USER MOD reduce.3.24.130724 H: found=0, std=0, add=539, rem=0, adj=23 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 45 HIS : no HE2:sc= 0.473 K(o=1.6,f=-10!) USER MOD Set 1.2: A 47 LYS NZ :NH3+ 165:sc= 1.12 (180deg=-0.0209) USER MOD Set 2.1: A 36 SER OG : rot 180:sc= -0.189 USER MOD Set 2.2: A 43 LYS NZ :NH3+ -135:sc= 1.1 (180deg=0.452) USER MOD Set 3.1: A 29 HIS : no HE2:sc= -0.577 K(o=0.54,f=-0.66!) USER MOD Set 3.2: A 61 THR OG1 : rot 70:sc= 1.11 USER MOD Set 4.1: A 14 THR OG1 : rot 79:sc= 0.115 USER MOD Set 4.2: A 15 CYS SG : rot 180:sc= 0.188 USER MOD Set 4.3: A 17 SER OG : rot 113:sc= 0.489 USER MOD Set 4.4: A 18 CYS SG : rot -80:sc= -0.403 USER MOD Single : A 13 MET CE :methyl 175:sc= -1.23 (180deg=-1.4) USER MOD Single : A 20 HIS :FLIP no HD1:sc= -0.237 F(o=-0.94,f=-0.24) USER MOD Single : A 21 LYS NZ :NH3+ 164:sc= 0.179 (180deg=-0.479) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 8:sc= 1.09 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 CYS SG : rot -171:sc= -0.108 USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.0848 USER MOD Single : A 42 ASN : amide:sc= 0.367 X(o=0.37,f=-0.059) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HE2:sc= 1.08 K(o=1.1,f=-12!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot -97:sc= 0.888 USER MOD ----------------------------------------------------------------- ATOM 39 N GLY A 4 -4.001 -12.433 -1.610 1.00 0.84 N ATOM 40 CA GLY A 4 -2.926 -12.162 -0.677 1.00 1.20 C ATOM 41 C GLY A 4 -3.318 -10.912 0.104 1.00 1.02 C ATOM 42 O GLY A 4 -4.068 -10.086 -0.416 1.00 1.32 O ATOM 0 HA2 GLY A 4 -2.777 -13.006 -0.004 1.00 1.20 H new ATOM 0 HA3 GLY A 4 -1.986 -12.007 -1.206 1.00 1.20 H new ATOM 46 N VAL A 5 -2.856 -10.800 1.355 1.00 0.96 N ATOM 47 CA VAL A 5 -3.238 -9.754 2.301 1.00 0.85 C ATOM 48 C VAL A 5 -1.996 -8.954 2.714 1.00 0.92 C ATOM 49 O VAL A 5 -1.434 -9.143 3.792 1.00 1.69 O ATOM 50 CB VAL A 5 -4.006 -10.366 3.493 1.00 1.00 C ATOM 51 CG1 VAL A 5 -5.384 -10.864 3.041 1.00 1.97 C ATOM 52 CG2 VAL A 5 -3.294 -11.547 4.172 1.00 2.60 C ATOM 0 H VAL A 5 -2.183 -11.459 1.746 1.00 0.96 H new ATOM 0 HA VAL A 5 -3.923 -9.049 1.831 1.00 0.85 H new ATOM 0 HB VAL A 5 -4.078 -9.556 4.219 1.00 1.00 H new ATOM 0 HG11 VAL A 5 -5.913 -11.293 3.892 1.00 1.97 H new ATOM 0 HG12 VAL A 5 -5.959 -10.029 2.639 1.00 1.97 H new ATOM 0 HG13 VAL A 5 -5.261 -11.624 2.270 1.00 1.97 H new ATOM 0 HG21 VAL A 5 -3.904 -11.914 4.997 1.00 2.60 H new ATOM 0 HG22 VAL A 5 -3.145 -12.347 3.447 1.00 2.60 H new ATOM 0 HG23 VAL A 5 -2.327 -11.218 4.554 1.00 2.60 H new ATOM 62 N LEU A 6 -1.550 -8.041 1.851 1.00 0.77 N ATOM 63 CA LEU A 6 -0.337 -7.278 2.081 1.00 0.92 C ATOM 64 C LEU A 6 -0.633 -6.144 3.065 1.00 0.77 C ATOM 65 O LEU A 6 -0.877 -5.002 2.679 1.00 0.95 O ATOM 66 CB LEU A 6 0.243 -6.776 0.749 1.00 1.14 C ATOM 67 CG LEU A 6 1.776 -6.833 0.726 1.00 1.29 C ATOM 68 CD1 LEU A 6 2.265 -6.280 -0.614 1.00 3.06 C ATOM 69 CD2 LEU A 6 2.406 -6.033 1.869 1.00 2.40 C ATOM 0 H LEU A 6 -2.023 -7.815 0.976 1.00 0.77 H new ATOM 0 HA LEU A 6 0.427 -7.913 2.529 1.00 0.92 H new ATOM 0 HB2 LEU A 6 -0.154 -7.379 -0.068 1.00 1.14 H new ATOM 0 HB3 LEU A 6 -0.083 -5.750 0.576 1.00 1.14 H new ATOM 0 HG LEU A 6 2.078 -7.872 0.855 1.00 1.29 H new ATOM 0 HD11 LEU A 6 3.354 -6.314 -0.646 1.00 3.06 H new ATOM 0 HD12 LEU A 6 1.859 -6.883 -1.426 1.00 3.06 H new ATOM 0 HD13 LEU A 6 1.931 -5.249 -0.726 1.00 3.06 H new ATOM 0 HD21 LEU A 6 3.492 -6.105 1.808 1.00 2.40 H new ATOM 0 HD22 LEU A 6 2.107 -4.988 1.790 1.00 2.40 H new ATOM 0 HD23 LEU A 6 2.069 -6.436 2.824 1.00 2.40 H new ATOM 81 N GLU A 7 -0.619 -6.481 4.353 1.00 0.83 N ATOM 82 CA GLU A 7 -0.564 -5.511 5.432 1.00 0.80 C ATOM 83 C GLU A 7 0.899 -5.143 5.685 1.00 0.84 C ATOM 84 O GLU A 7 1.696 -6.015 6.045 1.00 1.24 O ATOM 85 CB GLU A 7 -1.294 -6.072 6.654 1.00 1.07 C ATOM 86 CG GLU A 7 -1.305 -5.062 7.808 1.00 1.56 C ATOM 87 CD GLU A 7 -0.080 -5.234 8.691 1.00 3.09 C ATOM 88 OE1 GLU A 7 0.014 -6.311 9.320 1.00 3.85 O ATOM 89 OE2 GLU A 7 0.807 -4.361 8.628 1.00 4.40 O ATOM 0 H GLU A 7 -0.646 -7.448 4.675 1.00 0.83 H new ATOM 0 HA GLU A 7 -1.079 -4.585 5.174 1.00 0.80 H new ATOM 0 HB2 GLU A 7 -2.318 -6.329 6.383 1.00 1.07 H new ATOM 0 HB3 GLU A 7 -0.810 -6.993 6.978 1.00 1.07 H new ATOM 0 HG2 GLU A 7 -1.331 -4.048 7.409 1.00 1.56 H new ATOM 0 HG3 GLU A 7 -2.209 -5.194 8.403 1.00 1.56 H new ATOM 96 N LEU A 8 1.239 -3.867 5.475 1.00 0.71 N ATOM 97 CA LEU A 8 2.525 -3.295 5.842 1.00 0.83 C ATOM 98 C LEU A 8 2.320 -1.942 6.523 1.00 0.71 C ATOM 99 O LEU A 8 1.216 -1.392 6.496 1.00 0.81 O ATOM 100 CB LEU A 8 3.458 -3.226 4.617 1.00 1.09 C ATOM 101 CG LEU A 8 2.919 -2.558 3.338 1.00 0.84 C ATOM 102 CD1 LEU A 8 2.757 -1.041 3.459 1.00 1.98 C ATOM 103 CD2 LEU A 8 3.924 -2.802 2.204 1.00 1.84 C ATOM 0 H LEU A 8 0.610 -3.195 5.036 1.00 0.71 H new ATOM 0 HA LEU A 8 3.022 -3.941 6.566 1.00 0.83 H new ATOM 0 HB2 LEU A 8 4.363 -2.696 4.915 1.00 1.09 H new ATOM 0 HB3 LEU A 8 3.753 -4.244 4.364 1.00 1.09 H new ATOM 0 HG LEU A 8 1.937 -2.993 3.152 1.00 0.84 H new ATOM 0 HD11 LEU A 8 2.374 -0.640 2.521 1.00 1.98 H new ATOM 0 HD12 LEU A 8 2.058 -0.813 4.264 1.00 1.98 H new ATOM 0 HD13 LEU A 8 3.724 -0.588 3.679 1.00 1.98 H new ATOM 0 HD21 LEU A 8 3.560 -2.336 1.288 1.00 1.84 H new ATOM 0 HD22 LEU A 8 4.888 -2.370 2.473 1.00 1.84 H new ATOM 0 HD23 LEU A 8 4.039 -3.874 2.044 1.00 1.84 H new ATOM 115 N VAL A 9 3.393 -1.394 7.104 1.00 0.59 N ATOM 116 CA VAL A 9 3.432 -0.042 7.629 1.00 0.57 C ATOM 117 C VAL A 9 3.897 0.897 6.512 1.00 0.56 C ATOM 118 O VAL A 9 4.778 0.545 5.726 1.00 0.69 O ATOM 119 CB VAL A 9 4.310 0.012 8.898 1.00 0.63 C ATOM 120 CG1 VAL A 9 5.132 1.298 9.032 1.00 0.70 C ATOM 121 CG2 VAL A 9 3.442 -0.137 10.156 1.00 0.71 C ATOM 0 H VAL A 9 4.273 -1.896 7.220 1.00 0.59 H new ATOM 0 HA VAL A 9 2.443 0.290 7.944 1.00 0.57 H new ATOM 0 HB VAL A 9 5.010 -0.817 8.799 1.00 0.63 H new ATOM 0 HG11 VAL A 9 5.721 1.259 9.948 1.00 0.70 H new ATOM 0 HG12 VAL A 9 5.799 1.395 8.175 1.00 0.70 H new ATOM 0 HG13 VAL A 9 4.461 2.156 9.068 1.00 0.70 H new ATOM 0 HG21 VAL A 9 4.076 -0.097 11.042 1.00 0.71 H new ATOM 0 HG22 VAL A 9 2.714 0.673 10.194 1.00 0.71 H new ATOM 0 HG23 VAL A 9 2.920 -1.093 10.126 1.00 0.71 H new ATOM 131 N VAL A 10 3.313 2.096 6.463 1.00 0.56 N ATOM 132 CA VAL A 10 3.681 3.184 5.570 1.00 0.60 C ATOM 133 C VAL A 10 4.062 4.395 6.419 1.00 0.66 C ATOM 134 O VAL A 10 3.345 4.780 7.347 1.00 1.00 O ATOM 135 CB VAL A 10 2.553 3.528 4.581 1.00 0.67 C ATOM 136 CG1 VAL A 10 2.741 2.756 3.275 1.00 1.95 C ATOM 137 CG2 VAL A 10 1.165 3.220 5.143 1.00 2.47 C ATOM 0 H VAL A 10 2.535 2.341 7.075 1.00 0.56 H new ATOM 0 HA VAL A 10 4.531 2.874 4.962 1.00 0.60 H new ATOM 0 HB VAL A 10 2.613 4.601 4.401 1.00 0.67 H new ATOM 0 HG11 VAL A 10 1.937 3.008 2.584 1.00 1.95 H new ATOM 0 HG12 VAL A 10 3.699 3.023 2.829 1.00 1.95 H new ATOM 0 HG13 VAL A 10 2.721 1.685 3.479 1.00 1.95 H new ATOM 0 HG21 VAL A 10 0.407 3.482 4.404 1.00 2.47 H new ATOM 0 HG22 VAL A 10 1.094 2.157 5.375 1.00 2.47 H new ATOM 0 HG23 VAL A 10 1.003 3.801 6.051 1.00 2.47 H new ATOM 147 N ARG A 11 5.220 4.969 6.095 1.00 0.59 N ATOM 148 CA ARG A 11 5.867 6.051 6.807 1.00 0.68 C ATOM 149 C ARG A 11 6.050 7.210 5.826 1.00 0.63 C ATOM 150 O ARG A 11 6.259 6.994 4.629 1.00 0.92 O ATOM 151 CB ARG A 11 7.203 5.534 7.347 1.00 0.84 C ATOM 152 CG ARG A 11 6.982 4.500 8.468 1.00 1.42 C ATOM 153 CD ARG A 11 8.189 3.571 8.630 1.00 2.20 C ATOM 154 NE ARG A 11 9.440 4.341 8.725 1.00 2.96 N ATOM 155 CZ ARG A 11 10.507 4.171 7.928 1.00 4.28 C ATOM 156 NH1 ARG A 11 10.697 3.017 7.283 1.00 5.00 N ATOM 157 NH2 ARG A 11 11.367 5.180 7.769 1.00 5.62 N ATOM 0 H ARG A 11 5.756 4.668 5.281 1.00 0.59 H new ATOM 0 HA ARG A 11 5.276 6.405 7.652 1.00 0.68 H new ATOM 0 HB2 ARG A 11 7.776 5.081 6.538 1.00 0.84 H new ATOM 0 HB3 ARG A 11 7.793 6.368 7.728 1.00 0.84 H new ATOM 0 HG2 ARG A 11 6.793 5.018 9.408 1.00 1.42 H new ATOM 0 HG3 ARG A 11 6.094 3.908 8.246 1.00 1.42 H new ATOM 0 HD2 ARG A 11 8.065 2.961 9.525 1.00 2.20 H new ATOM 0 HD3 ARG A 11 8.242 2.887 7.783 1.00 2.20 H new ATOM 0 HE ARG A 11 9.501 5.056 9.450 1.00 2.96 H new ATOM 0 HH11 ARG A 11 10.028 2.255 7.394 1.00 5.00 H new ATOM 0 HH12 ARG A 11 11.511 2.898 6.680 1.00 5.00 H new ATOM 0 HH21 ARG A 11 11.209 6.065 8.250 1.00 5.62 H new ATOM 0 HH22 ARG A 11 12.182 5.065 7.167 1.00 5.62 H new ATOM 171 N GLY A 12 5.919 8.435 6.337 1.00 0.76 N ATOM 172 CA GLY A 12 5.722 9.637 5.548 1.00 0.82 C ATOM 173 C GLY A 12 4.297 10.099 5.822 1.00 1.19 C ATOM 174 O GLY A 12 3.930 10.236 6.987 1.00 2.78 O ATOM 0 H GLY A 12 5.949 8.616 7.340 1.00 0.76 H new ATOM 0 HA2 GLY A 12 6.441 10.407 5.827 1.00 0.82 H new ATOM 0 HA3 GLY A 12 5.868 9.434 4.487 1.00 0.82 H new ATOM 178 N MET A 13 3.494 10.280 4.770 1.00 1.14 N ATOM 179 CA MET A 13 2.094 10.678 4.851 1.00 1.13 C ATOM 180 C MET A 13 1.889 11.896 5.750 1.00 1.21 C ATOM 181 O MET A 13 1.274 11.808 6.811 1.00 1.55 O ATOM 182 CB MET A 13 1.204 9.504 5.266 1.00 1.45 C ATOM 183 CG MET A 13 1.199 8.380 4.227 1.00 1.03 C ATOM 184 SD MET A 13 -0.001 7.063 4.551 1.00 1.37 S ATOM 185 CE MET A 13 0.665 6.426 6.097 1.00 1.53 C ATOM 0 H MET A 13 3.814 10.148 3.811 1.00 1.14 H new ATOM 0 HA MET A 13 1.789 10.980 3.849 1.00 1.13 H new ATOM 0 HB2 MET A 13 1.549 9.110 6.222 1.00 1.45 H new ATOM 0 HB3 MET A 13 0.185 9.860 5.417 1.00 1.45 H new ATOM 0 HG2 MET A 13 0.992 8.809 3.247 1.00 1.03 H new ATOM 0 HG3 MET A 13 2.196 7.942 4.179 1.00 1.03 H new ATOM 0 HE1 MET A 13 -0.003 5.661 6.493 1.00 1.53 H new ATOM 0 HE2 MET A 13 1.649 5.992 5.918 1.00 1.53 H new ATOM 0 HE3 MET A 13 0.753 7.239 6.818 1.00 1.53 H new ATOM 195 N THR A 14 2.376 13.052 5.304 1.00 1.21 N ATOM 196 CA THR A 14 2.231 14.301 6.031 1.00 1.50 C ATOM 197 C THR A 14 0.763 14.707 6.223 1.00 1.38 C ATOM 198 O THR A 14 0.455 15.398 7.194 1.00 1.63 O ATOM 199 CB THR A 14 3.034 15.387 5.301 1.00 1.76 C ATOM 200 OG1 THR A 14 2.953 15.192 3.902 1.00 3.49 O ATOM 201 CG2 THR A 14 4.513 15.298 5.683 1.00 1.90 C ATOM 0 H THR A 14 2.884 13.144 4.424 1.00 1.21 H new ATOM 0 HA THR A 14 2.626 14.169 7.038 1.00 1.50 H new ATOM 0 HB THR A 14 2.620 16.355 5.584 1.00 1.76 H new ATOM 0 HG1 THR A 14 2.091 15.525 3.575 1.00 3.49 H new ATOM 0 HG21 THR A 14 5.072 16.073 5.159 1.00 1.90 H new ATOM 0 HG22 THR A 14 4.620 15.438 6.759 1.00 1.90 H new ATOM 0 HG23 THR A 14 4.903 14.319 5.404 1.00 1.90 H new ATOM 209 N CYS A 15 -0.137 14.319 5.311 1.00 1.09 N ATOM 210 CA CYS A 15 -1.509 14.801 5.304 1.00 1.08 C ATOM 211 C CYS A 15 -2.383 13.899 4.430 1.00 0.97 C ATOM 212 O CYS A 15 -1.879 13.041 3.705 1.00 0.95 O ATOM 213 CB CYS A 15 -1.526 16.258 4.812 1.00 1.15 C ATOM 214 SG CYS A 15 -0.393 16.624 3.441 1.00 1.31 S ATOM 0 H CYS A 15 0.073 13.662 4.560 1.00 1.09 H new ATOM 0 HA CYS A 15 -1.920 14.771 6.313 1.00 1.08 H new ATOM 0 HB2 CYS A 15 -2.540 16.508 4.501 1.00 1.15 H new ATOM 0 HB3 CYS A 15 -1.280 16.911 5.650 1.00 1.15 H new ATOM 0 HG CYS A 15 -0.498 17.878 3.114 1.00 1.31 H new ATOM 219 N ALA A 16 -3.702 14.122 4.481 1.00 0.95 N ATOM 220 CA ALA A 16 -4.689 13.422 3.661 1.00 0.94 C ATOM 221 C ALA A 16 -4.278 13.401 2.186 1.00 0.94 C ATOM 222 O ALA A 16 -4.481 12.404 1.495 1.00 0.96 O ATOM 223 CB ALA A 16 -6.056 14.090 3.819 1.00 1.00 C ATOM 0 H ALA A 16 -4.118 14.810 5.109 1.00 0.95 H new ATOM 0 HA ALA A 16 -4.746 12.389 4.003 1.00 0.94 H new ATOM 0 HB1 ALA A 16 -6.790 13.566 3.207 1.00 1.00 H new ATOM 0 HB2 ALA A 16 -6.361 14.051 4.865 1.00 1.00 H new ATOM 0 HB3 ALA A 16 -5.992 15.130 3.499 1.00 1.00 H new ATOM 229 N SER A 17 -3.683 14.505 1.727 1.00 0.94 N ATOM 230 CA SER A 17 -3.097 14.707 0.416 1.00 1.02 C ATOM 231 C SER A 17 -2.172 13.562 -0.011 1.00 0.99 C ATOM 232 O SER A 17 -2.038 13.292 -1.206 1.00 1.25 O ATOM 233 CB SER A 17 -2.315 16.025 0.479 1.00 1.04 C ATOM 234 OG SER A 17 -2.999 16.936 1.325 1.00 1.59 O ATOM 0 H SER A 17 -3.596 15.337 2.311 1.00 0.94 H new ATOM 0 HA SER A 17 -3.891 14.737 -0.330 1.00 1.02 H new ATOM 0 HB2 SER A 17 -1.308 15.846 0.856 1.00 1.04 H new ATOM 0 HB3 SER A 17 -2.210 16.447 -0.520 1.00 1.04 H new ATOM 0 HG SER A 17 -2.461 17.106 2.126 1.00 1.59 H new ATOM 240 N CYS A 18 -1.468 12.950 0.940 1.00 0.79 N ATOM 241 CA CYS A 18 -0.771 11.688 0.759 1.00 0.66 C ATOM 242 C CYS A 18 -1.746 10.509 0.734 1.00 0.62 C ATOM 243 O CYS A 18 -1.821 9.763 -0.240 1.00 0.64 O ATOM 244 CB CYS A 18 0.267 11.550 1.867 1.00 0.61 C ATOM 245 SG CYS A 18 1.337 13.005 2.022 1.00 0.68 S ATOM 0 H CYS A 18 -1.367 13.332 1.880 1.00 0.79 H new ATOM 0 HA CYS A 18 -0.266 11.679 -0.207 1.00 0.66 H new ATOM 0 HB2 CYS A 18 -0.243 11.378 2.815 1.00 0.61 H new ATOM 0 HB3 CYS A 18 0.883 10.672 1.673 1.00 0.61 H new ATOM 0 HG CYS A 18 2.265 12.960 1.113 1.00 0.68 H new ATOM 250 N VAL A 19 -2.471 10.328 1.839 1.00 0.63 N ATOM 251 CA VAL A 19 -3.321 9.168 2.098 1.00 0.61 C ATOM 252 C VAL A 19 -4.172 8.826 0.868 1.00 0.52 C ATOM 253 O VAL A 19 -4.074 7.727 0.314 1.00 0.46 O ATOM 254 CB VAL A 19 -4.190 9.432 3.346 1.00 0.72 C ATOM 255 CG1 VAL A 19 -5.063 8.229 3.710 1.00 0.81 C ATOM 256 CG2 VAL A 19 -3.324 9.740 4.575 1.00 0.93 C ATOM 0 H VAL A 19 -2.482 11.006 2.601 1.00 0.63 H new ATOM 0 HA VAL A 19 -2.694 8.299 2.297 1.00 0.61 H new ATOM 0 HB VAL A 19 -4.818 10.285 3.087 1.00 0.72 H new ATOM 0 HG11 VAL A 19 -5.656 8.464 4.594 1.00 0.81 H new ATOM 0 HG12 VAL A 19 -5.728 7.997 2.878 1.00 0.81 H new ATOM 0 HG13 VAL A 19 -4.428 7.368 3.917 1.00 0.81 H new ATOM 0 HG21 VAL A 19 -3.966 9.921 5.437 1.00 0.93 H new ATOM 0 HG22 VAL A 19 -2.671 8.892 4.781 1.00 0.93 H new ATOM 0 HG23 VAL A 19 -2.719 10.626 4.381 1.00 0.93 H new ATOM 266 N HIS A 20 -4.982 9.789 0.419 1.00 0.59 N ATOM 267 CA HIS A 20 -5.896 9.566 -0.693 1.00 0.61 C ATOM 268 C HIS A 20 -5.137 9.234 -1.981 1.00 0.50 C ATOM 269 O HIS A 20 -5.637 8.523 -2.848 1.00 0.50 O ATOM 270 CB HIS A 20 -6.859 10.756 -0.865 1.00 0.93 C ATOM 271 CG HIS A 20 -6.333 11.937 -1.652 1.00 1.09 C ATOM 272 ND1 HIS A 20 -5.075 12.470 -1.602 1.00 1.32 N flip ATOM 273 CD2 HIS A 20 -7.029 12.631 -2.615 1.00 1.26 C flip ATOM 274 CE1 HIS A 20 -4.983 13.481 -2.565 1.00 1.58 C flip ATOM 275 NE2 HIS A 20 -6.197 13.552 -3.134 1.00 1.63 N flip ATOM 0 H HIS A 20 -5.020 10.729 0.812 1.00 0.59 H new ATOM 0 HA HIS A 20 -6.508 8.695 -0.460 1.00 0.61 H new ATOM 0 HB2 HIS A 20 -7.764 10.395 -1.353 1.00 0.93 H new ATOM 0 HB3 HIS A 20 -7.149 11.107 0.125 1.00 0.93 H new ATOM 0 HD2 HIS A 20 -8.057 12.466 -2.902 1.00 1.26 H new ATOM 0 HE1 HIS A 20 -4.116 14.080 -2.801 1.00 1.58 H new ATOM 0 HE2 HIS A 20 -6.455 14.217 -3.864 1.00 1.63 H new ATOM 283 N LYS A 21 -3.924 9.774 -2.124 1.00 0.57 N ATOM 284 CA LYS A 21 -3.104 9.626 -3.308 1.00 0.61 C ATOM 285 C LYS A 21 -2.602 8.194 -3.361 1.00 0.54 C ATOM 286 O LYS A 21 -2.729 7.535 -4.389 1.00 0.62 O ATOM 287 CB LYS A 21 -1.974 10.654 -3.237 1.00 0.71 C ATOM 288 CG LYS A 21 -1.140 10.782 -4.513 1.00 0.82 C ATOM 289 CD LYS A 21 -0.060 11.862 -4.338 1.00 1.15 C ATOM 290 CE LYS A 21 -0.522 13.299 -4.628 1.00 2.20 C ATOM 291 NZ LYS A 21 -1.657 13.756 -3.793 1.00 3.65 N ATOM 0 H LYS A 21 -3.483 10.338 -1.397 1.00 0.57 H new ATOM 0 HA LYS A 21 -3.661 9.813 -4.226 1.00 0.61 H new ATOM 0 HB2 LYS A 21 -2.403 11.628 -3.001 1.00 0.71 H new ATOM 0 HB3 LYS A 21 -1.312 10.389 -2.413 1.00 0.71 H new ATOM 0 HG2 LYS A 21 -0.673 9.826 -4.748 1.00 0.82 H new ATOM 0 HG3 LYS A 21 -1.786 11.036 -5.354 1.00 0.82 H new ATOM 0 HD2 LYS A 21 0.315 11.817 -3.315 1.00 1.15 H new ATOM 0 HD3 LYS A 21 0.777 11.626 -4.995 1.00 1.15 H new ATOM 0 HE2 LYS A 21 0.319 13.976 -4.478 1.00 2.20 H new ATOM 0 HE3 LYS A 21 -0.806 13.372 -5.678 1.00 2.20 H new ATOM 0 HZ1 LYS A 21 -1.733 14.792 -3.848 1.00 3.65 H new ATOM 0 HZ2 LYS A 21 -2.538 13.325 -4.139 1.00 3.65 H new ATOM 0 HZ3 LYS A 21 -1.497 13.473 -2.805 1.00 3.65 H new ATOM 305 N ILE A 22 -2.053 7.709 -2.244 1.00 0.44 N ATOM 306 CA ILE A 22 -1.636 6.322 -2.133 1.00 0.41 C ATOM 307 C ILE A 22 -2.822 5.426 -2.496 1.00 0.43 C ATOM 308 O ILE A 22 -2.718 4.605 -3.407 1.00 0.59 O ATOM 309 CB ILE A 22 -1.091 6.020 -0.723 1.00 0.41 C ATOM 310 CG1 ILE A 22 0.146 6.883 -0.419 1.00 0.43 C ATOM 311 CG2 ILE A 22 -0.715 4.534 -0.612 1.00 0.54 C ATOM 312 CD1 ILE A 22 0.483 6.892 1.073 1.00 0.66 C ATOM 0 H ILE A 22 -1.889 8.265 -1.404 1.00 0.44 H new ATOM 0 HA ILE A 22 -0.819 6.122 -2.826 1.00 0.41 H new ATOM 0 HB ILE A 22 -1.871 6.256 0.001 1.00 0.41 H new ATOM 0 HG12 ILE A 22 1.000 6.505 -0.982 1.00 0.43 H new ATOM 0 HG13 ILE A 22 -0.032 7.904 -0.757 1.00 0.43 H new ATOM 0 HG21 ILE A 22 -0.331 4.330 0.387 1.00 0.54 H new ATOM 0 HG22 ILE A 22 -1.598 3.921 -0.794 1.00 0.54 H new ATOM 0 HG23 ILE A 22 0.051 4.296 -1.351 1.00 0.54 H new ATOM 0 HD11 ILE A 22 1.363 7.513 1.244 1.00 0.66 H new ATOM 0 HD12 ILE A 22 -0.360 7.295 1.634 1.00 0.66 H new ATOM 0 HD13 ILE A 22 0.687 5.874 1.406 1.00 0.66 H new ATOM 324 N GLU A 23 -3.951 5.593 -1.804 1.00 0.40 N ATOM 325 CA GLU A 23 -5.073 4.672 -1.941 1.00 0.52 C ATOM 326 C GLU A 23 -5.674 4.718 -3.354 1.00 0.55 C ATOM 327 O GLU A 23 -5.905 3.676 -3.972 1.00 0.77 O ATOM 328 CB GLU A 23 -6.056 4.880 -0.781 1.00 0.75 C ATOM 329 CG GLU A 23 -7.271 5.770 -1.048 1.00 1.88 C ATOM 330 CD GLU A 23 -7.998 6.095 0.253 1.00 2.67 C ATOM 331 OE1 GLU A 23 -7.995 5.218 1.144 1.00 2.95 O ATOM 332 OE2 GLU A 23 -8.525 7.225 0.335 1.00 3.90 O ATOM 0 H GLU A 23 -4.109 6.356 -1.146 1.00 0.40 H new ATOM 0 HA GLU A 23 -4.734 3.640 -1.850 1.00 0.52 H new ATOM 0 HB2 GLU A 23 -6.417 3.902 -0.464 1.00 0.75 H new ATOM 0 HB3 GLU A 23 -5.504 5.304 0.058 1.00 0.75 H new ATOM 0 HG2 GLU A 23 -6.952 6.693 -1.533 1.00 1.88 H new ATOM 0 HG3 GLU A 23 -7.952 5.268 -1.735 1.00 1.88 H new ATOM 339 N SER A 24 -5.869 5.924 -3.891 1.00 0.46 N ATOM 340 CA SER A 24 -6.371 6.123 -5.242 1.00 0.56 C ATOM 341 C SER A 24 -5.386 5.560 -6.272 1.00 0.63 C ATOM 342 O SER A 24 -5.792 4.910 -7.236 1.00 0.80 O ATOM 343 CB SER A 24 -6.646 7.614 -5.477 1.00 0.58 C ATOM 344 OG SER A 24 -7.247 7.831 -6.739 1.00 0.84 O ATOM 0 H SER A 24 -5.680 6.794 -3.392 1.00 0.46 H new ATOM 0 HA SER A 24 -7.309 5.581 -5.362 1.00 0.56 H new ATOM 0 HB2 SER A 24 -7.298 7.995 -4.691 1.00 0.58 H new ATOM 0 HB3 SER A 24 -5.712 8.173 -5.415 1.00 0.58 H new ATOM 0 HG SER A 24 -7.413 8.789 -6.862 1.00 0.84 H new ATOM 350 N SER A 25 -4.084 5.792 -6.069 1.00 0.58 N ATOM 351 CA SER A 25 -3.060 5.340 -6.997 1.00 0.66 C ATOM 352 C SER A 25 -3.109 3.821 -7.022 1.00 0.73 C ATOM 353 O SER A 25 -3.249 3.219 -8.080 1.00 0.94 O ATOM 354 CB SER A 25 -1.678 5.870 -6.590 1.00 0.71 C ATOM 355 OG SER A 25 -0.698 5.468 -7.526 1.00 1.50 O ATOM 0 H SER A 25 -3.720 6.296 -5.260 1.00 0.58 H new ATOM 0 HA SER A 25 -3.245 5.728 -7.999 1.00 0.66 H new ATOM 0 HB2 SER A 25 -1.704 6.958 -6.526 1.00 0.71 H new ATOM 0 HB3 SER A 25 -1.417 5.498 -5.599 1.00 0.71 H new ATOM 0 HG SER A 25 0.177 5.815 -7.253 1.00 1.50 H new ATOM 361 N LEU A 26 -3.079 3.204 -5.842 1.00 0.69 N ATOM 362 CA LEU A 26 -3.239 1.774 -5.697 1.00 0.87 C ATOM 363 C LEU A 26 -4.431 1.258 -6.510 1.00 0.77 C ATOM 364 O LEU A 26 -4.270 0.364 -7.337 1.00 0.80 O ATOM 365 CB LEU A 26 -3.393 1.433 -4.217 1.00 1.08 C ATOM 366 CG LEU A 26 -2.063 1.369 -3.460 1.00 1.13 C ATOM 367 CD1 LEU A 26 -2.381 1.365 -1.964 1.00 3.09 C ATOM 368 CD2 LEU A 26 -1.265 0.108 -3.813 1.00 1.76 C ATOM 0 H LEU A 26 -2.941 3.694 -4.958 1.00 0.69 H new ATOM 0 HA LEU A 26 -2.351 1.278 -6.089 1.00 0.87 H new ATOM 0 HB2 LEU A 26 -4.034 2.178 -3.746 1.00 1.08 H new ATOM 0 HB3 LEU A 26 -3.900 0.473 -4.125 1.00 1.08 H new ATOM 0 HG LEU A 26 -1.453 2.228 -3.738 1.00 1.13 H new ATOM 0 HD11 LEU A 26 -1.453 1.320 -1.395 1.00 3.09 H new ATOM 0 HD12 LEU A 26 -2.922 2.275 -1.705 1.00 3.09 H new ATOM 0 HD13 LEU A 26 -2.996 0.497 -1.725 1.00 3.09 H new ATOM 0 HD21 LEU A 26 -0.329 0.102 -3.255 1.00 1.76 H new ATOM 0 HD22 LEU A 26 -1.848 -0.776 -3.554 1.00 1.76 H new ATOM 0 HD23 LEU A 26 -1.050 0.101 -4.882 1.00 1.76 H new ATOM 380 N THR A 27 -5.627 1.827 -6.329 1.00 0.70 N ATOM 381 CA THR A 27 -6.794 1.338 -7.061 1.00 0.70 C ATOM 382 C THR A 27 -6.643 1.392 -8.593 1.00 0.65 C ATOM 383 O THR A 27 -7.442 0.774 -9.293 1.00 1.04 O ATOM 384 CB THR A 27 -8.076 2.027 -6.571 1.00 0.85 C ATOM 385 OG1 THR A 27 -7.938 3.431 -6.529 1.00 1.98 O ATOM 386 CG2 THR A 27 -8.445 1.550 -5.165 1.00 1.45 C ATOM 0 H THR A 27 -5.809 2.607 -5.698 1.00 0.70 H new ATOM 0 HA THR A 27 -6.874 0.275 -6.834 1.00 0.70 H new ATOM 0 HB THR A 27 -8.858 1.762 -7.283 1.00 0.85 H new ATOM 0 HG1 THR A 27 -7.091 3.689 -6.949 1.00 1.98 H new ATOM 0 HG21 THR A 27 -9.356 2.051 -4.838 1.00 1.45 H new ATOM 0 HG22 THR A 27 -8.608 0.472 -5.178 1.00 1.45 H new ATOM 0 HG23 THR A 27 -7.634 1.786 -4.476 1.00 1.45 H new ATOM 394 N LYS A 28 -5.627 2.078 -9.137 1.00 0.64 N ATOM 395 CA LYS A 28 -5.353 2.026 -10.566 1.00 0.66 C ATOM 396 C LYS A 28 -4.958 0.617 -11.023 1.00 0.71 C ATOM 397 O LYS A 28 -5.226 0.251 -12.168 1.00 0.86 O ATOM 398 CB LYS A 28 -4.323 3.093 -10.973 1.00 0.87 C ATOM 399 CG LYS A 28 -2.835 2.719 -10.818 1.00 1.98 C ATOM 400 CD LYS A 28 -2.182 2.259 -12.132 1.00 3.31 C ATOM 401 CE LYS A 28 -1.921 3.444 -13.079 1.00 3.58 C ATOM 402 NZ LYS A 28 -1.255 3.022 -14.328 1.00 5.05 N ATOM 0 H LYS A 28 -4.989 2.670 -8.606 1.00 0.64 H new ATOM 0 HA LYS A 28 -6.279 2.263 -11.090 1.00 0.66 H new ATOM 0 HB2 LYS A 28 -4.500 3.356 -12.016 1.00 0.87 H new ATOM 0 HB3 LYS A 28 -4.511 3.989 -10.382 1.00 0.87 H new ATOM 0 HG2 LYS A 28 -2.290 3.580 -10.432 1.00 1.98 H new ATOM 0 HG3 LYS A 28 -2.743 1.925 -10.077 1.00 1.98 H new ATOM 0 HD2 LYS A 28 -1.242 1.752 -11.914 1.00 3.31 H new ATOM 0 HD3 LYS A 28 -2.828 1.533 -12.626 1.00 3.31 H new ATOM 0 HE2 LYS A 28 -2.866 3.930 -13.319 1.00 3.58 H new ATOM 0 HE3 LYS A 28 -1.302 4.184 -12.571 1.00 3.58 H new ATOM 0 HZ1 LYS A 28 -1.099 3.852 -14.936 1.00 5.05 H new ATOM 0 HZ2 LYS A 28 -0.341 2.581 -14.102 1.00 5.05 H new ATOM 0 HZ3 LYS A 28 -1.856 2.336 -14.827 1.00 5.05 H new ATOM 416 N HIS A 29 -4.284 -0.165 -10.169 1.00 0.77 N ATOM 417 CA HIS A 29 -3.874 -1.514 -10.531 1.00 1.01 C ATOM 418 C HIS A 29 -5.012 -2.466 -10.175 1.00 1.26 C ATOM 419 O HIS A 29 -5.229 -2.747 -9.002 1.00 1.99 O ATOM 420 CB HIS A 29 -2.578 -1.953 -9.823 1.00 0.99 C ATOM 421 CG HIS A 29 -1.633 -0.859 -9.400 1.00 1.06 C ATOM 422 ND1 HIS A 29 -0.598 -0.322 -10.130 1.00 1.46 N ATOM 423 CD2 HIS A 29 -1.519 -0.386 -8.123 1.00 1.57 C ATOM 424 CE1 HIS A 29 0.086 0.498 -9.311 1.00 1.51 C ATOM 425 NE2 HIS A 29 -0.443 0.496 -8.079 1.00 1.59 N ATOM 0 H HIS A 29 -4.015 0.119 -9.227 1.00 0.77 H new ATOM 0 HA HIS A 29 -3.662 -1.534 -11.600 1.00 1.01 H new ATOM 0 HB2 HIS A 29 -2.852 -2.527 -8.938 1.00 0.99 H new ATOM 0 HB3 HIS A 29 -2.040 -2.629 -10.487 1.00 0.99 H new ATOM 0 HD1 HIS A 29 -0.388 -0.510 -11.110 1.00 1.46 H new ATOM 0 HD2 HIS A 29 -2.155 -0.651 -7.291 1.00 1.57 H new ATOM 0 HE1 HIS A 29 0.946 1.080 -9.607 1.00 1.51 H new ATOM 433 N ARG A 30 -5.699 -3.039 -11.163 1.00 1.26 N ATOM 434 CA ARG A 30 -6.694 -4.073 -10.877 1.00 1.47 C ATOM 435 C ARG A 30 -6.075 -5.287 -10.167 1.00 1.35 C ATOM 436 O ARG A 30 -6.794 -6.086 -9.573 1.00 2.15 O ATOM 437 CB ARG A 30 -7.412 -4.491 -12.166 1.00 1.96 C ATOM 438 CG ARG A 30 -8.194 -3.320 -12.775 1.00 2.42 C ATOM 439 CD ARG A 30 -8.964 -3.783 -14.015 1.00 3.12 C ATOM 440 NE ARG A 30 -9.734 -2.674 -14.601 1.00 4.01 N ATOM 441 CZ ARG A 30 -10.509 -2.772 -15.693 1.00 4.98 C ATOM 442 NH1 ARG A 30 -10.613 -3.944 -16.331 1.00 5.35 N ATOM 443 NH2 ARG A 30 -11.174 -1.701 -16.141 1.00 6.19 N ATOM 0 H ARG A 30 -5.589 -2.811 -12.151 1.00 1.26 H new ATOM 0 HA ARG A 30 -7.428 -3.648 -10.192 1.00 1.47 H new ATOM 0 HB2 ARG A 30 -6.683 -4.858 -12.888 1.00 1.96 H new ATOM 0 HB3 ARG A 30 -8.094 -5.315 -11.954 1.00 1.96 H new ATOM 0 HG2 ARG A 30 -8.888 -2.915 -12.038 1.00 2.42 H new ATOM 0 HG3 ARG A 30 -7.508 -2.516 -13.043 1.00 2.42 H new ATOM 0 HD2 ARG A 30 -8.267 -4.177 -14.754 1.00 3.12 H new ATOM 0 HD3 ARG A 30 -9.638 -4.597 -13.747 1.00 3.12 H new ATOM 0 HE ARG A 30 -9.674 -1.764 -14.144 1.00 4.01 H new ATOM 0 HH11 ARG A 30 -10.105 -4.759 -15.987 1.00 5.35 H new ATOM 0 HH12 ARG A 30 -11.201 -4.022 -17.161 1.00 5.35 H new ATOM 0 HH21 ARG A 30 -11.092 -0.809 -15.653 1.00 6.19 H new ATOM 0 HH22 ARG A 30 -11.763 -1.776 -16.971 1.00 6.19 H new ATOM 457 N GLY A 31 -4.746 -5.423 -10.217 1.00 0.84 N ATOM 458 CA GLY A 31 -4.018 -6.393 -9.422 1.00 0.74 C ATOM 459 C GLY A 31 -4.259 -6.226 -7.923 1.00 0.71 C ATOM 460 O GLY A 31 -4.267 -7.226 -7.207 1.00 1.01 O ATOM 0 H GLY A 31 -4.149 -4.854 -10.818 1.00 0.84 H new ATOM 0 HA2 GLY A 31 -4.312 -7.398 -9.723 1.00 0.74 H new ATOM 0 HA3 GLY A 31 -2.952 -6.298 -9.627 1.00 0.74 H new ATOM 464 N ILE A 32 -4.446 -4.995 -7.425 1.00 0.74 N ATOM 465 CA ILE A 32 -4.832 -4.822 -6.039 1.00 0.74 C ATOM 466 C ILE A 32 -6.352 -4.973 -5.982 1.00 0.76 C ATOM 467 O ILE A 32 -7.077 -4.374 -6.775 1.00 1.03 O ATOM 468 CB ILE A 32 -4.226 -3.556 -5.403 1.00 0.97 C ATOM 469 CG1 ILE A 32 -4.896 -2.205 -5.685 1.00 1.61 C ATOM 470 CG2 ILE A 32 -2.728 -3.467 -5.709 1.00 1.52 C ATOM 471 CD1 ILE A 32 -6.125 -1.954 -4.813 1.00 2.56 C ATOM 0 H ILE A 32 -4.337 -4.131 -7.955 1.00 0.74 H new ATOM 0 HA ILE A 32 -4.406 -5.590 -5.394 1.00 0.74 H new ATOM 0 HB ILE A 32 -4.423 -3.712 -4.342 1.00 0.97 H new ATOM 0 HG12 ILE A 32 -4.173 -1.406 -5.522 1.00 1.61 H new ATOM 0 HG13 ILE A 32 -5.187 -2.162 -6.735 1.00 1.61 H new ATOM 0 HG21 ILE A 32 -2.316 -2.567 -5.252 1.00 1.52 H new ATOM 0 HG22 ILE A 32 -2.221 -4.343 -5.305 1.00 1.52 H new ATOM 0 HG23 ILE A 32 -2.579 -3.427 -6.788 1.00 1.52 H new ATOM 0 HD11 ILE A 32 -6.554 -0.983 -5.060 1.00 2.56 H new ATOM 0 HD12 ILE A 32 -6.865 -2.734 -4.994 1.00 2.56 H new ATOM 0 HD13 ILE A 32 -5.834 -1.966 -3.763 1.00 2.56 H new ATOM 483 N LEU A 33 -6.825 -5.836 -5.088 1.00 0.66 N ATOM 484 CA LEU A 33 -8.227 -6.183 -4.931 1.00 0.73 C ATOM 485 C LEU A 33 -8.894 -5.181 -3.992 1.00 0.77 C ATOM 486 O LEU A 33 -10.060 -4.841 -4.174 1.00 0.94 O ATOM 487 CB LEU A 33 -8.340 -7.613 -4.379 1.00 0.79 C ATOM 488 CG LEU A 33 -7.650 -8.671 -5.260 1.00 1.07 C ATOM 489 CD1 LEU A 33 -7.648 -10.020 -4.534 1.00 2.03 C ATOM 490 CD2 LEU A 33 -8.332 -8.821 -6.625 1.00 1.42 C ATOM 0 H LEU A 33 -6.219 -6.328 -4.432 1.00 0.66 H new ATOM 0 HA LEU A 33 -8.733 -6.144 -5.896 1.00 0.73 H new ATOM 0 HB2 LEU A 33 -7.904 -7.643 -3.381 1.00 0.79 H new ATOM 0 HB3 LEU A 33 -9.394 -7.871 -4.274 1.00 0.79 H new ATOM 0 HG LEU A 33 -6.628 -8.337 -5.439 1.00 1.07 H new ATOM 0 HD11 LEU A 33 -7.160 -10.768 -5.158 1.00 2.03 H new ATOM 0 HD12 LEU A 33 -7.109 -9.925 -3.592 1.00 2.03 H new ATOM 0 HD13 LEU A 33 -8.675 -10.328 -4.335 1.00 2.03 H new ATOM 0 HD21 LEU A 33 -7.811 -9.578 -7.211 1.00 1.42 H new ATOM 0 HD22 LEU A 33 -9.369 -9.124 -6.482 1.00 1.42 H new ATOM 0 HD23 LEU A 33 -8.302 -7.868 -7.154 1.00 1.42 H new ATOM 502 N TYR A 34 -8.159 -4.712 -2.977 1.00 0.67 N ATOM 503 CA TYR A 34 -8.644 -3.714 -2.039 1.00 0.72 C ATOM 504 C TYR A 34 -7.446 -2.980 -1.462 1.00 0.64 C ATOM 505 O TYR A 34 -6.402 -3.601 -1.272 1.00 0.64 O ATOM 506 CB TYR A 34 -9.408 -4.403 -0.901 1.00 0.79 C ATOM 507 CG TYR A 34 -9.980 -3.461 0.137 1.00 0.86 C ATOM 508 CD1 TYR A 34 -10.943 -2.505 -0.230 1.00 1.61 C ATOM 509 CD2 TYR A 34 -9.527 -3.526 1.469 1.00 2.01 C ATOM 510 CE1 TYR A 34 -11.433 -1.598 0.724 1.00 1.67 C ATOM 511 CE2 TYR A 34 -10.060 -2.657 2.433 1.00 2.09 C ATOM 512 CZ TYR A 34 -10.980 -1.665 2.053 1.00 1.14 C ATOM 513 OH TYR A 34 -11.429 -0.777 2.983 1.00 1.35 O ATOM 0 H TYR A 34 -7.205 -5.022 -2.789 1.00 0.67 H new ATOM 0 HA TYR A 34 -9.311 -3.017 -2.547 1.00 0.72 H new ATOM 0 HB2 TYR A 34 -10.222 -4.987 -1.330 1.00 0.79 H new ATOM 0 HB3 TYR A 34 -8.738 -5.105 -0.405 1.00 0.79 H new ATOM 0 HD1 TYR A 34 -11.306 -2.468 -1.246 1.00 1.61 H new ATOM 0 HD2 TYR A 34 -8.770 -4.244 1.748 1.00 2.01 H new ATOM 0 HE1 TYR A 34 -12.157 -0.850 0.437 1.00 1.67 H new ATOM 0 HE2 TYR A 34 -9.763 -2.750 3.467 1.00 2.09 H new ATOM 0 HH TYR A 34 -11.012 -0.971 3.849 1.00 1.35 H new ATOM 523 N CYS A 35 -7.603 -1.694 -1.148 1.00 0.65 N ATOM 524 CA CYS A 35 -6.636 -0.918 -0.386 1.00 0.64 C ATOM 525 C CYS A 35 -7.335 -0.302 0.827 1.00 0.74 C ATOM 526 O CYS A 35 -8.525 0.006 0.777 1.00 1.28 O ATOM 527 CB CYS A 35 -5.988 0.157 -1.267 1.00 0.72 C ATOM 528 SG CYS A 35 -7.183 1.454 -1.666 1.00 2.74 S ATOM 0 H CYS A 35 -8.424 -1.156 -1.424 1.00 0.65 H new ATOM 0 HA CYS A 35 -5.836 -1.571 -0.037 1.00 0.64 H new ATOM 0 HB2 CYS A 35 -5.131 0.590 -0.751 1.00 0.72 H new ATOM 0 HB3 CYS A 35 -5.613 -0.295 -2.185 1.00 0.72 H new ATOM 0 HG CYS A 35 -6.680 2.246 -2.566 1.00 2.74 H new ATOM 534 N SER A 36 -6.603 -0.158 1.933 1.00 0.44 N ATOM 535 CA SER A 36 -7.022 0.594 3.106 1.00 0.54 C ATOM 536 C SER A 36 -5.769 1.105 3.810 1.00 0.47 C ATOM 537 O SER A 36 -5.117 0.356 4.547 1.00 0.65 O ATOM 538 CB SER A 36 -7.881 -0.270 4.036 1.00 0.75 C ATOM 539 OG SER A 36 -8.179 0.417 5.246 1.00 1.55 O ATOM 0 H SER A 36 -5.678 -0.575 2.035 1.00 0.44 H new ATOM 0 HA SER A 36 -7.644 1.439 2.809 1.00 0.54 H new ATOM 0 HB2 SER A 36 -8.808 -0.542 3.531 1.00 0.75 H new ATOM 0 HB3 SER A 36 -7.357 -1.199 4.261 1.00 0.75 H new ATOM 0 HG SER A 36 -8.729 -0.156 5.820 1.00 1.55 H new ATOM 545 N VAL A 37 -5.458 2.382 3.603 1.00 0.45 N ATOM 546 CA VAL A 37 -4.353 3.085 4.234 1.00 0.44 C ATOM 547 C VAL A 37 -4.810 3.734 5.543 1.00 0.54 C ATOM 548 O VAL A 37 -6.005 3.918 5.762 1.00 0.83 O ATOM 549 CB VAL A 37 -3.793 4.137 3.263 1.00 0.66 C ATOM 550 CG1 VAL A 37 -3.083 3.475 2.079 1.00 1.24 C ATOM 551 CG2 VAL A 37 -4.898 5.054 2.729 1.00 1.92 C ATOM 0 H VAL A 37 -5.991 2.975 2.967 1.00 0.45 H new ATOM 0 HA VAL A 37 -3.563 2.374 4.474 1.00 0.44 H new ATOM 0 HB VAL A 37 -3.077 4.734 3.828 1.00 0.66 H new ATOM 0 HG11 VAL A 37 -2.698 4.244 1.410 1.00 1.24 H new ATOM 0 HG12 VAL A 37 -2.257 2.865 2.445 1.00 1.24 H new ATOM 0 HG13 VAL A 37 -3.788 2.844 1.538 1.00 1.24 H new ATOM 0 HG21 VAL A 37 -4.466 5.785 2.046 1.00 1.92 H new ATOM 0 HG22 VAL A 37 -5.641 4.458 2.200 1.00 1.92 H new ATOM 0 HG23 VAL A 37 -5.374 5.572 3.561 1.00 1.92 H new ATOM 561 N ALA A 38 -3.863 4.088 6.415 1.00 0.49 N ATOM 562 CA ALA A 38 -4.058 5.140 7.405 1.00 0.64 C ATOM 563 C ALA A 38 -2.705 5.692 7.824 1.00 0.72 C ATOM 564 O ALA A 38 -1.809 4.905 8.113 1.00 0.76 O ATOM 565 CB ALA A 38 -4.756 4.615 8.657 1.00 0.79 C ATOM 0 H ALA A 38 -2.942 3.652 6.452 1.00 0.49 H new ATOM 0 HA ALA A 38 -4.679 5.910 6.948 1.00 0.64 H new ATOM 0 HB1 ALA A 38 -4.883 5.429 9.371 1.00 0.79 H new ATOM 0 HB2 ALA A 38 -5.733 4.213 8.388 1.00 0.79 H new ATOM 0 HB3 ALA A 38 -4.151 3.828 9.108 1.00 0.79 H new ATOM 571 N LEU A 39 -2.597 7.014 7.970 1.00 0.84 N ATOM 572 CA LEU A 39 -1.533 7.625 8.761 1.00 0.81 C ATOM 573 C LEU A 39 -1.861 7.458 10.239 1.00 0.71 C ATOM 574 O LEU A 39 -0.972 7.211 11.048 1.00 0.72 O ATOM 575 CB LEU A 39 -1.243 9.075 8.327 1.00 1.19 C ATOM 576 CG LEU A 39 -2.343 10.132 8.553 1.00 0.93 C ATOM 577 CD1 LEU A 39 -2.361 10.692 9.984 1.00 1.65 C ATOM 578 CD2 LEU A 39 -2.080 11.327 7.628 1.00 1.28 C ATOM 0 H LEU A 39 -3.239 7.684 7.547 1.00 0.84 H new ATOM 0 HA LEU A 39 -0.590 7.110 8.578 1.00 0.81 H new ATOM 0 HB2 LEU A 39 -0.347 9.408 8.852 1.00 1.19 H new ATOM 0 HB3 LEU A 39 -1.004 9.064 7.264 1.00 1.19 H new ATOM 0 HG LEU A 39 -3.292 9.634 8.356 1.00 0.93 H new ATOM 0 HD11 LEU A 39 -3.158 11.430 10.076 1.00 1.65 H new ATOM 0 HD12 LEU A 39 -2.535 9.880 10.690 1.00 1.65 H new ATOM 0 HD13 LEU A 39 -1.403 11.163 10.202 1.00 1.65 H new ATOM 0 HD21 LEU A 39 -2.852 12.081 7.779 1.00 1.28 H new ATOM 0 HD22 LEU A 39 -1.104 11.756 7.856 1.00 1.28 H new ATOM 0 HD23 LEU A 39 -2.096 10.994 6.590 1.00 1.28 H new ATOM 590 N ALA A 40 -3.158 7.467 10.572 1.00 0.96 N ATOM 591 CA ALA A 40 -3.658 7.303 11.932 1.00 1.17 C ATOM 592 C ALA A 40 -3.241 5.962 12.536 1.00 1.23 C ATOM 593 O ALA A 40 -3.376 5.749 13.738 1.00 1.87 O ATOM 594 CB ALA A 40 -5.181 7.421 11.920 1.00 1.63 C ATOM 0 H ALA A 40 -3.901 7.592 9.884 1.00 0.96 H new ATOM 0 HA ALA A 40 -3.224 8.086 12.553 1.00 1.17 H new ATOM 0 HB1 ALA A 40 -5.563 7.300 12.933 1.00 1.63 H new ATOM 0 HB2 ALA A 40 -5.467 8.402 11.539 1.00 1.63 H new ATOM 0 HB3 ALA A 40 -5.601 6.646 11.279 1.00 1.63 H new ATOM 600 N THR A 41 -2.788 5.020 11.707 1.00 0.98 N ATOM 601 CA THR A 41 -2.215 3.765 12.169 1.00 0.99 C ATOM 602 C THR A 41 -0.995 3.389 11.327 1.00 0.91 C ATOM 603 O THR A 41 -0.586 2.233 11.311 1.00 1.44 O ATOM 604 CB THR A 41 -3.339 2.712 12.189 1.00 1.28 C ATOM 605 OG1 THR A 41 -4.467 3.254 12.851 1.00 2.40 O ATOM 606 CG2 THR A 41 -2.971 1.394 12.872 1.00 1.43 C ATOM 0 H THR A 41 -2.811 5.112 10.691 1.00 0.98 H new ATOM 0 HA THR A 41 -1.828 3.844 13.185 1.00 0.99 H new ATOM 0 HB THR A 41 -3.540 2.475 11.144 1.00 1.28 H new ATOM 0 HG1 THR A 41 -5.188 2.590 12.866 1.00 2.40 H new ATOM 0 HG21 THR A 41 -3.824 0.716 12.837 1.00 1.43 H new ATOM 0 HG22 THR A 41 -2.125 0.940 12.356 1.00 1.43 H new ATOM 0 HG23 THR A 41 -2.702 1.585 13.911 1.00 1.43 H new ATOM 614 N ASN A 42 -0.404 4.377 10.646 1.00 0.59 N ATOM 615 CA ASN A 42 0.719 4.226 9.727 1.00 0.63 C ATOM 616 C ASN A 42 0.721 2.913 8.958 1.00 0.67 C ATOM 617 O ASN A 42 1.769 2.302 8.795 1.00 0.89 O ATOM 618 CB ASN A 42 2.036 4.478 10.480 1.00 0.82 C ATOM 619 CG ASN A 42 2.235 5.974 10.580 1.00 0.71 C ATOM 620 OD1 ASN A 42 2.192 6.564 11.653 1.00 1.48 O ATOM 621 ND2 ASN A 42 2.381 6.594 9.418 1.00 1.70 N ATOM 0 H ASN A 42 -0.713 5.346 10.727 1.00 0.59 H new ATOM 0 HA ASN A 42 0.608 4.981 8.949 1.00 0.63 H new ATOM 0 HB2 ASN A 42 1.999 4.031 11.473 1.00 0.82 H new ATOM 0 HB3 ASN A 42 2.871 4.016 9.953 1.00 0.82 H new ATOM 0 HD21 ASN A 42 2.464 7.610 9.389 1.00 1.70 H new ATOM 0 HD22 ASN A 42 2.411 6.055 8.553 1.00 1.70 H new ATOM 628 N LYS A 43 -0.437 2.496 8.449 1.00 0.60 N ATOM 629 CA LYS A 43 -0.622 1.179 7.867 1.00 0.66 C ATOM 630 C LYS A 43 -1.120 1.305 6.444 1.00 0.50 C ATOM 631 O LYS A 43 -1.723 2.316 6.074 1.00 0.49 O ATOM 632 CB LYS A 43 -1.541 0.305 8.737 1.00 0.85 C ATOM 633 CG LYS A 43 -2.968 0.839 8.942 1.00 1.45 C ATOM 634 CD LYS A 43 -3.906 0.474 7.782 1.00 1.20 C ATOM 635 CE LYS A 43 -5.376 0.806 8.064 1.00 1.70 C ATOM 636 NZ LYS A 43 -6.237 0.203 7.026 1.00 2.64 N ATOM 0 H LYS A 43 -1.278 3.073 8.432 1.00 0.60 H new ATOM 0 HA LYS A 43 0.341 0.670 7.836 1.00 0.66 H new ATOM 0 HB2 LYS A 43 -1.604 -0.685 8.286 1.00 0.85 H new ATOM 0 HB3 LYS A 43 -1.075 0.181 9.715 1.00 0.85 H new ATOM 0 HG2 LYS A 43 -3.372 0.438 9.872 1.00 1.45 H new ATOM 0 HG3 LYS A 43 -2.935 1.923 9.050 1.00 1.45 H new ATOM 0 HD2 LYS A 43 -3.587 1.004 6.885 1.00 1.20 H new ATOM 0 HD3 LYS A 43 -3.815 -0.592 7.572 1.00 1.20 H new ATOM 0 HE2 LYS A 43 -5.660 0.431 9.047 1.00 1.70 H new ATOM 0 HE3 LYS A 43 -5.517 1.887 8.082 1.00 1.70 H new ATOM 0 HZ1 LYS A 43 -6.943 0.900 6.713 1.00 2.64 H new ATOM 0 HZ2 LYS A 43 -5.653 -0.086 6.216 1.00 2.64 H new ATOM 0 HZ3 LYS A 43 -6.722 -0.629 7.418 1.00 2.64 H new ATOM 650 N ALA A 44 -0.907 0.243 5.674 1.00 0.55 N ATOM 651 CA ALA A 44 -1.579 0.002 4.418 1.00 0.50 C ATOM 652 C ALA A 44 -1.869 -1.483 4.330 1.00 0.51 C ATOM 653 O ALA A 44 -0.950 -2.300 4.307 1.00 0.69 O ATOM 654 CB ALA A 44 -0.755 0.498 3.234 1.00 0.55 C ATOM 0 H ALA A 44 -0.242 -0.490 5.920 1.00 0.55 H new ATOM 0 HA ALA A 44 -2.513 0.562 4.378 1.00 0.50 H new ATOM 0 HB1 ALA A 44 -1.293 0.299 2.307 1.00 0.55 H new ATOM 0 HB2 ALA A 44 -0.586 1.570 3.332 1.00 0.55 H new ATOM 0 HB3 ALA A 44 0.204 -0.020 3.215 1.00 0.55 H new ATOM 660 N HIS A 45 -3.162 -1.809 4.321 1.00 0.49 N ATOM 661 CA HIS A 45 -3.661 -3.138 4.049 1.00 0.53 C ATOM 662 C HIS A 45 -4.094 -3.135 2.590 1.00 0.48 C ATOM 663 O HIS A 45 -5.114 -2.538 2.247 1.00 0.55 O ATOM 664 CB HIS A 45 -4.769 -3.461 5.055 1.00 0.65 C ATOM 665 CG HIS A 45 -5.236 -4.888 4.975 1.00 0.73 C ATOM 666 ND1 HIS A 45 -5.144 -5.847 5.957 1.00 0.92 N ATOM 667 CD2 HIS A 45 -5.816 -5.463 3.883 1.00 0.73 C ATOM 668 CE1 HIS A 45 -5.683 -6.976 5.461 1.00 1.00 C ATOM 669 NE2 HIS A 45 -6.135 -6.786 4.205 1.00 0.89 N ATOM 0 H HIS A 45 -3.902 -1.132 4.509 1.00 0.49 H new ATOM 0 HA HIS A 45 -2.922 -3.930 4.175 1.00 0.53 H new ATOM 0 HB2 HIS A 45 -4.407 -3.259 6.063 1.00 0.65 H new ATOM 0 HB3 HIS A 45 -5.616 -2.797 4.881 1.00 0.65 H new ATOM 0 HD1 HIS A 45 -4.743 -5.725 6.887 1.00 0.92 H new ATOM 0 HD2 HIS A 45 -5.998 -4.980 2.934 1.00 0.73 H new ATOM 0 HE1 HIS A 45 -5.745 -7.911 5.998 1.00 1.00 H new ATOM 677 N ILE A 46 -3.284 -3.772 1.744 1.00 0.50 N ATOM 678 CA ILE A 46 -3.528 -3.986 0.333 1.00 0.49 C ATOM 679 C ILE A 46 -3.854 -5.468 0.185 1.00 0.56 C ATOM 680 O ILE A 46 -2.981 -6.314 0.361 1.00 1.05 O ATOM 681 CB ILE A 46 -2.292 -3.570 -0.495 1.00 0.55 C ATOM 682 CG1 ILE A 46 -2.240 -2.058 -0.743 1.00 1.44 C ATOM 683 CG2 ILE A 46 -2.290 -4.248 -1.869 1.00 1.35 C ATOM 684 CD1 ILE A 46 -2.109 -1.239 0.538 1.00 1.82 C ATOM 0 H ILE A 46 -2.396 -4.170 2.049 1.00 0.50 H new ATOM 0 HA ILE A 46 -4.353 -3.379 -0.040 1.00 0.49 H new ATOM 0 HB ILE A 46 -1.429 -3.880 0.095 1.00 0.55 H new ATOM 0 HG12 ILE A 46 -1.398 -1.833 -1.397 1.00 1.44 H new ATOM 0 HG13 ILE A 46 -3.144 -1.752 -1.270 1.00 1.44 H new ATOM 0 HG21 ILE A 46 -1.408 -3.935 -2.428 1.00 1.35 H new ATOM 0 HG22 ILE A 46 -2.273 -5.330 -1.741 1.00 1.35 H new ATOM 0 HG23 ILE A 46 -3.187 -3.961 -2.417 1.00 1.35 H new ATOM 0 HD11 ILE A 46 -2.078 -0.178 0.290 1.00 1.82 H new ATOM 0 HD12 ILE A 46 -2.964 -1.436 1.185 1.00 1.82 H new ATOM 0 HD13 ILE A 46 -1.191 -1.518 1.056 1.00 1.82 H new ATOM 696 N LYS A 47 -5.105 -5.802 -0.126 1.00 0.52 N ATOM 697 CA LYS A 47 -5.418 -7.139 -0.599 1.00 0.56 C ATOM 698 C LYS A 47 -5.114 -7.158 -2.094 1.00 0.55 C ATOM 699 O LYS A 47 -5.452 -6.187 -2.775 1.00 0.62 O ATOM 700 CB LYS A 47 -6.885 -7.472 -0.349 1.00 0.68 C ATOM 701 CG LYS A 47 -7.254 -7.474 1.135 1.00 0.67 C ATOM 702 CD LYS A 47 -8.695 -7.981 1.299 1.00 1.25 C ATOM 703 CE LYS A 47 -9.030 -8.382 2.743 1.00 1.91 C ATOM 704 NZ LYS A 47 -8.775 -7.297 3.709 1.00 3.89 N ATOM 0 H LYS A 47 -5.904 -5.172 -0.059 1.00 0.52 H new ATOM 0 HA LYS A 47 -4.826 -7.885 -0.069 1.00 0.56 H new ATOM 0 HB2 LYS A 47 -7.510 -6.748 -0.872 1.00 0.68 H new ATOM 0 HB3 LYS A 47 -7.107 -8.451 -0.774 1.00 0.68 H new ATOM 0 HG2 LYS A 47 -6.567 -8.111 1.692 1.00 0.67 H new ATOM 0 HG3 LYS A 47 -7.161 -6.469 1.546 1.00 0.67 H new ATOM 0 HD2 LYS A 47 -9.387 -7.204 0.974 1.00 1.25 H new ATOM 0 HD3 LYS A 47 -8.849 -8.839 0.645 1.00 1.25 H new ATOM 0 HE2 LYS A 47 -10.078 -8.675 2.800 1.00 1.91 H new ATOM 0 HE3 LYS A 47 -8.439 -9.255 3.020 1.00 1.91 H new ATOM 0 HZ1 LYS A 47 -9.245 -7.517 4.610 1.00 3.89 H new ATOM 0 HZ2 LYS A 47 -7.751 -7.205 3.866 1.00 3.89 H new ATOM 0 HZ3 LYS A 47 -9.149 -6.402 3.333 1.00 3.89 H new ATOM 718 N TYR A 48 -4.469 -8.207 -2.609 1.00 0.75 N ATOM 719 CA TYR A 48 -3.924 -8.177 -3.963 1.00 0.73 C ATOM 720 C TYR A 48 -3.703 -9.566 -4.542 1.00 0.62 C ATOM 721 O TYR A 48 -3.490 -10.517 -3.794 1.00 0.73 O ATOM 722 CB TYR A 48 -2.603 -7.396 -3.985 1.00 0.80 C ATOM 723 CG TYR A 48 -1.404 -8.133 -3.405 1.00 0.73 C ATOM 724 CD1 TYR A 48 -1.416 -8.630 -2.087 1.00 1.68 C ATOM 725 CD2 TYR A 48 -0.297 -8.401 -4.229 1.00 1.61 C ATOM 726 CE1 TYR A 48 -0.369 -9.450 -1.630 1.00 1.72 C ATOM 727 CE2 TYR A 48 0.807 -9.108 -3.727 1.00 1.70 C ATOM 728 CZ TYR A 48 0.754 -9.672 -2.444 1.00 0.93 C ATOM 729 OH TYR A 48 1.807 -10.406 -1.985 1.00 1.11 O ATOM 0 H TYR A 48 -4.313 -9.083 -2.110 1.00 0.75 H new ATOM 0 HA TYR A 48 -4.666 -7.679 -4.587 1.00 0.73 H new ATOM 0 HB2 TYR A 48 -2.378 -7.124 -5.016 1.00 0.80 H new ATOM 0 HB3 TYR A 48 -2.740 -6.466 -3.432 1.00 0.80 H new ATOM 0 HD1 TYR A 48 -2.232 -8.380 -1.425 1.00 1.68 H new ATOM 0 HD2 TYR A 48 -0.296 -8.061 -5.254 1.00 1.61 H new ATOM 0 HE1 TYR A 48 -0.428 -9.909 -0.654 1.00 1.72 H new ATOM 0 HE2 TYR A 48 1.697 -9.218 -4.329 1.00 1.70 H new ATOM 0 HH TYR A 48 2.496 -10.459 -2.680 1.00 1.11 H new ATOM 739 N ASP A 49 -3.703 -9.652 -5.874 1.00 0.59 N ATOM 740 CA ASP A 49 -3.248 -10.813 -6.616 1.00 0.66 C ATOM 741 C ASP A 49 -1.731 -10.684 -6.839 1.00 0.69 C ATOM 742 O ASP A 49 -1.291 -9.708 -7.451 1.00 0.76 O ATOM 743 CB ASP A 49 -3.993 -10.892 -7.950 1.00 0.82 C ATOM 744 CG ASP A 49 -3.505 -12.078 -8.769 1.00 1.91 C ATOM 745 OD1 ASP A 49 -2.303 -12.075 -9.115 1.00 3.17 O ATOM 746 OD2 ASP A 49 -4.332 -12.977 -9.017 1.00 2.56 O ATOM 0 H ASP A 49 -4.029 -8.894 -6.474 1.00 0.59 H new ATOM 0 HA ASP A 49 -3.452 -11.728 -6.060 1.00 0.66 H new ATOM 0 HB2 ASP A 49 -5.064 -10.985 -7.769 1.00 0.82 H new ATOM 0 HB3 ASP A 49 -3.843 -9.970 -8.511 1.00 0.82 H new ATOM 751 N PRO A 50 -0.924 -11.639 -6.350 1.00 0.80 N ATOM 752 CA PRO A 50 0.526 -11.552 -6.396 1.00 0.93 C ATOM 753 C PRO A 50 1.113 -11.789 -7.791 1.00 1.18 C ATOM 754 O PRO A 50 2.290 -11.493 -7.994 1.00 1.96 O ATOM 755 CB PRO A 50 1.025 -12.589 -5.387 1.00 1.04 C ATOM 756 CG PRO A 50 -0.071 -13.652 -5.411 1.00 1.11 C ATOM 757 CD PRO A 50 -1.340 -12.831 -5.631 1.00 0.92 C ATOM 0 HA PRO A 50 0.853 -10.542 -6.147 1.00 0.93 H new ATOM 0 HB2 PRO A 50 1.992 -13.000 -5.677 1.00 1.04 H new ATOM 0 HB3 PRO A 50 1.147 -12.158 -4.393 1.00 1.04 H new ATOM 0 HG2 PRO A 50 0.086 -14.375 -6.211 1.00 1.11 H new ATOM 0 HG3 PRO A 50 -0.110 -14.213 -4.477 1.00 1.11 H new ATOM 0 HD2 PRO A 50 -2.076 -13.395 -6.204 1.00 0.92 H new ATOM 0 HD3 PRO A 50 -1.807 -12.571 -4.681 1.00 0.92 H new ATOM 765 N GLU A 51 0.340 -12.328 -8.741 1.00 0.86 N ATOM 766 CA GLU A 51 0.789 -12.524 -10.108 1.00 1.04 C ATOM 767 C GLU A 51 0.568 -11.220 -10.874 1.00 1.01 C ATOM 768 O GLU A 51 1.464 -10.736 -11.563 1.00 1.56 O ATOM 769 CB GLU A 51 0.028 -13.710 -10.721 1.00 1.24 C ATOM 770 CG GLU A 51 0.603 -14.102 -12.087 1.00 3.04 C ATOM 771 CD GLU A 51 -0.072 -15.348 -12.648 1.00 3.32 C ATOM 772 OE1 GLU A 51 0.126 -16.420 -12.037 1.00 3.38 O ATOM 773 OE2 GLU A 51 -0.761 -15.207 -13.680 1.00 4.11 O ATOM 0 H GLU A 51 -0.617 -12.639 -8.574 1.00 0.86 H new ATOM 0 HA GLU A 51 1.851 -12.766 -10.154 1.00 1.04 H new ATOM 0 HB2 GLU A 51 0.078 -14.564 -10.045 1.00 1.24 H new ATOM 0 HB3 GLU A 51 -1.025 -13.451 -10.829 1.00 1.24 H new ATOM 0 HG2 GLU A 51 0.477 -13.275 -12.785 1.00 3.04 H new ATOM 0 HG3 GLU A 51 1.674 -14.280 -11.993 1.00 3.04 H new ATOM 780 N ILE A 52 -0.627 -10.635 -10.741 1.00 0.76 N ATOM 781 CA ILE A 52 -0.976 -9.406 -11.446 1.00 0.90 C ATOM 782 C ILE A 52 -0.130 -8.240 -10.942 1.00 0.87 C ATOM 783 O ILE A 52 0.237 -7.374 -11.738 1.00 1.13 O ATOM 784 CB ILE A 52 -2.485 -9.111 -11.360 1.00 1.01 C ATOM 785 CG1 ILE A 52 -3.272 -10.295 -11.942 1.00 1.86 C ATOM 786 CG2 ILE A 52 -2.833 -7.839 -12.157 1.00 2.03 C ATOM 787 CD1 ILE A 52 -4.789 -10.174 -11.767 1.00 3.14 C ATOM 0 H ILE A 52 -1.371 -10.999 -10.146 1.00 0.76 H new ATOM 0 HA ILE A 52 -0.749 -9.544 -12.503 1.00 0.90 H new ATOM 0 HB ILE A 52 -2.751 -8.961 -10.314 1.00 1.01 H new ATOM 0 HG12 ILE A 52 -3.044 -10.384 -13.004 1.00 1.86 H new ATOM 0 HG13 ILE A 52 -2.933 -11.215 -11.465 1.00 1.86 H new ATOM 0 HG21 ILE A 52 -3.903 -7.646 -12.085 1.00 2.03 H new ATOM 0 HG22 ILE A 52 -2.283 -6.991 -11.748 1.00 2.03 H new ATOM 0 HG23 ILE A 52 -2.559 -7.979 -13.203 1.00 2.03 H new ATOM 0 HD11 ILE A 52 -5.276 -11.046 -12.203 1.00 3.14 H new ATOM 0 HD12 ILE A 52 -5.029 -10.116 -10.705 1.00 3.14 H new ATOM 0 HD13 ILE A 52 -5.142 -9.273 -12.268 1.00 3.14 H new ATOM 799 N ILE A 53 0.172 -8.185 -9.640 1.00 0.68 N ATOM 800 CA ILE A 53 1.034 -7.151 -9.104 1.00 0.70 C ATOM 801 C ILE A 53 1.886 -7.749 -7.988 1.00 0.76 C ATOM 802 O ILE A 53 1.361 -8.332 -7.044 1.00 1.18 O ATOM 803 CB ILE A 53 0.194 -5.930 -8.679 1.00 0.83 C ATOM 804 CG1 ILE A 53 1.145 -4.747 -8.498 1.00 1.31 C ATOM 805 CG2 ILE A 53 -0.632 -6.164 -7.412 1.00 1.08 C ATOM 806 CD1 ILE A 53 0.420 -3.407 -8.415 1.00 1.09 C ATOM 0 H ILE A 53 -0.173 -8.849 -8.946 1.00 0.68 H new ATOM 0 HA ILE A 53 1.725 -6.779 -9.861 1.00 0.70 H new ATOM 0 HB ILE A 53 -0.538 -5.731 -9.462 1.00 0.83 H new ATOM 0 HG12 ILE A 53 1.730 -4.894 -7.590 1.00 1.31 H new ATOM 0 HG13 ILE A 53 1.848 -4.722 -9.330 1.00 1.31 H new ATOM 0 HG21 ILE A 53 -1.197 -5.262 -7.174 1.00 1.08 H new ATOM 0 HG22 ILE A 53 -1.322 -6.992 -7.575 1.00 1.08 H new ATOM 0 HG23 ILE A 53 0.034 -6.405 -6.583 1.00 1.08 H new ATOM 0 HD11 ILE A 53 1.149 -2.606 -8.287 1.00 1.09 H new ATOM 0 HD12 ILE A 53 -0.144 -3.241 -9.333 1.00 1.09 H new ATOM 0 HD13 ILE A 53 -0.263 -3.415 -7.566 1.00 1.09 H new ATOM 818 N GLY A 54 3.208 -7.640 -8.090 1.00 0.84 N ATOM 819 CA GLY A 54 4.092 -8.167 -7.072 1.00 0.87 C ATOM 820 C GLY A 54 3.996 -7.326 -5.797 1.00 0.72 C ATOM 821 O GLY A 54 3.710 -6.126 -5.856 1.00 0.74 O ATOM 0 H GLY A 54 3.685 -7.190 -8.871 1.00 0.84 H new ATOM 0 HA2 GLY A 54 3.830 -9.202 -6.853 1.00 0.87 H new ATOM 0 HA3 GLY A 54 5.119 -8.169 -7.438 1.00 0.87 H new ATOM 825 N PRO A 55 4.299 -7.910 -4.628 1.00 0.76 N ATOM 826 CA PRO A 55 4.355 -7.159 -3.386 1.00 0.80 C ATOM 827 C PRO A 55 5.372 -6.021 -3.511 1.00 0.69 C ATOM 828 O PRO A 55 5.121 -4.891 -3.090 1.00 0.75 O ATOM 829 CB PRO A 55 4.735 -8.178 -2.306 1.00 1.01 C ATOM 830 CG PRO A 55 5.454 -9.288 -3.074 1.00 1.01 C ATOM 831 CD PRO A 55 4.769 -9.274 -4.442 1.00 0.91 C ATOM 0 HA PRO A 55 3.407 -6.683 -3.134 1.00 0.80 H new ATOM 0 HB2 PRO A 55 5.382 -7.734 -1.549 1.00 1.01 H new ATOM 0 HB3 PRO A 55 3.854 -8.558 -1.789 1.00 1.01 H new ATOM 0 HG2 PRO A 55 6.523 -9.091 -3.158 1.00 1.01 H new ATOM 0 HG3 PRO A 55 5.345 -10.254 -2.580 1.00 1.01 H new ATOM 0 HD2 PRO A 55 5.464 -9.561 -5.232 1.00 0.91 H new ATOM 0 HD3 PRO A 55 3.941 -9.982 -4.473 1.00 0.91 H new ATOM 839 N ARG A 56 6.514 -6.311 -4.139 1.00 0.65 N ATOM 840 CA ARG A 56 7.517 -5.298 -4.392 1.00 0.69 C ATOM 841 C ARG A 56 6.992 -4.190 -5.318 1.00 0.62 C ATOM 842 O ARG A 56 7.435 -3.053 -5.193 1.00 0.66 O ATOM 843 CB ARG A 56 8.832 -5.923 -4.880 1.00 0.92 C ATOM 844 CG ARG A 56 9.846 -4.790 -5.061 1.00 1.73 C ATOM 845 CD ARG A 56 11.315 -5.207 -5.104 1.00 2.50 C ATOM 846 NE ARG A 56 12.091 -3.992 -5.370 1.00 3.52 N ATOM 847 CZ ARG A 56 13.413 -3.812 -5.385 1.00 4.77 C ATOM 848 NH1 ARG A 56 14.240 -4.799 -5.028 1.00 5.48 N ATOM 849 NH2 ARG A 56 13.869 -2.617 -5.774 1.00 5.78 N ATOM 0 H ARG A 56 6.758 -7.241 -4.478 1.00 0.65 H new ATOM 0 HA ARG A 56 7.743 -4.808 -3.445 1.00 0.69 H new ATOM 0 HB2 ARG A 56 9.199 -6.653 -4.159 1.00 0.92 H new ATOM 0 HB3 ARG A 56 8.678 -6.453 -5.820 1.00 0.92 H new ATOM 0 HG2 ARG A 56 9.611 -4.263 -5.986 1.00 1.73 H new ATOM 0 HG3 ARG A 56 9.715 -4.078 -4.246 1.00 1.73 H new ATOM 0 HD2 ARG A 56 11.616 -5.659 -4.159 1.00 2.50 H new ATOM 0 HD3 ARG A 56 11.483 -5.952 -5.882 1.00 2.50 H new ATOM 0 HE ARG A 56 11.538 -3.160 -5.574 1.00 3.52 H new ATOM 0 HH11 ARG A 56 13.862 -5.702 -4.740 1.00 5.48 H new ATOM 0 HH12 ARG A 56 15.249 -4.650 -5.043 1.00 5.48 H new ATOM 0 HH21 ARG A 56 13.213 -1.884 -6.045 1.00 5.78 H new ATOM 0 HH22 ARG A 56 14.873 -2.438 -5.800 1.00 5.78 H new ATOM 863 N ASP A 57 6.064 -4.481 -6.233 1.00 0.58 N ATOM 864 CA ASP A 57 5.527 -3.466 -7.134 1.00 0.57 C ATOM 865 C ASP A 57 4.651 -2.501 -6.338 1.00 0.51 C ATOM 866 O ASP A 57 4.756 -1.281 -6.481 1.00 0.52 O ATOM 867 CB ASP A 57 4.725 -4.104 -8.274 1.00 0.66 C ATOM 868 CG ASP A 57 5.527 -5.085 -9.113 1.00 1.25 C ATOM 869 OD1 ASP A 57 6.721 -4.799 -9.347 1.00 2.26 O ATOM 870 OD2 ASP A 57 4.919 -6.112 -9.489 1.00 1.96 O ATOM 0 H ASP A 57 5.671 -5.412 -6.367 1.00 0.58 H new ATOM 0 HA ASP A 57 6.357 -2.920 -7.583 1.00 0.57 H new ATOM 0 HB2 ASP A 57 3.862 -4.620 -7.854 1.00 0.66 H new ATOM 0 HB3 ASP A 57 4.341 -3.316 -8.921 1.00 0.66 H new ATOM 875 N ILE A 58 3.795 -3.045 -5.468 1.00 0.53 N ATOM 876 CA ILE A 58 3.039 -2.241 -4.513 1.00 0.56 C ATOM 877 C ILE A 58 4.005 -1.346 -3.735 1.00 0.54 C ATOM 878 O ILE A 58 3.859 -0.122 -3.742 1.00 0.53 O ATOM 879 CB ILE A 58 2.209 -3.153 -3.592 1.00 0.64 C ATOM 880 CG1 ILE A 58 1.011 -3.709 -4.375 1.00 0.62 C ATOM 881 CG2 ILE A 58 1.707 -2.420 -2.337 1.00 0.77 C ATOM 882 CD1 ILE A 58 0.603 -5.075 -3.826 1.00 0.73 C ATOM 0 H ILE A 58 3.610 -4.046 -5.408 1.00 0.53 H new ATOM 0 HA ILE A 58 2.333 -1.596 -5.036 1.00 0.56 H new ATOM 0 HB ILE A 58 2.858 -3.962 -3.258 1.00 0.64 H new ATOM 0 HG12 ILE A 58 0.171 -3.017 -4.307 1.00 0.62 H new ATOM 0 HG13 ILE A 58 1.267 -3.796 -5.431 1.00 0.62 H new ATOM 0 HG21 ILE A 58 1.127 -3.108 -1.721 1.00 0.77 H new ATOM 0 HG22 ILE A 58 2.559 -2.052 -1.766 1.00 0.77 H new ATOM 0 HG23 ILE A 58 1.078 -1.580 -2.633 1.00 0.77 H new ATOM 0 HD11 ILE A 58 -0.247 -5.455 -4.392 1.00 0.73 H new ATOM 0 HD12 ILE A 58 1.439 -5.768 -3.918 1.00 0.73 H new ATOM 0 HD13 ILE A 58 0.326 -4.977 -2.776 1.00 0.73 H new ATOM 894 N ILE A 59 5.008 -1.948 -3.090 1.00 0.56 N ATOM 895 CA ILE A 59 6.001 -1.209 -2.325 1.00 0.60 C ATOM 896 C ILE A 59 6.618 -0.091 -3.177 1.00 0.58 C ATOM 897 O ILE A 59 6.557 1.071 -2.783 1.00 0.64 O ATOM 898 CB ILE A 59 7.017 -2.202 -1.744 1.00 0.66 C ATOM 899 CG1 ILE A 59 6.351 -2.972 -0.589 1.00 0.75 C ATOM 900 CG2 ILE A 59 8.285 -1.494 -1.262 1.00 0.70 C ATOM 901 CD1 ILE A 59 7.053 -4.298 -0.296 1.00 1.21 C ATOM 0 H ILE A 59 5.149 -2.958 -3.087 1.00 0.56 H new ATOM 0 HA ILE A 59 5.542 -0.696 -1.480 1.00 0.60 H new ATOM 0 HB ILE A 59 7.320 -2.897 -2.527 1.00 0.66 H new ATOM 0 HG12 ILE A 59 6.358 -2.354 0.309 1.00 0.75 H new ATOM 0 HG13 ILE A 59 5.307 -3.163 -0.837 1.00 0.75 H new ATOM 0 HG21 ILE A 59 8.981 -2.229 -0.857 1.00 0.70 H new ATOM 0 HG22 ILE A 59 8.752 -0.975 -2.099 1.00 0.70 H new ATOM 0 HG23 ILE A 59 8.027 -0.773 -0.486 1.00 0.70 H new ATOM 0 HD11 ILE A 59 6.547 -4.804 0.526 1.00 1.21 H new ATOM 0 HD12 ILE A 59 7.023 -4.929 -1.184 1.00 1.21 H new ATOM 0 HD13 ILE A 59 8.090 -4.107 -0.021 1.00 1.21 H new ATOM 913 N HIS A 60 7.138 -0.416 -4.365 1.00 0.57 N ATOM 914 CA HIS A 60 7.659 0.572 -5.301 1.00 0.62 C ATOM 915 C HIS A 60 6.646 1.693 -5.532 1.00 0.59 C ATOM 916 O HIS A 60 7.028 2.859 -5.575 1.00 0.67 O ATOM 917 CB HIS A 60 8.001 -0.059 -6.660 1.00 0.72 C ATOM 918 CG HIS A 60 9.210 -0.956 -6.726 1.00 1.38 C ATOM 919 ND1 HIS A 60 9.420 -1.891 -7.715 1.00 2.38 N ATOM 920 CD2 HIS A 60 10.392 -0.802 -6.048 1.00 2.18 C ATOM 921 CE1 HIS A 60 10.702 -2.282 -7.640 1.00 3.13 C ATOM 922 NE2 HIS A 60 11.338 -1.666 -6.623 1.00 3.09 N ATOM 0 H HIS A 60 7.207 -1.377 -4.701 1.00 0.57 H new ATOM 0 HA HIS A 60 8.567 0.976 -4.854 1.00 0.62 H new ATOM 0 HB2 HIS A 60 7.137 -0.635 -6.991 1.00 0.72 H new ATOM 0 HB3 HIS A 60 8.141 0.748 -7.380 1.00 0.72 H new ATOM 0 HD1 HIS A 60 8.727 -2.226 -8.384 1.00 2.38 H new ATOM 0 HD2 HIS A 60 10.565 -0.134 -5.218 1.00 2.18 H new ATOM 0 HE1 HIS A 60 11.163 -2.996 -8.306 1.00 3.13 H new ATOM 930 N THR A 61 5.364 1.362 -5.707 1.00 0.54 N ATOM 931 CA THR A 61 4.357 2.382 -5.977 1.00 0.56 C ATOM 932 C THR A 61 4.269 3.343 -4.788 1.00 0.59 C ATOM 933 O THR A 61 4.324 4.561 -4.963 1.00 0.68 O ATOM 934 CB THR A 61 3.003 1.740 -6.315 1.00 0.60 C ATOM 935 OG1 THR A 61 3.167 0.826 -7.384 1.00 0.78 O ATOM 936 CG2 THR A 61 1.990 2.806 -6.742 1.00 0.74 C ATOM 0 H THR A 61 5.006 0.408 -5.667 1.00 0.54 H new ATOM 0 HA THR A 61 4.651 2.960 -6.853 1.00 0.56 H new ATOM 0 HB THR A 61 2.636 1.228 -5.426 1.00 0.60 H new ATOM 0 HG1 THR A 61 3.671 0.045 -7.072 1.00 0.78 H new ATOM 0 HG21 THR A 61 1.038 2.330 -6.977 1.00 0.74 H new ATOM 0 HG22 THR A 61 1.848 3.519 -5.930 1.00 0.74 H new ATOM 0 HG23 THR A 61 2.362 3.329 -7.623 1.00 0.74 H new ATOM 944 N ILE A 62 4.152 2.789 -3.578 1.00 0.58 N ATOM 945 CA ILE A 62 4.136 3.564 -2.343 1.00 0.65 C ATOM 946 C ILE A 62 5.370 4.470 -2.278 1.00 0.69 C ATOM 947 O ILE A 62 5.243 5.682 -2.102 1.00 0.76 O ATOM 948 CB ILE A 62 4.013 2.603 -1.140 1.00 0.64 C ATOM 949 CG1 ILE A 62 2.540 2.353 -0.773 1.00 0.67 C ATOM 950 CG2 ILE A 62 4.707 3.116 0.129 1.00 0.68 C ATOM 951 CD1 ILE A 62 1.708 1.764 -1.909 1.00 1.75 C ATOM 0 H ILE A 62 4.065 1.783 -3.431 1.00 0.58 H new ATOM 0 HA ILE A 62 3.270 4.225 -2.313 1.00 0.65 H new ATOM 0 HB ILE A 62 4.504 1.688 -1.470 1.00 0.64 H new ATOM 0 HG12 ILE A 62 2.499 1.678 0.082 1.00 0.67 H new ATOM 0 HG13 ILE A 62 2.090 3.294 -0.457 1.00 0.67 H new ATOM 0 HG21 ILE A 62 4.579 2.390 0.932 1.00 0.68 H new ATOM 0 HG22 ILE A 62 5.770 3.255 -0.069 1.00 0.68 H new ATOM 0 HG23 ILE A 62 4.265 4.067 0.426 1.00 0.68 H new ATOM 0 HD11 ILE A 62 0.682 1.617 -1.571 1.00 1.75 H new ATOM 0 HD12 ILE A 62 1.716 2.448 -2.758 1.00 1.75 H new ATOM 0 HD13 ILE A 62 2.131 0.806 -2.211 1.00 1.75 H new ATOM 963 N GLU A 63 6.559 3.882 -2.417 1.00 0.69 N ATOM 964 CA GLU A 63 7.821 4.592 -2.303 1.00 0.84 C ATOM 965 C GLU A 63 7.891 5.732 -3.322 1.00 0.78 C ATOM 966 O GLU A 63 8.185 6.875 -2.977 1.00 0.87 O ATOM 967 CB GLU A 63 8.971 3.595 -2.488 1.00 0.95 C ATOM 968 CG GLU A 63 9.047 2.607 -1.312 1.00 1.35 C ATOM 969 CD GLU A 63 10.006 1.449 -1.566 1.00 1.41 C ATOM 970 OE1 GLU A 63 10.308 1.186 -2.752 1.00 1.56 O ATOM 971 OE2 GLU A 63 10.401 0.825 -0.558 1.00 2.59 O ATOM 0 H GLU A 63 6.667 2.887 -2.614 1.00 0.69 H new ATOM 0 HA GLU A 63 7.905 5.043 -1.314 1.00 0.84 H new ATOM 0 HB2 GLU A 63 8.833 3.046 -3.419 1.00 0.95 H new ATOM 0 HB3 GLU A 63 9.914 4.135 -2.574 1.00 0.95 H new ATOM 0 HG2 GLU A 63 9.361 3.142 -0.416 1.00 1.35 H new ATOM 0 HG3 GLU A 63 8.051 2.210 -1.114 1.00 1.35 H new ATOM 978 N SER A 64 7.604 5.397 -4.581 1.00 0.70 N ATOM 979 CA SER A 64 7.750 6.265 -5.739 1.00 0.71 C ATOM 980 C SER A 64 6.995 7.583 -5.572 1.00 0.63 C ATOM 981 O SER A 64 7.448 8.601 -6.090 1.00 0.81 O ATOM 982 CB SER A 64 7.299 5.512 -6.999 1.00 0.74 C ATOM 983 OG SER A 64 7.418 6.309 -8.162 1.00 1.16 O ATOM 0 H SER A 64 7.249 4.473 -4.826 1.00 0.70 H new ATOM 0 HA SER A 64 8.802 6.531 -5.840 1.00 0.71 H new ATOM 0 HB2 SER A 64 7.898 4.609 -7.115 1.00 0.74 H new ATOM 0 HB3 SER A 64 6.263 5.195 -6.881 1.00 0.74 H new ATOM 0 HG SER A 64 7.123 5.795 -8.942 1.00 1.16 H new ATOM 989 N LEU A 65 5.852 7.569 -4.880 1.00 0.52 N ATOM 990 CA LEU A 65 5.082 8.779 -4.641 1.00 0.51 C ATOM 991 C LEU A 65 5.886 9.772 -3.789 1.00 0.61 C ATOM 992 O LEU A 65 6.452 10.719 -4.328 1.00 0.90 O ATOM 993 CB LEU A 65 3.727 8.418 -4.017 1.00 0.59 C ATOM 994 CG LEU A 65 2.764 7.727 -4.999 1.00 0.68 C ATOM 995 CD1 LEU A 65 1.626 7.061 -4.219 1.00 2.07 C ATOM 996 CD2 LEU A 65 2.173 8.708 -6.018 1.00 1.50 C ATOM 0 H LEU A 65 5.444 6.726 -4.477 1.00 0.52 H new ATOM 0 HA LEU A 65 4.880 9.279 -5.588 1.00 0.51 H new ATOM 0 HB2 LEU A 65 3.893 7.763 -3.162 1.00 0.59 H new ATOM 0 HB3 LEU A 65 3.257 9.325 -3.638 1.00 0.59 H new ATOM 0 HG LEU A 65 3.337 6.981 -5.549 1.00 0.68 H new ATOM 0 HD11 LEU A 65 0.945 6.572 -4.916 1.00 2.07 H new ATOM 0 HD12 LEU A 65 2.039 6.320 -3.535 1.00 2.07 H new ATOM 0 HD13 LEU A 65 1.083 7.817 -3.651 1.00 2.07 H new ATOM 0 HD21 LEU A 65 1.500 8.174 -6.689 1.00 1.50 H new ATOM 0 HD22 LEU A 65 1.620 9.488 -5.494 1.00 1.50 H new ATOM 0 HD23 LEU A 65 2.978 9.161 -6.596 1.00 1.50 H new ATOM 1008 N GLY A 66 5.894 9.625 -2.459 1.00 0.62 N ATOM 1009 CA GLY A 66 6.753 10.449 -1.615 1.00 0.72 C ATOM 1010 C GLY A 66 6.992 9.836 -0.239 1.00 0.71 C ATOM 1011 O GLY A 66 7.058 10.574 0.743 1.00 0.95 O ATOM 0 H GLY A 66 5.321 8.950 -1.953 1.00 0.62 H new ATOM 0 HA2 GLY A 66 7.711 10.596 -2.114 1.00 0.72 H new ATOM 0 HA3 GLY A 66 6.301 11.434 -1.496 1.00 0.72 H new ATOM 1015 N PHE A 67 7.044 8.505 -0.140 1.00 0.61 N ATOM 1016 CA PHE A 67 6.834 7.797 1.123 1.00 0.52 C ATOM 1017 C PHE A 67 7.889 6.708 1.302 1.00 0.64 C ATOM 1018 O PHE A 67 8.705 6.497 0.409 1.00 1.01 O ATOM 1019 CB PHE A 67 5.406 7.221 1.131 1.00 0.48 C ATOM 1020 CG PHE A 67 4.333 8.237 0.768 1.00 0.46 C ATOM 1021 CD1 PHE A 67 4.317 9.483 1.420 1.00 1.64 C ATOM 1022 CD2 PHE A 67 3.500 8.033 -0.349 1.00 1.49 C ATOM 1023 CE1 PHE A 67 3.578 10.552 0.891 1.00 1.63 C ATOM 1024 CE2 PHE A 67 2.693 9.081 -0.828 1.00 1.54 C ATOM 1025 CZ PHE A 67 2.767 10.352 -0.238 1.00 0.58 C ATOM 0 H PHE A 67 7.232 7.890 -0.932 1.00 0.61 H new ATOM 0 HA PHE A 67 6.939 8.482 1.964 1.00 0.52 H new ATOM 0 HB2 PHE A 67 5.356 6.388 0.430 1.00 0.48 H new ATOM 0 HB3 PHE A 67 5.192 6.818 2.121 1.00 0.48 H new ATOM 0 HD1 PHE A 67 4.877 9.618 2.334 1.00 1.64 H new ATOM 0 HD2 PHE A 67 3.481 7.071 -0.839 1.00 1.49 H new ATOM 0 HE1 PHE A 67 3.633 11.527 1.351 1.00 1.63 H new ATOM 0 HE2 PHE A 67 2.016 8.907 -1.651 1.00 1.54 H new ATOM 0 HZ PHE A 67 2.202 11.174 -0.651 1.00 0.58 H new ATOM 1035 N GLU A 68 7.882 6.022 2.449 1.00 0.48 N ATOM 1036 CA GLU A 68 8.714 4.860 2.697 1.00 0.59 C ATOM 1037 C GLU A 68 7.809 3.754 3.242 1.00 0.61 C ATOM 1038 O GLU A 68 6.945 4.024 4.079 1.00 0.94 O ATOM 1039 CB GLU A 68 9.820 5.237 3.689 1.00 0.88 C ATOM 1040 CG GLU A 68 10.944 4.200 3.641 1.00 2.17 C ATOM 1041 CD GLU A 68 11.932 4.362 4.784 1.00 2.71 C ATOM 1042 OE1 GLU A 68 12.098 5.499 5.274 1.00 2.75 O ATOM 1043 OE2 GLU A 68 12.394 3.325 5.305 1.00 3.78 O ATOM 0 H GLU A 68 7.285 6.269 3.238 1.00 0.48 H new ATOM 0 HA GLU A 68 9.199 4.506 1.787 1.00 0.59 H new ATOM 0 HB2 GLU A 68 10.215 6.224 3.448 1.00 0.88 H new ATOM 0 HB3 GLU A 68 9.411 5.295 4.698 1.00 0.88 H new ATOM 0 HG2 GLU A 68 10.513 3.199 3.676 1.00 2.17 H new ATOM 0 HG3 GLU A 68 11.473 4.286 2.692 1.00 2.17 H new ATOM 1050 N ALA A 69 7.982 2.521 2.762 1.00 0.61 N ATOM 1051 CA ALA A 69 7.237 1.362 3.233 1.00 0.60 C ATOM 1052 C ALA A 69 8.068 0.596 4.259 1.00 0.77 C ATOM 1053 O ALA A 69 9.295 0.680 4.267 1.00 1.11 O ATOM 1054 CB ALA A 69 6.920 0.453 2.043 1.00 0.96 C ATOM 0 H ALA A 69 8.653 2.301 2.026 1.00 0.61 H new ATOM 0 HA ALA A 69 6.309 1.690 3.702 1.00 0.60 H new ATOM 0 HB1 ALA A 69 6.362 -0.417 2.388 1.00 0.96 H new ATOM 0 HB2 ALA A 69 6.322 1.002 1.315 1.00 0.96 H new ATOM 0 HB3 ALA A 69 7.850 0.126 1.577 1.00 0.96 H new ATOM 1060 N SER A 70 7.417 -0.182 5.124 1.00 0.75 N ATOM 1061 CA SER A 70 8.087 -1.122 6.009 1.00 1.05 C ATOM 1062 C SER A 70 7.132 -2.279 6.298 1.00 0.95 C ATOM 1063 O SER A 70 6.096 -2.071 6.923 1.00 0.94 O ATOM 1064 CB SER A 70 8.524 -0.414 7.300 1.00 1.32 C ATOM 1065 OG SER A 70 9.335 0.713 7.005 1.00 2.29 O ATOM 0 H SER A 70 6.402 -0.174 5.227 1.00 0.75 H new ATOM 0 HA SER A 70 8.987 -1.515 5.536 1.00 1.05 H new ATOM 0 HB2 SER A 70 7.645 -0.099 7.863 1.00 1.32 H new ATOM 0 HB3 SER A 70 9.075 -1.109 7.933 1.00 1.32 H new ATOM 0 HG SER A 70 10.280 0.466 7.085 1.00 2.29 H new ATOM 1071 N LEU A 71 7.456 -3.494 5.845 1.00 1.05 N ATOM 1072 CA LEU A 71 6.649 -4.690 6.051 1.00 1.01 C ATOM 1073 C LEU A 71 6.726 -5.156 7.511 1.00 1.01 C ATOM 1074 O LEU A 71 7.230 -6.234 7.817 1.00 1.58 O ATOM 1075 CB LEU A 71 7.097 -5.763 5.039 1.00 1.30 C ATOM 1076 CG LEU A 71 5.913 -6.564 4.488 1.00 1.74 C ATOM 1077 CD1 LEU A 71 6.409 -7.589 3.461 1.00 2.24 C ATOM 1078 CD2 LEU A 71 5.112 -7.279 5.583 1.00 3.42 C ATOM 0 H LEU A 71 8.308 -3.672 5.313 1.00 1.05 H new ATOM 0 HA LEU A 71 5.595 -4.479 5.870 1.00 1.01 H new ATOM 0 HB2 LEU A 71 7.626 -5.285 4.215 1.00 1.30 H new ATOM 0 HB3 LEU A 71 7.802 -6.442 5.519 1.00 1.30 H new ATOM 0 HG LEU A 71 5.241 -5.848 4.015 1.00 1.74 H new ATOM 0 HD11 LEU A 71 5.562 -8.155 3.073 1.00 2.24 H new ATOM 0 HD12 LEU A 71 6.905 -7.071 2.640 1.00 2.24 H new ATOM 0 HD13 LEU A 71 7.113 -8.271 3.938 1.00 2.24 H new ATOM 0 HD21 LEU A 71 4.287 -7.829 5.130 1.00 3.42 H new ATOM 0 HD22 LEU A 71 5.762 -7.973 6.115 1.00 3.42 H new ATOM 0 HD23 LEU A 71 4.716 -6.543 6.283 1.00 3.42 H new