96 O ATOM 722 CB TYR A 48 -2.265 -7.256 -4.602 1.00 0.89 C ATOM 723 CG TYR A 48 -1.107 -7.995 -3.953 1.00 0.90 C ATOM 724 CD1 TYR A 48 -0.419 -8.994 -4.670 1.00 2.50 C ATOM 725 CD2 TYR A 48 -0.669 -7.649 -2.661 1.00 1.93 C ATOM 726 CE1 TYR A 48 0.641 -9.694 -4.068 1.00 2.53 C ATOM 727 CE2 TYR A 48 0.447 -8.291 -2.100 1.00 1.99 C ATOM 728 CZ TYR A 48 1.050 -9.364 -2.769 1.00 1.10 C ATOM 729 OH TYR A 48 2.022 -10.087 -2.144 1.00 1.21 O ATOM 0 H TYR A 48 -3.667 -8.674 -2.513 1.00 0.72 H new ATOM 0 HA TYR A 48 -4.360 -7.355 -5.051 1.00 0.75 H new ATOM 0 HB2 TYR A 48 -2.044 -7.130 -5.662 1.00 0.89 H new ATOM 0 HB3 TYR A 48 -2.324 -6.258 -4.168 1.00 0.89 H new ATOM 0 HD1 TYR A 48 -0.707 -9.223 -5.685 1.00 2.50 H new ATOM 0 HD2 TYR A 48 -1.192 -6.889 -2.100 1.00 1.93 H new ATOM 0 HE1 TYR A 48 1.140 -10.486 -4.607 1.00 2.53 H new ATOM 0 HE2 TYR A 48 0.841 -7.957 -1.151 1.00 1.99 H new ATOM 0 HH TYR A 48 2.330 -10.803 -2.738 1.00 1.21 H new ATOM 739 N ASP A 49 -3.978 -9.485 -6.325 1.00 0.78 N ATOM 740 CA ASP A 49 -3.889 -10.778 -6.999 1.00 0.94 C ATOM 741 C ASP A 49 -2.404 -11.039 -7.296 1.00 0.98 C ATOM 742 O ASP A 49 -1.794 -10.238 -8.010 1.00 0.99 O ATOM 743 CB ASP A 49 -4.753 -10.797 -8.273 1.00 1.10 C ATOM 744 CG ASP A 49 -6.247 -10.936 -7.996 1.00 2.58 C ATOM 745 OD1 ASP A 49 -6.623 -11.674 -7.062 1.00 3.50 O ATOM 746 OD2 ASP A 49 -7.028 -10.315 -8.752 1.00 3.83 O ATOM 0 H ASP A 49 -4.323 -8.726 -6.912 1.00 0.78 H new ATOM 0 HA ASP A 49 -4.279 -11.574 -6.365 1.00 0.94 H new ATOM 0 HB2 ASP A 49 -4.580 -9.878 -8.833 1.00 1.10 H new ATOM 0 HB3 ASP A 49 -4.431 -11.623 -8.908 1.00 1.10 H new ATOM 751 N PRO A 50 -1.791 -12.102 -6.738 1.00 1.06 N ATOM 752 CA PRO A 50 -0.342 -12.281 -6.687 1.00 1.07 C ATOM 753 C PRO A 50 0.217 -12.820 -8.008 1.00 1.18 C ATOM 754 O PRO A 50 0.898 -13.842 -8.043 1.00 2.07 O ATOM 755 CB PRO A 50 -0.114 -13.238 -5.510 1.00 1.15 C ATOM 756 CG PRO A 50 -1.340 -14.143 -5.591 1.00 1.25 C ATOM 757 CD PRO A 50 -2.442 -13.156 -5.975 1.00 1.20 C ATOM 0 HA PRO A 50 0.187 -11.339 -6.544 1.00 1.07 H new ATOM 0 HB2 PRO A 50 0.814 -13.799 -5.615 1.00 1.15 H new ATOM 0 HB3 PRO A 50 -0.060 -12.709 -4.559 1.00 1.15 H new ATOM 0 HG2 PRO A 50 -1.218 -14.928 -6.337 1.00 1.25 H new ATOM 0 HG3 PRO A 50 -1.547 -14.635 -4.641 1.00 1.25 H new ATOM 0 HD2 PRO A 50 -3.215 -13.646 -6.568 1.00 1.20 H new ATOM 0 HD3 PRO A 50 -2.929 -12.751 -5.088 1.00 1.20 H new ATOM 765 N GLU A 51 -0.062 -12.090 -9.086 1.00 1.12 N ATOM 766 CA GLU A 51 0.357 -12.366 -10.450 1.00 1.27 C ATOM 767 C GLU A 51 0.604 -11.023 -11.137 1.00 1.23 C ATOM 768 O GLU A 51 1.665 -10.777 -11.703 1.00 1.63 O ATOM 769 CB GLU A 51 -0.742 -13.137 -11.198 1.00 1.77 C ATOM 770 CG GLU A 51 -1.123 -14.473 -10.544 1.00 1.76 C ATOM 771 CD GLU A 51 -2.162 -15.207 -11.382 1.00 2.40 C ATOM 772 OE1 GLU A 51 -3.180 -14.558 -11.709 1.00 3.69 O ATOM 773 OE2 GLU A 51 -1.915 -16.391 -11.692 1.00 2.62 O ATOM 0 H GLU A 51 -0.621 -11.239 -9.022 1.00 1.12 H new ATOM 0 HA GLU A 51 1.261 -12.975 -10.453 1.00 1.27 H new ATOM 0 HB2 GLU A 51 -1.631 -12.510 -11.264 1.00 1.77 H new ATOM 0 HB3 GLU A 51 -0.409 -13.326 -12.219 1.00 1.77 H new ATOM 0 HG2 GLU A 51 -0.235 -15.095 -10.431 1.00 1.76 H new ATOM 0 HG3 GLU A 51 -1.516 -14.294 -9.543 1.00 1.76 H new ATOM 780 N ILE A 52 -0.410 -10.156 -11.084 1.00 1.15 N ATOM 781 CA ILE A 52 -0.444 -8.889 -11.792 1.00 1.22 C ATOM 782 C ILE A 52 0.479 -7.867 -11.120 1.00 1.10 C ATOM 783 O ILE A 52 1.038 -7.015 -11.807 1.00 1.26 O ATOM 784 CB ILE A 52 -1.903 -8.398 -11.872 1.00 1.36 C ATOM 785 CG1 ILE A 52 -2.780 -9.449 -12.584 1.00 1.51 C ATOM 786 CG2 ILE A 52 -2.000 -7.048 -12.603 1.00 2.74 C ATOM 787 CD1 ILE A 52 -4.270 -9.098 -12.592 1.00 2.48 C ATOM 0 H ILE A 52 -1.249 -10.327 -10.530 1.00 1.15 H new ATOM 0 HA ILE A 52 -0.071 -9.020 -12.808 1.00 1.22 H new ATOM 0 HB ILE A 52 -2.266 -8.257 -10.854 1.00 1.36 H new ATOM 0 HG12 ILE A 52 -2.436 -9.561 -13.612 1.00 1.51 H new ATOM 0 HG13 ILE A 52 -2.645 -10.414 -12.096 1.00 1.51 H new ATOM 0 HG21 ILE A 52 -3.042 -6.730 -12.642 1.00 2.74 H new ATOM 0 HG22 ILE A 52 -1.412 -6.302 -12.068 1.00 2.74 H new ATOM 0 HG23 ILE A 52 -1.615 -7.155 -13.617 1.00 2.74 H new ATOM 0 HD11 ILE A 52 -4.825 -9.881 -13.109 1.00 2.48 H new ATOM 0 HD12 ILE A 52 -4.630 -9.015 -11.566 1.00 2.48 H new ATOM 0 HD13 ILE A 52 -4.417 -8.148 -13.107 1.00 2.48 H new ATOM 799 N ILE A 53 0.621 -7.919 -9.790 1.00 0.91 N ATOM 800 CA ILE A 53 1.472 -7.004 -9.051 1.00 0.86 C ATOM 801 C ILE A 53 2.034 -7.768 -7.853 1.00 0.75 C ATOM 802 O ILE A 53 1.315 -8.552 -7.232 1.00 1.13 O ATOM 803 CB ILE A 53 0.670 -5.742 -8.655 1.00 1.08 C ATOM 804 CG1 ILE A 53 1.607 -4.547 -8.440 1.00 1.71 C ATOM 805 CG2 ILE A 53 -0.181 -5.967 -7.403 1.00 0.90 C ATOM 806 CD1 ILE A 53 0.870 -3.209 -8.332 1.00 1.24 C ATOM 0 H ILE A 53 0.143 -8.602 -9.202 1.00 0.91 H new ATOM 0 HA ILE A 53 2.308 -6.647 -9.653 1.00 0.86 H new ATOM 0 HB ILE A 53 -0.006 -5.526 -9.482 1.00 1.08 H new ATOM 0 HG12 ILE A 53 2.187 -4.708 -7.531 1.00 1.71 H new ATOM 0 HG13 ILE A 53 2.316 -4.497 -9.266 1.00 1.71 H new ATOM 0 HG21 ILE A 53 -0.726 -5.053 -7.164 1.00 0.90 H new ATOM 0 HG22 ILE A 53 -0.890 -6.775 -7.585 1.00 0.90 H new ATOM 0 HG23 ILE A 53 0.465 -6.233 -6.567 1.00 0.90 H new ATOM 0 HD11 ILE A 53 1.592 -2.407 -8.181 1.00 1.24 H new ATOM 0 HD12 ILE A 53 0.312 -3.026 -9.250 1.00 1.24 H new ATOM 0 HD13 ILE A 53 0.181 -3.240 -7.488 1.00 1.24 H new ATOM 818 N GLY A 54 3.314 -7.576 -7.552 1.00 0.86 N ATOM 819 CA GLY A 54 3.982 -8.160 -6.403 1.00 0.85 C ATOM 820 C GLY A 54 3.983 -7.205 -5.203 1.00 0.80 C ATOM 821 O GLY A 54 3.700 -6.012 -5.336 1.00 0.85 O ATOM 0 H GLY A 54 3.929 -6.993 -8.119 1.00 0.86 H new ATOM 0 HA2 GLY A 54 3.486 -9.091 -6.127 1.00 0.85 H new ATOM 0 HA3 GLY A 54 5.009 -8.413 -6.668 1.00 0.85 H new ATOM 825 N PRO A 55 4.350 -7.712 -4.016 1.00 0.80 N ATOM 826 CA PRO A 55 4.479 -6.898 -2.818 1.00 0.84 C ATOM 827 C PRO A 55 5.599 -5.875 -3.013 1.00 0.84 C ATOM 828 O PRO A 55 5.438 -4.699 -2.691 1.00 0.93 O ATOM 829 CB PRO A 55 4.762 -7.884 -1.681 1.00 1.00 C ATOM 830 CG PRO A 55 5.414 -9.081 -2.378 1.00 1.01 C ATOM 831 CD PRO A 55 4.791 -9.077 -3.776 1.00 0.87 C ATOM 0 HA PRO A 55 3.583 -6.320 -2.592 1.00 0.84 H new ATOM 0 HB2 PRO A 55 5.424 -7.449 -0.932 1.00 1.00 H new ATOM 0 HB3 PRO A 55 3.845 -8.173 -1.167 1.00 1.00 H new ATOM 0 HG2 PRO A 55 6.498 -8.975 -2.423 1.00 1.01 H new ATOM 0 HG3 PRO A 55 5.206 -10.012 -1.851 1.00 1.01 H new ATOM 0 HD2 PRO A 55 5.516 -9.390 -4.527 1.00 0.87 H new ATOM 0 HD3 PRO A 55 3.954 -9.773 -3.832 1.00 0.87 H new ATOM 839 N ARG A 56 6.728 -6.317 -3.582 1.00 0.85 N ATOM 840 CA ARG A 56 7.816 -5.426 -3.954 1.00 0.96 C ATOM 841 C ARG A 56 7.304 -4.310 -4.854 1.00 0.92 C ATOM 842 O ARG A 56 7.673 -3.161 -4.658 1.00 0.96 O ATOM 843 CB ARG A 56 8.959 -6.202 -4.621 1.00 1.13 C ATOM 844 CG ARG A 56 10.151 -5.262 -4.853 1.00 1.77 C ATOM 845 CD ARG A 56 11.341 -5.985 -5.487 1.00 2.56 C ATOM 846 NE ARG A 56 12.453 -5.041 -5.682 1.00 3.63 N ATOM 847 CZ ARG A 56 13.630 -5.338 -6.256 1.00 5.03 C ATOM 848 NH1 ARG A 56 13.855 -6.578 -6.702 1.00 5.78 N ATOM 849 NH2 ARG A 56 14.570 -4.395 -6.375 1.00 6.13 N ATOM 0 H ARG A 56 6.905 -7.299 -3.793 1.00 0.85 H new ATOM 0 HA ARG A 56 8.215 -4.972 -3.047 1.00 0.96 H new ATOM 0 HB2 ARG A 56 9.260 -7.039 -3.991 1.00 1.13 H new ATOM 0 HB3 ARG A 56 8.623 -6.621 -5.569 1.00 1.13 H new ATOM 0 HG2 ARG A 56 9.843 -4.439 -5.498 1.00 1.77 H new ATOM 0 HG3 ARG A 56 10.458 -4.825 -3.903 1.00 1.77 H new ATOM 0 HD2 ARG A 56 11.659 -6.809 -4.849 1.00 2.56 H new ATOM 0 HD3 ARG A 56 11.048 -6.418 -6.443 1.00 2.56 H new ATOM 0 HE ARG A 56 12.319 -4.084 -5.355 1.00 3.63 H new ATOM 0 HH11 ARG A 56 13.134 -7.293 -6.606 1.00 5.78 H new ATOM 0 HH12 ARG A 56 14.747 -6.809 -7.139 1.00 5.78 H new ATOM 0 HH21 ARG A 56 14.393 -3.452 -6.030 1.00 6.13 H new ATOM 0 HH22 ARG A 56 15.465 -4.619 -6.811 1.00 6.13 H new ATOM 863 N ASP A 57 6.468 -4.638 -5.838 1.00 0.90 N ATOM 864 CA ASP A 57 5.975 -3.656 -6.789 1.00 0.93 C ATOM 865 C ASP A 57 5.128 -2.618 -6.052 1.00 0.80 C ATOM 866 O ASP A 57 5.314 -1.416 -6.231 1.00 0.84 O ATOM 867 CB ASP A 57 5.174 -4.339 -7.901 1.00 1.00 C ATOM 868 CG ASP A 57 5.919 -5.457 -8.612 1.00 1.57 C ATOM 869 OD1 ASP A 57 7.166 -5.392 -8.669 1.00 2.65 O ATOM 870 OD2 ASP A 57 5.210 -6.393 -9.040 1.00 2.03 O ATOM 0 H ASP A 57 6.119 -5.584 -5.994 1.00 0.90 H new ATOM 0 HA ASP A 57 6.819 -3.150 -7.258 1.00 0.93 H new ATOM 0 HB2 ASP A 57 4.256 -4.743 -7.475 1.00 1.00 H new ATOM 0 HB3 ASP A 57 4.881 -3.589 -8.635 1.00 1.00 H new ATOM 875 N ILE A 58 4.210 -3.073 -5.193 1.00 0.69 N ATOM 876 CA ILE A 58 3.432 -2.182 -4.331 1.00 0.62 C ATOM 877 C ILE A 58 4.368 -1.259 -3.544 1.00 0.58 C ATOM 878 O ILE A 58 4.211 -0.037 -3.578 1.00 0.55 O ATOM 879 CB ILE A 58 2.504 -3.006 -3.418 1.00 0.61 C ATOM 880 CG1 ILE A 58 1.357 -3.590 -4.257 1.00 0.61 C ATOM 881 CG2 ILE A 58 1.922 -2.159 -2.274 1.00 0.66 C ATOM 882 CD1 ILE A 58 0.788 -4.860 -3.626 1.00 0.64 C ATOM 0 H ILE A 58 3.988 -4.062 -5.077 1.00 0.69 H new ATOM 0 HA ILE A 58 2.794 -1.543 -4.942 1.00 0.62 H new ATOM 0 HB ILE A 58 3.096 -3.805 -2.971 1.00 0.61 H new ATOM 0 HG12 ILE A 58 0.565 -2.848 -4.359 1.00 0.61 H new ATOM 0 HG13 ILE A 58 1.717 -3.812 -5.262 1.00 0.61 H new ATOM 0 HG21 ILE A 58 1.274 -2.780 -1.655 1.00 0.66 H new ATOM 0 HG22 ILE A 58 2.734 -1.763 -1.665 1.00 0.66 H new ATOM 0 HG23 ILE A 58 1.345 -1.333 -2.690 1.00 0.66 H new ATOM 0 HD11 ILE A 58 -0.021 -5.244 -4.247 1.00 0.64 H new ATOM 0 HD12 ILE A 58 1.574 -5.611 -3.548 1.00 0.64 H new ATOM 0 HD13 ILE A 58 0.405 -4.632 -2.631 1.00 0.64 H new ATOM 894 N ILE A 59 5.357 -1.827 -2.851 1.00 0.60 N ATOM 895 CA ILE A 59 6.332 -1.047 -2.098 1.00 0.62 C ATOM 896 C ILE A 59 6.994 -0.004 -3.010 1.00 0.64 C ATOM 897 O ILE A 59 6.959 1.189 -2.722 1.00 0.57 O ATOM 898 CB ILE A 59 7.332 -2.003 -1.425 1.00 0.72 C ATOM 899 CG1 ILE A 59 6.625 -2.749 -0.283 1.00 0.82 C ATOM 900 CG2 ILE A 59 8.543 -1.241 -0.885 1.00 0.76 C ATOM 901 CD1 ILE A 59 7.336 -4.051 0.091 1.00 1.20 C ATOM 0 H ILE A 59 5.501 -2.835 -2.798 1.00 0.60 H new ATOM 0 HA ILE A 59 5.845 -0.483 -1.303 1.00 0.62 H new ATOM 0 HB ILE A 59 7.690 -2.717 -2.167 1.00 0.72 H new ATOM 0 HG12 ILE A 59 6.573 -2.102 0.593 1.00 0.82 H new ATOM 0 HG13 ILE A 59 5.599 -2.970 -0.577 1.00 0.82 H new ATOM 0 HG21 ILE A 59 9.233 -1.941 -0.415 1.00 0.76 H new ATOM 0 HG22 ILE A 59 9.047 -0.730 -1.706 1.00 0.76 H new ATOM 0 HG23 ILE A 59 8.213 -0.508 -0.149 1.00 0.76 H new ATOM 0 HD11 ILE A 59 6.797 -4.540 0.902 1.00 1.20 H new ATOM 0 HD12 ILE A 59 7.365 -4.712 -0.775 1.00 1.20 H new ATOM 0 HD13 ILE A 59 8.354 -3.830 0.413 1.00 1.20 H new ATOM 913 N HIS A 60 7.542 -0.438 -4.142 1.00 0.78 N ATOM 914 CA HIS A 60 8.159 0.446 -5.119 1.00 0.87 C ATOM 915 C HIS A 60 7.171 1.511 -5.607 1.00 0.73 C ATOM 916 O HIS A 60 7.579 2.631 -5.902 1.00 0.70 O ATOM 917 CB HIS A 60 8.790 -0.376 -6.256 1.00 1.26 C ATOM 918 CG HIS A 60 8.549 0.175 -7.636 1.00 1.34 C ATOM 919 ND1 HIS A 60 9.132 1.291 -8.191 1.00 2.93 N ATOM 920 CD2 HIS A 60 7.566 -0.249 -8.484 1.00 3.06 C ATOM 921 CE1 HIS A 60 8.518 1.519 -9.365 1.00 4.11 C ATOM 922 NE2 HIS A 60 7.558 0.606 -9.591 1.00 4.48 N ATOM 0 H HIS A 60 7.569 -1.423 -4.407 1.00 0.78 H new ATOM 0 HA HIS A 60 8.971 0.997 -4.643 1.00 0.87 H new ATOM 0 HB2 HIS A 60 9.865 -0.440 -6.087 1.00 1.26 H new ATOM 0 HB3 HIS A 60 8.399 -1.393 -6.212 1.00 1.26 H new ATOM 0 HD2 HIS A 60 6.912 -1.094 -8.328 1.00 3.06 H new ATOM 0 HE1 HIS A 60 8.763 2.328 -10.037 1.00 4.11 H new ATOM 0 HE2 HIS A 60 6.947 0.548 -10.406 1.00 4.48 H new ATOM 930 N THR A 61 5.874 1.205 -5.694 1.00 0.73 N ATOM 931 CA THR A 61 4.889 2.210 -6.067 1.00 0.72 C ATOM 932 C THR A 61 4.844 3.276 -4.968 1.00 0.61 C ATOM 933 O THR A 61 4.948 4.469 -5.243 1.00 0.66 O ATOM 934 CB THR A 61 3.520 1.558 -6.318 1.00 0.80 C ATOM 935 OG1 THR A 61 3.649 0.534 -7.283 1.00 1.07 O ATOM 936 CG2 THR A 61 2.506 2.576 -6.840 1.00 0.94 C ATOM 0 H THR A 61 5.489 0.278 -5.512 1.00 0.73 H new ATOM 0 HA THR A 61 5.170 2.693 -7.003 1.00 0.72 H new ATOM 0 HB THR A 61 3.168 1.155 -5.368 1.00 0.80 H new ATOM 0 HG1 THR A 61 4.184 -0.199 -6.913 1.00 1.07 H new ATOM 0 HG21 THR A 61 1.548 2.083 -7.007 1.00 0.94 H new ATOM 0 HG22 THR A 61 2.381 3.373 -6.107 1.00 0.94 H new ATOM 0 HG23 THR A 61 2.865 2.999 -7.778 1.00 0.94 H new ATOM 944 N ILE A 62 4.728 2.836 -3.715 1.00 0.52 N ATOM 945 CA ILE A 62 4.754 3.707 -2.546 1.00 0.48 C ATOM 946 C ILE A 62 6.030 4.575 -2.541 1.00 0.51 C ATOM 947 O ILE A 62 5.949 5.779 -2.276 1.00 0.57 O ATOM 948 CB ILE A 62 4.532 2.844 -1.286 1.00 0.41 C ATOM 949 CG1 ILE A 62 3.076 2.340 -1.257 1.00 0.53 C ATOM 950 CG2 ILE A 62 4.810 3.617 0.005 1.00 0.54 C ATOM 951 CD1 ILE A 62 2.854 1.194 -0.264 1.00 1.33 C ATOM 0 H ILE A 62 4.612 1.850 -3.483 1.00 0.52 H new ATOM 0 HA ILE A 62 3.941 4.433 -2.568 1.00 0.48 H new ATOM 0 HB ILE A 62 5.232 2.010 -1.338 1.00 0.41 H new ATOM 0 HG12 ILE A 62 2.416 3.169 -0.999 1.00 0.53 H new ATOM 0 HG13 ILE A 62 2.794 2.007 -2.256 1.00 0.53 H new ATOM 0 HG21 ILE A 62 4.640 2.966 0.863 1.00 0.54 H new ATOM 0 HG22 ILE A 62 5.845 3.959 0.009 1.00 0.54 H new ATOM 0 HG23 ILE A 62 4.144 4.478 0.064 1.00 0.54 H new ATOM 0 HD11 ILE A 62 1.809 0.885 -0.292 1.00 1.33 H new ATOM 0 HD12 ILE A 62 3.489 0.350 -0.534 1.00 1.33 H new ATOM 0 HD13 ILE A 62 3.106 1.530 0.742 1.00 1.33 H new ATOM 963 N GLU A 63 7.189 4.000 -2.893 1.00 0.53 N ATOM 964 CA GLU A 63 8.407 4.776 -3.120 1.00 0.67 C ATOM 965 C GLU A 63 8.174 5.827 -4.209 1.00 0.64 C ATOM 966 O GLU A 63 8.400 7.016 -3.993 1.00 0.75 O ATOM 967 CB GLU A 63 9.591 3.871 -3.496 1.00 0.87 C ATOM 968 CG GLU A 63 9.983 2.867 -2.405 1.00 0.92 C ATOM 969 CD GLU A 63 11.088 1.940 -2.900 1.00 1.11 C ATOM 970 OE1 GLU A 63 12.112 2.479 -3.371 1.00 2.30 O ATOM 971 OE2 GLU A 63 10.882 0.709 -2.831 1.00 1.58 O ATOM 0 H GLU A 63 7.304 2.995 -3.026 1.00 0.53 H new ATOM 0 HA GLU A 63 8.658 5.281 -2.187 1.00 0.67 H new ATOM 0 HB2 GLU A 63 9.342 3.324 -4.405 1.00 0.87 H new ATOM 0 HB3 GLU A 63 10.454 4.496 -3.726 1.00 0.87 H new ATOM 0 HG2 GLU A 63 10.320 3.401 -1.516 1.00 0.92 H new ATOM 0 HG3 GLU A 63 9.112 2.280 -2.114 1.00 0.92 H new ATOM 978 N SER A 64 7.718 5.376 -5.380 1.00 0.61 N ATOM 979 CA SER A 64 7.524 6.209 -6.560 1.00 0.72 C ATOM 980 C SER A 64 6.574 7.378 -6.300 1.00 0.76 C ATOM 981 O SER A 64 6.708 8.409 -6.951 1.00 1.00 O ATOM 982 CB SER A 64 7.037 5.370 -7.745 1.00 0.77 C ATOM 983 OG SER A 64 7.953 4.330 -8.026 1.00 2.22 O ATOM 0 H SER A 64 7.469 4.399 -5.533 1.00 0.61 H new ATOM 0 HA SER A 64 8.496 6.636 -6.808 1.00 0.72 H new ATOM 0 HB2 SER A 64 6.057 4.949 -7.521 1.00 0.77 H new ATOM 0 HB3 SER A 64 6.918 6.005 -8.623 1.00 0.77 H new ATOM 0 HG SER A 64 7.941 3.678 -7.295 1.00 2.22 H new ATOM 989 N LEU A 65 5.615 7.232 -5.376 1.00 0.63 N ATOM 990 CA LEU A 65 4.882 8.384 -4.871 1.00 0.62 C ATOM 991 C LEU A 65 5.850 9.288 -4.097 1.00 0.70 C ATOM 992 O LEU A 65 6.392 10.230 -4.669 1.00 1.01 O ATOM 993 CB LEU A 65 3.661 7.959 -4.039 1.00 0.68 C ATOM 994 CG LEU A 65 2.418 7.663 -4.897 1.00 0.76 C ATOM 995 CD1 LEU A 65 2.551 6.385 -5.727 1.00 2.24 C ATOM 996 CD2 LEU A 65 1.208 7.503 -3.976 1.00 2.40 C ATOM 0 H LEU A 65 5.337 6.338 -4.972 1.00 0.63 H new ATOM 0 HA LEU A 65 4.476 8.955 -5.706 1.00 0.62 H new ATOM 0 HB2 LEU A 65 3.915 7.071 -3.460 1.00 0.68 H new ATOM 0 HB3 LEU A 65 3.423 8.748 -3.325 1.00 0.68 H new ATOM 0 HG LEU A 65 2.303 8.499 -5.587 1.00 0.76 H new ATOM 0 HD11 LEU A 65 1.642 6.233 -6.309 1.00 2.24 H new ATOM 0 HD12 LEU A 65 3.403 6.476 -6.401 1.00 2.24 H new ATOM 0 HD13 LEU A 65 2.703 5.534 -5.063 1.00 2.24 H new ATOM 0 HD21 LEU A 65 0.321 7.293 -4.574 1.00 2.40 H new ATOM 0 HD22 LEU A 65 1.383 6.679 -3.285 1.00 2.40 H new ATOM 0 HD23 LEU A 65 1.056 8.423 -3.412 1.00 2.40 H new ATOM 1008 N GLY A 66 6.025 9.076 -2.790 1.00 0.64 N ATOM 1009 CA GLY A 66 7.060 9.799 -2.058 1.00 0.81 C ATOM 1010 C GLY A 66 7.441 9.157 -0.728 1.00 0.73 C ATOM 1011 O GLY A 66 7.825 9.884 0.186 1.00 0.89 O ATOM 0 H GLY A 66 5.476 8.424 -2.230 1.00 0.64 H new ATOM 0 HA2 GLY A 66 7.950 9.871 -2.683 1.00 0.81 H new ATOM 0 HA3 GLY A 66 6.717 10.817 -1.873 1.00 0.81 H new ATOM 1015 N PHE A 67 7.246 7.845 -0.562 1.00 0.64 N ATOM 1016 CA PHE A 67 7.039 7.281 0.769 1.00 0.55 C ATOM 1017 C PHE A 67 7.914 6.055 1.030 1.00 0.63 C ATOM 1018 O PHE A 67 8.633 5.590 0.155 1.00 0.88 O ATOM 1019 CB PHE A 67 5.549 6.952 0.903 1.00 0.49 C ATOM 1020 CG PHE A 67 4.609 8.106 0.619 1.00 0.48 C ATOM 1021 CD1 PHE A 67 4.793 9.341 1.267 1.00 2.10 C ATOM 1022 CD2 PHE A 67 3.568 7.958 -0.318 1.00 1.94 C ATOM 1023 CE1 PHE A 67 3.913 10.405 1.021 1.00 2.19 C ATOM 1024 CE2 PHE A 67 2.679 9.019 -0.552 1.00 1.87 C ATOM 1025 CZ PHE A 67 2.826 10.225 0.152 1.00 0.58 C ATOM 0 H PHE A 67 7.228 7.165 -1.322 1.00 0.64 H new ATOM 0 HA PHE A 67 7.338 8.009 1.523 1.00 0.55 H new ATOM 0 HB2 PHE A 67 5.311 6.134 0.224 1.00 0.49 H new ATOM 0 HB3 PHE A 67 5.362 6.591 1.914 1.00 0.49 H new ATOM 0 HD1 PHE A 67 5.614 9.470 1.956 1.00 2.10 H new ATOM 0 HD2 PHE A 67 3.454 7.029 -0.856 1.00 1.94 H new ATOM 0 HE1 PHE A 67 4.072 11.360 1.499 1.00 2.19 H new ATOM 0 HE2 PHE A 67 1.883 8.908 -1.273 1.00 1.87 H new ATOM 0 HZ PHE A 67 2.101 11.015 0.024 1.00 0.58 H new ATOM 1035 N GLU A 68 7.845 5.543 2.257 1.00 0.56 N ATOM 1036 CA GLU A 68 8.540 4.355 2.728 1.00 0.64 C ATOM 1037 C GLU A 68 7.464 3.308 2.997 1.00 0.66 C ATOM 1038 O GLU A 68 6.356 3.686 3.381 1.00 0.82 O ATOM 1039 CB GLU A 68 9.254 4.739 4.032 1.00 0.83 C ATOM 1040 CG GLU A 68 9.999 3.598 4.738 1.00 2.35 C ATOM 1041 CD GLU A 68 10.260 3.960 6.194 1.00 2.60 C ATOM 1042 OE1 GLU A 68 10.979 4.957 6.414 1.00 2.39 O ATOM 1043 OE2 GLU A 68 9.685 3.268 7.060 1.00 3.78 O ATOM 0 H GLU A 68 7.272 5.971 2.985 1.00 0.56 H new ATOM 0 HA GLU A 68 9.269 3.969 2.016 1.00 0.64 H new ATOM 0 HB2 GLU A 68 9.966 5.535 3.815 1.00 0.83 H new ATOM 0 HB3 GLU A 68 8.517 5.150 4.722 1.00 0.83 H new ATOM 0 HG2 GLU A 68 9.411 2.682 4.684 1.00 2.35 H new ATOM 0 HG3 GLU A 68 10.943 3.402 4.230 1.00 2.35 H new ATOM 1050 N ALA A 69 7.766 2.014 2.844 1.00 0.68 N ATOM 1051 CA ALA A 69 6.905 0.961 3.361 1.00 0.68 C ATOM 1052 C ALA A 69 7.681 -0.324 3.620 1.00 0.94 C ATOM 1053 O ALA A 69 8.774 -0.517 3.091 1.00 1.25 O ATOM 1054 CB ALA A 69 5.724 0.703 2.420 1.00 1.17 C ATOM 0 H ALA A 69 8.602 1.677 2.365 1.00 0.68 H new ATOM 0 HA ALA A 69 6.510 1.306 4.317 1.00 0.68 H new ATOM 0 HB1 ALA A 69 5.097 -0.088 2.831 1.00 1.17 H new ATOM 0 HB2 ALA A 69 5.136 1.615 2.316 1.00 1.17 H new ATOM 0 HB3 ALA A 69 6.098 0.399 1.442 1.00 1.17 H new ATOM 1060 N SER A 70 7.089 -1.200 4.434 1.00 1.02 N ATOM 1061 CA SER A 70 7.571 -2.539 4.737 1.00 1.44 C ATOM 1062 C SER A 70 6.345 -3.376 5.068 1.00 1.38 C ATOM 1063 O SER A 70 5.398 -2.836 5.634 1.00 1.34 O ATOM 1064 CB SER A 70 8.502 -2.490 5.957 1.00 1.74 C ATOM 1065 OG SER A 70 8.851 -3.795 6.390 1.00 3.33 O ATOM 0 H SER A 70 6.220 -0.980 4.920 1.00 1.02 H new ATOM 0 HA SER A 70 8.125 -2.959 3.898 1.00 1.44 H new ATOM 0 HB2 SER A 70 9.405 -1.934 5.706 1.00 1.74 H new ATOM 0 HB3 SER A 70 8.013 -1.953 6.770 1.00 1.74 H new ATOM 0 HG SER A 70 8.087 -4.203 6.849 1.00 3.33 H new ATOM 1071 N LEU A 71 6.366 -4.682 4.784 1.00 1.46 N ATOM 1072 CA LEU A 71 5.407 -5.594 5.398 1.00 1.31 C ATOM 1073 C LEU A 71 5.464 -5.425 6.922 1.00 1.25 C ATOM 1074 O LEU A 71 6.550 -5.166 7.450 1.00 1.53 O ATOM 1075 CB LEU A 71 5.630 -7.047 4.948 1.00 1.47 C ATOM 1076 CG LEU A 71 6.822 -7.799 5.573 1.00 1.97 C ATOM 1077 CD1 LEU A 71 6.762 -9.265 5.127 1.00 2.77 C ATOM 1078 CD2 LEU A 71 8.182 -7.220 5.166 1.00 2.52 C ATOM 0 H LEU A 71 7.026 -5.122 4.143 1.00 1.46 H new ATOM 0 HA LEU A 71 4.401 -5.342 5.063 1.00 1.31 H new ATOM 0 HB2 LEU A 71 4.723 -7.611 5.164 1.00 1.47 H new ATOM 0 HB3 LEU A 71 5.757 -7.050 3.865 1.00 1.47 H new ATOM 0 HG LEU A 71 6.738 -7.697 6.655 1.00 1.97 H new ATOM 0 HD11 LEU A 71 7.599 -9.812 5.561 1.00 2.77 H new ATOM 0 HD12 LEU A 71 5.825 -9.709 5.463 1.00 2.77 H new ATOM 0 HD13 LEU A 71 6.819 -9.317 4.040 1.00 2.77 H new ATOM 0 HD21 LEU A 71 8.978 -7.794 5.640 1.00 2.52 H new ATOM 0 HD22 LEU A 71 8.291 -7.274 4.083 1.00 2.52 H new ATOM 0 HD23 LEU A 71 8.245 -6.180 5.486 1.00 2.52 H new