USER MOD reduce.3.24.130724 H: found=0, std=0, add=688, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 688 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 42 GLN : amide:sc= -0.0861 K(o=0.64,f=-6.8!) USER MOD Set 1.2: A 47 SER OG : rot -170:sc= 0.731 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= -0.0949 K(o=-0.095,f=-1.8!) USER MOD Single : A 6 GLN : amide:sc= -0.441 K(o=-0.44,f=0.19) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 41:sc= 0.845 USER MOD Single : A 20 THR OG1 : rot 180:sc= -2.47! USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.268) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= 0.298 X(o=0.3,f=-0.028) USER MOD Single : A 37 SER OG : rot -91:sc= 0.0354 USER MOD Single : A 39 CYS SG : rot 139:sc= -4.54! USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 35:sc= 0.146 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.0736 USER MOD Single : A 52 SER OG : rot 135:sc= 1.26 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 177:sc= 1.13 (180deg=1.05) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -0.262 K(o=-0.26,f=-5.6!) USER MOD Single : A 70 TYR OH : rot 180:sc= -0.147 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 THR OG1 : rot -179:sc= -2.69! USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 19.335 8.809 2.391 1.00 5.02 N ATOM 2 CA MET A 1 18.291 9.764 1.937 1.00 4.66 C ATOM 3 C MET A 1 17.566 10.390 3.124 1.00 4.42 C ATOM 4 O MET A 1 17.721 11.579 3.403 1.00 4.63 O ATOM 5 CB MET A 1 17.295 9.014 1.049 1.00 4.39 C ATOM 6 CG MET A 1 17.657 9.035 -0.427 1.00 4.63 C ATOM 7 SD MET A 1 17.618 10.696 -1.129 1.00 5.44 S ATOM 8 CE MET A 1 16.361 10.503 -2.390 1.00 5.68 C ATOM 0 H1 MET A 1 19.813 8.398 1.564 1.00 5.02 H new ATOM 0 H2 MET A 1 20.031 9.310 2.979 1.00 5.02 H new ATOM 0 H3 MET A 1 18.893 8.050 2.948 1.00 5.02 H new ATOM 0 HA MET A 1 18.763 10.570 1.375 1.00 4.66 H new ATOM 0 HB2 MET A 1 17.231 7.979 1.384 1.00 4.39 H new ATOM 0 HB3 MET A 1 16.305 9.452 1.178 1.00 4.39 H new ATOM 0 HG2 MET A 1 18.653 8.613 -0.559 1.00 4.63 H new ATOM 0 HG3 MET A 1 16.965 8.397 -0.976 1.00 4.63 H new ATOM 0 HE1 MET A 1 16.223 11.449 -2.914 1.00 5.68 H new ATOM 0 HE2 MET A 1 16.673 9.737 -3.100 1.00 5.68 H new ATOM 0 HE3 MET A 1 15.421 10.205 -1.925 1.00 5.68 H new ATOM 20 N GLY A 2 16.773 9.580 3.818 1.00 4.11 N ATOM 21 CA GLY A 2 16.034 10.071 4.967 1.00 4.01 C ATOM 22 C GLY A 2 14.565 10.307 4.662 1.00 3.33 C ATOM 23 O GLY A 2 13.864 10.958 5.436 1.00 3.34 O ATOM 0 H GLY A 2 16.629 8.593 3.606 1.00 4.11 H new ATOM 0 HA2 GLY A 2 16.121 9.354 5.783 1.00 4.01 H new ATOM 0 HA3 GLY A 2 16.483 11.002 5.312 1.00 4.01 H new ATOM 27 N GLN A 3 14.098 9.778 3.533 1.00 2.87 N ATOM 28 CA GLN A 3 12.705 9.937 3.133 1.00 2.29 C ATOM 29 C GLN A 3 12.073 8.588 2.807 1.00 1.97 C ATOM 30 O GLN A 3 12.765 7.643 2.428 1.00 2.17 O ATOM 31 CB GLN A 3 12.599 10.867 1.922 1.00 2.41 C ATOM 32 CG GLN A 3 13.266 12.217 2.130 1.00 3.17 C ATOM 33 CD GLN A 3 12.352 13.224 2.801 1.00 3.60 C ATOM 34 OE1 GLN A 3 11.186 12.938 3.072 1.00 3.44 O ATOM 35 NE2 GLN A 3 12.880 14.413 3.073 1.00 4.47 N ATOM 0 H GLN A 3 14.665 9.236 2.881 1.00 2.87 H new ATOM 0 HA GLN A 3 12.165 10.379 3.970 1.00 2.29 H new ATOM 0 HB2 GLN A 3 13.050 10.378 1.058 1.00 2.41 H new ATOM 0 HB3 GLN A 3 11.546 11.024 1.686 1.00 2.41 H new ATOM 0 HG2 GLN A 3 14.162 12.085 2.736 1.00 3.17 H new ATOM 0 HG3 GLN A 3 13.588 12.611 1.166 1.00 3.17 H new ATOM 0 HE21 GLN A 3 13.852 14.607 2.831 1.00 4.47 H new ATOM 0 HE22 GLN A 3 12.314 15.131 3.524 1.00 4.47 H new ATOM 44 N VAL A 4 10.757 8.506 2.961 1.00 1.57 N ATOM 45 CA VAL A 4 10.030 7.274 2.686 1.00 1.29 C ATOM 46 C VAL A 4 8.764 7.545 1.880 1.00 1.28 C ATOM 47 O VAL A 4 8.119 8.581 2.041 1.00 1.44 O ATOM 48 CB VAL A 4 9.646 6.531 3.983 1.00 1.17 C ATOM 49 CG1 VAL A 4 10.881 5.986 4.680 1.00 1.39 C ATOM 50 CG2 VAL A 4 8.859 7.442 4.912 1.00 1.57 C ATOM 0 H VAL A 4 10.171 9.280 3.275 1.00 1.57 H new ATOM 0 HA VAL A 4 10.704 6.644 2.104 1.00 1.29 H new ATOM 0 HB VAL A 4 9.010 5.687 3.715 1.00 1.17 H new ATOM 0 HG11 VAL A 4 10.585 5.467 5.591 1.00 1.39 H new ATOM 0 HG12 VAL A 4 11.396 5.291 4.017 1.00 1.39 H new ATOM 0 HG13 VAL A 4 11.549 6.809 4.932 1.00 1.39 H new ATOM 0 HG21 VAL A 4 8.598 6.898 5.820 1.00 1.57 H new ATOM 0 HG22 VAL A 4 9.466 8.310 5.170 1.00 1.57 H new ATOM 0 HG23 VAL A 4 7.948 7.772 4.413 1.00 1.57 H new ATOM 60 N VAL A 5 8.411 6.594 1.023 1.00 1.14 N ATOM 61 CA VAL A 5 7.219 6.699 0.196 1.00 1.22 C ATOM 62 C VAL A 5 6.069 5.948 0.857 1.00 1.03 C ATOM 63 O VAL A 5 6.221 4.798 1.267 1.00 0.92 O ATOM 64 CB VAL A 5 7.457 6.116 -1.213 1.00 1.29 C ATOM 65 CG1 VAL A 5 8.645 6.797 -1.877 1.00 1.79 C ATOM 66 CG2 VAL A 5 7.669 4.605 -1.148 1.00 1.70 C ATOM 0 H VAL A 5 8.941 5.734 0.884 1.00 1.14 H new ATOM 0 HA VAL A 5 6.973 7.756 0.096 1.00 1.22 H new ATOM 0 HB VAL A 5 6.569 6.307 -1.816 1.00 1.29 H new ATOM 0 HG11 VAL A 5 8.799 6.374 -2.870 1.00 1.79 H new ATOM 0 HG12 VAL A 5 8.450 7.866 -1.964 1.00 1.79 H new ATOM 0 HG13 VAL A 5 9.539 6.640 -1.273 1.00 1.79 H new ATOM 0 HG21 VAL A 5 7.835 4.217 -2.153 1.00 1.70 H new ATOM 0 HG22 VAL A 5 8.537 4.386 -0.527 1.00 1.70 H new ATOM 0 HG23 VAL A 5 6.786 4.132 -0.718 1.00 1.70 H new ATOM 76 N GLN A 6 4.934 6.614 0.991 1.00 1.03 N ATOM 77 CA GLN A 6 3.780 6.016 1.638 1.00 0.85 C ATOM 78 C GLN A 6 2.756 5.499 0.637 1.00 0.83 C ATOM 79 O GLN A 6 2.511 6.117 -0.399 1.00 0.94 O ATOM 80 CB GLN A 6 3.121 7.048 2.547 1.00 0.83 C ATOM 81 CG GLN A 6 3.654 7.032 3.967 1.00 1.45 C ATOM 82 CD GLN A 6 3.472 8.360 4.677 1.00 1.81 C ATOM 83 OE1 GLN A 6 2.958 8.413 5.794 1.00 2.26 O ATOM 84 NE2 GLN A 6 3.894 9.444 4.032 1.00 2.01 N ATOM 0 H GLN A 6 4.788 7.568 0.661 1.00 1.03 H new ATOM 0 HA GLN A 6 4.133 5.162 2.216 1.00 0.85 H new ATOM 0 HB2 GLN A 6 3.269 8.041 2.123 1.00 0.83 H new ATOM 0 HB3 GLN A 6 2.046 6.868 2.569 1.00 0.83 H new ATOM 0 HG2 GLN A 6 3.146 6.250 4.532 1.00 1.45 H new ATOM 0 HG3 GLN A 6 4.713 6.776 3.950 1.00 1.45 H new ATOM 0 HE21 GLN A 6 4.315 9.356 3.107 1.00 2.01 H new ATOM 0 HE22 GLN A 6 3.797 10.364 4.462 1.00 2.01 H new ATOM 93 N PHE A 7 2.133 4.376 0.979 1.00 0.74 N ATOM 94 CA PHE A 7 1.101 3.793 0.139 1.00 0.78 C ATOM 95 C PHE A 7 -0.265 4.177 0.703 1.00 0.62 C ATOM 96 O PHE A 7 -0.492 4.107 1.921 1.00 0.55 O ATOM 97 CB PHE A 7 1.264 2.261 0.042 1.00 0.86 C ATOM 98 CG PHE A 7 -0.017 1.511 -0.239 1.00 0.97 C ATOM 99 CD1 PHE A 7 -0.874 1.182 0.798 1.00 1.14 C ATOM 100 CD2 PHE A 7 -0.365 1.147 -1.531 1.00 0.98 C ATOM 101 CE1 PHE A 7 -2.053 0.504 0.556 1.00 1.29 C ATOM 102 CE2 PHE A 7 -1.545 0.469 -1.779 1.00 1.17 C ATOM 103 CZ PHE A 7 -2.388 0.147 -0.734 1.00 1.29 C ATOM 0 H PHE A 7 2.327 3.854 1.833 1.00 0.74 H new ATOM 0 HA PHE A 7 1.191 4.182 -0.875 1.00 0.78 H new ATOM 0 HB2 PHE A 7 1.983 2.034 -0.745 1.00 0.86 H new ATOM 0 HB3 PHE A 7 1.688 1.894 0.977 1.00 0.86 H new ATOM 0 HD1 PHE A 7 -0.617 1.459 1.810 1.00 1.14 H new ATOM 0 HD2 PHE A 7 0.292 1.395 -2.352 1.00 0.98 H new ATOM 0 HE1 PHE A 7 -2.711 0.254 1.375 1.00 1.29 H new ATOM 0 HE2 PHE A 7 -1.807 0.192 -2.789 1.00 1.17 H new ATOM 0 HZ PHE A 7 -3.309 -0.384 -0.926 1.00 1.29 H new ATOM 113 N LYS A 8 -1.151 4.601 -0.191 1.00 0.60 N ATOM 114 CA LYS A 8 -2.489 5.028 0.185 1.00 0.54 C ATOM 115 C LYS A 8 -3.552 4.287 -0.624 1.00 0.68 C ATOM 116 O LYS A 8 -3.358 3.987 -1.803 1.00 0.77 O ATOM 117 CB LYS A 8 -2.616 6.540 -0.026 1.00 0.61 C ATOM 118 CG LYS A 8 -4.038 7.073 0.078 1.00 1.40 C ATOM 119 CD LYS A 8 -4.157 8.464 -0.530 1.00 2.22 C ATOM 120 CE LYS A 8 -3.088 9.407 0.001 1.00 1.88 C ATOM 121 NZ LYS A 8 -3.209 10.767 -0.591 1.00 2.42 N ATOM 0 H LYS A 8 -0.961 4.657 -1.192 1.00 0.60 H new ATOM 0 HA LYS A 8 -2.650 4.791 1.237 1.00 0.54 H new ATOM 0 HB2 LYS A 8 -1.995 7.051 0.710 1.00 0.61 H new ATOM 0 HB3 LYS A 8 -2.218 6.792 -1.009 1.00 0.61 H new ATOM 0 HG2 LYS A 8 -4.721 6.393 -0.430 1.00 1.40 H new ATOM 0 HG3 LYS A 8 -4.340 7.105 1.125 1.00 1.40 H new ATOM 0 HD2 LYS A 8 -4.074 8.395 -1.615 1.00 2.22 H new ATOM 0 HD3 LYS A 8 -5.143 8.873 -0.311 1.00 2.22 H new ATOM 0 HE2 LYS A 8 -3.169 9.474 1.086 1.00 1.88 H new ATOM 0 HE3 LYS A 8 -2.101 9.000 -0.221 1.00 1.88 H new ATOM 0 HZ1 LYS A 8 -2.464 11.381 -0.205 1.00 2.42 H new ATOM 0 HZ2 LYS A 8 -3.107 10.706 -1.624 1.00 2.42 H new ATOM 0 HZ3 LYS A 8 -4.141 11.165 -0.358 1.00 2.42 H new ATOM 135 N LEU A 9 -4.675 4.002 0.023 1.00 0.86 N ATOM 136 CA LEU A 9 -5.783 3.303 -0.617 1.00 1.06 C ATOM 137 C LEU A 9 -6.200 4.011 -1.904 1.00 1.74 C ATOM 138 O LEU A 9 -6.638 5.161 -1.875 1.00 2.24 O ATOM 139 CB LEU A 9 -6.964 3.229 0.357 1.00 1.28 C ATOM 140 CG LEU A 9 -8.197 2.447 -0.118 1.00 1.38 C ATOM 141 CD1 LEU A 9 -8.912 3.193 -1.232 1.00 1.75 C ATOM 142 CD2 LEU A 9 -7.825 1.044 -0.566 1.00 1.96 C ATOM 0 H LEU A 9 -4.843 4.247 0.999 1.00 0.86 H new ATOM 0 HA LEU A 9 -5.463 2.294 -0.878 1.00 1.06 H new ATOM 0 HB2 LEU A 9 -6.612 2.780 1.286 1.00 1.28 H new ATOM 0 HB3 LEU A 9 -7.276 4.246 0.593 1.00 1.28 H new ATOM 0 HG LEU A 9 -8.877 2.357 0.729 1.00 1.38 H new ATOM 0 HD11 LEU A 9 -9.782 2.621 -1.553 1.00 1.75 H new ATOM 0 HD12 LEU A 9 -9.234 4.169 -0.868 1.00 1.75 H new ATOM 0 HD13 LEU A 9 -8.234 3.325 -2.075 1.00 1.75 H new ATOM 0 HD21 LEU A 9 -8.721 0.518 -0.896 1.00 1.96 H new ATOM 0 HD22 LEU A 9 -7.114 1.102 -1.390 1.00 1.96 H new ATOM 0 HD23 LEU A 9 -7.373 0.504 0.266 1.00 1.96 H new ATOM 154 N SER A 10 -6.064 3.318 -3.031 1.00 2.11 N ATOM 155 CA SER A 10 -6.432 3.887 -4.324 1.00 2.83 C ATOM 156 C SER A 10 -7.309 2.924 -5.118 1.00 2.93 C ATOM 157 O SER A 10 -6.841 1.890 -5.595 1.00 3.26 O ATOM 158 CB SER A 10 -5.179 4.235 -5.129 1.00 3.76 C ATOM 159 OG SER A 10 -4.531 3.065 -5.597 1.00 4.49 O ATOM 0 H SER A 10 -5.703 2.365 -3.075 1.00 2.11 H new ATOM 0 HA SER A 10 -7.002 4.798 -4.139 1.00 2.83 H new ATOM 0 HB2 SER A 10 -5.450 4.867 -5.975 1.00 3.76 H new ATOM 0 HB3 SER A 10 -4.493 4.811 -4.508 1.00 3.76 H new ATOM 0 HG SER A 10 -5.202 2.422 -5.909 1.00 4.49 H new ATOM 165 N ASP A 11 -8.583 3.272 -5.257 1.00 3.22 N ATOM 166 CA ASP A 11 -9.526 2.441 -5.994 1.00 3.68 C ATOM 167 C ASP A 11 -10.907 3.083 -6.024 1.00 3.44 C ATOM 168 O ASP A 11 -11.607 3.031 -7.035 1.00 4.01 O ATOM 169 CB ASP A 11 -9.617 1.052 -5.365 1.00 4.18 C ATOM 170 CG ASP A 11 -10.389 0.078 -6.232 1.00 4.90 C ATOM 171 OD1 ASP A 11 -10.899 0.502 -7.290 1.00 5.24 O ATOM 172 OD2 ASP A 11 -10.483 -1.108 -5.853 1.00 5.41 O ATOM 0 H ASP A 11 -8.986 4.125 -4.869 1.00 3.22 H new ATOM 0 HA ASP A 11 -9.162 2.347 -7.017 1.00 3.68 H new ATOM 0 HB2 ASP A 11 -8.612 0.666 -5.195 1.00 4.18 H new ATOM 0 HB3 ASP A 11 -10.099 1.128 -4.390 1.00 4.18 H new ATOM 177 N ILE A 12 -11.294 3.688 -4.907 1.00 2.82 N ATOM 178 CA ILE A 12 -12.592 4.338 -4.803 1.00 2.70 C ATOM 179 C ILE A 12 -12.441 5.837 -4.568 1.00 2.96 C ATOM 180 O ILE A 12 -11.327 6.351 -4.462 1.00 3.29 O ATOM 181 CB ILE A 12 -13.447 3.730 -3.672 1.00 2.58 C ATOM 182 CG1 ILE A 12 -12.571 3.330 -2.479 1.00 1.94 C ATOM 183 CG2 ILE A 12 -14.229 2.531 -4.188 1.00 3.25 C ATOM 184 CD1 ILE A 12 -11.771 2.061 -2.701 1.00 1.97 C ATOM 0 H ILE A 12 -10.726 3.741 -4.061 1.00 2.82 H new ATOM 0 HA ILE A 12 -13.100 4.172 -5.753 1.00 2.70 H new ATOM 0 HB ILE A 12 -14.154 4.487 -3.332 1.00 2.58 H new ATOM 0 HG12 ILE A 12 -11.884 4.146 -2.256 1.00 1.94 H new ATOM 0 HG13 ILE A 12 -13.206 3.199 -1.603 1.00 1.94 H new ATOM 0 HG21 ILE A 12 -14.828 2.112 -3.379 1.00 3.25 H new ATOM 0 HG22 ILE A 12 -14.885 2.846 -5.000 1.00 3.25 H new ATOM 0 HG23 ILE A 12 -13.535 1.775 -4.555 1.00 3.25 H new ATOM 0 HD11 ILE A 12 -11.177 1.845 -1.813 1.00 1.97 H new ATOM 0 HD12 ILE A 12 -12.451 1.231 -2.894 1.00 1.97 H new ATOM 0 HD13 ILE A 12 -11.109 2.193 -3.557 1.00 1.97 H new ATOM 196 N GLY A 13 -13.570 6.534 -4.494 1.00 3.15 N ATOM 197 CA GLY A 13 -13.546 7.968 -4.278 1.00 3.67 C ATOM 198 C GLY A 13 -13.412 8.337 -2.814 1.00 3.84 C ATOM 199 O GLY A 13 -13.501 7.477 -1.938 1.00 3.63 O ATOM 0 H GLY A 13 -14.503 6.130 -4.580 1.00 3.15 H new ATOM 0 HA2 GLY A 13 -12.715 8.401 -4.835 1.00 3.67 H new ATOM 0 HA3 GLY A 13 -14.461 8.407 -4.677 1.00 3.67 H new ATOM 203 N GLU A 14 -13.199 9.622 -2.550 1.00 4.49 N ATOM 204 CA GLU A 14 -13.053 10.108 -1.184 1.00 4.81 C ATOM 205 C GLU A 14 -14.408 10.493 -0.598 1.00 4.15 C ATOM 206 O GLU A 14 -14.774 11.668 -0.574 1.00 4.04 O ATOM 207 CB GLU A 14 -12.110 11.311 -1.148 1.00 5.76 C ATOM 208 CG GLU A 14 -12.510 12.425 -2.103 1.00 6.16 C ATOM 209 CD GLU A 14 -12.777 13.736 -1.391 1.00 7.04 C ATOM 210 OE1 GLU A 14 -13.423 13.711 -0.322 1.00 7.20 O ATOM 211 OE2 GLU A 14 -12.341 14.789 -1.903 1.00 7.72 O ATOM 0 H GLU A 14 -13.124 10.345 -3.265 1.00 4.49 H new ATOM 0 HA GLU A 14 -12.630 9.305 -0.581 1.00 4.81 H new ATOM 0 HB2 GLU A 14 -12.078 11.707 -0.133 1.00 5.76 H new ATOM 0 HB3 GLU A 14 -11.101 10.979 -1.392 1.00 5.76 H new ATOM 0 HG2 GLU A 14 -11.718 12.570 -2.838 1.00 6.16 H new ATOM 0 HG3 GLU A 14 -13.403 12.125 -2.651 1.00 6.16 H new ATOM 218 N GLY A 15 -15.151 9.494 -0.130 1.00 3.81 N ATOM 219 CA GLY A 15 -16.459 9.747 0.448 1.00 3.32 C ATOM 220 C GLY A 15 -17.386 8.551 0.332 1.00 2.93 C ATOM 221 O GLY A 15 -18.364 8.442 1.072 1.00 3.13 O ATOM 0 H GLY A 15 -14.870 8.513 -0.141 1.00 3.81 H new ATOM 0 HA2 GLY A 15 -16.343 10.013 1.499 1.00 3.32 H new ATOM 0 HA3 GLY A 15 -16.913 10.604 -0.049 1.00 3.32 H new ATOM 225 N ILE A 16 -17.080 7.657 -0.602 1.00 2.53 N ATOM 226 CA ILE A 16 -17.892 6.466 -0.822 1.00 2.22 C ATOM 227 C ILE A 16 -17.389 5.289 0.014 1.00 1.91 C ATOM 228 O ILE A 16 -16.556 5.459 0.904 1.00 1.88 O ATOM 229 CB ILE A 16 -17.896 6.069 -2.314 1.00 2.22 C ATOM 230 CG1 ILE A 16 -16.522 5.539 -2.737 1.00 2.32 C ATOM 231 CG2 ILE A 16 -18.294 7.260 -3.174 1.00 2.54 C ATOM 232 CD1 ILE A 16 -16.571 4.155 -3.344 1.00 2.22 C ATOM 0 H ILE A 16 -16.273 7.735 -1.221 1.00 2.53 H new ATOM 0 HA ILE A 16 -18.909 6.708 -0.513 1.00 2.22 H new ATOM 0 HB ILE A 16 -18.627 5.274 -2.458 1.00 2.22 H new ATOM 0 HG12 ILE A 16 -16.082 6.228 -3.458 1.00 2.32 H new ATOM 0 HG13 ILE A 16 -15.864 5.523 -1.868 1.00 2.32 H new ATOM 0 HG21 ILE A 16 -18.293 6.967 -4.224 1.00 2.54 H new ATOM 0 HG22 ILE A 16 -19.292 7.595 -2.892 1.00 2.54 H new ATOM 0 HG23 ILE A 16 -17.582 8.072 -3.023 1.00 2.54 H new ATOM 0 HD11 ILE A 16 -15.564 3.843 -3.620 1.00 2.22 H new ATOM 0 HD12 ILE A 16 -16.982 3.454 -2.618 1.00 2.22 H new ATOM 0 HD13 ILE A 16 -17.203 4.169 -4.232 1.00 2.22 H new ATOM 244 N ARG A 17 -17.896 4.096 -0.286 1.00 1.82 N ATOM 245 CA ARG A 17 -17.492 2.892 0.430 1.00 1.64 C ATOM 246 C ARG A 17 -15.991 2.661 0.288 1.00 1.22 C ATOM 247 O ARG A 17 -15.379 3.076 -0.695 1.00 1.14 O ATOM 248 CB ARG A 17 -18.260 1.675 -0.091 1.00 1.77 C ATOM 249 CG ARG A 17 -19.753 1.729 0.189 1.00 2.27 C ATOM 250 CD ARG A 17 -20.559 1.124 -0.950 1.00 2.75 C ATOM 251 NE ARG A 17 -21.886 1.724 -1.063 1.00 3.16 N ATOM 252 CZ ARG A 17 -22.886 1.462 -0.227 1.00 3.76 C ATOM 253 NH1 ARG A 17 -22.706 0.617 0.779 1.00 4.04 N ATOM 254 NH2 ARG A 17 -24.065 2.046 -0.395 1.00 4.40 N ATOM 0 H ARG A 17 -18.587 3.939 -1.020 1.00 1.82 H new ATOM 0 HA ARG A 17 -17.726 3.030 1.486 1.00 1.64 H new ATOM 0 HB2 ARG A 17 -18.104 1.591 -1.166 1.00 1.77 H new ATOM 0 HB3 ARG A 17 -17.847 0.774 0.362 1.00 1.77 H new ATOM 0 HG2 ARG A 17 -19.970 1.194 1.113 1.00 2.27 H new ATOM 0 HG3 ARG A 17 -20.058 2.764 0.341 1.00 2.27 H new ATOM 0 HD2 ARG A 17 -20.019 1.259 -1.887 1.00 2.75 H new ATOM 0 HD3 ARG A 17 -20.659 0.050 -0.792 1.00 2.75 H new ATOM 0 HE ARG A 17 -22.055 2.380 -1.825 1.00 3.16 H new ATOM 0 HH11 ARG A 17 -21.800 0.168 0.912 1.00 4.04 H new ATOM 0 HH12 ARG A 17 -23.474 0.416 1.420 1.00 4.04 H new ATOM 0 HH21 ARG A 17 -24.206 2.698 -1.167 1.00 4.40 H new ATOM 0 HH22 ARG A 17 -24.831 1.843 0.248 1.00 4.40 H new ATOM 268 N GLU A 18 -15.402 2.002 1.278 1.00 1.16 N ATOM 269 CA GLU A 18 -13.971 1.721 1.266 1.00 0.91 C ATOM 270 C GLU A 18 -13.703 0.292 0.801 1.00 0.63 C ATOM 271 O GLU A 18 -14.636 -0.486 0.604 1.00 0.66 O ATOM 272 CB GLU A 18 -13.386 1.954 2.657 1.00 1.29 C ATOM 273 CG GLU A 18 -13.216 3.425 2.997 1.00 1.64 C ATOM 274 CD GLU A 18 -14.151 3.879 4.100 1.00 1.83 C ATOM 275 OE1 GLU A 18 -15.382 3.832 3.893 1.00 2.17 O ATOM 276 OE2 GLU A 18 -13.652 4.283 5.171 1.00 2.11 O ATOM 0 H GLU A 18 -15.893 1.652 2.100 1.00 1.16 H new ATOM 0 HA GLU A 18 -13.487 2.398 0.562 1.00 0.91 H new ATOM 0 HB2 GLU A 18 -14.035 1.489 3.399 1.00 1.29 H new ATOM 0 HB3 GLU A 18 -12.418 1.458 2.724 1.00 1.29 H new ATOM 0 HG2 GLU A 18 -12.185 3.607 3.301 1.00 1.64 H new ATOM 0 HG3 GLU A 18 -13.395 4.024 2.104 1.00 1.64 H new ATOM 283 N VAL A 19 -12.428 -0.051 0.610 1.00 0.63 N ATOM 284 CA VAL A 19 -12.076 -1.396 0.149 1.00 0.57 C ATOM 285 C VAL A 19 -11.124 -2.103 1.110 1.00 0.41 C ATOM 286 O VAL A 19 -10.341 -1.466 1.814 1.00 0.47 O ATOM 287 CB VAL A 19 -11.447 -1.369 -1.258 1.00 0.93 C ATOM 288 CG1 VAL A 19 -10.101 -0.668 -1.233 1.00 1.51 C ATOM 289 CG2 VAL A 19 -11.307 -2.780 -1.809 1.00 1.16 C ATOM 0 H VAL A 19 -11.634 0.571 0.764 1.00 0.63 H new ATOM 0 HA VAL A 19 -13.011 -1.954 0.112 1.00 0.57 H new ATOM 0 HB VAL A 19 -12.110 -0.808 -1.917 1.00 0.93 H new ATOM 0 HG11 VAL A 19 -9.676 -0.661 -2.237 1.00 1.51 H new ATOM 0 HG12 VAL A 19 -10.231 0.357 -0.887 1.00 1.51 H new ATOM 0 HG13 VAL A 19 -9.428 -1.196 -0.558 1.00 1.51 H new ATOM 0 HG21 VAL A 19 -10.861 -2.740 -2.803 1.00 1.16 H new ATOM 0 HG22 VAL A 19 -10.669 -3.367 -1.148 1.00 1.16 H new ATOM 0 HG23 VAL A 19 -12.291 -3.246 -1.871 1.00 1.16 H new ATOM 299 N THR A 20 -11.200 -3.432 1.130 1.00 0.37 N ATOM 300 CA THR A 20 -10.357 -4.238 2.006 1.00 0.30 C ATOM 301 C THR A 20 -9.148 -4.780 1.265 1.00 0.33 C ATOM 302 O THR A 20 -9.169 -4.930 0.043 1.00 0.65 O ATOM 303 CB THR A 20 -11.129 -5.440 2.584 1.00 0.43 C ATOM 304 OG1 THR A 20 -12.539 -5.197 2.532 1.00 0.69 O ATOM 305 CG2 THR A 20 -10.700 -5.725 4.018 1.00 0.54 C ATOM 0 H THR A 20 -11.839 -3.973 0.548 1.00 0.37 H new ATOM 0 HA THR A 20 -10.038 -3.578 2.812 1.00 0.30 H new ATOM 0 HB THR A 20 -10.897 -6.315 1.976 1.00 0.43 H new ATOM 0 HG1 THR A 20 -13.018 -5.969 2.900 1.00 0.69 H new ATOM 0 HG21 THR A 20 -11.260 -6.578 4.403 1.00 0.54 H new ATOM 0 HG22 THR A 20 -9.634 -5.951 4.041 1.00 0.54 H new ATOM 0 HG23 THR A 20 -10.899 -4.851 4.638 1.00 0.54 H new ATOM 313 N VAL A 21 -8.099 -5.088 2.014 1.00 0.28 N ATOM 314 CA VAL A 21 -6.886 -5.632 1.420 1.00 0.25 C ATOM 315 C VAL A 21 -7.058 -7.119 1.132 1.00 0.29 C ATOM 316 O VAL A 21 -7.527 -7.875 1.981 1.00 0.33 O ATOM 317 CB VAL A 21 -5.663 -5.432 2.332 1.00 0.29 C ATOM 318 CG1 VAL A 21 -4.400 -5.916 1.637 1.00 1.39 C ATOM 319 CG2 VAL A 21 -5.532 -3.972 2.737 1.00 1.21 C ATOM 0 H VAL A 21 -8.063 -4.972 3.027 1.00 0.28 H new ATOM 0 HA VAL A 21 -6.713 -5.091 0.490 1.00 0.25 H new ATOM 0 HB VAL A 21 -5.804 -6.023 3.237 1.00 0.29 H new ATOM 0 HG11 VAL A 21 -3.543 -5.768 2.295 1.00 1.39 H new ATOM 0 HG12 VAL A 21 -4.498 -6.976 1.401 1.00 1.39 H new ATOM 0 HG13 VAL A 21 -4.252 -5.352 0.716 1.00 1.39 H new ATOM 0 HG21 VAL A 21 -4.662 -3.850 3.382 1.00 1.21 H new ATOM 0 HG22 VAL A 21 -5.412 -3.356 1.845 1.00 1.21 H new ATOM 0 HG23 VAL A 21 -6.428 -3.662 3.275 1.00 1.21 H new ATOM 329 N LYS A 22 -6.692 -7.530 -0.077 1.00 0.36 N ATOM 330 CA LYS A 22 -6.823 -8.926 -0.479 1.00 0.46 C ATOM 331 C LYS A 22 -5.528 -9.695 -0.245 1.00 0.52 C ATOM 332 O LYS A 22 -5.551 -10.894 0.035 1.00 0.66 O ATOM 333 CB LYS A 22 -7.215 -9.018 -1.955 1.00 0.52 C ATOM 334 CG LYS A 22 -8.184 -10.149 -2.259 1.00 0.78 C ATOM 335 CD LYS A 22 -7.491 -11.501 -2.219 1.00 1.48 C ATOM 336 CE LYS A 22 -8.313 -12.571 -2.920 1.00 2.16 C ATOM 337 NZ LYS A 22 -7.499 -13.344 -3.899 1.00 2.95 N ATOM 0 H LYS A 22 -6.303 -6.918 -0.794 1.00 0.36 H new ATOM 0 HA LYS A 22 -7.605 -9.375 0.134 1.00 0.46 H new ATOM 0 HB2 LYS A 22 -7.664 -8.074 -2.262 1.00 0.52 H new ATOM 0 HB3 LYS A 22 -6.314 -9.152 -2.554 1.00 0.52 H new ATOM 0 HG2 LYS A 22 -8.999 -10.135 -1.536 1.00 0.78 H new ATOM 0 HG3 LYS A 22 -8.628 -9.995 -3.243 1.00 0.78 H new ATOM 0 HD2 LYS A 22 -6.513 -11.423 -2.694 1.00 1.48 H new ATOM 0 HD3 LYS A 22 -7.320 -11.793 -1.183 1.00 1.48 H new ATOM 0 HE2 LYS A 22 -8.731 -13.251 -2.178 1.00 2.16 H new ATOM 0 HE3 LYS A 22 -9.153 -12.105 -3.434 1.00 2.16 H new ATOM 0 HZ1 LYS A 22 -8.096 -14.063 -4.355 1.00 2.95 H new ATOM 0 HZ2 LYS A 22 -7.120 -12.699 -4.622 1.00 2.95 H new ATOM 0 HZ3 LYS A 22 -6.712 -13.810 -3.404 1.00 2.95 H new ATOM 351 N GLU A 23 -4.400 -9.005 -0.371 1.00 0.46 N ATOM 352 CA GLU A 23 -3.101 -9.638 -0.181 1.00 0.56 C ATOM 353 C GLU A 23 -2.151 -8.740 0.605 1.00 0.42 C ATOM 354 O GLU A 23 -2.130 -7.522 0.422 1.00 0.42 O ATOM 355 CB GLU A 23 -2.484 -9.990 -1.536 1.00 0.73 C ATOM 356 CG GLU A 23 -1.611 -11.233 -1.503 1.00 1.09 C ATOM 357 CD GLU A 23 -1.316 -11.774 -2.888 1.00 1.33 C ATOM 358 OE1 GLU A 23 -2.279 -12.020 -3.645 1.00 2.13 O ATOM 359 OE2 GLU A 23 -0.124 -11.950 -3.218 1.00 1.63 O ATOM 0 H GLU A 23 -4.359 -8.013 -0.603 1.00 0.46 H new ATOM 0 HA GLU A 23 -3.256 -10.550 0.395 1.00 0.56 H new ATOM 0 HB2 GLU A 23 -3.283 -10.137 -2.262 1.00 0.73 H new ATOM 0 HB3 GLU A 23 -1.888 -9.147 -1.884 1.00 0.73 H new ATOM 0 HG2 GLU A 23 -0.672 -11.000 -1.000 1.00 1.09 H new ATOM 0 HG3 GLU A 23 -2.106 -12.005 -0.913 1.00 1.09 H new ATOM 366 N TRP A 24 -1.363 -9.359 1.476 1.00 0.35 N ATOM 367 CA TRP A 24 -0.396 -8.639 2.297 1.00 0.26 C ATOM 368 C TRP A 24 0.906 -9.428 2.381 1.00 0.24 C ATOM 369 O TRP A 24 0.928 -10.545 2.896 1.00 0.33 O ATOM 370 CB TRP A 24 -0.960 -8.408 3.699 1.00 0.37 C ATOM 371 CG TRP A 24 -1.692 -7.109 3.845 1.00 0.43 C ATOM 372 CD1 TRP A 24 -3.018 -6.949 4.109 1.00 0.75 C ATOM 373 CD2 TRP A 24 -1.142 -5.792 3.737 1.00 0.36 C ATOM 374 NE1 TRP A 24 -3.329 -5.614 4.178 1.00 0.74 N ATOM 375 CE2 TRP A 24 -2.196 -4.883 3.952 1.00 0.47 C ATOM 376 CE3 TRP A 24 0.136 -5.291 3.482 1.00 0.61 C ATOM 377 CZ2 TRP A 24 -2.009 -3.504 3.922 1.00 0.52 C ATOM 378 CZ3 TRP A 24 0.319 -3.921 3.450 1.00 0.83 C ATOM 379 CH2 TRP A 24 -0.748 -3.042 3.670 1.00 0.70 C ATOM 0 H TRP A 24 -1.375 -10.367 1.633 1.00 0.35 H new ATOM 0 HA TRP A 24 -0.196 -7.672 1.837 1.00 0.26 H new ATOM 0 HB2 TRP A 24 -1.636 -9.226 3.949 1.00 0.37 H new ATOM 0 HB3 TRP A 24 -0.143 -8.438 4.420 1.00 0.37 H new ATOM 0 HD1 TRP A 24 -3.723 -7.756 4.245 1.00 0.75 H new ATOM 0 HE1 TRP A 24 -4.255 -5.230 4.367 1.00 0.74 H new ATOM 0 HE3 TRP A 24 0.966 -5.961 3.313 1.00 0.61 H new ATOM 0 HZ2 TRP A 24 -2.831 -2.824 4.092 1.00 0.52 H new ATOM 0 HZ3 TRP A 24 1.303 -3.522 3.252 1.00 0.83 H new ATOM 0 HH2 TRP A 24 -0.571 -1.977 3.640 1.00 0.70 H new ATOM 390 N TYR A 25 1.985 -8.853 1.862 1.00 0.20 N ATOM 391 CA TYR A 25 3.280 -9.527 1.876 1.00 0.31 C ATOM 392 C TYR A 25 4.330 -8.707 2.616 1.00 0.27 C ATOM 393 O TYR A 25 5.507 -8.725 2.256 1.00 0.36 O ATOM 394 CB TYR A 25 3.749 -9.800 0.445 1.00 0.42 C ATOM 395 CG TYR A 25 3.591 -11.242 0.018 1.00 0.70 C ATOM 396 CD1 TYR A 25 4.357 -12.246 0.599 1.00 1.07 C ATOM 397 CD2 TYR A 25 2.676 -11.600 -0.964 1.00 1.16 C ATOM 398 CE1 TYR A 25 4.216 -13.565 0.211 1.00 1.34 C ATOM 399 CE2 TYR A 25 2.529 -12.917 -1.357 1.00 1.44 C ATOM 400 CZ TYR A 25 3.301 -13.896 -0.767 1.00 1.36 C ATOM 401 OH TYR A 25 3.157 -15.209 -1.159 1.00 1.72 O ATOM 0 H TYR A 25 1.991 -7.929 1.429 1.00 0.20 H new ATOM 0 HA TYR A 25 3.155 -10.472 2.404 1.00 0.31 H new ATOM 0 HB2 TYR A 25 3.188 -9.164 -0.239 1.00 0.42 H new ATOM 0 HB3 TYR A 25 4.798 -9.517 0.356 1.00 0.42 H new ATOM 0 HD1 TYR A 25 5.074 -11.991 1.366 1.00 1.07 H new ATOM 0 HD2 TYR A 25 2.069 -10.837 -1.428 1.00 1.16 H new ATOM 0 HE1 TYR A 25 4.819 -14.333 0.671 1.00 1.34 H new ATOM 0 HE2 TYR A 25 1.813 -13.178 -2.122 1.00 1.44 H new ATOM 0 HH TYR A 25 2.470 -15.269 -1.856 1.00 1.72 H new ATOM 411 N VAL A 26 3.905 -7.986 3.649 1.00 0.22 N ATOM 412 CA VAL A 26 4.825 -7.163 4.425 1.00 0.22 C ATOM 413 C VAL A 26 4.314 -6.935 5.849 1.00 0.22 C ATOM 414 O VAL A 26 3.172 -7.265 6.172 1.00 0.31 O ATOM 415 CB VAL A 26 5.071 -5.801 3.735 1.00 0.28 C ATOM 416 CG1 VAL A 26 5.400 -6.005 2.267 1.00 0.50 C ATOM 417 CG2 VAL A 26 3.867 -4.879 3.886 1.00 0.40 C ATOM 0 H VAL A 26 2.936 -7.955 3.966 1.00 0.22 H new ATOM 0 HA VAL A 26 5.768 -7.707 4.481 1.00 0.22 H new ATOM 0 HB VAL A 26 5.921 -5.325 4.224 1.00 0.28 H new ATOM 0 HG11 VAL A 26 5.571 -5.038 1.795 1.00 0.50 H new ATOM 0 HG12 VAL A 26 6.298 -6.616 2.177 1.00 0.50 H new ATOM 0 HG13 VAL A 26 4.568 -6.508 1.774 1.00 0.50 H new ATOM 0 HG21 VAL A 26 4.071 -3.930 3.390 1.00 0.40 H new ATOM 0 HG22 VAL A 26 2.993 -5.345 3.432 1.00 0.40 H new ATOM 0 HG23 VAL A 26 3.675 -4.702 4.944 1.00 0.40 H new ATOM 427 N LYS A 27 5.170 -6.364 6.692 1.00 0.24 N ATOM 428 CA LYS A 27 4.813 -6.086 8.080 1.00 0.26 C ATOM 429 C LYS A 27 5.536 -4.840 8.587 1.00 0.29 C ATOM 430 O LYS A 27 6.550 -4.429 8.024 1.00 0.42 O ATOM 431 CB LYS A 27 5.158 -7.283 8.965 1.00 0.38 C ATOM 432 CG LYS A 27 4.050 -8.321 9.036 1.00 0.61 C ATOM 433 CD LYS A 27 2.847 -7.802 9.807 1.00 0.99 C ATOM 434 CE LYS A 27 1.589 -8.581 9.461 1.00 1.52 C ATOM 435 NZ LYS A 27 1.838 -10.048 9.430 1.00 1.89 N ATOM 0 H LYS A 27 6.117 -6.084 6.438 1.00 0.24 H new ATOM 0 HA LYS A 27 3.739 -5.906 8.125 1.00 0.26 H new ATOM 0 HB2 LYS A 27 6.065 -7.756 8.587 1.00 0.38 H new ATOM 0 HB3 LYS A 27 5.379 -6.929 9.972 1.00 0.38 H new ATOM 0 HG2 LYS A 27 3.745 -8.598 8.027 1.00 0.61 H new ATOM 0 HG3 LYS A 27 4.427 -9.225 9.514 1.00 0.61 H new ATOM 0 HD2 LYS A 27 3.040 -7.876 10.877 1.00 0.99 H new ATOM 0 HD3 LYS A 27 2.696 -6.746 9.582 1.00 0.99 H new ATOM 0 HE2 LYS A 27 0.812 -8.360 10.192 1.00 1.52 H new ATOM 0 HE3 LYS A 27 1.215 -8.255 8.490 1.00 1.52 H new ATOM 0 HZ1 LYS A 27 0.931 -10.555 9.479 1.00 1.89 H new ATOM 0 HZ2 LYS A 27 2.327 -10.298 8.547 1.00 1.89 H new ATOM 0 HZ3 LYS A 27 2.429 -10.317 10.242 1.00 1.89 H new ATOM 449 N GLU A 28 5.013 -4.243 9.655 1.00 0.30 N ATOM 450 CA GLU A 28 5.622 -3.049 10.233 1.00 0.34 C ATOM 451 C GLU A 28 7.079 -3.319 10.585 1.00 0.38 C ATOM 452 O GLU A 28 7.398 -4.341 11.193 1.00 0.42 O ATOM 453 CB GLU A 28 4.856 -2.607 11.481 1.00 0.42 C ATOM 454 CG GLU A 28 3.348 -2.720 11.342 1.00 0.35 C ATOM 455 CD GLU A 28 2.794 -3.968 12.000 1.00 1.10 C ATOM 456 OE1 GLU A 28 3.190 -4.259 13.148 1.00 2.03 O ATOM 457 OE2 GLU A 28 1.965 -4.655 11.367 1.00 1.23 O ATOM 0 H GLU A 28 4.173 -4.565 10.136 1.00 0.30 H new ATOM 0 HA GLU A 28 5.578 -2.248 9.495 1.00 0.34 H new ATOM 0 HB2 GLU A 28 5.180 -3.211 12.329 1.00 0.42 H new ATOM 0 HB3 GLU A 28 5.115 -1.573 11.708 1.00 0.42 H new ATOM 0 HG2 GLU A 28 2.879 -1.841 11.785 1.00 0.35 H new ATOM 0 HG3 GLU A 28 3.084 -2.723 10.285 1.00 0.35 H new ATOM 464 N GLY A 29 7.968 -2.414 10.185 1.00 0.39 N ATOM 465 CA GLY A 29 9.378 -2.612 10.459 1.00 0.45 C ATOM 466 C GLY A 29 9.992 -3.668 9.551 1.00 0.40 C ATOM 467 O GLY A 29 11.162 -4.021 9.701 1.00 0.44 O ATOM 0 H GLY A 29 7.740 -1.557 9.682 1.00 0.39 H new ATOM 0 HA2 GLY A 29 9.909 -1.669 10.329 1.00 0.45 H new ATOM 0 HA3 GLY A 29 9.507 -2.909 11.500 1.00 0.45 H new ATOM 471 N ASP A 30 9.190 -4.185 8.619 1.00 0.34 N ATOM 472 CA ASP A 30 9.639 -5.219 7.695 1.00 0.31 C ATOM 473 C ASP A 30 10.089 -4.619 6.370 1.00 0.25 C ATOM 474 O ASP A 30 9.659 -3.530 5.991 1.00 0.24 O ATOM 475 CB ASP A 30 8.518 -6.229 7.448 1.00 0.31 C ATOM 476 CG ASP A 30 9.035 -7.650 7.331 1.00 0.91 C ATOM 477 OD1 ASP A 30 10.184 -7.827 6.875 1.00 1.27 O ATOM 478 OD2 ASP A 30 8.291 -8.585 7.695 1.00 1.36 O ATOM 0 H ASP A 30 8.220 -3.900 8.486 1.00 0.34 H new ATOM 0 HA ASP A 30 10.491 -5.725 8.150 1.00 0.31 H new ATOM 0 HB2 ASP A 30 7.797 -6.174 8.263 1.00 0.31 H new ATOM 0 HB3 ASP A 30 7.987 -5.962 6.534 1.00 0.31 H new ATOM 483 N THR A 31 10.957 -5.339 5.669 1.00 0.23 N ATOM 484 CA THR A 31 11.465 -4.878 4.386 1.00 0.18 C ATOM 485 C THR A 31 10.724 -5.536 3.228 1.00 0.18 C ATOM 486 O THR A 31 10.206 -6.646 3.352 1.00 0.30 O ATOM 487 CB THR A 31 12.971 -5.157 4.241 1.00 0.19 C ATOM 488 OG1 THR A 31 13.644 -4.867 5.472 1.00 0.31 O ATOM 489 CG2 THR A 31 13.564 -4.318 3.122 1.00 0.30 C ATOM 0 H THR A 31 11.322 -6.243 5.968 1.00 0.23 H new ATOM 0 HA THR A 31 11.299 -3.801 4.354 1.00 0.18 H new ATOM 0 HB THR A 31 13.105 -6.211 3.997 1.00 0.19 H new ATOM 0 HG1 THR A 31 14.602 -5.049 5.372 1.00 0.31 H new ATOM 0 HG21 THR A 31 14.630 -4.529 3.035 1.00 0.30 H new ATOM 0 HG22 THR A 31 13.068 -4.561 2.183 1.00 0.30 H new ATOM 0 HG23 THR A 31 13.421 -3.261 3.345 1.00 0.30 H new ATOM 497 N VAL A 32 10.675 -4.833 2.105 1.00 0.14 N ATOM 498 CA VAL A 32 9.996 -5.319 0.911 1.00 0.14 C ATOM 499 C VAL A 32 10.999 -5.738 -0.157 1.00 0.14 C ATOM 500 O VAL A 32 12.120 -5.233 -0.200 1.00 0.18 O ATOM 501 CB VAL A 32 9.041 -4.258 0.302 1.00 0.20 C ATOM 502 CG1 VAL A 32 7.599 -4.699 0.453 1.00 0.28 C ATOM 503 CG2 VAL A 32 9.238 -2.878 0.925 1.00 0.18 C ATOM 0 H VAL A 32 11.103 -3.914 1.996 1.00 0.14 H new ATOM 0 HA VAL A 32 9.406 -6.179 1.228 1.00 0.14 H new ATOM 0 HB VAL A 32 9.285 -4.175 -0.757 1.00 0.20 H new ATOM 0 HG11 VAL A 32 6.941 -3.945 0.021 1.00 0.28 H new ATOM 0 HG12 VAL A 32 7.453 -5.647 -0.064 1.00 0.28 H new ATOM 0 HG13 VAL A 32 7.365 -4.822 1.510 1.00 0.28 H new ATOM 0 HG21 VAL A 32 8.548 -2.170 0.466 1.00 0.18 H new ATOM 0 HG22 VAL A 32 9.045 -2.931 1.996 1.00 0.18 H new ATOM 0 HG23 VAL A 32 10.263 -2.546 0.758 1.00 0.18 H new ATOM 513 N SER A 33 10.582 -6.658 -1.021 1.00 0.23 N ATOM 514 CA SER A 33 11.436 -7.142 -2.100 1.00 0.31 C ATOM 515 C SER A 33 10.709 -7.063 -3.440 1.00 0.33 C ATOM 516 O SER A 33 9.485 -6.943 -3.485 1.00 0.35 O ATOM 517 CB SER A 33 11.875 -8.581 -1.829 1.00 0.38 C ATOM 518 OG SER A 33 13.276 -8.657 -1.633 1.00 1.42 O ATOM 0 H SER A 33 9.656 -7.084 -0.995 1.00 0.23 H new ATOM 0 HA SER A 33 12.320 -6.506 -2.145 1.00 0.31 H new ATOM 0 HB2 SER A 33 11.360 -8.962 -0.947 1.00 0.38 H new ATOM 0 HB3 SER A 33 11.586 -9.217 -2.666 1.00 0.38 H new ATOM 0 HG SER A 33 13.532 -9.587 -1.460 1.00 1.42 H new ATOM 524 N GLN A 34 11.470 -7.129 -4.527 1.00 0.37 N ATOM 525 CA GLN A 34 10.897 -7.062 -5.867 1.00 0.41 C ATOM 526 C GLN A 34 9.785 -8.092 -6.044 1.00 0.43 C ATOM 527 O GLN A 34 8.841 -7.877 -6.804 1.00 0.52 O ATOM 528 CB GLN A 34 11.983 -7.290 -6.920 1.00 0.44 C ATOM 529 CG GLN A 34 11.912 -6.323 -8.091 1.00 0.76 C ATOM 530 CD GLN A 34 11.196 -6.912 -9.291 1.00 1.54 C ATOM 531 OE1 GLN A 34 11.822 -7.270 -10.289 1.00 2.38 O ATOM 532 NE2 GLN A 34 9.875 -7.015 -9.201 1.00 1.72 N ATOM 0 H GLN A 34 12.485 -7.229 -4.507 1.00 0.37 H new ATOM 0 HA GLN A 34 10.470 -6.068 -5.997 1.00 0.41 H new ATOM 0 HB2 GLN A 34 12.961 -7.201 -6.446 1.00 0.44 H new ATOM 0 HB3 GLN A 34 11.903 -8.310 -7.297 1.00 0.44 H new ATOM 0 HG2 GLN A 34 11.399 -5.414 -7.776 1.00 0.76 H new ATOM 0 HG3 GLN A 34 12.922 -6.034 -8.381 1.00 0.76 H new ATOM 0 HE21 GLN A 34 9.396 -6.706 -8.355 1.00 1.72 H new ATOM 0 HE22 GLN A 34 9.340 -7.403 -9.978 1.00 1.72 H new ATOM 541 N PHE A 35 9.908 -9.216 -5.345 1.00 0.43 N ATOM 542 CA PHE A 35 8.917 -10.284 -5.434 1.00 0.48 C ATOM 543 C PHE A 35 7.886 -10.190 -4.311 1.00 0.43 C ATOM 544 O PHE A 35 6.800 -10.762 -4.409 1.00 0.47 O ATOM 545 CB PHE A 35 9.607 -11.648 -5.385 1.00 0.58 C ATOM 546 CG PHE A 35 9.939 -12.210 -6.740 1.00 0.99 C ATOM 547 CD1 PHE A 35 10.981 -11.685 -7.489 1.00 1.12 C ATOM 548 CD2 PHE A 35 9.209 -13.266 -7.262 1.00 1.86 C ATOM 549 CE1 PHE A 35 11.288 -12.204 -8.733 1.00 1.64 C ATOM 550 CE2 PHE A 35 9.512 -13.789 -8.504 1.00 2.52 C ATOM 551 CZ PHE A 35 10.553 -13.257 -9.241 1.00 2.31 C ATOM 0 H PHE A 35 10.683 -9.411 -4.711 1.00 0.43 H new ATOM 0 HA PHE A 35 8.395 -10.171 -6.384 1.00 0.48 H new ATOM 0 HB2 PHE A 35 10.525 -11.560 -4.804 1.00 0.58 H new ATOM 0 HB3 PHE A 35 8.963 -12.352 -4.858 1.00 0.58 H new ATOM 0 HD1 PHE A 35 11.559 -10.862 -7.096 1.00 1.12 H new ATOM 0 HD2 PHE A 35 8.394 -13.685 -6.691 1.00 1.86 H new ATOM 0 HE1 PHE A 35 12.102 -11.786 -9.307 1.00 1.64 H new ATOM 0 HE2 PHE A 35 8.936 -14.613 -8.899 1.00 2.52 H new ATOM 0 HZ PHE A 35 10.791 -13.664 -10.213 1.00 2.31 H new ATOM 561 N ASP A 36 8.230 -9.477 -3.243 1.00 0.36 N ATOM 562 CA ASP A 36 7.329 -9.328 -2.104 1.00 0.34 C ATOM 563 C ASP A 36 6.554 -8.015 -2.170 1.00 0.25 C ATOM 564 O ASP A 36 7.047 -6.970 -1.747 1.00 0.21 O ATOM 565 CB ASP A 36 8.117 -9.401 -0.795 1.00 0.41 C ATOM 566 CG ASP A 36 8.232 -10.818 -0.268 1.00 0.76 C ATOM 567 OD1 ASP A 36 7.807 -11.751 -0.980 1.00 0.84 O ATOM 568 OD2 ASP A 36 8.746 -10.993 0.857 1.00 1.69 O ATOM 0 H ASP A 36 9.123 -8.995 -3.142 1.00 0.36 H new ATOM 0 HA ASP A 36 6.610 -10.146 -2.141 1.00 0.34 H new ATOM 0 HB2 ASP A 36 9.115 -8.992 -0.952 1.00 0.41 H new ATOM 0 HB3 ASP A 36 7.631 -8.776 -0.046 1.00 0.41 H new ATOM 573 N SER A 37 5.331 -8.081 -2.690 1.00 0.26 N ATOM 574 CA SER A 37 4.477 -6.901 -2.801 1.00 0.21 C ATOM 575 C SER A 37 4.065 -6.403 -1.418 1.00 0.23 C ATOM 576 O SER A 37 4.128 -7.146 -0.439 1.00 0.28 O ATOM 577 CB SER A 37 3.235 -7.221 -3.634 1.00 0.25 C ATOM 578 OG SER A 37 2.741 -8.516 -3.338 1.00 0.94 O ATOM 0 H SER A 37 4.908 -8.940 -3.042 1.00 0.26 H new ATOM 0 HA SER A 37 5.044 -6.114 -3.299 1.00 0.21 H new ATOM 0 HB2 SER A 37 2.461 -6.479 -3.437 1.00 0.25 H new ATOM 0 HB3 SER A 37 3.478 -7.155 -4.695 1.00 0.25 H new ATOM 0 HG SER A 37 3.150 -9.169 -3.944 1.00 0.94 H new ATOM 584 N ILE A 38 3.648 -5.142 -1.339 1.00 0.22 N ATOM 585 CA ILE A 38 3.234 -4.560 -0.066 1.00 0.27 C ATOM 586 C ILE A 38 1.771 -4.861 0.230 1.00 0.27 C ATOM 587 O ILE A 38 1.461 -5.673 1.106 1.00 0.27 O ATOM 588 CB ILE A 38 3.468 -3.037 -0.036 1.00 0.32 C ATOM 589 CG1 ILE A 38 4.913 -2.740 -0.466 1.00 0.36 C ATOM 590 CG2 ILE A 38 3.168 -2.489 1.358 1.00 0.34 C ATOM 591 CD1 ILE A 38 5.451 -1.398 -0.011 1.00 0.47 C ATOM 0 H ILE A 38 3.588 -4.508 -2.135 1.00 0.22 H new ATOM 0 HA ILE A 38 3.850 -5.020 0.706 1.00 0.27 H new ATOM 0 HB ILE A 38 2.794 -2.540 -0.734 1.00 0.32 H new ATOM 0 HG12 ILE A 38 5.561 -3.526 -0.077 1.00 0.36 H new ATOM 0 HG13 ILE A 38 4.970 -2.788 -1.553 1.00 0.36 H new ATOM 0 HG21 ILE A 38 3.336 -1.412 1.370 1.00 0.34 H new ATOM 0 HG22 ILE A 38 2.129 -2.697 1.615 1.00 0.34 H new ATOM 0 HG23 ILE A 38 3.824 -2.966 2.086 1.00 0.34 H new ATOM 0 HD11 ILE A 38 6.476 -1.279 -0.362 1.00 0.47 H new ATOM 0 HD12 ILE A 38 4.832 -0.600 -0.421 1.00 0.47 H new ATOM 0 HD13 ILE A 38 5.432 -1.349 1.078 1.00 0.47 H new ATOM 603 N CYS A 39 0.874 -4.208 -0.500 1.00 0.32 N ATOM 604 CA CYS A 39 -0.558 -4.411 -0.304 1.00 0.34 C ATOM 605 C CYS A 39 -1.289 -4.532 -1.635 1.00 0.40 C ATOM 606 O CYS A 39 -0.923 -3.893 -2.623 1.00 0.55 O ATOM 607 CB CYS A 39 -1.184 -3.272 0.522 1.00 0.40 C ATOM 608 SG CYS A 39 -0.090 -1.868 0.880 1.00 1.29 S ATOM 0 H CYS A 39 1.111 -3.536 -1.230 1.00 0.32 H new ATOM 0 HA CYS A 39 -0.669 -5.345 0.247 1.00 0.34 H new ATOM 0 HB2 CYS A 39 -2.060 -2.900 -0.010 1.00 0.40 H new ATOM 0 HB3 CYS A 39 -1.537 -3.685 1.467 1.00 0.40 H new ATOM 0 HG CYS A 39 -0.752 -0.757 0.746 1.00 1.29 H new ATOM 614 N GLU A 40 -2.332 -5.352 -1.645 1.00 0.36 N ATOM 615 CA GLU A 40 -3.138 -5.564 -2.839 1.00 0.44 C ATOM 616 C GLU A 40 -4.614 -5.655 -2.464 1.00 0.48 C ATOM 617 O GLU A 40 -4.996 -6.458 -1.613 1.00 0.50 O ATOM 618 CB GLU A 40 -2.691 -6.838 -3.559 1.00 0.57 C ATOM 619 CG GLU A 40 -1.244 -6.796 -4.024 1.00 1.15 C ATOM 620 CD GLU A 40 -0.442 -7.992 -3.548 1.00 1.65 C ATOM 621 OE1 GLU A 40 0.017 -7.976 -2.386 1.00 1.74 O ATOM 622 OE2 GLU A 40 -0.271 -8.944 -4.338 1.00 2.37 O ATOM 0 H GLU A 40 -2.641 -5.885 -0.832 1.00 0.36 H new ATOM 0 HA GLU A 40 -3.000 -4.719 -3.513 1.00 0.44 H new ATOM 0 HB2 GLU A 40 -2.825 -7.689 -2.892 1.00 0.57 H new ATOM 0 HB3 GLU A 40 -3.337 -7.004 -4.421 1.00 0.57 H new ATOM 0 HG2 GLU A 40 -1.217 -6.756 -5.113 1.00 1.15 H new ATOM 0 HG3 GLU A 40 -0.776 -5.881 -3.660 1.00 1.15 H new ATOM 629 N VAL A 41 -5.438 -4.823 -3.092 1.00 0.55 N ATOM 630 CA VAL A 41 -6.868 -4.813 -2.807 1.00 0.64 C ATOM 631 C VAL A 41 -7.684 -5.183 -4.040 1.00 0.92 C ATOM 632 O VAL A 41 -7.240 -4.996 -5.172 1.00 1.08 O ATOM 633 CB VAL A 41 -7.332 -3.435 -2.290 1.00 0.65 C ATOM 634 CG1 VAL A 41 -6.526 -3.022 -1.068 1.00 1.35 C ATOM 635 CG2 VAL A 41 -7.231 -2.382 -3.385 1.00 1.32 C ATOM 0 H VAL A 41 -5.142 -4.150 -3.799 1.00 0.55 H new ATOM 0 HA VAL A 41 -7.036 -5.559 -2.030 1.00 0.64 H new ATOM 0 HB VAL A 41 -8.379 -3.517 -1.997 1.00 0.65 H new ATOM 0 HG11 VAL A 41 -6.868 -2.048 -0.719 1.00 1.35 H new ATOM 0 HG12 VAL A 41 -6.661 -3.759 -0.277 1.00 1.35 H new ATOM 0 HG13 VAL A 41 -5.470 -2.962 -1.332 1.00 1.35 H new ATOM 0 HG21 VAL A 41 -7.564 -1.420 -2.996 1.00 1.32 H new ATOM 0 HG22 VAL A 41 -6.196 -2.301 -3.718 1.00 1.32 H new ATOM 0 HG23 VAL A 41 -7.861 -2.671 -4.226 1.00 1.32 H new ATOM 645 N GLN A 42 -8.882 -5.709 -3.808 1.00 1.03 N ATOM 646 CA GLN A 42 -9.767 -6.107 -4.896 1.00 1.34 C ATOM 647 C GLN A 42 -11.214 -5.742 -4.582 1.00 1.39 C ATOM 648 O GLN A 42 -11.767 -6.170 -3.570 1.00 1.38 O ATOM 649 CB GLN A 42 -9.651 -7.611 -5.148 1.00 1.58 C ATOM 650 CG GLN A 42 -8.274 -8.045 -5.619 1.00 1.80 C ATOM 651 CD GLN A 42 -8.327 -8.871 -6.889 1.00 2.17 C ATOM 652 OE1 GLN A 42 -9.403 -9.132 -7.428 1.00 2.33 O ATOM 653 NE2 GLN A 42 -7.163 -9.286 -7.374 1.00 2.60 N ATOM 0 H GLN A 42 -9.262 -5.870 -2.875 1.00 1.03 H new ATOM 0 HA GLN A 42 -9.464 -5.570 -5.794 1.00 1.34 H new ATOM 0 HB2 GLN A 42 -9.896 -8.145 -4.230 1.00 1.58 H new ATOM 0 HB3 GLN A 42 -10.390 -7.904 -5.894 1.00 1.58 H new ATOM 0 HG2 GLN A 42 -7.657 -7.163 -5.789 1.00 1.80 H new ATOM 0 HG3 GLN A 42 -7.791 -8.625 -4.833 1.00 1.80 H new ATOM 0 HE21 GLN A 42 -6.296 -9.046 -6.894 1.00 2.60 H new ATOM 0 HE22 GLN A 42 -7.136 -9.845 -8.227 1.00 2.60 H new ATOM 662 N SER A 43 -11.821 -4.949 -5.459 1.00 1.55 N ATOM 663 CA SER A 43 -13.204 -4.526 -5.277 1.00 1.64 C ATOM 664 C SER A 43 -14.051 -4.900 -6.491 1.00 2.05 C ATOM 665 O SER A 43 -13.537 -5.031 -7.602 1.00 2.29 O ATOM 666 CB SER A 43 -13.269 -3.016 -5.041 1.00 1.43 C ATOM 667 OG SER A 43 -14.605 -2.589 -4.841 1.00 1.73 O ATOM 0 H SER A 43 -11.377 -4.587 -6.303 1.00 1.55 H new ATOM 0 HA SER A 43 -13.605 -5.041 -4.404 1.00 1.64 H new ATOM 0 HB2 SER A 43 -12.666 -2.754 -4.171 1.00 1.43 H new ATOM 0 HB3 SER A 43 -12.840 -2.492 -5.895 1.00 1.43 H new ATOM 0 HG SER A 43 -14.620 -1.621 -4.691 1.00 1.73 H new ATOM 673 N ASP A 44 -15.351 -5.069 -6.269 1.00 2.23 N ATOM 674 CA ASP A 44 -16.273 -5.427 -7.343 1.00 2.66 C ATOM 675 C ASP A 44 -16.079 -4.518 -8.553 1.00 2.80 C ATOM 676 O ASP A 44 -16.329 -4.918 -9.690 1.00 3.14 O ATOM 677 CB ASP A 44 -17.718 -5.333 -6.848 1.00 2.85 C ATOM 678 CG ASP A 44 -18.670 -6.176 -7.673 1.00 3.67 C ATOM 679 OD1 ASP A 44 -18.947 -5.798 -8.831 1.00 3.89 O ATOM 680 OD2 ASP A 44 -19.139 -7.215 -7.162 1.00 4.39 O ATOM 0 H ASP A 44 -15.790 -4.964 -5.355 1.00 2.23 H new ATOM 0 HA ASP A 44 -16.062 -6.453 -7.645 1.00 2.66 H new ATOM 0 HB2 ASP A 44 -17.764 -5.653 -5.807 1.00 2.85 H new ATOM 0 HB3 ASP A 44 -18.041 -4.292 -6.876 1.00 2.85 H new ATOM 685 N LYS A 45 -15.631 -3.294 -8.298 1.00 2.69 N ATOM 686 CA LYS A 45 -15.400 -2.325 -9.362 1.00 2.92 C ATOM 687 C LYS A 45 -14.110 -2.643 -10.112 1.00 3.03 C ATOM 688 O LYS A 45 -14.139 -3.044 -11.276 1.00 3.65 O ATOM 689 CB LYS A 45 -15.337 -0.909 -8.780 1.00 2.89 C ATOM 690 CG LYS A 45 -14.940 0.155 -9.790 1.00 2.98 C ATOM 691 CD LYS A 45 -14.405 1.401 -9.104 1.00 3.17 C ATOM 692 CE LYS A 45 -13.046 1.797 -9.656 1.00 3.22 C ATOM 693 NZ LYS A 45 -13.158 2.454 -10.987 1.00 3.62 N ATOM 0 H LYS A 45 -15.420 -2.949 -7.362 1.00 2.69 H new ATOM 0 HA LYS A 45 -16.230 -2.383 -10.066 1.00 2.92 H new ATOM 0 HB2 LYS A 45 -16.311 -0.655 -8.363 1.00 2.89 H new ATOM 0 HB3 LYS A 45 -14.624 -0.897 -7.955 1.00 2.89 H new ATOM 0 HG2 LYS A 45 -14.182 -0.245 -10.463 1.00 2.98 H new ATOM 0 HG3 LYS A 45 -15.803 0.417 -10.402 1.00 2.98 H new ATOM 0 HD2 LYS A 45 -15.108 2.223 -9.239 1.00 3.17 H new ATOM 0 HD3 LYS A 45 -14.326 1.222 -8.032 1.00 3.17 H new ATOM 0 HE2 LYS A 45 -12.553 2.473 -8.957 1.00 3.22 H new ATOM 0 HE3 LYS A 45 -12.416 0.911 -9.740 1.00 3.22 H new ATOM 0 HZ1 LYS A 45 -12.210 2.709 -11.329 1.00 3.62 H new ATOM 0 HZ2 LYS A 45 -13.605 1.800 -11.661 1.00 3.62 H new ATOM 0 HZ3 LYS A 45 -13.738 3.313 -10.902 1.00 3.62 H new ATOM 707 N ALA A 46 -12.980 -2.461 -9.438 1.00 2.58 N ATOM 708 CA ALA A 46 -11.679 -2.727 -10.038 1.00 2.82 C ATOM 709 C ALA A 46 -10.689 -3.234 -8.996 1.00 2.68 C ATOM 710 O ALA A 46 -10.760 -2.859 -7.826 1.00 2.63 O ATOM 711 CB ALA A 46 -11.143 -1.473 -10.709 1.00 2.83 C ATOM 0 H ALA A 46 -12.939 -2.130 -8.474 1.00 2.58 H new ATOM 0 HA ALA A 46 -11.805 -3.505 -10.791 1.00 2.82 H new ATOM 0 HB1 ALA A 46 -10.171 -1.685 -11.153 1.00 2.83 H new ATOM 0 HB2 ALA A 46 -11.835 -1.153 -11.487 1.00 2.83 H new ATOM 0 HB3 ALA A 46 -11.038 -0.680 -9.968 1.00 2.83 H new ATOM 717 N SER A 47 -9.767 -4.088 -9.427 1.00 2.96 N ATOM 718 CA SER A 47 -8.763 -4.645 -8.528 1.00 2.92 C ATOM 719 C SER A 47 -7.400 -4.004 -8.766 1.00 2.26 C ATOM 720 O SER A 47 -6.984 -3.813 -9.910 1.00 2.31 O ATOM 721 CB SER A 47 -8.669 -6.161 -8.710 1.00 3.72 C ATOM 722 OG SER A 47 -9.904 -6.789 -8.407 1.00 4.52 O ATOM 0 H SER A 47 -9.694 -4.409 -10.392 1.00 2.96 H new ATOM 0 HA SER A 47 -9.069 -4.428 -7.505 1.00 2.92 H new ATOM 0 HB2 SER A 47 -8.383 -6.390 -9.737 1.00 3.72 H new ATOM 0 HB3 SER A 47 -7.887 -6.560 -8.065 1.00 3.72 H new ATOM 0 HG SER A 47 -9.778 -7.760 -8.376 1.00 4.52 H new ATOM 728 N VAL A 48 -6.709 -3.673 -7.679 1.00 2.12 N ATOM 729 CA VAL A 48 -5.393 -3.050 -7.770 1.00 1.80 C ATOM 730 C VAL A 48 -4.359 -3.808 -6.943 1.00 1.55 C ATOM 731 O VAL A 48 -4.643 -4.257 -5.833 1.00 1.97 O ATOM 732 CB VAL A 48 -5.430 -1.586 -7.296 1.00 2.53 C ATOM 733 CG1 VAL A 48 -4.134 -0.876 -7.657 1.00 2.98 C ATOM 734 CG2 VAL A 48 -6.629 -0.863 -7.891 1.00 3.50 C ATOM 0 H VAL A 48 -7.038 -3.826 -6.726 1.00 2.12 H new ATOM 0 HA VAL A 48 -5.107 -3.081 -8.821 1.00 1.80 H new ATOM 0 HB VAL A 48 -5.532 -1.575 -6.211 1.00 2.53 H new ATOM 0 HG11 VAL A 48 -4.178 0.158 -7.314 1.00 2.98 H new ATOM 0 HG12 VAL A 48 -3.296 -1.382 -7.177 1.00 2.98 H new ATOM 0 HG13 VAL A 48 -3.998 -0.894 -8.738 1.00 2.98 H new ATOM 0 HG21 VAL A 48 -6.639 0.171 -7.545 1.00 3.50 H new ATOM 0 HG22 VAL A 48 -6.562 -0.881 -8.979 1.00 3.50 H new ATOM 0 HG23 VAL A 48 -7.547 -1.360 -7.576 1.00 3.50 H new ATOM 744 N THR A 49 -3.155 -3.936 -7.493 1.00 1.13 N ATOM 745 CA THR A 49 -2.066 -4.629 -6.813 1.00 0.98 C ATOM 746 C THR A 49 -0.811 -3.765 -6.793 1.00 0.69 C ATOM 747 O THR A 49 -0.386 -3.253 -7.829 1.00 0.71 O ATOM 748 CB THR A 49 -1.738 -5.968 -7.498 1.00 1.22 C ATOM 749 OG1 THR A 49 -1.469 -5.754 -8.889 1.00 1.28 O ATOM 750 CG2 THR A 49 -2.889 -6.951 -7.343 1.00 1.46 C ATOM 0 H THR A 49 -2.909 -3.567 -8.411 1.00 1.13 H new ATOM 0 HA THR A 49 -2.396 -4.825 -5.793 1.00 0.98 H new ATOM 0 HB THR A 49 -0.854 -6.390 -7.019 1.00 1.22 H new ATOM 0 HG1 THR A 49 -1.021 -4.890 -9.006 1.00 1.28 H new ATOM 0 HG21 THR A 49 -2.634 -7.890 -7.835 1.00 1.46 H new ATOM 0 HG22 THR A 49 -3.071 -7.134 -6.284 1.00 1.46 H new ATOM 0 HG23 THR A 49 -3.787 -6.534 -7.799 1.00 1.46 H new ATOM 758 N ILE A 50 -0.221 -3.599 -5.613 1.00 0.66 N ATOM 759 CA ILE A 50 0.982 -2.787 -5.479 1.00 0.49 C ATOM 760 C ILE A 50 2.217 -3.650 -5.251 1.00 0.37 C ATOM 761 O ILE A 50 2.433 -4.177 -4.156 1.00 0.36 O ATOM 762 CB ILE A 50 0.852 -1.771 -4.321 1.00 0.66 C ATOM 763 CG1 ILE A 50 -0.321 -0.820 -4.571 1.00 0.95 C ATOM 764 CG2 ILE A 50 2.145 -0.979 -4.143 1.00 0.78 C ATOM 765 CD1 ILE A 50 -0.372 -0.264 -5.979 1.00 1.01 C ATOM 0 H ILE A 50 -0.554 -4.013 -4.742 1.00 0.66 H new ATOM 0 HA ILE A 50 1.097 -2.245 -6.417 1.00 0.49 H new ATOM 0 HB ILE A 50 0.662 -2.328 -3.403 1.00 0.66 H new ATOM 0 HG12 ILE A 50 -1.253 -1.347 -4.365 1.00 0.95 H new ATOM 0 HG13 ILE A 50 -0.261 0.009 -3.866 1.00 0.95 H new ATOM 0 HG21 ILE A 50 2.028 -0.271 -3.322 1.00 0.78 H new ATOM 0 HG22 ILE A 50 2.963 -1.663 -3.918 1.00 0.78 H new ATOM 0 HG23 ILE A 50 2.369 -0.436 -5.061 1.00 0.78 H new ATOM 0 HD11 ILE A 50 -1.230 0.401 -6.077 1.00 1.01 H new ATOM 0 HD12 ILE A 50 0.543 0.292 -6.184 1.00 1.01 H new ATOM 0 HD13 ILE A 50 -0.465 -1.084 -6.691 1.00 1.01 H new ATOM 777 N THR A 51 3.041 -3.761 -6.285 1.00 0.41 N ATOM 778 CA THR A 51 4.271 -4.527 -6.196 1.00 0.44 C ATOM 779 C THR A 51 5.371 -3.663 -5.600 1.00 0.40 C ATOM 780 O THR A 51 5.140 -2.502 -5.262 1.00 0.50 O ATOM 781 CB THR A 51 4.721 -5.047 -7.575 1.00 0.56 C ATOM 782 OG1 THR A 51 3.964 -4.410 -8.611 1.00 0.79 O ATOM 783 CG2 THR A 51 4.544 -6.555 -7.666 1.00 1.04 C ATOM 0 H THR A 51 2.877 -3.329 -7.194 1.00 0.41 H new ATOM 0 HA THR A 51 4.080 -5.388 -5.555 1.00 0.44 H new ATOM 0 HB THR A 51 5.778 -4.811 -7.701 1.00 0.56 H new ATOM 0 HG1 THR A 51 4.258 -4.745 -9.484 1.00 0.79 H new ATOM 0 HG21 THR A 51 4.868 -6.901 -8.648 1.00 1.04 H new ATOM 0 HG22 THR A 51 5.144 -7.039 -6.895 1.00 1.04 H new ATOM 0 HG23 THR A 51 3.494 -6.807 -7.521 1.00 1.04 H new ATOM 791 N SER A 52 6.561 -4.223 -5.465 1.00 0.49 N ATOM 792 CA SER A 52 7.676 -3.481 -4.900 1.00 0.56 C ATOM 793 C SER A 52 8.546 -2.870 -5.992 1.00 0.56 C ATOM 794 O SER A 52 8.825 -1.671 -5.970 1.00 0.66 O ATOM 795 CB SER A 52 8.520 -4.387 -4.006 1.00 0.63 C ATOM 796 OG SER A 52 7.716 -5.038 -3.039 1.00 1.36 O ATOM 0 H SER A 52 6.780 -5.182 -5.736 1.00 0.49 H new ATOM 0 HA SER A 52 7.264 -2.670 -4.300 1.00 0.56 H new ATOM 0 HB2 SER A 52 9.034 -5.130 -4.616 1.00 0.63 H new ATOM 0 HB3 SER A 52 9.289 -3.797 -3.507 1.00 0.63 H new ATOM 0 HG SER A 52 7.968 -5.984 -2.987 1.00 1.36 H new ATOM 802 N ARG A 53 8.996 -3.708 -6.931 1.00 0.54 N ATOM 803 CA ARG A 53 9.860 -3.254 -8.023 1.00 0.63 C ATOM 804 C ARG A 53 11.244 -2.824 -7.491 1.00 0.58 C ATOM 805 O ARG A 53 12.083 -2.324 -8.240 1.00 0.68 O ATOM 806 CB ARG A 53 9.161 -2.109 -8.790 1.00 0.83 C ATOM 807 CG ARG A 53 10.091 -1.183 -9.562 1.00 1.39 C ATOM 808 CD ARG A 53 10.887 -1.942 -10.611 1.00 2.19 C ATOM 809 NE ARG A 53 10.204 -1.969 -11.902 1.00 2.73 N ATOM 810 CZ ARG A 53 10.533 -2.794 -12.890 1.00 3.54 C ATOM 811 NH1 ARG A 53 11.521 -3.664 -12.729 1.00 4.04 N ATOM 812 NH2 ARG A 53 9.873 -2.753 -14.039 1.00 4.23 N ATOM 0 H ARG A 53 8.776 -4.704 -6.956 1.00 0.54 H new ATOM 0 HA ARG A 53 10.030 -4.080 -8.714 1.00 0.63 H new ATOM 0 HB2 ARG A 53 8.446 -2.544 -9.488 1.00 0.83 H new ATOM 0 HB3 ARG A 53 8.589 -1.513 -8.079 1.00 0.83 H new ATOM 0 HG2 ARG A 53 9.507 -0.398 -10.044 1.00 1.39 H new ATOM 0 HG3 ARG A 53 10.775 -0.692 -8.869 1.00 1.39 H new ATOM 0 HD2 ARG A 53 11.866 -1.478 -10.729 1.00 2.19 H new ATOM 0 HD3 ARG A 53 11.057 -2.963 -10.269 1.00 2.19 H new ATOM 0 HE ARG A 53 9.433 -1.319 -12.053 1.00 2.73 H new ATOM 0 HH11 ARG A 53 12.030 -3.700 -11.846 1.00 4.04 H new ATOM 0 HH12 ARG A 53 11.772 -4.297 -13.489 1.00 4.04 H new ATOM 0 HH21 ARG A 53 9.111 -2.087 -14.166 1.00 4.23 H new ATOM 0 HH22 ARG A 53 10.127 -3.387 -14.796 1.00 4.23 H new ATOM 826 N TYR A 54 11.473 -3.031 -6.195 1.00 0.45 N ATOM 827 CA TYR A 54 12.725 -2.677 -5.552 1.00 0.41 C ATOM 828 C TYR A 54 12.664 -3.114 -4.097 1.00 0.31 C ATOM 829 O TYR A 54 11.608 -3.528 -3.620 1.00 0.28 O ATOM 830 CB TYR A 54 12.972 -1.169 -5.643 1.00 0.50 C ATOM 831 CG TYR A 54 13.764 -0.758 -6.863 1.00 1.15 C ATOM 832 CD1 TYR A 54 15.066 -1.204 -7.051 1.00 1.77 C ATOM 833 CD2 TYR A 54 13.209 0.073 -7.827 1.00 1.89 C ATOM 834 CE1 TYR A 54 15.792 -0.834 -8.166 1.00 2.59 C ATOM 835 CE2 TYR A 54 13.929 0.448 -8.945 1.00 2.72 C ATOM 836 CZ TYR A 54 15.220 -0.008 -9.110 1.00 2.95 C ATOM 837 OH TYR A 54 15.939 0.361 -10.224 1.00 3.88 O ATOM 0 H TYR A 54 10.790 -3.451 -5.565 1.00 0.45 H new ATOM 0 HA TYR A 54 13.549 -3.181 -6.057 1.00 0.41 H new ATOM 0 HB2 TYR A 54 12.012 -0.652 -5.652 1.00 0.50 H new ATOM 0 HB3 TYR A 54 13.502 -0.842 -4.749 1.00 0.50 H new ATOM 0 HD1 TYR A 54 15.518 -1.851 -6.313 1.00 1.77 H new ATOM 0 HD2 TYR A 54 12.198 0.432 -7.701 1.00 1.89 H new ATOM 0 HE1 TYR A 54 16.803 -1.190 -8.298 1.00 2.59 H new ATOM 0 HE2 TYR A 54 13.483 1.095 -9.686 1.00 2.72 H new ATOM 0 HH TYR A 54 15.390 0.944 -10.789 1.00 3.88 H new ATOM 847 N ASP A 55 13.771 -3.014 -3.381 1.00 0.30 N ATOM 848 CA ASP A 55 13.772 -3.400 -1.980 1.00 0.24 C ATOM 849 C ASP A 55 13.594 -2.167 -1.106 1.00 0.23 C ATOM 850 O ASP A 55 14.406 -1.243 -1.142 1.00 0.28 O ATOM 851 CB ASP A 55 15.058 -4.139 -1.611 1.00 0.28 C ATOM 852 CG ASP A 55 16.269 -3.225 -1.559 1.00 1.01 C ATOM 853 OD1 ASP A 55 16.808 -2.893 -2.636 1.00 1.33 O ATOM 854 OD2 ASP A 55 16.676 -2.842 -0.442 1.00 1.52 O ATOM 0 H ASP A 55 14.665 -2.676 -3.737 1.00 0.30 H new ATOM 0 HA ASP A 55 12.939 -4.082 -1.809 1.00 0.24 H new ATOM 0 HB2 ASP A 55 14.930 -4.620 -0.641 1.00 0.28 H new ATOM 0 HB3 ASP A 55 15.238 -4.931 -2.338 1.00 0.28 H new ATOM 859 N GLY A 56 12.508 -2.150 -0.341 1.00 0.18 N ATOM 860 CA GLY A 56 12.223 -1.014 0.509 1.00 0.18 C ATOM 861 C GLY A 56 11.977 -1.392 1.952 1.00 0.15 C ATOM 862 O GLY A 56 11.763 -2.557 2.267 1.00 0.15 O ATOM 0 H GLY A 56 11.822 -2.903 -0.296 1.00 0.18 H new ATOM 0 HA2 GLY A 56 13.058 -0.315 0.461 1.00 0.18 H new ATOM 0 HA3 GLY A 56 11.348 -0.491 0.123 1.00 0.18 H new ATOM 866 N VAL A 57 12.018 -0.402 2.833 1.00 0.18 N ATOM 867 CA VAL A 57 11.811 -0.645 4.258 1.00 0.21 C ATOM 868 C VAL A 57 10.452 -0.135 4.740 1.00 0.22 C ATOM 869 O VAL A 57 10.163 1.059 4.664 1.00 0.26 O ATOM 870 CB VAL A 57 12.918 0.015 5.104 1.00 0.30 C ATOM 871 CG1 VAL A 57 12.970 -0.602 6.492 1.00 1.06 C ATOM 872 CG2 VAL A 57 14.268 -0.105 4.411 1.00 1.11 C ATOM 0 H VAL A 57 12.192 0.573 2.590 1.00 0.18 H new ATOM 0 HA VAL A 57 11.844 -1.727 4.388 1.00 0.21 H new ATOM 0 HB VAL A 57 12.682 1.074 5.209 1.00 0.30 H new ATOM 0 HG11 VAL A 57 13.757 -0.123 7.074 1.00 1.06 H new ATOM 0 HG12 VAL A 57 12.011 -0.458 6.991 1.00 1.06 H new ATOM 0 HG13 VAL A 57 13.178 -1.669 6.408 1.00 1.06 H new ATOM 0 HG21 VAL A 57 15.035 0.367 5.025 1.00 1.11 H new ATOM 0 HG22 VAL A 57 14.513 -1.158 4.271 1.00 1.11 H new ATOM 0 HG23 VAL A 57 14.224 0.390 3.441 1.00 1.11 H new ATOM 882 N ILE A 58 9.633 -1.051 5.259 1.00 0.21 N ATOM 883 CA ILE A 58 8.312 -0.703 5.782 1.00 0.24 C ATOM 884 C ILE A 58 8.362 -0.609 7.302 1.00 0.33 C ATOM 885 O ILE A 58 8.805 -1.545 7.975 1.00 0.38 O ATOM 886 CB ILE A 58 7.246 -1.732 5.362 1.00 0.19 C ATOM 887 CG1 ILE A 58 7.365 -2.016 3.871 1.00 0.20 C ATOM 888 CG2 ILE A 58 5.853 -1.220 5.688 1.00 0.23 C ATOM 889 CD1 ILE A 58 6.433 -3.099 3.381 1.00 0.17 C ATOM 0 H ILE A 58 9.863 -2.042 5.328 1.00 0.21 H new ATOM 0 HA ILE A 58 8.033 0.263 5.362 1.00 0.24 H new ATOM 0 HB ILE A 58 7.411 -2.655 5.917 1.00 0.19 H new ATOM 0 HG12 ILE A 58 7.163 -1.098 3.318 1.00 0.20 H new ATOM 0 HG13 ILE A 58 8.392 -2.304 3.646 1.00 0.20 H new ATOM 0 HG21 ILE A 58 5.113 -1.960 5.384 1.00 0.23 H new ATOM 0 HG22 ILE A 58 5.772 -1.045 6.761 1.00 0.23 H new ATOM 0 HG23 ILE A 58 5.674 -0.287 5.153 1.00 0.23 H new ATOM 0 HD11 ILE A 58 6.576 -3.245 2.310 1.00 0.17 H new ATOM 0 HD12 ILE A 58 6.649 -4.030 3.906 1.00 0.17 H new ATOM 0 HD13 ILE A 58 5.401 -2.805 3.573 1.00 0.17 H new ATOM 901 N LYS A 59 7.939 0.537 7.835 1.00 0.40 N ATOM 902 CA LYS A 59 7.982 0.768 9.278 1.00 0.53 C ATOM 903 C LYS A 59 6.638 0.548 9.972 1.00 0.52 C ATOM 904 O LYS A 59 6.606 0.104 11.119 1.00 0.61 O ATOM 905 CB LYS A 59 8.476 2.187 9.565 1.00 0.65 C ATOM 906 CG LYS A 59 8.949 2.389 10.995 1.00 0.83 C ATOM 907 CD LYS A 59 9.653 3.725 11.166 1.00 1.03 C ATOM 908 CE LYS A 59 9.281 4.388 12.482 1.00 1.51 C ATOM 909 NZ LYS A 59 10.221 5.488 12.834 1.00 2.14 N ATOM 0 H LYS A 59 7.565 1.316 7.293 1.00 0.40 H new ATOM 0 HA LYS A 59 8.673 0.030 9.685 1.00 0.53 H new ATOM 0 HB2 LYS A 59 9.294 2.423 8.884 1.00 0.65 H new ATOM 0 HB3 LYS A 59 7.672 2.892 9.354 1.00 0.65 H new ATOM 0 HG2 LYS A 59 8.096 2.337 11.672 1.00 0.83 H new ATOM 0 HG3 LYS A 59 9.626 1.582 11.273 1.00 0.83 H new ATOM 0 HD2 LYS A 59 10.732 3.576 11.125 1.00 1.03 H new ATOM 0 HD3 LYS A 59 9.390 4.384 10.339 1.00 1.03 H new ATOM 0 HE2 LYS A 59 8.268 4.784 12.416 1.00 1.51 H new ATOM 0 HE3 LYS A 59 9.281 3.642 13.277 1.00 1.51 H new ATOM 0 HZ1 LYS A 59 9.933 5.915 13.738 1.00 2.14 H new ATOM 0 HZ2 LYS A 59 11.184 5.106 12.922 1.00 2.14 H new ATOM 0 HZ3 LYS A 59 10.203 6.212 12.088 1.00 2.14 H new ATOM 923 N LYS A 60 5.532 0.868 9.307 1.00 0.44 N ATOM 924 CA LYS A 60 4.226 0.695 9.939 1.00 0.45 C ATOM 925 C LYS A 60 3.109 0.411 8.938 1.00 0.37 C ATOM 926 O LYS A 60 3.070 0.974 7.846 1.00 0.53 O ATOM 927 CB LYS A 60 3.874 1.932 10.783 1.00 0.55 C ATOM 928 CG LYS A 60 3.257 3.085 9.998 1.00 0.76 C ATOM 929 CD LYS A 60 4.190 3.601 8.915 1.00 0.51 C ATOM 930 CE LYS A 60 5.450 4.217 9.502 1.00 0.71 C ATOM 931 NZ LYS A 60 5.179 5.533 10.145 1.00 1.35 N ATOM 0 H LYS A 60 5.510 1.239 8.357 1.00 0.44 H new ATOM 0 HA LYS A 60 4.305 -0.182 10.581 1.00 0.45 H new ATOM 0 HB2 LYS A 60 3.180 1.633 11.569 1.00 0.55 H new ATOM 0 HB3 LYS A 60 4.779 2.289 11.275 1.00 0.55 H new ATOM 0 HG2 LYS A 60 2.322 2.755 9.544 1.00 0.76 H new ATOM 0 HG3 LYS A 60 3.010 3.898 10.681 1.00 0.76 H new ATOM 0 HD2 LYS A 60 4.462 2.782 8.249 1.00 0.51 H new ATOM 0 HD3 LYS A 60 3.670 4.344 8.311 1.00 0.51 H new ATOM 0 HE2 LYS A 60 5.878 3.536 10.237 1.00 0.71 H new ATOM 0 HE3 LYS A 60 6.193 4.344 8.714 1.00 0.71 H new ATOM 0 HZ1 LYS A 60 6.053 5.895 10.577 1.00 1.35 H new ATOM 0 HZ2 LYS A 60 4.842 6.207 9.428 1.00 1.35 H new ATOM 0 HZ3 LYS A 60 4.452 5.417 10.880 1.00 1.35 H new ATOM 945 N LEU A 61 2.183 -0.445 9.358 1.00 0.35 N ATOM 946 CA LEU A 61 1.023 -0.803 8.555 1.00 0.37 C ATOM 947 C LEU A 61 -0.236 -0.616 9.396 1.00 0.56 C ATOM 948 O LEU A 61 -0.210 -0.826 10.609 1.00 0.94 O ATOM 949 CB LEU A 61 1.127 -2.248 8.060 1.00 0.39 C ATOM 950 CG LEU A 61 2.212 -2.497 7.010 1.00 0.33 C ATOM 951 CD1 LEU A 61 2.902 -3.825 7.262 1.00 1.14 C ATOM 952 CD2 LEU A 61 1.614 -2.464 5.616 1.00 0.91 C ATOM 0 H LEU A 61 2.217 -0.909 10.266 1.00 0.35 H new ATOM 0 HA LEU A 61 0.978 -0.156 7.679 1.00 0.37 H new ATOM 0 HB2 LEU A 61 1.315 -2.896 8.916 1.00 0.39 H new ATOM 0 HB3 LEU A 61 0.164 -2.543 7.642 1.00 0.39 H new ATOM 0 HG LEU A 61 2.956 -1.704 7.086 1.00 0.33 H new ATOM 0 HD11 LEU A 61 3.670 -3.985 6.506 1.00 1.14 H new ATOM 0 HD12 LEU A 61 3.362 -3.814 8.250 1.00 1.14 H new ATOM 0 HD13 LEU A 61 2.170 -4.631 7.212 1.00 1.14 H new ATOM 0 HD21 LEU A 61 2.398 -2.643 4.880 1.00 0.91 H new ATOM 0 HD22 LEU A 61 0.851 -3.238 5.529 1.00 0.91 H new ATOM 0 HD23 LEU A 61 1.163 -1.488 5.437 1.00 0.91 H new ATOM 964 N TYR A 62 -1.325 -0.191 8.769 1.00 0.68 N ATOM 965 CA TYR A 62 -2.564 0.051 9.501 1.00 0.88 C ATOM 966 C TYR A 62 -3.686 -0.899 9.083 1.00 0.75 C ATOM 967 O TYR A 62 -4.445 -1.374 9.928 1.00 0.87 O ATOM 968 CB TYR A 62 -3.004 1.502 9.302 1.00 1.16 C ATOM 969 CG TYR A 62 -3.712 2.099 10.498 1.00 1.24 C ATOM 970 CD1 TYR A 62 -3.001 2.490 11.627 1.00 1.81 C ATOM 971 CD2 TYR A 62 -5.090 2.277 10.497 1.00 1.55 C ATOM 972 CE1 TYR A 62 -3.645 3.041 12.720 1.00 2.35 C ATOM 973 CE2 TYR A 62 -5.740 2.827 11.585 1.00 2.07 C ATOM 974 CZ TYR A 62 -5.013 3.208 12.694 1.00 2.38 C ATOM 975 OH TYR A 62 -5.656 3.757 13.779 1.00 3.08 O ATOM 0 H TYR A 62 -1.378 -0.008 7.767 1.00 0.68 H new ATOM 0 HA TYR A 62 -2.363 -0.137 10.556 1.00 0.88 H new ATOM 0 HB2 TYR A 62 -2.128 2.108 9.071 1.00 1.16 H new ATOM 0 HB3 TYR A 62 -3.665 1.555 8.437 1.00 1.16 H new ATOM 0 HD1 TYR A 62 -1.929 2.361 11.651 1.00 1.81 H new ATOM 0 HD2 TYR A 62 -5.663 1.980 9.631 1.00 1.55 H new ATOM 0 HE1 TYR A 62 -3.079 3.339 13.590 1.00 2.35 H new ATOM 0 HE2 TYR A 62 -6.812 2.958 11.567 1.00 2.07 H new ATOM 0 HH TYR A 62 -6.618 3.806 13.599 1.00 3.08 H new ATOM 985 N TYR A 63 -3.806 -1.161 7.786 1.00 0.64 N ATOM 986 CA TYR A 63 -4.862 -2.040 7.291 1.00 0.62 C ATOM 987 C TYR A 63 -4.323 -3.410 6.885 1.00 0.63 C ATOM 988 O TYR A 63 -3.231 -3.524 6.329 1.00 0.73 O ATOM 989 CB TYR A 63 -5.581 -1.386 6.113 1.00 0.79 C ATOM 990 CG TYR A 63 -6.242 -0.075 6.473 1.00 1.02 C ATOM 991 CD1 TYR A 63 -7.001 0.045 7.630 1.00 1.16 C ATOM 992 CD2 TYR A 63 -6.103 1.042 5.660 1.00 1.28 C ATOM 993 CE1 TYR A 63 -7.604 1.242 7.967 1.00 1.45 C ATOM 994 CE2 TYR A 63 -6.702 2.243 5.991 1.00 1.56 C ATOM 995 CZ TYR A 63 -7.451 2.338 7.145 1.00 1.60 C ATOM 996 OH TYR A 63 -8.049 3.532 7.477 1.00 1.93 O ATOM 0 H TYR A 63 -3.193 -0.782 7.064 1.00 0.64 H new ATOM 0 HA TYR A 63 -5.569 -2.195 8.106 1.00 0.62 H new ATOM 0 HB2 TYR A 63 -4.866 -1.216 5.308 1.00 0.79 H new ATOM 0 HB3 TYR A 63 -6.336 -2.073 5.729 1.00 0.79 H new ATOM 0 HD1 TYR A 63 -7.122 -0.811 8.277 1.00 1.16 H new ATOM 0 HD2 TYR A 63 -5.518 0.971 4.755 1.00 1.28 H new ATOM 0 HE1 TYR A 63 -8.192 1.318 8.870 1.00 1.45 H new ATOM 0 HE2 TYR A 63 -6.584 3.103 5.349 1.00 1.56 H new ATOM 0 HH TYR A 63 -7.842 4.203 6.793 1.00 1.93 H new ATOM 1006 N ASN A 64 -5.110 -4.445 7.172 1.00 0.63 N ATOM 1007 CA ASN A 64 -4.740 -5.818 6.850 1.00 0.67 C ATOM 1008 C ASN A 64 -5.722 -6.435 5.860 1.00 0.49 C ATOM 1009 O ASN A 64 -6.626 -5.769 5.355 1.00 0.47 O ATOM 1010 CB ASN A 64 -4.708 -6.670 8.118 1.00 0.93 C ATOM 1011 CG ASN A 64 -3.601 -6.256 9.068 1.00 1.14 C ATOM 1012 OD1 ASN A 64 -3.087 -5.140 8.989 1.00 1.70 O ATOM 1013 ND2 ASN A 64 -3.228 -7.155 9.972 1.00 1.03 N ATOM 0 H ASN A 64 -6.016 -4.355 7.631 1.00 0.63 H new ATOM 0 HA ASN A 64 -3.749 -5.795 6.396 1.00 0.67 H new ATOM 0 HB2 ASN A 64 -5.668 -6.593 8.628 1.00 0.93 H new ATOM 0 HB3 ASN A 64 -4.576 -7.717 7.845 1.00 0.93 H new ATOM 0 HD21 ASN A 64 -2.488 -6.932 10.637 1.00 1.03 H new ATOM 0 HD22 ASN A 64 -3.682 -8.068 10.001 1.00 1.03 H new ATOM 1020 N LEU A 65 -5.524 -7.720 5.594 1.00 0.54 N ATOM 1021 CA LEU A 65 -6.362 -8.471 4.675 1.00 0.54 C ATOM 1022 C LEU A 65 -7.850 -8.334 5.000 1.00 0.66 C ATOM 1023 O LEU A 65 -8.700 -8.587 4.147 1.00 0.77 O ATOM 1024 CB LEU A 65 -5.970 -9.946 4.737 1.00 0.66 C ATOM 1025 CG LEU A 65 -4.660 -10.304 4.037 1.00 0.75 C ATOM 1026 CD1 LEU A 65 -3.606 -10.711 5.054 1.00 1.06 C ATOM 1027 CD2 LEU A 65 -4.883 -11.416 3.024 1.00 1.04 C ATOM 0 H LEU A 65 -4.774 -8.270 6.013 1.00 0.54 H new ATOM 0 HA LEU A 65 -6.204 -8.066 3.676 1.00 0.54 H new ATOM 0 HB2 LEU A 65 -5.896 -10.241 5.784 1.00 0.66 H new ATOM 0 HB3 LEU A 65 -6.772 -10.537 4.295 1.00 0.66 H new ATOM 0 HG LEU A 65 -4.302 -9.422 3.505 1.00 0.75 H new ATOM 0 HD11 LEU A 65 -2.680 -10.963 4.537 1.00 1.06 H new ATOM 0 HD12 LEU A 65 -3.425 -9.885 5.741 1.00 1.06 H new ATOM 0 HD13 LEU A 65 -3.956 -11.578 5.614 1.00 1.06 H new ATOM 0 HD21 LEU A 65 -3.939 -11.658 2.535 1.00 1.04 H new ATOM 0 HD22 LEU A 65 -5.265 -12.301 3.533 1.00 1.04 H new ATOM 0 HD23 LEU A 65 -5.605 -11.088 2.276 1.00 1.04 H new ATOM 1039 N ASP A 66 -8.166 -7.968 6.239 1.00 0.75 N ATOM 1040 CA ASP A 66 -9.560 -7.845 6.658 1.00 0.92 C ATOM 1041 C ASP A 66 -10.004 -6.390 6.812 1.00 0.87 C ATOM 1042 O ASP A 66 -11.194 -6.090 6.717 1.00 1.00 O ATOM 1043 CB ASP A 66 -9.776 -8.593 7.975 1.00 1.12 C ATOM 1044 CG ASP A 66 -11.233 -8.941 8.212 1.00 1.74 C ATOM 1045 OD1 ASP A 66 -12.093 -8.054 8.027 1.00 2.33 O ATOM 1046 OD2 ASP A 66 -11.514 -10.100 8.582 1.00 2.30 O ATOM 0 H ASP A 66 -7.483 -7.753 6.965 1.00 0.75 H new ATOM 0 HA ASP A 66 -10.170 -8.287 5.870 1.00 0.92 H new ATOM 0 HB2 ASP A 66 -9.183 -9.508 7.971 1.00 1.12 H new ATOM 0 HB3 ASP A 66 -9.413 -7.981 8.801 1.00 1.12 H new ATOM 1051 N ASP A 67 -9.061 -5.492 7.073 1.00 0.77 N ATOM 1052 CA ASP A 67 -9.399 -4.084 7.260 1.00 0.81 C ATOM 1053 C ASP A 67 -9.638 -3.365 5.933 1.00 0.69 C ATOM 1054 O ASP A 67 -9.114 -3.758 4.882 1.00 0.56 O ATOM 1055 CB ASP A 67 -8.305 -3.364 8.050 1.00 0.92 C ATOM 1056 CG ASP A 67 -7.786 -4.193 9.209 1.00 1.35 C ATOM 1057 OD1 ASP A 67 -8.389 -5.247 9.502 1.00 1.85 O ATOM 1058 OD2 ASP A 67 -6.777 -3.788 9.823 1.00 1.54 O ATOM 0 H ASP A 67 -8.068 -5.709 7.159 1.00 0.77 H new ATOM 0 HA ASP A 67 -10.330 -4.057 7.826 1.00 0.81 H new ATOM 0 HB2 ASP A 67 -7.479 -3.121 7.382 1.00 0.92 H new ATOM 0 HB3 ASP A 67 -8.696 -2.420 8.429 1.00 0.92 H new ATOM 1063 N ILE A 68 -10.435 -2.298 6.009 1.00 0.83 N ATOM 1064 CA ILE A 68 -10.771 -1.480 4.848 1.00 0.78 C ATOM 1065 C ILE A 68 -10.036 -0.154 4.901 1.00 0.99 C ATOM 1066 O ILE A 68 -9.865 0.431 5.970 1.00 1.38 O ATOM 1067 CB ILE A 68 -12.283 -1.178 4.762 1.00 1.07 C ATOM 1068 CG1 ILE A 68 -13.109 -2.307 5.382 1.00 1.27 C ATOM 1069 CG2 ILE A 68 -12.687 -0.945 3.315 1.00 1.06 C ATOM 1070 CD1 ILE A 68 -13.069 -3.588 4.583 1.00 1.10 C ATOM 0 H ILE A 68 -10.864 -1.979 6.877 1.00 0.83 H new ATOM 0 HA ILE A 68 -10.472 -2.056 3.972 1.00 0.78 H new ATOM 0 HB ILE A 68 -12.485 -0.271 5.332 1.00 1.07 H new ATOM 0 HG12 ILE A 68 -12.743 -2.504 6.389 1.00 1.27 H new ATOM 0 HG13 ILE A 68 -14.144 -1.979 5.478 1.00 1.27 H new ATOM 0 HG21 ILE A 68 -13.755 -0.733 3.265 1.00 1.06 H new ATOM 0 HG22 ILE A 68 -12.130 -0.099 2.913 1.00 1.06 H new ATOM 0 HG23 ILE A 68 -12.466 -1.836 2.728 1.00 1.06 H new ATOM 0 HD11 ILE A 68 -13.675 -4.346 5.079 1.00 1.10 H new ATOM 0 HD12 ILE A 68 -13.463 -3.406 3.583 1.00 1.10 H new ATOM 0 HD13 ILE A 68 -12.040 -3.939 4.509 1.00 1.10 H new ATOM 1082 N ALA A 69 -9.610 0.320 3.744 1.00 1.00 N ATOM 1083 CA ALA A 69 -8.902 1.582 3.664 1.00 1.34 C ATOM 1084 C ALA A 69 -9.741 2.630 2.942 1.00 1.19 C ATOM 1085 O ALA A 69 -10.553 2.301 2.069 1.00 1.68 O ATOM 1086 CB ALA A 69 -7.562 1.384 2.979 1.00 2.16 C ATOM 0 H ALA A 69 -9.742 -0.150 2.849 1.00 1.00 H new ATOM 0 HA ALA A 69 -8.720 1.947 4.675 1.00 1.34 H new ATOM 0 HB1 ALA A 69 -7.037 2.338 2.923 1.00 2.16 H new ATOM 0 HB2 ALA A 69 -6.964 0.673 3.549 1.00 2.16 H new ATOM 0 HB3 ALA A 69 -7.722 0.999 1.972 1.00 2.16 H new ATOM 1092 N TYR A 70 -9.540 3.890 3.318 1.00 1.18 N ATOM 1093 CA TYR A 70 -10.271 5.005 2.725 1.00 1.38 C ATOM 1094 C TYR A 70 -9.351 5.842 1.839 1.00 1.17 C ATOM 1095 O TYR A 70 -8.153 5.954 2.100 1.00 1.21 O ATOM 1096 CB TYR A 70 -10.889 5.870 3.834 1.00 1.97 C ATOM 1097 CG TYR A 70 -11.355 7.237 3.377 1.00 2.80 C ATOM 1098 CD1 TYR A 70 -12.494 7.381 2.594 1.00 3.47 C ATOM 1099 CD2 TYR A 70 -10.655 8.381 3.734 1.00 3.17 C ATOM 1100 CE1 TYR A 70 -12.920 8.628 2.179 1.00 4.42 C ATOM 1101 CE2 TYR A 70 -11.074 9.632 3.323 1.00 4.07 C ATOM 1102 CZ TYR A 70 -12.207 9.750 2.546 1.00 4.67 C ATOM 1103 OH TYR A 70 -12.629 10.994 2.136 1.00 5.65 O ATOM 0 H TYR A 70 -8.871 4.165 4.037 1.00 1.18 H new ATOM 0 HA TYR A 70 -11.071 4.609 2.100 1.00 1.38 H new ATOM 0 HB2 TYR A 70 -11.736 5.336 4.264 1.00 1.97 H new ATOM 0 HB3 TYR A 70 -10.155 5.997 4.630 1.00 1.97 H new ATOM 0 HD1 TYR A 70 -13.055 6.504 2.305 1.00 3.47 H new ATOM 0 HD2 TYR A 70 -9.768 8.292 4.343 1.00 3.17 H new ATOM 0 HE1 TYR A 70 -13.807 8.724 1.570 1.00 4.42 H new ATOM 0 HE2 TYR A 70 -10.517 10.512 3.609 1.00 4.07 H new ATOM 0 HH TYR A 70 -12.017 11.677 2.481 1.00 5.65 H new ATOM 1113 N VAL A 71 -9.921 6.426 0.790 1.00 1.69 N ATOM 1114 CA VAL A 71 -9.154 7.250 -0.137 1.00 2.02 C ATOM 1115 C VAL A 71 -8.976 8.667 0.396 1.00 2.00 C ATOM 1116 O VAL A 71 -9.927 9.286 0.875 1.00 2.35 O ATOM 1117 CB VAL A 71 -9.829 7.321 -1.519 1.00 2.95 C ATOM 1118 CG1 VAL A 71 -8.892 7.948 -2.539 1.00 3.18 C ATOM 1119 CG2 VAL A 71 -10.271 5.938 -1.971 1.00 3.61 C ATOM 0 H VAL A 71 -10.911 6.344 0.561 1.00 1.69 H new ATOM 0 HA VAL A 71 -8.177 6.777 -0.238 1.00 2.02 H new ATOM 0 HB VAL A 71 -10.715 7.951 -1.437 1.00 2.95 H new ATOM 0 HG11 VAL A 71 -9.386 7.990 -3.510 1.00 3.18 H new ATOM 0 HG12 VAL A 71 -8.631 8.957 -2.221 1.00 3.18 H new ATOM 0 HG13 VAL A 71 -7.986 7.347 -2.619 1.00 3.18 H new ATOM 0 HG21 VAL A 71 -10.746 6.009 -2.950 1.00 3.61 H new ATOM 0 HG22 VAL A 71 -9.403 5.282 -2.036 1.00 3.61 H new ATOM 0 HG23 VAL A 71 -10.982 5.530 -1.252 1.00 3.61 H new ATOM 1129 N GLY A 72 -7.753 9.177 0.301 1.00 1.84 N ATOM 1130 CA GLY A 72 -7.470 10.520 0.770 1.00 1.87 C ATOM 1131 C GLY A 72 -6.393 10.562 1.840 1.00 1.57 C ATOM 1132 O GLY A 72 -5.865 11.630 2.150 1.00 1.63 O ATOM 0 H GLY A 72 -6.952 8.683 -0.093 1.00 1.84 H new ATOM 0 HA2 GLY A 72 -7.159 11.135 -0.074 1.00 1.87 H new ATOM 0 HA3 GLY A 72 -8.385 10.961 1.166 1.00 1.87 H new ATOM 1136 N LYS A 73 -6.067 9.404 2.410 1.00 1.31 N ATOM 1137 CA LYS A 73 -5.048 9.334 3.453 1.00 1.09 C ATOM 1138 C LYS A 73 -4.249 8.032 3.364 1.00 0.83 C ATOM 1139 O LYS A 73 -4.831 6.950 3.283 1.00 0.79 O ATOM 1140 CB LYS A 73 -5.702 9.444 4.832 1.00 1.27 C ATOM 1141 CG LYS A 73 -6.718 8.348 5.113 1.00 1.59 C ATOM 1142 CD LYS A 73 -7.309 8.483 6.507 1.00 1.98 C ATOM 1143 CE LYS A 73 -6.317 8.053 7.574 1.00 2.32 C ATOM 1144 NZ LYS A 73 -6.851 8.262 8.949 1.00 2.96 N ATOM 0 H LYS A 73 -6.490 8.508 2.169 1.00 1.31 H new ATOM 0 HA LYS A 73 -4.361 10.167 3.306 1.00 1.09 H new ATOM 0 HB2 LYS A 73 -4.926 9.413 5.597 1.00 1.27 H new ATOM 0 HB3 LYS A 73 -6.193 10.413 4.916 1.00 1.27 H new ATOM 0 HG2 LYS A 73 -7.516 8.391 4.372 1.00 1.59 H new ATOM 0 HG3 LYS A 73 -6.241 7.373 5.011 1.00 1.59 H new ATOM 0 HD2 LYS A 73 -7.605 9.518 6.679 1.00 1.98 H new ATOM 0 HD3 LYS A 73 -8.211 7.876 6.581 1.00 1.98 H new ATOM 0 HE2 LYS A 73 -6.071 7.000 7.437 1.00 2.32 H new ATOM 0 HE3 LYS A 73 -5.391 8.615 7.455 1.00 2.32 H new ATOM 0 HZ1 LYS A 73 -6.143 7.956 9.647 1.00 2.96 H new ATOM 0 HZ2 LYS A 73 -7.062 9.271 9.090 1.00 2.96 H new ATOM 0 HZ3 LYS A 73 -7.721 7.706 9.072 1.00 2.96 H new ATOM 1158 N PRO A 74 -2.902 8.110 3.391 1.00 0.75 N ATOM 1159 CA PRO A 74 -2.046 6.921 3.328 1.00 0.64 C ATOM 1160 C PRO A 74 -2.132 6.106 4.614 1.00 0.53 C ATOM 1161 O PRO A 74 -2.551 6.620 5.651 1.00 0.75 O ATOM 1162 CB PRO A 74 -0.626 7.483 3.153 1.00 0.77 C ATOM 1163 CG PRO A 74 -0.788 8.947 2.904 1.00 0.87 C ATOM 1164 CD PRO A 74 -2.107 9.342 3.503 1.00 0.91 C ATOM 0 HA PRO A 74 -2.342 6.251 2.521 1.00 0.64 H new ATOM 0 HB2 PRO A 74 -0.023 7.303 4.043 1.00 0.77 H new ATOM 0 HB3 PRO A 74 -0.116 7.000 2.320 1.00 0.77 H new ATOM 0 HG2 PRO A 74 0.028 9.510 3.358 1.00 0.87 H new ATOM 0 HG3 PRO A 74 -0.768 9.163 1.836 1.00 0.87 H new ATOM 0 HD2 PRO A 74 -2.000 9.661 4.540 1.00 0.91 H new ATOM 0 HD3 PRO A 74 -2.565 10.169 2.961 1.00 0.91 H new ATOM 1172 N LEU A 75 -1.739 4.837 4.552 1.00 0.40 N ATOM 1173 CA LEU A 75 -1.789 3.985 5.735 1.00 0.49 C ATOM 1174 C LEU A 75 -0.439 3.339 6.045 1.00 0.46 C ATOM 1175 O LEU A 75 -0.230 2.854 7.157 1.00 0.62 O ATOM 1176 CB LEU A 75 -2.873 2.908 5.596 1.00 0.64 C ATOM 1177 CG LEU A 75 -2.853 2.094 4.299 1.00 0.86 C ATOM 1178 CD1 LEU A 75 -3.230 2.968 3.112 1.00 1.84 C ATOM 1179 CD2 LEU A 75 -1.490 1.446 4.090 1.00 1.32 C ATOM 0 H LEU A 75 -1.388 4.382 3.709 1.00 0.40 H new ATOM 0 HA LEU A 75 -2.042 4.634 6.574 1.00 0.49 H new ATOM 0 HB2 LEU A 75 -2.781 2.218 6.435 1.00 0.64 H new ATOM 0 HB3 LEU A 75 -3.847 3.389 5.684 1.00 0.64 H new ATOM 0 HG LEU A 75 -3.594 1.299 4.381 1.00 0.86 H new ATOM 0 HD11 LEU A 75 -3.210 2.371 2.200 1.00 1.84 H new ATOM 0 HD12 LEU A 75 -4.232 3.371 3.260 1.00 1.84 H new ATOM 0 HD13 LEU A 75 -2.518 3.789 3.024 1.00 1.84 H new ATOM 0 HD21 LEU A 75 -1.498 0.873 3.163 1.00 1.32 H new ATOM 0 HD22 LEU A 75 -0.724 2.220 4.032 1.00 1.32 H new ATOM 0 HD23 LEU A 75 -1.271 0.781 4.926 1.00 1.32 H new ATOM 1191 N VAL A 76 0.481 3.319 5.078 1.00 0.32 N ATOM 1192 CA VAL A 76 1.788 2.707 5.326 1.00 0.29 C ATOM 1193 C VAL A 76 2.936 3.497 4.704 1.00 0.27 C ATOM 1194 O VAL A 76 2.824 4.002 3.587 1.00 0.35 O ATOM 1195 CB VAL A 76 1.839 1.262 4.798 1.00 0.36 C ATOM 1196 CG1 VAL A 76 1.685 1.239 3.289 1.00 0.37 C ATOM 1197 CG2 VAL A 76 3.136 0.584 5.210 1.00 0.47 C ATOM 0 H VAL A 76 0.353 3.707 4.143 1.00 0.32 H new ATOM 0 HA VAL A 76 1.914 2.711 6.409 1.00 0.29 H new ATOM 0 HB VAL A 76 1.009 0.710 5.238 1.00 0.36 H new ATOM 0 HG11 VAL A 76 1.724 0.209 2.935 1.00 0.37 H new ATOM 0 HG12 VAL A 76 0.727 1.681 3.014 1.00 0.37 H new ATOM 0 HG13 VAL A 76 2.493 1.810 2.832 1.00 0.37 H new ATOM 0 HG21 VAL A 76 3.151 -0.436 4.826 1.00 0.47 H new ATOM 0 HG22 VAL A 76 3.982 1.138 4.802 1.00 0.47 H new ATOM 0 HG23 VAL A 76 3.206 0.564 6.298 1.00 0.47 H new ATOM 1207 N ASP A 77 4.050 3.579 5.433 1.00 0.30 N ATOM 1208 CA ASP A 77 5.232 4.281 4.955 1.00 0.41 C ATOM 1209 C ASP A 77 6.334 3.275 4.633 1.00 0.38 C ATOM 1210 O ASP A 77 6.660 2.413 5.452 1.00 0.41 O ATOM 1211 CB ASP A 77 5.753 5.285 5.991 1.00 0.58 C ATOM 1212 CG ASP A 77 4.662 5.954 6.817 1.00 0.78 C ATOM 1213 OD1 ASP A 77 3.466 5.693 6.571 1.00 0.87 O ATOM 1214 OD2 ASP A 77 5.010 6.744 7.719 1.00 1.10 O ATOM 0 H ASP A 77 4.154 3.165 6.359 1.00 0.30 H new ATOM 0 HA ASP A 77 4.950 4.832 4.058 1.00 0.41 H new ATOM 0 HB2 ASP A 77 6.439 4.772 6.664 1.00 0.58 H new ATOM 0 HB3 ASP A 77 6.327 6.055 5.477 1.00 0.58 H new ATOM 1219 N ILE A 78 6.899 3.386 3.439 1.00 0.44 N ATOM 1220 CA ILE A 78 7.960 2.484 3.004 1.00 0.42 C ATOM 1221 C ILE A 78 9.079 3.254 2.335 1.00 0.41 C ATOM 1222 O ILE A 78 8.834 4.275 1.708 1.00 0.51 O ATOM 1223 CB ILE A 78 7.437 1.444 2.000 1.00 0.42 C ATOM 1224 CG1 ILE A 78 6.047 0.960 2.408 1.00 0.53 C ATOM 1225 CG2 ILE A 78 8.411 0.283 1.884 1.00 0.48 C ATOM 1226 CD1 ILE A 78 4.933 1.701 1.704 1.00 0.86 C ATOM 0 H ILE A 78 6.640 4.094 2.751 1.00 0.44 H new ATOM 0 HA ILE A 78 8.328 1.979 3.897 1.00 0.42 H new ATOM 0 HB ILE A 78 7.355 1.914 1.020 1.00 0.42 H new ATOM 0 HG12 ILE A 78 5.961 -0.105 2.191 1.00 0.53 H new ATOM 0 HG13 ILE A 78 5.929 1.077 3.485 1.00 0.53 H new ATOM 0 HG21 ILE A 78 8.026 -0.445 1.169 1.00 0.48 H new ATOM 0 HG22 ILE A 78 9.378 0.652 1.541 1.00 0.48 H new ATOM 0 HG23 ILE A 78 8.528 -0.192 2.858 1.00 0.48 H new ATOM 0 HD11 ILE A 78 3.971 1.312 2.036 1.00 0.86 H new ATOM 0 HD12 ILE A 78 4.996 2.763 1.941 1.00 0.86 H new ATOM 0 HD13 ILE A 78 5.028 1.563 0.627 1.00 0.86 H new ATOM 1238 N GLU A 79 10.304 2.759 2.435 1.00 0.29 N ATOM 1239 CA GLU A 79 11.414 3.438 1.790 1.00 0.29 C ATOM 1240 C GLU A 79 11.700 2.771 0.457 1.00 0.47 C ATOM 1241 O GLU A 79 12.121 1.620 0.406 1.00 0.79 O ATOM 1242 CB GLU A 79 12.658 3.401 2.679 1.00 0.62 C ATOM 1243 CG GLU A 79 13.094 4.772 3.165 1.00 0.92 C ATOM 1244 CD GLU A 79 14.484 5.144 2.687 1.00 0.96 C ATOM 1245 OE1 GLU A 79 15.462 4.801 3.383 1.00 1.39 O ATOM 1246 OE2 GLU A 79 14.593 5.778 1.616 1.00 1.09 O ATOM 0 H GLU A 79 10.550 1.910 2.944 1.00 0.29 H new ATOM 0 HA GLU A 79 11.148 4.482 1.625 1.00 0.29 H new ATOM 0 HB2 GLU A 79 12.460 2.764 3.541 1.00 0.62 H new ATOM 0 HB3 GLU A 79 13.477 2.943 2.125 1.00 0.62 H new ATOM 0 HG2 GLU A 79 12.382 5.520 2.817 1.00 0.92 H new ATOM 0 HG3 GLU A 79 13.071 4.792 4.255 1.00 0.92 H new ATOM 1253 N THR A 80 11.446 3.506 -0.616 1.00 0.64 N ATOM 1254 CA THR A 80 11.647 3.005 -1.968 1.00 1.05 C ATOM 1255 C THR A 80 12.181 4.105 -2.876 1.00 1.00 C ATOM 1256 O THR A 80 12.000 5.290 -2.596 1.00 1.22 O ATOM 1257 CB THR A 80 10.332 2.456 -2.559 1.00 1.51 C ATOM 1258 OG1 THR A 80 9.289 2.534 -1.581 1.00 2.39 O ATOM 1259 CG2 THR A 80 10.491 1.013 -3.014 1.00 1.18 C ATOM 0 H THR A 80 11.096 4.463 -0.575 1.00 0.64 H new ATOM 0 HA THR A 80 12.375 2.196 -1.910 1.00 1.05 H new ATOM 0 HB THR A 80 10.074 3.064 -3.426 1.00 1.51 H new ATOM 0 HG1 THR A 80 8.460 2.171 -1.957 1.00 2.39 H new ATOM 0 HG21 THR A 80 9.547 0.655 -3.426 1.00 1.18 H new ATOM 0 HG22 THR A 80 11.265 0.956 -3.779 1.00 1.18 H new ATOM 0 HG23 THR A 80 10.775 0.393 -2.164 1.00 1.18 H new ATOM 1267 N GLU A 81 12.829 3.716 -3.966 1.00 1.27 N ATOM 1268 CA GLU A 81 13.366 4.692 -4.901 1.00 1.30 C ATOM 1269 C GLU A 81 12.252 5.610 -5.394 1.00 1.99 C ATOM 1270 O GLU A 81 11.255 5.151 -5.953 1.00 2.56 O ATOM 1271 CB GLU A 81 14.028 3.987 -6.086 1.00 1.53 C ATOM 1272 CG GLU A 81 15.342 3.313 -5.732 1.00 1.62 C ATOM 1273 CD GLU A 81 16.304 3.261 -6.902 1.00 2.40 C ATOM 1274 OE1 GLU A 81 17.080 4.225 -7.076 1.00 2.85 O ATOM 1275 OE2 GLU A 81 16.282 2.257 -7.644 1.00 3.13 O ATOM 0 H GLU A 81 12.994 2.742 -4.222 1.00 1.27 H new ATOM 0 HA GLU A 81 14.119 5.290 -4.387 1.00 1.30 H new ATOM 0 HB2 GLU A 81 13.341 3.240 -6.484 1.00 1.53 H new ATOM 0 HB3 GLU A 81 14.204 4.714 -6.879 1.00 1.53 H new ATOM 0 HG2 GLU A 81 15.810 3.848 -4.906 1.00 1.62 H new ATOM 0 HG3 GLU A 81 15.144 2.299 -5.384 1.00 1.62 H new ATOM 1282 N ALA A 82 12.422 6.909 -5.166 1.00 2.01 N ATOM 1283 CA ALA A 82 11.430 7.905 -5.564 1.00 2.67 C ATOM 1284 C ALA A 82 10.881 7.638 -6.962 1.00 3.02 C ATOM 1285 O ALA A 82 11.619 7.667 -7.947 1.00 3.10 O ATOM 1286 CB ALA A 82 12.034 9.299 -5.496 1.00 2.85 C ATOM 0 H ALA A 82 13.243 7.299 -4.704 1.00 2.01 H new ATOM 0 HA ALA A 82 10.596 7.835 -4.866 1.00 2.67 H new ATOM 0 HB1 ALA A 82 11.287 10.034 -5.795 1.00 2.85 H new ATOM 0 HB2 ALA A 82 12.359 9.505 -4.476 1.00 2.85 H new ATOM 0 HB3 ALA A 82 12.890 9.358 -6.168 1.00 2.85 H new ATOM 1292 N LEU A 83 9.577 7.390 -7.042 1.00 3.31 N ATOM 1293 CA LEU A 83 8.930 7.130 -8.321 1.00 3.73 C ATOM 1294 C LEU A 83 8.121 8.343 -8.772 1.00 4.31 C ATOM 1295 O LEU A 83 7.601 9.098 -7.951 1.00 4.31 O ATOM 1296 CB LEU A 83 8.055 5.877 -8.253 1.00 3.56 C ATOM 1297 CG LEU A 83 8.409 4.783 -9.269 1.00 3.51 C ATOM 1298 CD1 LEU A 83 9.916 4.580 -9.342 1.00 3.49 C ATOM 1299 CD2 LEU A 83 7.723 3.475 -8.908 1.00 3.60 C ATOM 0 H LEU A 83 8.950 7.364 -6.238 1.00 3.31 H new ATOM 0 HA LEU A 83 9.708 6.948 -9.062 1.00 3.73 H new ATOM 0 HB2 LEU A 83 8.126 5.457 -7.250 1.00 3.56 H new ATOM 0 HB3 LEU A 83 7.016 6.169 -8.404 1.00 3.56 H new ATOM 0 HG LEU A 83 8.055 5.106 -10.248 1.00 3.51 H new ATOM 0 HD11 LEU A 83 10.143 3.800 -10.069 1.00 3.49 H new ATOM 0 HD12 LEU A 83 10.394 5.511 -9.647 1.00 3.49 H new ATOM 0 HD13 LEU A 83 10.291 4.284 -8.362 1.00 3.49 H new ATOM 0 HD21 LEU A 83 7.986 2.712 -9.640 1.00 3.60 H new ATOM 0 HD22 LEU A 83 8.047 3.155 -7.918 1.00 3.60 H new ATOM 0 HD23 LEU A 83 6.643 3.619 -8.907 1.00 3.60 H new ATOM 1311 N LYS A 84 8.080 8.528 -10.089 1.00 4.85 N ATOM 1312 CA LYS A 84 7.407 9.656 -10.744 1.00 5.44 C ATOM 1313 C LYS A 84 6.383 10.404 -9.877 1.00 5.34 C ATOM 1314 O LYS A 84 6.416 11.633 -9.827 1.00 5.61 O ATOM 1315 CB LYS A 84 6.720 9.160 -12.017 1.00 6.29 C ATOM 1316 CG LYS A 84 7.388 9.641 -13.295 1.00 6.80 C ATOM 1317 CD LYS A 84 6.433 9.584 -14.475 1.00 7.13 C ATOM 1318 CE LYS A 84 6.546 10.826 -15.343 1.00 7.72 C ATOM 1319 NZ LYS A 84 6.836 10.486 -16.763 1.00 8.33 N ATOM 0 H LYS A 84 8.522 7.887 -10.748 1.00 4.85 H new ATOM 0 HA LYS A 84 8.193 10.381 -10.957 1.00 5.44 H new ATOM 0 HB2 LYS A 84 6.707 8.070 -12.012 1.00 6.29 H new ATOM 0 HB3 LYS A 84 5.682 9.492 -12.012 1.00 6.29 H new ATOM 0 HG2 LYS A 84 7.741 10.663 -13.160 1.00 6.80 H new ATOM 0 HG3 LYS A 84 8.263 9.026 -13.503 1.00 6.80 H new ATOM 0 HD2 LYS A 84 6.646 8.699 -15.075 1.00 7.13 H new ATOM 0 HD3 LYS A 84 5.410 9.484 -14.112 1.00 7.13 H new ATOM 0 HE2 LYS A 84 5.617 11.393 -15.288 1.00 7.72 H new ATOM 0 HE3 LYS A 84 7.336 11.469 -14.955 1.00 7.72 H new ATOM 0 HZ1 LYS A 84 6.905 11.360 -17.322 1.00 8.33 H new ATOM 0 HZ2 LYS A 84 7.735 9.967 -16.819 1.00 8.33 H new ATOM 0 HZ3 LYS A 84 6.070 9.893 -17.141 1.00 8.33 H new ATOM 1333 N ASP A 85 5.467 9.702 -9.206 1.00 5.08 N ATOM 1334 CA ASP A 85 4.479 10.413 -8.390 1.00 5.19 C ATOM 1335 C ASP A 85 4.670 10.220 -6.888 1.00 4.88 C ATOM 1336 O ASP A 85 4.821 11.191 -6.147 1.00 5.42 O ATOM 1337 CB ASP A 85 3.067 9.969 -8.772 1.00 4.91 C ATOM 1338 CG ASP A 85 2.408 10.915 -9.757 1.00 5.75 C ATOM 1339 OD1 ASP A 85 2.582 12.142 -9.608 1.00 6.12 O ATOM 1340 OD2 ASP A 85 1.720 10.428 -10.678 1.00 6.23 O ATOM 0 H ASP A 85 5.387 8.685 -9.208 1.00 5.08 H new ATOM 0 HA ASP A 85 4.625 11.473 -8.598 1.00 5.19 H new ATOM 0 HB2 ASP A 85 3.108 8.970 -9.205 1.00 4.91 H new ATOM 0 HB3 ASP A 85 2.455 9.902 -7.873 1.00 4.91 H new ATOM 1345 N LEU A 86 4.646 8.970 -6.439 1.00 4.16 N ATOM 1346 CA LEU A 86 4.800 8.681 -5.013 1.00 3.99 C ATOM 1347 C LEU A 86 5.647 7.435 -4.747 1.00 4.35 C ATOM 1348 O LEU A 86 6.334 7.353 -3.729 1.00 4.39 O ATOM 1349 CB LEU A 86 3.418 8.507 -4.381 1.00 3.28 C ATOM 1350 CG LEU A 86 3.394 8.493 -2.853 1.00 2.93 C ATOM 1351 CD1 LEU A 86 3.953 9.793 -2.300 1.00 3.28 C ATOM 1352 CD2 LEU A 86 1.977 8.263 -2.353 1.00 2.54 C ATOM 0 H LEU A 86 4.523 8.148 -7.031 1.00 4.16 H new ATOM 0 HA LEU A 86 5.326 9.525 -4.565 1.00 3.99 H new ATOM 0 HB2 LEU A 86 2.773 9.313 -4.730 1.00 3.28 H new ATOM 0 HB3 LEU A 86 2.986 7.574 -4.743 1.00 3.28 H new ATOM 0 HG LEU A 86 4.023 7.675 -2.501 1.00 2.93 H new ATOM 0 HD11 LEU A 86 3.928 9.765 -1.211 1.00 3.28 H new ATOM 0 HD12 LEU A 86 4.982 9.919 -2.637 1.00 3.28 H new ATOM 0 HD13 LEU A 86 3.350 10.629 -2.656 1.00 3.28 H new ATOM 0 HD21 LEU A 86 1.973 8.255 -1.263 1.00 2.54 H new ATOM 0 HD22 LEU A 86 1.330 9.063 -2.713 1.00 2.54 H new ATOM 0 HD23 LEU A 86 1.611 7.306 -2.724 1.00 2.54 H new ATOM 1364 N GLU A 87 5.583 6.465 -5.654 1.00 4.90 N ATOM 1365 CA GLU A 87 6.330 5.223 -5.502 1.00 5.65 C ATOM 1366 C GLU A 87 6.009 4.267 -6.644 1.00 5.80 C ATOM 1367 O GLU A 87 5.540 4.744 -7.699 1.00 5.45 O ATOM 1368 CB GLU A 87 5.993 4.557 -4.168 1.00 6.27 C ATOM 1369 CG GLU A 87 4.512 4.260 -3.994 1.00 6.31 C ATOM 1370 CD GLU A 87 4.191 2.786 -4.152 1.00 7.17 C ATOM 1371 OE1 GLU A 87 4.381 2.030 -3.176 1.00 7.41 O ATOM 1372 OE2 GLU A 87 3.751 2.389 -5.251 1.00 7.79 O ATOM 0 H GLU A 87 5.020 6.516 -6.503 1.00 4.90 H new ATOM 0 HA GLU A 87 7.394 5.461 -5.523 1.00 5.65 H new ATOM 0 HB2 GLU A 87 6.554 3.626 -4.084 1.00 6.27 H new ATOM 0 HB3 GLU A 87 6.324 5.203 -3.355 1.00 6.27 H new ATOM 0 HG2 GLU A 87 4.192 4.594 -3.007 1.00 6.31 H new ATOM 0 HG3 GLU A 87 3.942 4.833 -4.725 1.00 6.31 H new TER 1379 GLU A 87