USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 586 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 55 THR OG1 : rot 121:sc= 0.507 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0.479 USER MOD Set 2.1: A 22 THR OG1 : rot -44:sc= 0.731 USER MOD Set 2.2: A 25 ASN : amide:sc= 0.867 K(o=1.6,f=-3.5!) USER MOD Set 3.1: A 7 THR OG1 : rot 180:sc= 0.069 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -170:sc= -0.479 (180deg=-0.853) USER MOD Single : A 1 MET N :NH3+ 171:sc= 1.29 (180deg=1.16) USER MOD Single : A 2 GLN : amide:sc= -1.17 K(o=-1.2,f=-0.0021) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 169:sc= 1.26 (180deg=0.924) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -68:sc= 0.182 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -179:sc= 1.55 (180deg=1.54) USER MOD Single : A 29 LYS NZ :NH3+ -119:sc= 0 (180deg=-0.00365) USER MOD Single : A 31 GLN : amide:sc= -0.19 K(o=-0.19,f=-0.74) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.247 K(o=-0.25,f=-0.96) USER MOD Single : A 41 GLN : amide:sc= 0.114 K(o=0.11,f=-1.7!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.015 X(o=-0.015,f=-0.25) USER MOD Single : A 59 TYR OH : rot 30:sc= 0.342 USER MOD Single : A 60 ASN : amide:sc= -0.195 K(o=-0.19,f=-2.1!) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.026) USER MOD Single : A 63 LYS NZ :NH3+ -143:sc= 1.28 (180deg=0.11) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.061) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.465 -4.618 -3.613 1.00 0.78 N ATOM 2 CA MET A 1 13.313 -5.373 -2.349 1.00 0.70 C ATOM 3 C MET A 1 11.937 -5.936 -2.248 1.00 0.62 C ATOM 4 O MET A 1 11.108 -5.659 -3.113 1.00 0.68 O ATOM 5 CB MET A 1 13.713 -4.542 -1.118 1.00 0.75 C ATOM 6 CG MET A 1 12.706 -3.464 -0.713 1.00 0.79 C ATOM 7 SD MET A 1 13.416 -2.291 0.481 1.00 1.10 S ATOM 8 CE MET A 1 11.810 -1.481 0.733 1.00 0.84 C ATOM 0 H1 MET A 1 14.370 -4.105 -3.604 1.00 0.78 H new ATOM 0 H2 MET A 1 13.449 -5.279 -4.416 1.00 0.78 H new ATOM 0 H3 MET A 1 12.683 -3.939 -3.708 1.00 0.78 H new ATOM 0 HA MET A 1 14.011 -6.210 -2.367 1.00 0.70 H new ATOM 0 HB2 MET A 1 13.860 -5.217 -0.275 1.00 0.75 H new ATOM 0 HB3 MET A 1 14.673 -4.066 -1.316 1.00 0.75 H new ATOM 0 HG2 MET A 1 12.375 -2.924 -1.600 1.00 0.79 H new ATOM 0 HG3 MET A 1 11.824 -3.935 -0.279 1.00 0.79 H new ATOM 0 HE1 MET A 1 11.950 -0.567 1.311 1.00 0.84 H new ATOM 0 HE2 MET A 1 11.371 -1.235 -0.234 1.00 0.84 H new ATOM 0 HE3 MET A 1 11.144 -2.154 1.274 1.00 0.84 H new ATOM 20 N GLN A 2 11.612 -6.844 -1.310 1.00 0.59 N ATOM 21 CA GLN A 2 10.310 -7.422 -1.186 1.00 0.56 C ATOM 22 C GLN A 2 9.643 -6.741 -0.041 1.00 0.50 C ATOM 23 O GLN A 2 10.244 -6.540 1.014 1.00 0.60 O ATOM 24 CB GLN A 2 10.364 -8.940 -0.950 1.00 0.71 C ATOM 25 CG GLN A 2 10.888 -9.797 -2.105 1.00 1.15 C ATOM 26 CD GLN A 2 10.844 -11.271 -1.729 1.00 1.30 C ATOM 27 OE1 GLN A 2 11.796 -12.031 -1.903 1.00 1.87 O ATOM 28 NE2 GLN A 2 9.673 -11.750 -1.232 1.00 1.72 N ATOM 0 H GLN A 2 12.276 -7.187 -0.616 1.00 0.59 H new ATOM 0 HA GLN A 2 9.757 -7.282 -2.114 1.00 0.56 H new ATOM 0 HB2 GLN A 2 10.989 -9.127 -0.077 1.00 0.71 H new ATOM 0 HB3 GLN A 2 9.359 -9.282 -0.701 1.00 0.71 H new ATOM 0 HG2 GLN A 2 10.287 -9.624 -2.998 1.00 1.15 H new ATOM 0 HG3 GLN A 2 11.910 -9.507 -2.348 1.00 1.15 H new ATOM 0 HE21 GLN A 2 8.884 -11.120 -1.088 1.00 1.72 H new ATOM 0 HE22 GLN A 2 9.583 -12.740 -1.003 1.00 1.72 H new ATOM 37 N ILE A 3 8.386 -6.305 -0.241 1.00 0.44 N ATOM 38 CA ILE A 3 7.560 -5.746 0.782 1.00 0.42 C ATOM 39 C ILE A 3 6.222 -6.399 0.702 1.00 0.40 C ATOM 40 O ILE A 3 6.048 -7.175 -0.236 1.00 0.50 O ATOM 41 CB ILE A 3 7.336 -4.264 0.795 1.00 0.48 C ATOM 42 CG1 ILE A 3 6.487 -3.551 -0.273 1.00 0.55 C ATOM 43 CG2 ILE A 3 8.669 -3.498 0.816 1.00 0.61 C ATOM 44 CD1 ILE A 3 5.953 -2.191 0.174 1.00 0.72 C ATOM 0 H ILE A 3 7.928 -6.344 -1.152 1.00 0.44 H new ATOM 0 HA ILE A 3 8.123 -5.938 1.696 1.00 0.42 H new ATOM 0 HB ILE A 3 6.727 -4.228 1.698 1.00 0.48 H new ATOM 0 HG12 ILE A 3 7.088 -3.418 -1.173 1.00 0.55 H new ATOM 0 HG13 ILE A 3 5.647 -4.191 -0.543 1.00 0.55 H new ATOM 0 HG21 ILE A 3 8.472 -2.426 0.825 1.00 0.61 H new ATOM 0 HG22 ILE A 3 9.232 -3.771 1.709 1.00 0.61 H new ATOM 0 HG23 ILE A 3 9.249 -3.753 -0.071 1.00 0.61 H new ATOM 0 HD11 ILE A 3 5.365 -1.749 -0.630 1.00 0.72 H new ATOM 0 HD12 ILE A 3 5.325 -2.319 1.055 1.00 0.72 H new ATOM 0 HD13 ILE A 3 6.788 -1.534 0.416 1.00 0.72 H new ATOM 56 N PHE A 4 5.305 -6.282 1.678 1.00 0.37 N ATOM 57 CA PHE A 4 3.982 -6.823 1.642 1.00 0.38 C ATOM 58 C PHE A 4 2.885 -5.836 1.849 1.00 0.39 C ATOM 59 O PHE A 4 3.083 -4.871 2.585 1.00 0.60 O ATOM 60 CB PHE A 4 3.825 -7.860 2.767 1.00 0.45 C ATOM 61 CG PHE A 4 5.028 -8.726 2.914 1.00 0.51 C ATOM 62 CD1 PHE A 4 5.328 -9.616 1.909 1.00 1.16 C ATOM 63 CD2 PHE A 4 5.688 -8.846 4.115 1.00 1.30 C ATOM 64 CE1 PHE A 4 6.311 -10.559 2.091 1.00 1.23 C ATOM 65 CE2 PHE A 4 6.695 -9.760 4.318 1.00 1.40 C ATOM 66 CZ PHE A 4 6.944 -10.658 3.307 1.00 0.85 C ATOM 0 H PHE A 4 5.499 -5.779 2.544 1.00 0.37 H new ATOM 0 HA PHE A 4 3.884 -7.234 0.637 1.00 0.38 H new ATOM 0 HB2 PHE A 4 3.635 -7.345 3.708 1.00 0.45 H new ATOM 0 HB3 PHE A 4 2.955 -8.484 2.563 1.00 0.45 H new ATOM 0 HD1 PHE A 4 4.789 -9.574 0.974 1.00 1.16 H new ATOM 0 HD2 PHE A 4 5.404 -8.197 4.930 1.00 1.30 H new ATOM 0 HE1 PHE A 4 6.585 -11.220 1.282 1.00 1.23 H new ATOM 0 HE2 PHE A 4 7.267 -9.772 5.234 1.00 1.40 H new ATOM 0 HZ PHE A 4 7.651 -11.457 3.472 1.00 0.85 H new ATOM 76 N VAL A 5 1.736 -6.124 1.212 1.00 0.35 N ATOM 77 CA VAL A 5 0.494 -5.438 1.396 1.00 0.35 C ATOM 78 C VAL A 5 -0.462 -6.549 1.663 1.00 0.35 C ATOM 79 O VAL A 5 -0.663 -7.520 0.936 1.00 0.46 O ATOM 80 CB VAL A 5 -0.059 -4.659 0.240 1.00 0.44 C ATOM 81 CG1 VAL A 5 -1.281 -3.894 0.772 1.00 0.58 C ATOM 82 CG2 VAL A 5 0.974 -3.655 -0.298 1.00 0.56 C ATOM 0 H VAL A 5 1.670 -6.879 0.529 1.00 0.35 H new ATOM 0 HA VAL A 5 0.646 -4.683 2.167 1.00 0.35 H new ATOM 0 HB VAL A 5 -0.320 -5.331 -0.577 1.00 0.44 H new ATOM 0 HG11 VAL A 5 -1.723 -3.308 -0.034 1.00 0.58 H new ATOM 0 HG12 VAL A 5 -2.017 -4.603 1.151 1.00 0.58 H new ATOM 0 HG13 VAL A 5 -0.971 -3.228 1.577 1.00 0.58 H new ATOM 0 HG21 VAL A 5 0.545 -3.105 -1.135 1.00 0.56 H new ATOM 0 HG22 VAL A 5 1.248 -2.957 0.493 1.00 0.56 H new ATOM 0 HG23 VAL A 5 1.862 -4.191 -0.633 1.00 0.56 H new ATOM 92 N LYS A 6 -1.031 -6.424 2.875 1.00 0.36 N ATOM 93 CA LYS A 6 -2.046 -7.307 3.362 1.00 0.39 C ATOM 94 C LYS A 6 -3.349 -6.586 3.422 1.00 0.46 C ATOM 95 O LYS A 6 -3.463 -5.459 3.900 1.00 0.53 O ATOM 96 CB LYS A 6 -1.579 -7.939 4.683 1.00 0.54 C ATOM 97 CG LYS A 6 -2.427 -9.150 5.077 1.00 1.22 C ATOM 98 CD LYS A 6 -1.845 -9.967 6.232 1.00 1.37 C ATOM 99 CE LYS A 6 -1.767 -9.240 7.576 1.00 1.93 C ATOM 100 NZ LYS A 6 -1.023 -9.997 8.609 1.00 2.09 N ATOM 0 H LYS A 6 -0.779 -5.689 3.535 1.00 0.36 H new ATOM 0 HA LYS A 6 -2.215 -8.143 2.684 1.00 0.39 H new ATOM 0 HB2 LYS A 6 -0.536 -8.243 4.590 1.00 0.54 H new ATOM 0 HB3 LYS A 6 -1.624 -7.193 5.476 1.00 0.54 H new ATOM 0 HG2 LYS A 6 -3.424 -8.808 5.354 1.00 1.22 H new ATOM 0 HG3 LYS A 6 -2.542 -9.798 4.208 1.00 1.22 H new ATOM 0 HD2 LYS A 6 -2.448 -10.866 6.359 1.00 1.37 H new ATOM 0 HD3 LYS A 6 -0.842 -10.292 5.955 1.00 1.37 H new ATOM 0 HE2 LYS A 6 -1.289 -8.272 7.430 1.00 1.93 H new ATOM 0 HE3 LYS A 6 -2.778 -9.046 7.935 1.00 1.93 H new ATOM 0 HZ1 LYS A 6 -1.006 -9.452 9.494 1.00 2.09 H new ATOM 0 HZ2 LYS A 6 -1.491 -10.911 8.774 1.00 2.09 H new ATOM 0 HZ3 LYS A 6 -0.048 -10.161 8.285 1.00 2.09 H new ATOM 114 N THR A 7 -4.363 -7.233 2.820 1.00 0.58 N ATOM 115 CA THR A 7 -5.725 -6.804 2.742 1.00 0.78 C ATOM 116 C THR A 7 -6.473 -7.331 3.918 1.00 0.94 C ATOM 117 O THR A 7 -6.020 -8.036 4.818 1.00 0.99 O ATOM 118 CB THR A 7 -6.364 -7.156 1.431 1.00 0.90 C ATOM 119 OG1 THR A 7 -6.565 -8.559 1.368 1.00 0.90 O ATOM 120 CG2 THR A 7 -5.351 -6.755 0.345 1.00 0.92 C ATOM 0 H THR A 7 -4.217 -8.127 2.351 1.00 0.58 H new ATOM 0 HA THR A 7 -5.755 -5.715 2.779 1.00 0.78 H new ATOM 0 HB THR A 7 -7.323 -6.654 1.305 1.00 0.90 H new ATOM 0 HG1 THR A 7 -6.984 -8.791 0.513 1.00 0.90 H new ATOM 0 HG21 THR A 7 -5.760 -6.988 -0.638 1.00 0.92 H new ATOM 0 HG22 THR A 7 -5.151 -5.686 0.411 1.00 0.92 H new ATOM 0 HG23 THR A 7 -4.423 -7.307 0.491 1.00 0.92 H new ATOM 128 N LEU A 8 -7.802 -7.121 3.926 1.00 1.17 N ATOM 129 CA LEU A 8 -8.697 -7.738 4.855 1.00 1.39 C ATOM 130 C LEU A 8 -9.322 -9.032 4.461 1.00 1.44 C ATOM 131 O LEU A 8 -10.132 -9.565 5.218 1.00 1.60 O ATOM 132 CB LEU A 8 -9.822 -6.774 5.270 1.00 1.66 C ATOM 133 CG LEU A 8 -9.392 -5.448 5.920 1.00 2.11 C ATOM 134 CD1 LEU A 8 -10.558 -4.485 6.198 1.00 2.53 C ATOM 135 CD2 LEU A 8 -8.547 -5.604 7.196 1.00 2.43 C ATOM 0 H LEU A 8 -8.269 -6.501 3.264 1.00 1.17 H new ATOM 0 HA LEU A 8 -8.026 -7.980 5.679 1.00 1.39 H new ATOM 0 HB2 LEU A 8 -10.415 -6.542 4.385 1.00 1.66 H new ATOM 0 HB3 LEU A 8 -10.478 -7.297 5.966 1.00 1.66 H new ATOM 0 HG LEU A 8 -8.754 -5.008 5.153 1.00 2.11 H new ATOM 0 HD11 LEU A 8 -10.175 -3.573 6.656 1.00 2.53 H new ATOM 0 HD12 LEU A 8 -11.057 -4.238 5.261 1.00 2.53 H new ATOM 0 HD13 LEU A 8 -11.269 -4.960 6.874 1.00 2.53 H new ATOM 0 HD21 LEU A 8 -8.290 -4.619 7.585 1.00 2.43 H new ATOM 0 HD22 LEU A 8 -9.118 -6.152 7.946 1.00 2.43 H new ATOM 0 HD23 LEU A 8 -7.634 -6.152 6.963 1.00 2.43 H new ATOM 147 N THR A 9 -8.977 -9.611 3.298 1.00 1.41 N ATOM 148 CA THR A 9 -9.431 -10.860 2.771 1.00 1.51 C ATOM 149 C THR A 9 -8.730 -11.961 3.489 1.00 1.37 C ATOM 150 O THR A 9 -9.260 -13.035 3.774 1.00 1.62 O ATOM 151 CB THR A 9 -9.400 -10.937 1.273 1.00 1.65 C ATOM 152 OG1 THR A 9 -8.096 -11.104 0.736 1.00 1.89 O ATOM 153 CG2 THR A 9 -10.155 -9.790 0.581 1.00 2.08 C ATOM 0 H THR A 9 -8.316 -9.159 2.667 1.00 1.41 H new ATOM 0 HA THR A 9 -10.498 -10.970 2.966 1.00 1.51 H new ATOM 0 HB THR A 9 -9.947 -11.851 1.044 1.00 1.65 H new ATOM 0 HG1 THR A 9 -8.148 -11.148 -0.242 1.00 1.89 H new ATOM 0 HG21 THR A 9 -10.090 -9.912 -0.500 1.00 2.08 H new ATOM 0 HG22 THR A 9 -11.201 -9.807 0.886 1.00 2.08 H new ATOM 0 HG23 THR A 9 -9.710 -8.837 0.866 1.00 2.08 H new ATOM 161 N GLY A 10 -7.485 -11.694 3.920 1.00 1.18 N ATOM 162 CA GLY A 10 -6.673 -12.635 4.627 1.00 1.22 C ATOM 163 C GLY A 10 -5.384 -12.585 3.880 1.00 0.99 C ATOM 164 O GLY A 10 -4.340 -12.884 4.457 1.00 1.31 O ATOM 0 H GLY A 10 -7.028 -10.794 3.772 1.00 1.18 H new ATOM 0 HA2 GLY A 10 -6.546 -12.354 5.673 1.00 1.22 H new ATOM 0 HA3 GLY A 10 -7.109 -13.634 4.616 1.00 1.22 H new ATOM 168 N LYS A 11 -5.446 -12.281 2.572 1.00 0.73 N ATOM 169 CA LYS A 11 -4.368 -12.356 1.635 1.00 0.60 C ATOM 170 C LYS A 11 -3.212 -11.449 1.881 1.00 0.51 C ATOM 171 O LYS A 11 -3.360 -10.229 1.914 1.00 0.63 O ATOM 172 CB LYS A 11 -4.906 -12.099 0.217 1.00 0.75 C ATOM 173 CG LYS A 11 -3.965 -12.231 -0.982 1.00 0.87 C ATOM 174 CD LYS A 11 -4.676 -12.140 -2.334 1.00 1.04 C ATOM 175 CE LYS A 11 -3.829 -12.531 -3.546 1.00 1.30 C ATOM 176 NZ LYS A 11 -4.678 -12.263 -4.729 1.00 1.40 N ATOM 0 H LYS A 11 -6.312 -11.960 2.139 1.00 0.73 H new ATOM 0 HA LYS A 11 -3.970 -13.363 1.759 1.00 0.60 H new ATOM 0 HB2 LYS A 11 -5.739 -12.783 0.055 1.00 0.75 H new ATOM 0 HB3 LYS A 11 -5.315 -11.089 0.201 1.00 0.75 H new ATOM 0 HG2 LYS A 11 -3.208 -11.449 -0.926 1.00 0.87 H new ATOM 0 HG3 LYS A 11 -3.443 -13.186 -0.920 1.00 0.87 H new ATOM 0 HD2 LYS A 11 -5.558 -12.780 -2.306 1.00 1.04 H new ATOM 0 HD3 LYS A 11 -5.029 -11.118 -2.472 1.00 1.04 H new ATOM 0 HE2 LYS A 11 -2.908 -11.949 -3.585 1.00 1.30 H new ATOM 0 HE3 LYS A 11 -3.541 -13.581 -3.500 1.00 1.30 H new ATOM 0 HZ1 LYS A 11 -4.102 -12.330 -5.592 1.00 1.40 H new ATOM 0 HZ2 LYS A 11 -5.446 -12.962 -4.770 1.00 1.40 H new ATOM 0 HZ3 LYS A 11 -5.083 -11.308 -4.657 1.00 1.40 H new ATOM 190 N THR A 12 -2.012 -12.054 1.830 1.00 0.49 N ATOM 191 CA THR A 12 -0.773 -11.339 1.812 1.00 0.48 C ATOM 192 C THR A 12 -0.248 -11.318 0.417 1.00 0.52 C ATOM 193 O THR A 12 0.108 -12.367 -0.117 1.00 0.72 O ATOM 194 CB THR A 12 0.317 -11.873 2.694 1.00 0.64 C ATOM 195 OG1 THR A 12 -0.096 -11.909 4.051 1.00 0.77 O ATOM 196 CG2 THR A 12 1.679 -11.158 2.703 1.00 0.78 C ATOM 0 H THR A 12 -1.900 -13.067 1.800 1.00 0.49 H new ATOM 0 HA THR A 12 -1.022 -10.353 2.205 1.00 0.48 H new ATOM 0 HB THR A 12 0.479 -12.848 2.235 1.00 0.64 H new ATOM 0 HG1 THR A 12 0.631 -12.262 4.605 1.00 0.77 H new ATOM 0 HG21 THR A 12 2.353 -11.668 3.391 1.00 0.78 H new ATOM 0 HG22 THR A 12 2.105 -11.173 1.700 1.00 0.78 H new ATOM 0 HG23 THR A 12 1.546 -10.125 3.025 1.00 0.78 H new ATOM 204 N ILE A 13 -0.095 -10.147 -0.225 1.00 0.48 N ATOM 205 CA ILE A 13 0.335 -9.905 -1.567 1.00 0.55 C ATOM 206 C ILE A 13 1.745 -9.432 -1.474 1.00 0.51 C ATOM 207 O ILE A 13 1.961 -8.311 -1.016 1.00 0.56 O ATOM 208 CB ILE A 13 -0.283 -8.840 -2.421 1.00 0.69 C ATOM 209 CG1 ILE A 13 -1.792 -8.898 -2.132 1.00 1.15 C ATOM 210 CG2 ILE A 13 0.069 -9.026 -3.906 1.00 1.13 C ATOM 211 CD1 ILE A 13 -2.558 -7.813 -2.887 1.00 1.55 C ATOM 0 H ILE A 13 -0.297 -9.270 0.255 1.00 0.48 H new ATOM 0 HA ILE A 13 0.078 -10.852 -2.042 1.00 0.55 H new ATOM 0 HB ILE A 13 0.105 -7.849 -2.184 1.00 0.69 H new ATOM 0 HG12 ILE A 13 -2.178 -9.878 -2.413 1.00 1.15 H new ATOM 0 HG13 ILE A 13 -1.961 -8.784 -1.061 1.00 1.15 H new ATOM 0 HG21 ILE A 13 -0.398 -8.234 -4.492 1.00 1.13 H new ATOM 0 HG22 ILE A 13 1.151 -8.981 -4.032 1.00 1.13 H new ATOM 0 HG23 ILE A 13 -0.296 -9.994 -4.248 1.00 1.13 H new ATOM 0 HD11 ILE A 13 -3.620 -7.889 -2.655 1.00 1.55 H new ATOM 0 HD12 ILE A 13 -2.190 -6.832 -2.586 1.00 1.55 H new ATOM 0 HD13 ILE A 13 -2.411 -7.943 -3.959 1.00 1.55 H new ATOM 223 N THR A 14 2.704 -10.267 -1.913 1.00 0.55 N ATOM 224 CA THR A 14 4.088 -9.909 -1.924 1.00 0.54 C ATOM 225 C THR A 14 4.407 -9.124 -3.150 1.00 0.55 C ATOM 226 O THR A 14 4.212 -9.561 -4.284 1.00 0.72 O ATOM 227 CB THR A 14 5.064 -11.046 -1.911 1.00 0.67 C ATOM 228 OG1 THR A 14 4.879 -11.919 -0.806 1.00 1.08 O ATOM 229 CG2 THR A 14 6.539 -10.618 -1.826 1.00 1.03 C ATOM 0 H THR A 14 2.515 -11.205 -2.266 1.00 0.55 H new ATOM 0 HA THR A 14 4.206 -9.353 -0.994 1.00 0.54 H new ATOM 0 HB THR A 14 4.859 -11.534 -2.864 1.00 0.67 H new ATOM 0 HG1 THR A 14 5.117 -11.453 0.023 1.00 1.08 H new ATOM 0 HG21 THR A 14 7.175 -11.503 -1.822 1.00 1.03 H new ATOM 0 HG22 THR A 14 6.788 -9.996 -2.686 1.00 1.03 H new ATOM 0 HG23 THR A 14 6.701 -10.051 -0.910 1.00 1.03 H new ATOM 237 N LEU A 15 5.102 -7.983 -3.001 1.00 0.50 N ATOM 238 CA LEU A 15 5.374 -7.123 -4.111 1.00 0.55 C ATOM 239 C LEU A 15 6.809 -6.724 -4.063 1.00 0.52 C ATOM 240 O LEU A 15 7.320 -6.412 -2.989 1.00 0.58 O ATOM 241 CB LEU A 15 4.457 -5.889 -4.093 1.00 0.69 C ATOM 242 CG LEU A 15 2.985 -6.138 -4.461 1.00 0.76 C ATOM 243 CD1 LEU A 15 2.227 -4.821 -4.229 1.00 1.38 C ATOM 244 CD2 LEU A 15 2.936 -6.589 -5.931 1.00 1.55 C ATOM 0 H LEU A 15 5.476 -7.655 -2.111 1.00 0.50 H new ATOM 0 HA LEU A 15 5.174 -7.655 -5.041 1.00 0.55 H new ATOM 0 HB2 LEU A 15 4.492 -5.449 -3.096 1.00 0.69 H new ATOM 0 HB3 LEU A 15 4.863 -5.149 -4.783 1.00 0.69 H new ATOM 0 HG LEU A 15 2.521 -6.916 -3.855 1.00 0.76 H new ATOM 0 HD11 LEU A 15 1.175 -4.958 -4.480 1.00 1.38 H new ATOM 0 HD12 LEU A 15 2.316 -4.530 -3.182 1.00 1.38 H new ATOM 0 HD13 LEU A 15 2.652 -4.040 -4.860 1.00 1.38 H new ATOM 0 HD21 LEU A 15 1.902 -6.773 -6.221 1.00 1.55 H new ATOM 0 HD22 LEU A 15 3.357 -5.809 -6.565 1.00 1.55 H new ATOM 0 HD23 LEU A 15 3.515 -7.505 -6.050 1.00 1.55 H new ATOM 256 N GLU A 16 7.486 -6.655 -5.224 1.00 0.59 N ATOM 257 CA GLU A 16 8.820 -6.193 -5.450 1.00 0.63 C ATOM 258 C GLU A 16 8.791 -4.710 -5.594 1.00 0.65 C ATOM 259 O GLU A 16 8.074 -4.142 -6.416 1.00 0.81 O ATOM 260 CB GLU A 16 9.407 -6.848 -6.711 1.00 0.76 C ATOM 261 CG GLU A 16 9.579 -8.362 -6.570 1.00 1.41 C ATOM 262 CD GLU A 16 10.269 -8.918 -7.807 1.00 1.52 C ATOM 263 OE1 GLU A 16 9.586 -9.116 -8.848 1.00 1.92 O ATOM 264 OE2 GLU A 16 11.492 -9.218 -7.782 1.00 1.95 O ATOM 0 H GLU A 16 7.049 -6.956 -6.095 1.00 0.59 H new ATOM 0 HA GLU A 16 9.454 -6.466 -4.607 1.00 0.63 H new ATOM 0 HB2 GLU A 16 8.756 -6.639 -7.560 1.00 0.76 H new ATOM 0 HB3 GLU A 16 10.374 -6.396 -6.932 1.00 0.76 H new ATOM 0 HG2 GLU A 16 10.167 -8.590 -5.681 1.00 1.41 H new ATOM 0 HG3 GLU A 16 8.607 -8.837 -6.440 1.00 1.41 H new ATOM 271 N VAL A 17 9.560 -3.956 -4.788 1.00 0.61 N ATOM 272 CA VAL A 17 9.548 -2.527 -4.797 1.00 0.63 C ATOM 273 C VAL A 17 10.912 -1.927 -4.784 1.00 0.65 C ATOM 274 O VAL A 17 11.800 -2.500 -4.156 1.00 0.76 O ATOM 275 CB VAL A 17 8.641 -1.788 -3.858 1.00 0.70 C ATOM 276 CG1 VAL A 17 7.213 -2.359 -3.881 1.00 0.96 C ATOM 277 CG2 VAL A 17 9.247 -2.049 -2.469 1.00 0.92 C ATOM 0 H VAL A 17 10.210 -4.353 -4.110 1.00 0.61 H new ATOM 0 HA VAL A 17 9.067 -2.369 -5.762 1.00 0.63 H new ATOM 0 HB VAL A 17 8.569 -0.734 -4.126 1.00 0.70 H new ATOM 0 HG11 VAL A 17 6.586 -1.798 -3.188 1.00 0.96 H new ATOM 0 HG12 VAL A 17 6.805 -2.277 -4.888 1.00 0.96 H new ATOM 0 HG13 VAL A 17 7.235 -3.407 -3.583 1.00 0.96 H new ATOM 0 HG21 VAL A 17 8.648 -1.545 -1.710 1.00 0.92 H new ATOM 0 HG22 VAL A 17 9.256 -3.121 -2.271 1.00 0.92 H new ATOM 0 HG23 VAL A 17 10.267 -1.666 -2.439 1.00 0.92 H new ATOM 287 N GLU A 18 11.100 -0.742 -5.392 1.00 0.68 N ATOM 288 CA GLU A 18 12.277 0.037 -5.163 1.00 0.74 C ATOM 289 C GLU A 18 11.903 1.013 -4.102 1.00 0.71 C ATOM 290 O GLU A 18 10.775 1.493 -4.205 1.00 0.74 O ATOM 291 CB GLU A 18 12.705 0.795 -6.430 1.00 0.88 C ATOM 292 CG GLU A 18 14.103 1.414 -6.359 1.00 1.16 C ATOM 293 CD GLU A 18 15.224 0.384 -6.375 1.00 1.71 C ATOM 294 OE1 GLU A 18 15.633 0.023 -7.511 1.00 2.35 O ATOM 295 OE2 GLU A 18 15.678 -0.079 -5.295 1.00 2.33 O ATOM 0 H GLU A 18 10.436 -0.323 -6.043 1.00 0.68 H new ATOM 0 HA GLU A 18 13.115 -0.599 -4.877 1.00 0.74 H new ATOM 0 HB2 GLU A 18 12.667 0.110 -7.277 1.00 0.88 H new ATOM 0 HB3 GLU A 18 11.981 1.586 -6.627 1.00 0.88 H new ATOM 0 HG2 GLU A 18 14.234 2.095 -7.200 1.00 1.16 H new ATOM 0 HG3 GLU A 18 14.182 2.011 -5.451 1.00 1.16 H new ATOM 302 N PRO A 19 12.656 1.415 -3.121 1.00 0.74 N ATOM 303 CA PRO A 19 12.009 2.148 -2.071 1.00 0.74 C ATOM 304 C PRO A 19 11.838 3.584 -2.432 1.00 0.70 C ATOM 305 O PRO A 19 11.235 4.386 -1.723 1.00 0.74 O ATOM 306 CB PRO A 19 12.998 2.108 -0.908 1.00 0.86 C ATOM 307 CG PRO A 19 14.143 1.145 -1.259 1.00 0.95 C ATOM 308 CD PRO A 19 13.573 0.463 -2.514 1.00 0.82 C ATOM 0 HA PRO A 19 11.028 1.723 -1.859 1.00 0.74 H new ATOM 0 HB2 PRO A 19 13.391 3.106 -0.714 1.00 0.86 H new ATOM 0 HB3 PRO A 19 12.496 1.780 0.002 1.00 0.86 H new ATOM 0 HG2 PRO A 19 15.077 1.670 -1.462 1.00 0.95 H new ATOM 0 HG3 PRO A 19 14.345 0.434 -0.458 1.00 0.95 H new ATOM 0 HD2 PRO A 19 14.371 0.197 -3.207 1.00 0.82 H new ATOM 0 HD3 PRO A 19 13.057 -0.461 -2.253 1.00 0.82 H new ATOM 316 N SER A 20 12.577 4.007 -3.473 1.00 0.70 N ATOM 317 CA SER A 20 12.490 5.314 -4.049 1.00 0.74 C ATOM 318 C SER A 20 11.240 5.555 -4.824 1.00 0.71 C ATOM 319 O SER A 20 10.976 6.693 -5.207 1.00 0.80 O ATOM 320 CB SER A 20 13.604 5.629 -5.061 1.00 0.89 C ATOM 321 OG SER A 20 14.894 5.475 -4.488 1.00 1.45 O ATOM 0 H SER A 20 13.266 3.412 -3.934 1.00 0.70 H new ATOM 0 HA SER A 20 12.551 5.941 -3.160 1.00 0.74 H new ATOM 0 HB2 SER A 20 13.508 4.970 -5.924 1.00 0.89 H new ATOM 0 HB3 SER A 20 13.487 6.650 -5.425 1.00 0.89 H new ATOM 0 HG SER A 20 15.577 5.682 -5.160 1.00 1.45 H new ATOM 327 N ASP A 21 10.447 4.509 -5.121 1.00 0.70 N ATOM 328 CA ASP A 21 9.194 4.559 -5.807 1.00 0.73 C ATOM 329 C ASP A 21 8.140 5.245 -5.007 1.00 0.64 C ATOM 330 O ASP A 21 8.227 5.489 -3.805 1.00 0.66 O ATOM 331 CB ASP A 21 8.769 3.148 -6.247 1.00 0.87 C ATOM 332 CG ASP A 21 9.324 2.665 -7.579 1.00 1.05 C ATOM 333 OD1 ASP A 21 10.249 3.303 -8.149 1.00 1.50 O ATOM 334 OD2 ASP A 21 8.800 1.622 -8.052 1.00 1.69 O ATOM 0 H ASP A 21 10.704 3.557 -4.861 1.00 0.70 H new ATOM 0 HA ASP A 21 9.325 5.164 -6.704 1.00 0.73 H new ATOM 0 HB2 ASP A 21 9.071 2.442 -5.473 1.00 0.87 H new ATOM 0 HB3 ASP A 21 7.681 3.118 -6.298 1.00 0.87 H new ATOM 339 N THR A 22 7.084 5.732 -5.682 1.00 0.63 N ATOM 340 CA THR A 22 6.067 6.443 -4.972 1.00 0.58 C ATOM 341 C THR A 22 5.063 5.471 -4.455 1.00 0.53 C ATOM 342 O THR A 22 5.022 4.296 -4.817 1.00 0.58 O ATOM 343 CB THR A 22 5.426 7.594 -5.690 1.00 0.63 C ATOM 344 OG1 THR A 22 4.674 7.273 -6.850 1.00 0.70 O ATOM 345 CG2 THR A 22 6.393 8.719 -6.099 1.00 0.75 C ATOM 0 H THR A 22 6.935 5.639 -6.687 1.00 0.63 H new ATOM 0 HA THR A 22 6.577 6.944 -4.149 1.00 0.58 H new ATOM 0 HB THR A 22 4.746 7.933 -4.908 1.00 0.63 H new ATOM 0 HG1 THR A 22 5.171 6.626 -7.393 1.00 0.70 H new ATOM 0 HG21 THR A 22 5.840 9.506 -6.611 1.00 0.75 H new ATOM 0 HG22 THR A 22 6.870 9.130 -5.209 1.00 0.75 H new ATOM 0 HG23 THR A 22 7.156 8.318 -6.767 1.00 0.75 H new ATOM 353 N ILE A 23 4.017 5.855 -3.701 1.00 0.51 N ATOM 354 CA ILE A 23 2.915 5.040 -3.296 1.00 0.48 C ATOM 355 C ILE A 23 1.816 4.929 -4.296 1.00 0.48 C ATOM 356 O ILE A 23 1.240 3.843 -4.326 1.00 0.51 O ATOM 357 CB ILE A 23 2.510 5.471 -1.917 1.00 0.52 C ATOM 358 CG1 ILE A 23 3.447 5.036 -0.778 1.00 0.60 C ATOM 359 CG2 ILE A 23 1.062 5.088 -1.571 1.00 0.61 C ATOM 360 CD1 ILE A 23 3.685 6.144 0.246 1.00 0.73 C ATOM 0 H ILE A 23 3.938 6.809 -3.349 1.00 0.51 H new ATOM 0 HA ILE A 23 3.230 3.998 -3.249 1.00 0.48 H new ATOM 0 HB ILE A 23 2.593 6.556 -1.979 1.00 0.52 H new ATOM 0 HG12 ILE A 23 3.022 4.167 -0.275 1.00 0.60 H new ATOM 0 HG13 ILE A 23 4.403 4.724 -1.199 1.00 0.60 H new ATOM 0 HG21 ILE A 23 0.828 5.426 -0.562 1.00 0.61 H new ATOM 0 HG22 ILE A 23 0.381 5.561 -2.279 1.00 0.61 H new ATOM 0 HG23 ILE A 23 0.949 4.005 -1.626 1.00 0.61 H new ATOM 0 HD11 ILE A 23 4.353 5.781 1.027 1.00 0.73 H new ATOM 0 HD12 ILE A 23 4.137 7.004 -0.247 1.00 0.73 H new ATOM 0 HD13 ILE A 23 2.734 6.439 0.691 1.00 0.73 H new ATOM 372 N GLU A 24 1.667 5.902 -5.213 1.00 0.50 N ATOM 373 CA GLU A 24 0.903 5.757 -6.413 1.00 0.53 C ATOM 374 C GLU A 24 1.400 4.748 -7.390 1.00 0.50 C ATOM 375 O GLU A 24 0.544 4.079 -7.967 1.00 0.55 O ATOM 376 CB GLU A 24 1.002 7.097 -7.161 1.00 0.64 C ATOM 377 CG GLU A 24 0.379 7.128 -8.558 1.00 0.95 C ATOM 378 CD GLU A 24 0.414 8.439 -9.331 1.00 1.05 C ATOM 379 OE1 GLU A 24 1.558 8.912 -9.569 1.00 1.62 O ATOM 380 OE2 GLU A 24 -0.647 8.968 -9.758 1.00 1.56 O ATOM 0 H GLU A 24 2.094 6.823 -5.115 1.00 0.50 H new ATOM 0 HA GLU A 24 -0.090 5.442 -6.090 1.00 0.53 H new ATOM 0 HB2 GLU A 24 0.525 7.866 -6.554 1.00 0.64 H new ATOM 0 HB3 GLU A 24 2.055 7.366 -7.247 1.00 0.64 H new ATOM 0 HG2 GLU A 24 0.879 6.371 -9.163 1.00 0.95 H new ATOM 0 HG3 GLU A 24 -0.664 6.824 -8.465 1.00 0.95 H new ATOM 387 N ASN A 25 2.705 4.438 -7.468 1.00 0.51 N ATOM 388 CA ASN A 25 3.135 3.374 -8.322 1.00 0.52 C ATOM 389 C ASN A 25 2.781 2.038 -7.766 1.00 0.47 C ATOM 390 O ASN A 25 2.419 1.129 -8.512 1.00 0.53 O ATOM 391 CB ASN A 25 4.654 3.349 -8.565 1.00 0.64 C ATOM 392 CG ASN A 25 5.217 4.631 -9.162 1.00 1.23 C ATOM 393 OD1 ASN A 25 6.010 5.392 -8.611 1.00 2.13 O ATOM 394 ND2 ASN A 25 4.888 4.875 -10.460 1.00 1.57 N ATOM 0 H ASN A 25 3.448 4.910 -6.954 1.00 0.51 H new ATOM 0 HA ASN A 25 2.616 3.570 -9.260 1.00 0.52 H new ATOM 0 HB2 ASN A 25 5.158 3.152 -7.619 1.00 0.64 H new ATOM 0 HB3 ASN A 25 4.889 2.519 -9.231 1.00 0.64 H new ATOM 0 HD21 ASN A 25 5.297 5.672 -10.949 1.00 1.57 H new ATOM 0 HD22 ASN A 25 4.233 4.261 -10.944 1.00 1.57 H new ATOM 401 N VAL A 26 2.836 1.843 -6.436 1.00 0.45 N ATOM 402 CA VAL A 26 2.476 0.677 -5.692 1.00 0.44 C ATOM 403 C VAL A 26 1.035 0.310 -5.789 1.00 0.40 C ATOM 404 O VAL A 26 0.681 -0.842 -6.033 1.00 0.44 O ATOM 405 CB VAL A 26 2.940 0.672 -4.266 1.00 0.50 C ATOM 406 CG1 VAL A 26 2.606 -0.711 -3.684 1.00 0.60 C ATOM 407 CG2 VAL A 26 4.449 0.972 -4.248 1.00 0.62 C ATOM 0 H VAL A 26 3.169 2.584 -5.819 1.00 0.45 H new ATOM 0 HA VAL A 26 3.038 -0.108 -6.198 1.00 0.44 H new ATOM 0 HB VAL A 26 2.448 1.432 -3.659 1.00 0.50 H new ATOM 0 HG11 VAL A 26 2.929 -0.756 -2.644 1.00 0.60 H new ATOM 0 HG12 VAL A 26 1.530 -0.878 -3.737 1.00 0.60 H new ATOM 0 HG13 VAL A 26 3.122 -1.481 -4.257 1.00 0.60 H new ATOM 0 HG21 VAL A 26 4.807 0.973 -3.219 1.00 0.62 H new ATOM 0 HG22 VAL A 26 4.979 0.207 -4.816 1.00 0.62 H new ATOM 0 HG23 VAL A 26 4.631 1.949 -4.697 1.00 0.62 H new ATOM 417 N LYS A 27 0.134 1.287 -5.585 1.00 0.40 N ATOM 418 CA LYS A 27 -1.284 1.150 -5.707 1.00 0.41 C ATOM 419 C LYS A 27 -1.800 0.693 -7.029 1.00 0.38 C ATOM 420 O LYS A 27 -2.758 -0.069 -7.146 1.00 0.42 O ATOM 421 CB LYS A 27 -1.915 2.481 -5.264 1.00 0.51 C ATOM 422 CG LYS A 27 -1.733 2.775 -3.774 1.00 0.76 C ATOM 423 CD LYS A 27 -2.585 3.970 -3.341 1.00 0.82 C ATOM 424 CE LYS A 27 -2.585 4.156 -1.822 1.00 1.22 C ATOM 425 NZ LYS A 27 -3.390 5.371 -1.570 1.00 1.11 N ATOM 0 H LYS A 27 0.414 2.231 -5.318 1.00 0.40 H new ATOM 0 HA LYS A 27 -1.581 0.325 -5.060 1.00 0.41 H new ATOM 0 HB2 LYS A 27 -1.475 3.293 -5.843 1.00 0.51 H new ATOM 0 HB3 LYS A 27 -2.980 2.464 -5.496 1.00 0.51 H new ATOM 0 HG2 LYS A 27 -2.009 1.897 -3.190 1.00 0.76 H new ATOM 0 HG3 LYS A 27 -0.683 2.979 -3.566 1.00 0.76 H new ATOM 0 HD2 LYS A 27 -2.208 4.875 -3.817 1.00 0.82 H new ATOM 0 HD3 LYS A 27 -3.609 3.830 -3.689 1.00 0.82 H new ATOM 0 HE2 LYS A 27 -3.016 3.289 -1.321 1.00 1.22 H new ATOM 0 HE3 LYS A 27 -1.570 4.272 -1.441 1.00 1.22 H new ATOM 0 HZ1 LYS A 27 -3.416 5.565 -0.549 1.00 1.11 H new ATOM 0 HZ2 LYS A 27 -2.962 6.180 -2.065 1.00 1.11 H new ATOM 0 HZ3 LYS A 27 -4.359 5.224 -1.919 1.00 1.11 H new ATOM 439 N ALA A 28 -1.124 1.097 -8.119 1.00 0.39 N ATOM 440 CA ALA A 28 -1.444 0.511 -9.384 1.00 0.39 C ATOM 441 C ALA A 28 -1.197 -0.953 -9.513 1.00 0.36 C ATOM 442 O ALA A 28 -1.905 -1.630 -10.256 1.00 0.42 O ATOM 443 CB ALA A 28 -0.533 1.241 -10.385 1.00 0.51 C ATOM 0 H ALA A 28 -0.385 1.800 -8.130 1.00 0.39 H new ATOM 0 HA ALA A 28 -2.517 0.618 -9.544 1.00 0.39 H new ATOM 0 HB1 ALA A 28 -0.711 0.854 -11.388 1.00 0.51 H new ATOM 0 HB2 ALA A 28 -0.751 2.309 -10.364 1.00 0.51 H new ATOM 0 HB3 ALA A 28 0.510 1.079 -10.113 1.00 0.51 H new ATOM 449 N LYS A 29 -0.278 -1.493 -8.692 1.00 0.39 N ATOM 450 CA LYS A 29 -0.068 -2.905 -8.626 1.00 0.43 C ATOM 451 C LYS A 29 -1.127 -3.700 -7.943 1.00 0.44 C ATOM 452 O LYS A 29 -1.476 -4.845 -8.225 1.00 0.54 O ATOM 453 CB LYS A 29 1.329 -3.238 -8.077 1.00 0.54 C ATOM 454 CG LYS A 29 2.528 -2.680 -8.848 1.00 0.65 C ATOM 455 CD LYS A 29 3.793 -2.891 -8.013 1.00 1.08 C ATOM 456 CE LYS A 29 5.163 -2.564 -8.608 1.00 1.24 C ATOM 457 NZ LYS A 29 5.157 -1.092 -8.759 1.00 1.44 N ATOM 0 H LYS A 29 0.321 -0.949 -8.072 1.00 0.39 H new ATOM 0 HA LYS A 29 -0.137 -3.226 -9.665 1.00 0.43 H new ATOM 0 HB2 LYS A 29 1.386 -2.874 -7.051 1.00 0.54 H new ATOM 0 HB3 LYS A 29 1.427 -4.323 -8.036 1.00 0.54 H new ATOM 0 HG2 LYS A 29 2.624 -3.181 -9.811 1.00 0.65 H new ATOM 0 HG3 LYS A 29 2.384 -1.619 -9.054 1.00 0.65 H new ATOM 0 HD2 LYS A 29 3.684 -2.299 -7.104 1.00 1.08 H new ATOM 0 HD3 LYS A 29 3.812 -3.938 -7.711 1.00 1.08 H new ATOM 0 HE2 LYS A 29 5.970 -2.893 -7.953 1.00 1.24 H new ATOM 0 HE3 LYS A 29 5.309 -3.061 -9.567 1.00 1.24 H new ATOM 0 HZ1 LYS A 29 5.272 -0.846 -9.763 1.00 1.44 H new ATOM 0 HZ2 LYS A 29 4.254 -0.711 -8.410 1.00 1.44 H new ATOM 0 HZ3 LYS A 29 5.940 -0.684 -8.210 1.00 1.44 H new ATOM 471 N ILE A 30 -1.773 -3.079 -6.939 1.00 0.41 N ATOM 472 CA ILE A 30 -2.949 -3.562 -6.287 1.00 0.44 C ATOM 473 C ILE A 30 -4.053 -3.488 -7.285 1.00 0.45 C ATOM 474 O ILE A 30 -4.885 -4.386 -7.407 1.00 0.56 O ATOM 475 CB ILE A 30 -3.306 -2.885 -4.998 1.00 0.45 C ATOM 476 CG1 ILE A 30 -2.132 -2.819 -4.006 1.00 0.52 C ATOM 477 CG2 ILE A 30 -4.594 -3.501 -4.426 1.00 0.56 C ATOM 478 CD1 ILE A 30 -1.609 -4.187 -3.573 1.00 1.32 C ATOM 0 H ILE A 30 -1.454 -2.187 -6.561 1.00 0.41 H new ATOM 0 HA ILE A 30 -2.759 -4.585 -5.962 1.00 0.44 H new ATOM 0 HB ILE A 30 -3.519 -1.835 -5.201 1.00 0.45 H new ATOM 0 HG12 ILE A 30 -1.316 -2.257 -4.461 1.00 0.52 H new ATOM 0 HG13 ILE A 30 -2.447 -2.265 -3.122 1.00 0.52 H new ATOM 0 HG21 ILE A 30 -4.849 -3.006 -3.489 1.00 0.56 H new ATOM 0 HG22 ILE A 30 -5.408 -3.370 -5.139 1.00 0.56 H new ATOM 0 HG23 ILE A 30 -4.439 -4.564 -4.244 1.00 0.56 H new ATOM 0 HD11 ILE A 30 -0.783 -4.056 -2.874 1.00 1.32 H new ATOM 0 HD12 ILE A 30 -2.409 -4.746 -3.088 1.00 1.32 H new ATOM 0 HD13 ILE A 30 -1.261 -4.737 -4.447 1.00 1.32 H new ATOM 490 N GLN A 31 -3.962 -2.551 -8.245 1.00 0.41 N ATOM 491 CA GLN A 31 -4.904 -2.542 -9.321 1.00 0.48 C ATOM 492 C GLN A 31 -4.692 -3.674 -10.267 1.00 0.52 C ATOM 493 O GLN A 31 -5.649 -4.353 -10.635 1.00 0.66 O ATOM 494 CB GLN A 31 -4.906 -1.197 -10.065 1.00 0.52 C ATOM 495 CG GLN A 31 -6.163 -0.921 -10.894 1.00 0.70 C ATOM 496 CD GLN A 31 -5.962 0.383 -11.653 1.00 0.97 C ATOM 497 OE1 GLN A 31 -4.895 0.874 -12.019 1.00 1.70 O ATOM 498 NE2 GLN A 31 -7.158 0.909 -12.028 1.00 1.43 N ATOM 0 H GLN A 31 -3.255 -1.816 -8.279 1.00 0.41 H new ATOM 0 HA GLN A 31 -5.887 -2.676 -8.870 1.00 0.48 H new ATOM 0 HB2 GLN A 31 -4.786 -0.395 -9.337 1.00 0.52 H new ATOM 0 HB3 GLN A 31 -4.039 -1.162 -10.724 1.00 0.52 H new ATOM 0 HG2 GLN A 31 -6.346 -1.740 -11.589 1.00 0.70 H new ATOM 0 HG3 GLN A 31 -7.037 -0.852 -10.246 1.00 0.70 H new ATOM 0 HE21 GLN A 31 -8.026 0.480 -11.709 1.00 1.43 H new ATOM 0 HE22 GLN A 31 -7.187 1.733 -12.629 1.00 1.43 H new ATOM 507 N ASP A 32 -3.432 -4.033 -10.569 1.00 0.50 N ATOM 508 CA ASP A 32 -3.074 -5.198 -11.319 1.00 0.60 C ATOM 509 C ASP A 32 -3.412 -6.533 -10.751 1.00 0.65 C ATOM 510 O ASP A 32 -3.907 -7.328 -11.548 1.00 0.81 O ATOM 511 CB ASP A 32 -1.570 -5.138 -11.637 1.00 0.67 C ATOM 512 CG ASP A 32 -1.065 -6.272 -12.517 1.00 0.91 C ATOM 513 OD1 ASP A 32 -1.355 -6.226 -13.742 1.00 1.55 O ATOM 514 OD2 ASP A 32 -0.387 -7.235 -12.069 1.00 1.51 O ATOM 0 H ASP A 32 -2.623 -3.485 -10.276 1.00 0.50 H new ATOM 0 HA ASP A 32 -3.708 -5.143 -12.204 1.00 0.60 H new ATOM 0 HB2 ASP A 32 -1.353 -4.190 -12.128 1.00 0.67 H new ATOM 0 HB3 ASP A 32 -1.013 -5.146 -10.700 1.00 0.67 H new ATOM 519 N LYS A 33 -3.235 -6.765 -9.438 1.00 0.62 N ATOM 520 CA LYS A 33 -3.411 -8.010 -8.756 1.00 0.73 C ATOM 521 C LYS A 33 -4.834 -8.244 -8.383 1.00 0.69 C ATOM 522 O LYS A 33 -5.367 -9.292 -8.745 1.00 0.83 O ATOM 523 CB LYS A 33 -2.484 -8.047 -7.529 1.00 0.85 C ATOM 524 CG LYS A 33 -1.023 -7.950 -7.971 1.00 1.31 C ATOM 525 CD LYS A 33 -0.486 -9.331 -8.357 1.00 1.71 C ATOM 526 CE LYS A 33 1.017 -9.107 -8.537 1.00 2.26 C ATOM 527 NZ LYS A 33 1.719 -10.373 -8.843 1.00 2.62 N ATOM 0 H LYS A 33 -2.945 -6.021 -8.803 1.00 0.62 H new ATOM 0 HA LYS A 33 -3.140 -8.823 -9.430 1.00 0.73 H new ATOM 0 HB2 LYS A 33 -2.724 -7.223 -6.857 1.00 0.85 H new ATOM 0 HB3 LYS A 33 -2.643 -8.970 -6.971 1.00 0.85 H new ATOM 0 HG2 LYS A 33 -0.938 -7.270 -8.819 1.00 1.31 H new ATOM 0 HG3 LYS A 33 -0.420 -7.531 -7.165 1.00 1.31 H new ATOM 0 HD2 LYS A 33 -0.689 -10.069 -7.581 1.00 1.71 H new ATOM 0 HD3 LYS A 33 -0.948 -9.697 -9.274 1.00 1.71 H new ATOM 0 HE2 LYS A 33 1.186 -8.392 -9.342 1.00 2.26 H new ATOM 0 HE3 LYS A 33 1.432 -8.669 -7.629 1.00 2.26 H new ATOM 0 HZ1 LYS A 33 2.736 -10.187 -8.959 1.00 2.62 H new ATOM 0 HZ2 LYS A 33 1.577 -11.046 -8.063 1.00 2.62 H new ATOM 0 HZ3 LYS A 33 1.338 -10.777 -9.722 1.00 2.62 H new ATOM 541 N GLU A 34 -5.465 -7.349 -7.601 1.00 0.63 N ATOM 542 CA GLU A 34 -6.781 -7.499 -7.063 1.00 0.67 C ATOM 543 C GLU A 34 -7.759 -6.766 -7.916 1.00 0.69 C ATOM 544 O GLU A 34 -8.785 -7.352 -8.254 1.00 0.95 O ATOM 545 CB GLU A 34 -6.870 -6.970 -5.621 1.00 0.73 C ATOM 546 CG GLU A 34 -6.167 -7.845 -4.582 1.00 0.83 C ATOM 547 CD GLU A 34 -6.990 -9.115 -4.424 1.00 0.95 C ATOM 548 OE1 GLU A 34 -8.175 -9.105 -3.995 1.00 1.48 O ATOM 549 OE2 GLU A 34 -6.447 -10.204 -4.751 1.00 1.37 O ATOM 0 H GLU A 34 -5.029 -6.468 -7.329 1.00 0.63 H new ATOM 0 HA GLU A 34 -7.015 -8.564 -7.050 1.00 0.67 H new ATOM 0 HB2 GLU A 34 -6.439 -5.969 -5.587 1.00 0.73 H new ATOM 0 HB3 GLU A 34 -7.920 -6.874 -5.346 1.00 0.73 H new ATOM 0 HG2 GLU A 34 -5.153 -8.082 -4.903 1.00 0.83 H new ATOM 0 HG3 GLU A 34 -6.085 -7.320 -3.630 1.00 0.83 H new ATOM 556 N GLY A 35 -7.480 -5.539 -8.393 1.00 0.63 N ATOM 557 CA GLY A 35 -8.293 -4.710 -9.227 1.00 0.68 C ATOM 558 C GLY A 35 -9.102 -3.744 -8.431 1.00 0.76 C ATOM 559 O GLY A 35 -10.331 -3.787 -8.439 1.00 1.12 O ATOM 0 H GLY A 35 -6.594 -5.085 -8.170 1.00 0.63 H new ATOM 0 HA2 GLY A 35 -7.658 -4.164 -9.925 1.00 0.68 H new ATOM 0 HA3 GLY A 35 -8.958 -5.335 -9.823 1.00 0.68 H new ATOM 563 N ILE A 36 -8.407 -2.921 -7.626 1.00 0.70 N ATOM 564 CA ILE A 36 -8.987 -1.951 -6.749 1.00 0.76 C ATOM 565 C ILE A 36 -8.495 -0.673 -7.335 1.00 0.71 C ATOM 566 O ILE A 36 -7.288 -0.607 -7.568 1.00 0.73 O ATOM 567 CB ILE A 36 -8.618 -1.996 -5.296 1.00 0.88 C ATOM 568 CG1 ILE A 36 -9.095 -3.331 -4.699 1.00 0.91 C ATOM 569 CG2 ILE A 36 -9.371 -0.864 -4.578 1.00 1.55 C ATOM 570 CD1 ILE A 36 -8.236 -3.607 -3.467 1.00 1.16 C ATOM 0 H ILE A 36 -7.388 -2.933 -7.585 1.00 0.70 H new ATOM 0 HA ILE A 36 -10.064 -2.115 -6.708 1.00 0.76 H new ATOM 0 HB ILE A 36 -7.539 -1.891 -5.179 1.00 0.88 H new ATOM 0 HG12 ILE A 36 -10.149 -3.277 -4.428 1.00 0.91 H new ATOM 0 HG13 ILE A 36 -8.994 -4.136 -5.427 1.00 0.91 H new ATOM 0 HG21 ILE A 36 -9.119 -0.875 -3.518 1.00 1.55 H new ATOM 0 HG22 ILE A 36 -9.083 0.095 -5.009 1.00 1.55 H new ATOM 0 HG23 ILE A 36 -10.445 -1.008 -4.698 1.00 1.55 H new ATOM 0 HD11 ILE A 36 -8.544 -4.549 -3.012 1.00 1.16 H new ATOM 0 HD12 ILE A 36 -7.188 -3.671 -3.761 1.00 1.16 H new ATOM 0 HD13 ILE A 36 -8.362 -2.798 -2.747 1.00 1.16 H new ATOM 582 N PRO A 37 -9.225 0.315 -7.759 1.00 0.75 N ATOM 583 CA PRO A 37 -8.633 1.443 -8.418 1.00 0.79 C ATOM 584 C PRO A 37 -7.798 2.178 -7.427 1.00 0.75 C ATOM 585 O PRO A 37 -8.316 2.075 -6.316 1.00 0.75 O ATOM 586 CB PRO A 37 -9.819 2.238 -8.960 1.00 0.95 C ATOM 587 CG PRO A 37 -11.059 1.667 -8.253 1.00 1.02 C ATOM 588 CD PRO A 37 -10.666 0.215 -7.938 1.00 0.85 C ATOM 0 HA PRO A 37 -7.961 1.200 -9.241 1.00 0.79 H new ATOM 0 HB2 PRO A 37 -9.705 3.302 -8.753 1.00 0.95 H new ATOM 0 HB3 PRO A 37 -9.901 2.131 -10.042 1.00 0.95 H new ATOM 0 HG2 PRO A 37 -11.294 2.224 -7.346 1.00 1.02 H new ATOM 0 HG3 PRO A 37 -11.941 1.713 -8.892 1.00 1.02 H new ATOM 0 HD2 PRO A 37 -11.162 -0.155 -7.041 1.00 0.85 H new ATOM 0 HD3 PRO A 37 -10.929 -0.463 -8.750 1.00 0.85 H new ATOM 596 N PRO A 38 -6.717 2.862 -7.664 1.00 0.81 N ATOM 597 CA PRO A 38 -5.950 3.426 -6.592 1.00 0.85 C ATOM 598 C PRO A 38 -6.602 4.512 -5.808 1.00 0.89 C ATOM 599 O PRO A 38 -6.124 4.800 -4.712 1.00 0.99 O ATOM 600 CB PRO A 38 -4.759 3.981 -7.370 1.00 1.01 C ATOM 601 CG PRO A 38 -4.520 3.031 -8.553 1.00 1.25 C ATOM 602 CD PRO A 38 -5.968 2.641 -8.892 1.00 0.98 C ATOM 0 HA PRO A 38 -5.746 2.686 -5.818 1.00 0.85 H new ATOM 0 HB2 PRO A 38 -4.964 4.992 -7.722 1.00 1.01 H new ATOM 0 HB3 PRO A 38 -3.875 4.038 -6.735 1.00 1.01 H new ATOM 0 HG2 PRO A 38 -4.017 3.523 -9.385 1.00 1.25 H new ATOM 0 HG3 PRO A 38 -3.912 2.170 -8.277 1.00 1.25 H new ATOM 0 HD2 PRO A 38 -6.360 3.249 -9.708 1.00 0.98 H new ATOM 0 HD3 PRO A 38 -6.032 1.601 -9.211 1.00 0.98 H new ATOM 610 N ASP A 39 -7.771 5.044 -6.208 1.00 0.96 N ATOM 611 CA ASP A 39 -8.497 6.025 -5.463 1.00 1.11 C ATOM 612 C ASP A 39 -9.215 5.506 -4.264 1.00 1.00 C ATOM 613 O ASP A 39 -9.378 6.144 -3.225 1.00 1.14 O ATOM 614 CB ASP A 39 -9.374 6.648 -6.563 1.00 1.39 C ATOM 615 CG ASP A 39 -10.018 7.922 -6.034 1.00 1.73 C ATOM 616 OD1 ASP A 39 -11.121 7.942 -5.427 1.00 2.23 O ATOM 617 OD2 ASP A 39 -9.435 9.019 -6.244 1.00 2.25 O ATOM 0 H ASP A 39 -8.227 4.781 -7.082 1.00 0.96 H new ATOM 0 HA ASP A 39 -7.864 6.757 -4.961 1.00 1.11 H new ATOM 0 HB2 ASP A 39 -8.770 6.871 -7.443 1.00 1.39 H new ATOM 0 HB3 ASP A 39 -10.143 5.941 -6.875 1.00 1.39 H new ATOM 622 N GLN A 40 -9.752 4.274 -4.320 1.00 0.87 N ATOM 623 CA GLN A 40 -10.468 3.878 -3.147 1.00 0.84 C ATOM 624 C GLN A 40 -9.551 3.389 -2.079 1.00 0.67 C ATOM 625 O GLN A 40 -9.923 3.167 -0.929 1.00 0.80 O ATOM 626 CB GLN A 40 -11.445 2.780 -3.600 1.00 0.95 C ATOM 627 CG GLN A 40 -12.574 2.405 -2.638 1.00 1.32 C ATOM 628 CD GLN A 40 -13.376 1.246 -3.214 1.00 1.48 C ATOM 629 OE1 GLN A 40 -13.138 0.765 -4.320 1.00 1.70 O ATOM 630 NE2 GLN A 40 -14.366 0.737 -2.433 1.00 2.02 N ATOM 0 H GLN A 40 -9.703 3.610 -5.092 1.00 0.87 H new ATOM 0 HA GLN A 40 -10.999 4.723 -2.708 1.00 0.84 H new ATOM 0 HB2 GLN A 40 -11.895 3.096 -4.541 1.00 0.95 H new ATOM 0 HB3 GLN A 40 -10.867 1.880 -3.809 1.00 0.95 H new ATOM 0 HG2 GLN A 40 -12.161 2.128 -1.668 1.00 1.32 H new ATOM 0 HG3 GLN A 40 -13.225 3.264 -2.473 1.00 1.32 H new ATOM 0 HE21 GLN A 40 -14.554 1.145 -1.517 1.00 2.02 H new ATOM 0 HE22 GLN A 40 -14.921 -0.053 -2.763 1.00 2.02 H new ATOM 639 N GLN A 41 -8.299 3.086 -2.469 1.00 0.56 N ATOM 640 CA GLN A 41 -7.269 2.512 -1.661 1.00 0.51 C ATOM 641 C GLN A 41 -6.742 3.457 -0.637 1.00 0.49 C ATOM 642 O GLN A 41 -6.063 4.446 -0.907 1.00 0.65 O ATOM 643 CB GLN A 41 -6.143 2.017 -2.586 1.00 0.67 C ATOM 644 CG GLN A 41 -6.435 0.675 -3.259 1.00 0.69 C ATOM 645 CD GLN A 41 -5.260 0.201 -4.104 1.00 0.56 C ATOM 646 OE1 GLN A 41 -4.113 0.010 -3.706 1.00 0.66 O ATOM 647 NE2 GLN A 41 -5.523 -0.047 -5.415 1.00 0.61 N ATOM 0 H GLN A 41 -7.985 3.257 -3.424 1.00 0.56 H new ATOM 0 HA GLN A 41 -7.695 1.679 -1.102 1.00 0.51 H new ATOM 0 HB2 GLN A 41 -5.964 2.767 -3.357 1.00 0.67 H new ATOM 0 HB3 GLN A 41 -5.224 1.929 -2.007 1.00 0.67 H new ATOM 0 HG2 GLN A 41 -6.661 -0.072 -2.498 1.00 0.69 H new ATOM 0 HG3 GLN A 41 -7.321 0.768 -3.887 1.00 0.69 H new ATOM 0 HE21 GLN A 41 -6.463 0.099 -5.783 1.00 0.61 H new ATOM 0 HE22 GLN A 41 -4.780 -0.379 -6.030 1.00 0.61 H new ATOM 656 N ARG A 42 -6.914 3.147 0.661 1.00 0.47 N ATOM 657 CA ARG A 42 -6.383 3.911 1.747 1.00 0.55 C ATOM 658 C ARG A 42 -5.250 3.107 2.284 1.00 0.46 C ATOM 659 O ARG A 42 -5.447 1.980 2.736 1.00 0.52 O ATOM 660 CB ARG A 42 -7.373 4.125 2.904 1.00 0.73 C ATOM 661 CG ARG A 42 -8.277 5.293 2.503 1.00 1.04 C ATOM 662 CD ARG A 42 -9.171 5.832 3.622 1.00 1.28 C ATOM 663 NE ARG A 42 -9.807 7.132 3.265 1.00 1.69 N ATOM 664 CZ ARG A 42 -10.294 7.998 4.200 1.00 2.19 C ATOM 665 NH1 ARG A 42 -10.810 7.537 5.377 1.00 2.34 N ATOM 666 NH2 ARG A 42 -10.390 9.336 3.944 1.00 2.78 N ATOM 0 H ARG A 42 -7.445 2.331 0.966 1.00 0.47 H new ATOM 0 HA ARG A 42 -6.114 4.899 1.373 1.00 0.55 H new ATOM 0 HB2 ARG A 42 -7.961 3.224 3.081 1.00 0.73 H new ATOM 0 HB3 ARG A 42 -6.843 4.347 3.830 1.00 0.73 H new ATOM 0 HG2 ARG A 42 -7.652 6.106 2.134 1.00 1.04 H new ATOM 0 HG3 ARG A 42 -8.910 4.975 1.674 1.00 1.04 H new ATOM 0 HD2 ARG A 42 -9.947 5.101 3.847 1.00 1.28 H new ATOM 0 HD3 ARG A 42 -8.578 5.957 4.528 1.00 1.28 H new ATOM 0 HE ARG A 42 -9.881 7.385 2.280 1.00 1.69 H new ATOM 0 HH11 ARG A 42 -10.834 6.535 5.565 1.00 2.34 H new ATOM 0 HH12 ARG A 42 -11.171 8.195 6.068 1.00 2.34 H new ATOM 0 HH21 ARG A 42 -10.095 9.705 3.040 1.00 2.78 H new ATOM 0 HH22 ARG A 42 -10.757 9.967 4.657 1.00 2.78 H new ATOM 680 N LEU A 43 -4.039 3.688 2.367 1.00 0.46 N ATOM 681 CA LEU A 43 -2.902 2.932 2.788 1.00 0.42 C ATOM 682 C LEU A 43 -2.484 3.471 4.112 1.00 0.43 C ATOM 683 O LEU A 43 -2.254 4.660 4.329 1.00 0.55 O ATOM 684 CB LEU A 43 -1.851 3.008 1.666 1.00 0.55 C ATOM 685 CG LEU A 43 -0.757 1.930 1.734 1.00 0.65 C ATOM 686 CD1 LEU A 43 -1.174 0.474 1.465 1.00 1.17 C ATOM 687 CD2 LEU A 43 0.235 2.191 0.587 1.00 1.12 C ATOM 0 H LEU A 43 -3.849 4.666 2.146 1.00 0.46 H new ATOM 0 HA LEU A 43 -3.091 1.869 2.940 1.00 0.42 H new ATOM 0 HB2 LEU A 43 -2.359 2.930 0.705 1.00 0.55 H new ATOM 0 HB3 LEU A 43 -1.377 3.989 1.697 1.00 0.55 H new ATOM 0 HG LEU A 43 -0.397 2.011 2.760 1.00 0.65 H new ATOM 0 HD11 LEU A 43 -0.302 -0.175 1.546 1.00 1.17 H new ATOM 0 HD12 LEU A 43 -1.923 0.169 2.196 1.00 1.17 H new ATOM 0 HD13 LEU A 43 -1.593 0.395 0.462 1.00 1.17 H new ATOM 0 HD21 LEU A 43 1.024 1.440 0.610 1.00 1.12 H new ATOM 0 HD22 LEU A 43 -0.289 2.137 -0.367 1.00 1.12 H new ATOM 0 HD23 LEU A 43 0.674 3.182 0.704 1.00 1.12 H new ATOM 699 N ILE A 44 -2.389 2.570 5.105 1.00 0.42 N ATOM 700 CA ILE A 44 -2.088 2.918 6.460 1.00 0.46 C ATOM 701 C ILE A 44 -0.771 2.342 6.854 1.00 0.42 C ATOM 702 O ILE A 44 -0.560 1.134 6.766 1.00 0.53 O ATOM 703 CB ILE A 44 -3.168 2.426 7.376 1.00 0.58 C ATOM 704 CG1 ILE A 44 -4.593 2.938 7.107 1.00 1.05 C ATOM 705 CG2 ILE A 44 -2.777 2.727 8.833 1.00 1.38 C ATOM 706 CD1 ILE A 44 -4.730 4.423 7.441 1.00 1.27 C ATOM 0 H ILE A 44 -2.525 1.569 4.962 1.00 0.42 H new ATOM 0 HA ILE A 44 -2.035 4.004 6.541 1.00 0.46 H new ATOM 0 HB ILE A 44 -3.228 1.356 7.175 1.00 0.58 H new ATOM 0 HG12 ILE A 44 -4.847 2.775 6.060 1.00 1.05 H new ATOM 0 HG13 ILE A 44 -5.305 2.364 7.700 1.00 1.05 H new ATOM 0 HG21 ILE A 44 -3.561 2.370 9.501 1.00 1.38 H new ATOM 0 HG22 ILE A 44 -1.840 2.222 9.070 1.00 1.38 H new ATOM 0 HG23 ILE A 44 -2.652 3.802 8.962 1.00 1.38 H new ATOM 0 HD11 ILE A 44 -5.750 4.749 7.238 1.00 1.27 H new ATOM 0 HD12 ILE A 44 -4.501 4.582 8.495 1.00 1.27 H new ATOM 0 HD13 ILE A 44 -4.037 4.999 6.828 1.00 1.27 H new ATOM 718 N PHE A 45 0.170 3.162 7.356 1.00 0.42 N ATOM 719 CA PHE A 45 1.355 2.576 7.900 1.00 0.46 C ATOM 720 C PHE A 45 1.652 3.334 9.148 1.00 0.68 C ATOM 721 O PHE A 45 1.757 4.555 9.041 1.00 1.50 O ATOM 722 CB PHE A 45 2.532 2.571 6.911 1.00 0.56 C ATOM 723 CG PHE A 45 3.801 1.988 7.426 1.00 0.64 C ATOM 724 CD1 PHE A 45 3.833 0.634 7.667 1.00 1.19 C ATOM 725 CD2 PHE A 45 4.976 2.682 7.598 1.00 1.08 C ATOM 726 CE1 PHE A 45 4.931 0.025 8.227 1.00 1.33 C ATOM 727 CE2 PHE A 45 6.082 2.078 8.147 1.00 1.20 C ATOM 728 CZ PHE A 45 6.065 0.751 8.508 1.00 1.02 C ATOM 0 H PHE A 45 0.119 4.180 7.386 1.00 0.42 H new ATOM 0 HA PHE A 45 1.198 1.519 8.115 1.00 0.46 H new ATOM 0 HB2 PHE A 45 2.233 2.017 6.021 1.00 0.56 H new ATOM 0 HB3 PHE A 45 2.725 3.597 6.598 1.00 0.56 H new ATOM 0 HD1 PHE A 45 2.973 0.034 7.410 1.00 1.19 H new ATOM 0 HD2 PHE A 45 5.030 3.718 7.297 1.00 1.08 H new ATOM 0 HE1 PHE A 45 4.903 -1.032 8.448 1.00 1.33 H new ATOM 0 HE2 PHE A 45 6.981 2.656 8.298 1.00 1.20 H new ATOM 0 HZ PHE A 45 6.914 0.294 8.996 1.00 1.02 H new ATOM 738 N ALA A 46 1.662 2.682 10.324 1.00 0.81 N ATOM 739 CA ALA A 46 2.008 3.174 11.622 1.00 0.96 C ATOM 740 C ALA A 46 1.045 4.132 12.234 1.00 0.97 C ATOM 741 O ALA A 46 1.263 5.191 12.821 1.00 1.21 O ATOM 742 CB ALA A 46 3.466 3.666 11.614 1.00 1.20 C ATOM 0 H ALA A 46 1.397 1.698 10.367 1.00 0.81 H new ATOM 0 HA ALA A 46 1.927 2.330 12.307 1.00 0.96 H new ATOM 0 HB1 ALA A 46 3.729 4.041 12.603 1.00 1.20 H new ATOM 0 HB2 ALA A 46 4.127 2.840 11.351 1.00 1.20 H new ATOM 0 HB3 ALA A 46 3.576 4.466 10.882 1.00 1.20 H new ATOM 748 N GLY A 47 -0.217 3.798 11.913 1.00 0.99 N ATOM 749 CA GLY A 47 -1.308 4.629 12.319 1.00 1.10 C ATOM 750 C GLY A 47 -1.672 5.707 11.357 1.00 1.03 C ATOM 751 O GLY A 47 -2.800 6.189 11.438 1.00 1.30 O ATOM 0 H GLY A 47 -0.480 2.968 11.382 1.00 0.99 H new ATOM 0 HA2 GLY A 47 -2.183 4.000 12.484 1.00 1.10 H new ATOM 0 HA3 GLY A 47 -1.060 5.086 13.277 1.00 1.10 H new ATOM 755 N LYS A 48 -0.740 6.095 10.468 1.00 0.98 N ATOM 756 CA LYS A 48 -1.058 7.150 9.557 1.00 1.05 C ATOM 757 C LYS A 48 -1.442 6.759 8.172 1.00 0.84 C ATOM 758 O LYS A 48 -0.933 5.810 7.578 1.00 0.81 O ATOM 759 CB LYS A 48 0.199 8.007 9.334 1.00 1.42 C ATOM 760 CG LYS A 48 0.579 8.892 10.522 1.00 1.61 C ATOM 761 CD LYS A 48 1.387 10.165 10.256 1.00 1.87 C ATOM 762 CE LYS A 48 2.784 9.864 9.710 1.00 2.22 C ATOM 763 NZ LYS A 48 3.455 11.117 9.298 1.00 2.55 N ATOM 0 H LYS A 48 0.196 5.698 10.380 1.00 0.98 H new ATOM 0 HA LYS A 48 -1.911 7.633 10.034 1.00 1.05 H new ATOM 0 HB2 LYS A 48 1.037 7.349 9.104 1.00 1.42 H new ATOM 0 HB3 LYS A 48 0.042 8.640 8.461 1.00 1.42 H new ATOM 0 HG2 LYS A 48 -0.342 9.184 11.026 1.00 1.61 H new ATOM 0 HG3 LYS A 48 1.146 8.280 11.223 1.00 1.61 H new ATOM 0 HD2 LYS A 48 0.849 10.792 9.545 1.00 1.87 H new ATOM 0 HD3 LYS A 48 1.476 10.736 11.180 1.00 1.87 H new ATOM 0 HE2 LYS A 48 3.378 9.358 10.471 1.00 2.22 H new ATOM 0 HE3 LYS A 48 2.711 9.186 8.860 1.00 2.22 H new ATOM 0 HZ1 LYS A 48 4.403 10.898 8.929 1.00 2.55 H new ATOM 0 HZ2 LYS A 48 2.894 11.584 8.557 1.00 2.55 H new ATOM 0 HZ3 LYS A 48 3.541 11.751 10.118 1.00 2.55 H new ATOM 777 N GLN A 49 -2.324 7.565 7.551 1.00 0.84 N ATOM 778 CA GLN A 49 -2.741 7.587 6.185 1.00 0.80 C ATOM 779 C GLN A 49 -1.678 8.219 5.352 1.00 0.72 C ATOM 780 O GLN A 49 -1.206 9.336 5.551 1.00 0.83 O ATOM 781 CB GLN A 49 -4.007 8.433 5.975 1.00 1.03 C ATOM 782 CG GLN A 49 -4.664 8.313 4.598 1.00 1.67 C ATOM 783 CD GLN A 49 -6.122 8.751 4.623 1.00 1.92 C ATOM 784 OE1 GLN A 49 -6.908 8.424 5.511 1.00 2.24 O ATOM 785 NE2 GLN A 49 -6.512 9.604 3.639 1.00 2.48 N ATOM 0 H GLN A 49 -2.803 8.293 8.081 1.00 0.84 H new ATOM 0 HA GLN A 49 -2.937 6.552 5.903 1.00 0.80 H new ATOM 0 HB2 GLN A 49 -4.739 8.152 6.732 1.00 1.03 H new ATOM 0 HB3 GLN A 49 -3.755 9.479 6.147 1.00 1.03 H new ATOM 0 HG2 GLN A 49 -4.115 8.922 3.880 1.00 1.67 H new ATOM 0 HG3 GLN A 49 -4.601 7.280 4.255 1.00 1.67 H new ATOM 0 HE21 GLN A 49 -5.855 9.871 2.906 1.00 2.48 H new ATOM 0 HE22 GLN A 49 -7.461 9.977 3.634 1.00 2.48 H new ATOM 794 N LEU A 50 -1.176 7.410 4.402 1.00 0.69 N ATOM 795 CA LEU A 50 -0.109 7.761 3.517 1.00 0.66 C ATOM 796 C LEU A 50 -0.480 8.488 2.271 1.00 0.72 C ATOM 797 O LEU A 50 -1.549 8.359 1.678 1.00 0.90 O ATOM 798 CB LEU A 50 0.741 6.526 3.173 1.00 0.65 C ATOM 799 CG LEU A 50 1.120 5.627 4.361 1.00 0.64 C ATOM 800 CD1 LEU A 50 1.835 4.409 3.752 1.00 0.77 C ATOM 801 CD2 LEU A 50 2.099 6.434 5.230 1.00 0.74 C ATOM 0 H LEU A 50 -1.531 6.467 4.244 1.00 0.69 H new ATOM 0 HA LEU A 50 0.466 8.489 4.090 1.00 0.66 H new ATOM 0 HB2 LEU A 50 0.197 5.925 2.445 1.00 0.65 H new ATOM 0 HB3 LEU A 50 1.658 6.862 2.688 1.00 0.65 H new ATOM 0 HG LEU A 50 0.268 5.310 4.963 1.00 0.64 H new ATOM 0 HD11 LEU A 50 2.133 3.726 4.548 1.00 0.77 H new ATOM 0 HD12 LEU A 50 1.160 3.896 3.067 1.00 0.77 H new ATOM 0 HD13 LEU A 50 2.720 4.741 3.209 1.00 0.77 H new ATOM 0 HD21 LEU A 50 2.399 5.836 6.091 1.00 0.74 H new ATOM 0 HD22 LEU A 50 2.980 6.692 4.642 1.00 0.74 H new ATOM 0 HD23 LEU A 50 1.613 7.347 5.574 1.00 0.74 H new ATOM 813 N GLU A 51 0.394 9.388 1.783 1.00 0.70 N ATOM 814 CA GLU A 51 0.201 10.100 0.557 1.00 0.76 C ATOM 815 C GLU A 51 0.798 9.457 -0.648 1.00 0.77 C ATOM 816 O GLU A 51 1.885 8.883 -0.660 1.00 1.23 O ATOM 817 CB GLU A 51 0.750 11.535 0.602 1.00 0.88 C ATOM 818 CG GLU A 51 0.065 12.424 1.642 1.00 1.35 C ATOM 819 CD GLU A 51 0.728 13.789 1.521 1.00 1.46 C ATOM 820 OE1 GLU A 51 1.716 14.123 2.228 1.00 1.89 O ATOM 821 OE2 GLU A 51 0.163 14.667 0.815 1.00 1.94 O ATOM 0 H GLU A 51 1.264 9.628 2.258 1.00 0.70 H new ATOM 0 HA GLU A 51 -0.885 10.094 0.462 1.00 0.76 H new ATOM 0 HB2 GLU A 51 1.818 11.499 0.815 1.00 0.88 H new ATOM 0 HB3 GLU A 51 0.636 11.989 -0.382 1.00 0.88 H new ATOM 0 HG2 GLU A 51 -1.007 12.492 1.454 1.00 1.35 H new ATOM 0 HG3 GLU A 51 0.187 12.017 2.646 1.00 1.35 H new ATOM 828 N ASP A 52 0.060 9.430 -1.772 1.00 0.66 N ATOM 829 CA ASP A 52 0.409 8.740 -2.975 1.00 0.65 C ATOM 830 C ASP A 52 1.607 9.247 -3.702 1.00 0.60 C ATOM 831 O ASP A 52 2.401 8.452 -4.200 1.00 0.62 O ATOM 832 CB ASP A 52 -0.787 8.742 -3.942 1.00 0.81 C ATOM 833 CG ASP A 52 -2.003 8.029 -3.367 1.00 0.95 C ATOM 834 OD1 ASP A 52 -1.925 7.455 -2.248 1.00 1.44 O ATOM 835 OD2 ASP A 52 -3.087 8.011 -4.009 1.00 1.56 O ATOM 0 H ASP A 52 -0.832 9.919 -1.845 1.00 0.66 H new ATOM 0 HA ASP A 52 0.674 7.737 -2.640 1.00 0.65 H new ATOM 0 HB2 ASP A 52 -1.054 9.771 -4.183 1.00 0.81 H new ATOM 0 HB3 ASP A 52 -0.496 8.261 -4.876 1.00 0.81 H new ATOM 840 N GLY A 53 1.771 10.576 -3.830 1.00 0.68 N ATOM 841 CA GLY A 53 2.957 11.221 -4.301 1.00 0.73 C ATOM 842 C GLY A 53 4.165 11.115 -3.435 1.00 0.72 C ATOM 843 O GLY A 53 5.251 11.506 -3.860 1.00 0.97 O ATOM 0 H GLY A 53 1.033 11.238 -3.591 1.00 0.68 H new ATOM 0 HA2 GLY A 53 3.203 10.809 -5.280 1.00 0.73 H new ATOM 0 HA3 GLY A 53 2.735 12.278 -4.447 1.00 0.73 H new ATOM 847 N ARG A 54 4.070 10.694 -2.161 1.00 0.64 N ATOM 848 CA ARG A 54 5.247 10.476 -1.377 1.00 0.63 C ATOM 849 C ARG A 54 5.918 9.187 -1.710 1.00 0.59 C ATOM 850 O ARG A 54 5.375 8.263 -2.314 1.00 0.62 O ATOM 851 CB ARG A 54 4.784 10.523 0.088 1.00 0.69 C ATOM 852 CG ARG A 54 4.678 11.997 0.488 1.00 0.82 C ATOM 853 CD ARG A 54 5.075 12.262 1.941 1.00 1.18 C ATOM 854 NE ARG A 54 4.842 13.715 2.173 1.00 1.50 N ATOM 855 CZ ARG A 54 5.487 14.340 3.201 1.00 2.00 C ATOM 856 NH1 ARG A 54 6.573 13.775 3.806 1.00 2.48 N ATOM 857 NH2 ARG A 54 5.083 15.571 3.629 1.00 2.49 N ATOM 0 H ARG A 54 3.191 10.506 -1.678 1.00 0.64 H new ATOM 0 HA ARG A 54 6.000 11.238 -1.580 1.00 0.63 H new ATOM 0 HB2 ARG A 54 3.822 10.024 0.202 1.00 0.69 H new ATOM 0 HB3 ARG A 54 5.492 10.001 0.731 1.00 0.69 H new ATOM 0 HG2 ARG A 54 5.314 12.591 -0.169 1.00 0.82 H new ATOM 0 HG3 ARG A 54 3.654 12.336 0.331 1.00 0.82 H new ATOM 0 HD2 ARG A 54 4.479 11.657 2.625 1.00 1.18 H new ATOM 0 HD3 ARG A 54 6.119 12.002 2.114 1.00 1.18 H new ATOM 0 HE ARG A 54 4.207 14.238 1.570 1.00 1.50 H new ATOM 0 HH11 ARG A 54 6.918 12.868 3.491 1.00 2.48 H new ATOM 0 HH12 ARG A 54 7.040 14.260 4.572 1.00 2.48 H new ATOM 0 HH21 ARG A 54 4.292 16.033 3.180 1.00 2.49 H new ATOM 0 HH22 ARG A 54 5.572 16.029 4.398 1.00 2.49 H new ATOM 871 N THR A 55 7.206 9.006 -1.374 1.00 0.63 N ATOM 872 CA THR A 55 8.018 7.841 -1.550 1.00 0.61 C ATOM 873 C THR A 55 7.948 6.961 -0.350 1.00 0.59 C ATOM 874 O THR A 55 7.522 7.375 0.726 1.00 0.64 O ATOM 875 CB THR A 55 9.428 8.047 -2.017 1.00 0.68 C ATOM 876 OG1 THR A 55 10.208 8.802 -1.102 1.00 0.75 O ATOM 877 CG2 THR A 55 9.371 8.693 -3.411 1.00 0.76 C ATOM 0 H THR A 55 7.734 9.758 -0.931 1.00 0.63 H new ATOM 0 HA THR A 55 7.566 7.340 -2.406 1.00 0.61 H new ATOM 0 HB THR A 55 9.934 7.083 -2.075 1.00 0.68 H new ATOM 0 HG1 THR A 55 10.979 8.270 -0.813 1.00 0.75 H new ATOM 0 HG21 THR A 55 10.384 8.856 -3.778 1.00 0.76 H new ATOM 0 HG22 THR A 55 8.838 8.034 -4.096 1.00 0.76 H new ATOM 0 HG23 THR A 55 8.850 9.648 -3.348 1.00 0.76 H new ATOM 885 N LEU A 56 8.309 5.690 -0.601 1.00 0.58 N ATOM 886 CA LEU A 56 8.332 4.649 0.378 1.00 0.59 C ATOM 887 C LEU A 56 9.440 4.883 1.349 1.00 0.64 C ATOM 888 O LEU A 56 9.325 4.524 2.519 1.00 0.70 O ATOM 889 CB LEU A 56 8.503 3.269 -0.278 1.00 0.60 C ATOM 890 CG LEU A 56 7.342 2.791 -1.167 1.00 0.63 C ATOM 891 CD1 LEU A 56 7.977 1.978 -2.309 1.00 1.05 C ATOM 892 CD2 LEU A 56 6.111 2.169 -0.486 1.00 1.03 C ATOM 0 H LEU A 56 8.597 5.375 -1.527 1.00 0.58 H new ATOM 0 HA LEU A 56 7.377 4.663 0.903 1.00 0.59 H new ATOM 0 HB2 LEU A 56 9.411 3.286 -0.880 1.00 0.60 H new ATOM 0 HB3 LEU A 56 8.657 2.532 0.510 1.00 0.60 H new ATOM 0 HG LEU A 56 6.825 3.667 -1.559 1.00 0.63 H new ATOM 0 HD11 LEU A 56 7.195 1.612 -2.974 1.00 1.05 H new ATOM 0 HD12 LEU A 56 8.663 2.613 -2.870 1.00 1.05 H new ATOM 0 HD13 LEU A 56 8.524 1.132 -1.893 1.00 1.05 H new ATOM 0 HD21 LEU A 56 5.382 1.883 -1.244 1.00 1.03 H new ATOM 0 HD22 LEU A 56 6.414 1.287 0.077 1.00 1.03 H new ATOM 0 HD23 LEU A 56 5.664 2.896 0.192 1.00 1.03 H new ATOM 904 N SER A 57 10.518 5.587 0.961 1.00 0.68 N ATOM 905 CA SER A 57 11.646 5.978 1.748 1.00 0.75 C ATOM 906 C SER A 57 11.330 7.135 2.631 1.00 0.76 C ATOM 907 O SER A 57 11.760 7.257 3.777 1.00 0.84 O ATOM 908 CB SER A 57 12.879 6.405 0.934 1.00 0.84 C ATOM 909 OG SER A 57 12.615 7.442 0.001 1.00 1.19 O ATOM 0 H SER A 57 10.606 5.914 -0.001 1.00 0.68 H new ATOM 0 HA SER A 57 11.877 5.074 2.311 1.00 0.75 H new ATOM 0 HB2 SER A 57 13.660 6.735 1.619 1.00 0.84 H new ATOM 0 HB3 SER A 57 13.269 5.538 0.400 1.00 0.84 H new ATOM 0 HG SER A 57 13.439 7.666 -0.481 1.00 1.19 H new ATOM 915 N ASP A 58 10.420 8.036 2.220 1.00 0.75 N ATOM 916 CA ASP A 58 9.875 9.118 2.980 1.00 0.78 C ATOM 917 C ASP A 58 9.138 8.697 4.206 1.00 0.77 C ATOM 918 O ASP A 58 9.312 9.226 5.303 1.00 0.86 O ATOM 919 CB ASP A 58 9.172 10.118 2.047 1.00 0.83 C ATOM 920 CG ASP A 58 9.221 11.508 2.666 1.00 1.23 C ATOM 921 OD1 ASP A 58 8.472 11.757 3.649 1.00 1.90 O ATOM 922 OD2 ASP A 58 10.008 12.370 2.194 1.00 1.86 O ATOM 0 H ASP A 58 10.034 8.003 1.276 1.00 0.75 H new ATOM 0 HA ASP A 58 10.694 9.676 3.434 1.00 0.78 H new ATOM 0 HB2 ASP A 58 9.658 10.125 1.071 1.00 0.83 H new ATOM 0 HB3 ASP A 58 8.137 9.816 1.886 1.00 0.83 H new ATOM 927 N TYR A 59 8.326 7.639 4.037 1.00 0.72 N ATOM 928 CA TYR A 59 7.687 6.970 5.127 1.00 0.73 C ATOM 929 C TYR A 59 8.542 5.927 5.761 1.00 0.76 C ATOM 930 O TYR A 59 8.076 5.351 6.743 1.00 0.89 O ATOM 931 CB TYR A 59 6.373 6.343 4.633 1.00 0.73 C ATOM 932 CG TYR A 59 5.284 7.345 4.453 1.00 0.67 C ATOM 933 CD1 TYR A 59 4.814 8.108 5.496 1.00 0.74 C ATOM 934 CD2 TYR A 59 4.820 7.545 3.174 1.00 0.67 C ATOM 935 CE1 TYR A 59 3.869 9.070 5.228 1.00 0.77 C ATOM 936 CE2 TYR A 59 3.892 8.541 2.985 1.00 0.70 C ATOM 937 CZ TYR A 59 3.357 9.326 3.979 1.00 0.74 C ATOM 938 OH TYR A 59 2.525 10.427 3.684 1.00 0.86 O ATOM 0 H TYR A 59 8.109 7.240 3.124 1.00 0.72 H new ATOM 0 HA TYR A 59 7.493 7.718 5.896 1.00 0.73 H new ATOM 0 HB2 TYR A 59 6.552 5.835 3.686 1.00 0.73 H new ATOM 0 HB3 TYR A 59 6.048 5.584 5.345 1.00 0.73 H new ATOM 0 HD1 TYR A 59 5.178 7.955 6.501 1.00 0.74 H new ATOM 0 HD2 TYR A 59 5.171 6.942 2.350 1.00 0.67 H new ATOM 0 HE1 TYR A 59 3.505 9.664 6.054 1.00 0.77 H new ATOM 0 HE2 TYR A 59 3.556 8.722 1.975 1.00 0.70 H new ATOM 0 HH TYR A 59 2.747 11.174 4.279 1.00 0.86 H new ATOM 948 N ASN A 60 9.744 5.560 5.280 1.00 0.74 N ATOM 949 CA ASN A 60 10.627 4.627 5.908 1.00 0.79 C ATOM 950 C ASN A 60 10.113 3.229 5.885 1.00 0.75 C ATOM 951 O ASN A 60 10.011 2.628 6.953 1.00 0.86 O ATOM 952 CB ASN A 60 11.192 5.218 7.211 1.00 0.95 C ATOM 953 CG ASN A 60 12.269 4.342 7.833 1.00 1.25 C ATOM 954 OD1 ASN A 60 12.852 3.533 7.113 1.00 1.84 O ATOM 955 ND2 ASN A 60 12.522 4.401 9.168 1.00 1.83 N ATOM 0 H ASN A 60 10.118 5.934 4.408 1.00 0.74 H new ATOM 0 HA ASN A 60 11.529 4.478 5.314 1.00 0.79 H new ATOM 0 HB2 ASN A 60 11.605 6.206 7.008 1.00 0.95 H new ATOM 0 HB3 ASN A 60 10.381 5.353 7.926 1.00 0.95 H new ATOM 0 HD21 ASN A 60 13.204 3.768 9.586 1.00 1.83 H new ATOM 0 HD22 ASN A 60 12.030 5.078 9.751 1.00 1.83 H new ATOM 962 N ILE A 61 9.710 2.772 4.686 1.00 0.67 N ATOM 963 CA ILE A 61 9.281 1.414 4.563 1.00 0.65 C ATOM 964 C ILE A 61 10.439 0.679 3.980 1.00 0.66 C ATOM 965 O ILE A 61 10.996 1.021 2.937 1.00 0.75 O ATOM 966 CB ILE A 61 8.074 1.377 3.672 1.00 0.63 C ATOM 967 CG1 ILE A 61 6.939 2.287 4.168 1.00 0.70 C ATOM 968 CG2 ILE A 61 7.558 -0.066 3.543 1.00 0.72 C ATOM 969 CD1 ILE A 61 5.806 2.410 3.150 1.00 0.82 C ATOM 0 H ILE A 61 9.681 3.322 3.827 1.00 0.67 H new ATOM 0 HA ILE A 61 8.993 0.958 5.511 1.00 0.65 H new ATOM 0 HB ILE A 61 8.389 1.753 2.699 1.00 0.63 H new ATOM 0 HG12 ILE A 61 6.542 1.892 5.103 1.00 0.70 H new ATOM 0 HG13 ILE A 61 7.339 3.278 4.384 1.00 0.70 H new ATOM 0 HG21 ILE A 61 6.682 -0.083 2.895 1.00 0.72 H new ATOM 0 HG22 ILE A 61 8.339 -0.695 3.115 1.00 0.72 H new ATOM 0 HG23 ILE A 61 7.287 -0.445 4.528 1.00 0.72 H new ATOM 0 HD11 ILE A 61 5.029 3.063 3.547 1.00 0.82 H new ATOM 0 HD12 ILE A 61 6.194 2.831 2.223 1.00 0.82 H new ATOM 0 HD13 ILE A 61 5.385 1.424 2.953 1.00 0.82 H new ATOM 981 N GLN A 62 10.927 -0.388 4.637 1.00 0.67 N ATOM 982 CA GLN A 62 12.042 -1.222 4.310 1.00 0.70 C ATOM 983 C GLN A 62 11.653 -2.600 3.900 1.00 0.62 C ATOM 984 O GLN A 62 10.483 -2.980 3.889 1.00 0.64 O ATOM 985 CB GLN A 62 12.952 -1.162 5.549 1.00 0.85 C ATOM 986 CG GLN A 62 13.483 0.244 5.834 1.00 1.27 C ATOM 987 CD GLN A 62 14.359 0.411 7.067 1.00 1.57 C ATOM 988 OE1 GLN A 62 14.073 -0.168 8.114 1.00 2.08 O ATOM 989 NE2 GLN A 62 15.511 1.115 6.900 1.00 2.16 N ATOM 0 H GLN A 62 10.484 -0.700 5.501 1.00 0.67 H new ATOM 0 HA GLN A 62 12.567 -0.868 3.423 1.00 0.70 H new ATOM 0 HB2 GLN A 62 12.398 -1.518 6.417 1.00 0.85 H new ATOM 0 HB3 GLN A 62 13.793 -1.840 5.408 1.00 0.85 H new ATOM 0 HG2 GLN A 62 14.053 0.574 4.965 1.00 1.27 H new ATOM 0 HG3 GLN A 62 12.630 0.916 5.930 1.00 1.27 H new ATOM 0 HE21 GLN A 62 15.702 1.578 6.011 1.00 2.16 H new ATOM 0 HE22 GLN A 62 16.184 1.180 7.664 1.00 2.16 H new ATOM 998 N LYS A 63 12.655 -3.480 3.717 1.00 0.64 N ATOM 999 CA LYS A 63 12.557 -4.877 3.431 1.00 0.62 C ATOM 1000 C LYS A 63 11.575 -5.576 4.306 1.00 0.59 C ATOM 1001 O LYS A 63 11.669 -5.524 5.532 1.00 0.66 O ATOM 1002 CB LYS A 63 13.951 -5.502 3.255 1.00 0.74 C ATOM 1003 CG LYS A 63 13.930 -7.016 3.472 1.00 0.89 C ATOM 1004 CD LYS A 63 15.354 -7.555 3.605 1.00 1.11 C ATOM 1005 CE LYS A 63 15.523 -9.070 3.463 1.00 1.47 C ATOM 1006 NZ LYS A 63 14.664 -9.709 4.485 1.00 2.12 N ATOM 0 H LYS A 63 13.628 -3.180 3.776 1.00 0.64 H new ATOM 0 HA LYS A 63 12.098 -5.025 2.453 1.00 0.62 H new ATOM 0 HB2 LYS A 63 14.323 -5.284 2.254 1.00 0.74 H new ATOM 0 HB3 LYS A 63 14.646 -5.044 3.959 1.00 0.74 H new ATOM 0 HG2 LYS A 63 13.359 -7.253 4.370 1.00 0.89 H new ATOM 0 HG3 LYS A 63 13.427 -7.503 2.637 1.00 0.89 H new ATOM 0 HD2 LYS A 63 15.975 -7.070 2.852 1.00 1.11 H new ATOM 0 HD3 LYS A 63 15.743 -7.257 4.579 1.00 1.11 H new ATOM 0 HE2 LYS A 63 15.237 -9.396 2.463 1.00 1.47 H new ATOM 0 HE3 LYS A 63 16.565 -9.355 3.605 1.00 1.47 H new ATOM 0 HZ1 LYS A 63 15.143 -10.551 4.864 1.00 2.12 H new ATOM 0 HZ2 LYS A 63 14.484 -9.036 5.257 1.00 2.12 H new ATOM 0 HZ3 LYS A 63 13.761 -9.990 4.053 1.00 2.12 H new ATOM 1020 N GLU A 64 10.585 -6.259 3.704 1.00 0.57 N ATOM 1021 CA GLU A 64 9.586 -7.102 4.283 1.00 0.58 C ATOM 1022 C GLU A 64 8.634 -6.480 5.247 1.00 0.56 C ATOM 1023 O GLU A 64 8.316 -7.047 6.292 1.00 0.70 O ATOM 1024 CB GLU A 64 10.113 -8.490 4.683 1.00 0.72 C ATOM 1025 CG GLU A 64 10.454 -9.269 3.412 1.00 0.96 C ATOM 1026 CD GLU A 64 11.031 -10.627 3.787 1.00 1.18 C ATOM 1027 OE1 GLU A 64 10.334 -11.603 4.175 1.00 1.69 O ATOM 1028 OE2 GLU A 64 12.267 -10.769 3.584 1.00 1.71 O ATOM 0 H GLU A 64 10.476 -6.212 2.691 1.00 0.57 H new ATOM 0 HA GLU A 64 8.912 -7.276 3.444 1.00 0.58 H new ATOM 0 HB2 GLU A 64 10.996 -8.392 5.314 1.00 0.72 H new ATOM 0 HB3 GLU A 64 9.363 -9.026 5.265 1.00 0.72 H new ATOM 0 HG2 GLU A 64 9.560 -9.398 2.801 1.00 0.96 H new ATOM 0 HG3 GLU A 64 11.172 -8.710 2.812 1.00 0.96 H new ATOM 1035 N SER A 65 8.117 -5.275 4.946 1.00 0.51 N ATOM 1036 CA SER A 65 7.278 -4.600 5.886 1.00 0.51 C ATOM 1037 C SER A 65 5.846 -4.801 5.523 1.00 0.43 C ATOM 1038 O SER A 65 5.447 -5.096 4.398 1.00 0.50 O ATOM 1039 CB SER A 65 7.681 -3.116 5.900 1.00 0.65 C ATOM 1040 OG SER A 65 7.256 -2.499 7.106 1.00 1.04 O ATOM 0 H SER A 65 8.275 -4.777 4.070 1.00 0.51 H new ATOM 0 HA SER A 65 7.404 -5.003 6.891 1.00 0.51 H new ATOM 0 HB2 SER A 65 8.763 -3.025 5.799 1.00 0.65 H new ATOM 0 HB3 SER A 65 7.237 -2.604 5.046 1.00 0.65 H new ATOM 0 HG SER A 65 7.520 -1.555 7.102 1.00 1.04 H new ATOM 1046 N THR A 66 4.972 -4.729 6.543 1.00 0.45 N ATOM 1047 CA THR A 66 3.569 -4.874 6.304 1.00 0.45 C ATOM 1048 C THR A 66 2.842 -3.579 6.186 1.00 0.43 C ATOM 1049 O THR A 66 2.627 -2.857 7.159 1.00 0.58 O ATOM 1050 CB THR A 66 2.759 -5.779 7.186 1.00 0.61 C ATOM 1051 OG1 THR A 66 3.392 -7.037 7.361 1.00 0.79 O ATOM 1052 CG2 THR A 66 1.351 -5.929 6.587 1.00 0.78 C ATOM 0 H THR A 66 5.230 -4.573 7.517 1.00 0.45 H new ATOM 0 HA THR A 66 3.635 -5.394 5.348 1.00 0.45 H new ATOM 0 HB THR A 66 2.678 -5.336 8.179 1.00 0.61 H new ATOM 0 HG1 THR A 66 2.841 -7.603 7.941 1.00 0.79 H new ATOM 0 HG21 THR A 66 0.754 -6.585 7.221 1.00 0.78 H new ATOM 0 HG22 THR A 66 0.875 -4.950 6.527 1.00 0.78 H new ATOM 0 HG23 THR A 66 1.425 -6.358 5.588 1.00 0.78 H new ATOM 1060 N LEU A 67 2.439 -3.243 4.948 1.00 0.38 N ATOM 1061 CA LEU A 67 1.559 -2.146 4.687 1.00 0.38 C ATOM 1062 C LEU A 67 0.163 -2.663 4.775 1.00 0.37 C ATOM 1063 O LEU A 67 -0.068 -3.808 4.389 1.00 0.50 O ATOM 1064 CB LEU A 67 1.761 -1.362 3.381 1.00 0.46 C ATOM 1065 CG LEU A 67 3.225 -0.918 3.227 1.00 0.65 C ATOM 1066 CD1 LEU A 67 3.340 -0.150 1.899 1.00 1.40 C ATOM 1067 CD2 LEU A 67 3.687 -0.037 4.400 1.00 1.31 C ATOM 0 H LEU A 67 2.731 -3.745 4.109 1.00 0.38 H new ATOM 0 HA LEU A 67 1.794 -1.397 5.443 1.00 0.38 H new ATOM 0 HB2 LEU A 67 1.474 -1.982 2.532 1.00 0.46 H new ATOM 0 HB3 LEU A 67 1.109 -0.488 3.372 1.00 0.46 H new ATOM 0 HG LEU A 67 3.871 -1.796 3.227 1.00 0.65 H new ATOM 0 HD11 LEU A 67 4.369 0.180 1.758 1.00 1.40 H new ATOM 0 HD12 LEU A 67 3.052 -0.803 1.075 1.00 1.40 H new ATOM 0 HD13 LEU A 67 2.680 0.717 1.922 1.00 1.40 H new ATOM 0 HD21 LEU A 67 4.727 0.253 4.249 1.00 1.31 H new ATOM 0 HD22 LEU A 67 3.065 0.856 4.451 1.00 1.31 H new ATOM 0 HD23 LEU A 67 3.598 -0.595 5.332 1.00 1.31 H new ATOM 1079 N HIS A 68 -0.736 -1.863 5.376 1.00 0.35 N ATOM 1080 CA HIS A 68 -2.102 -2.234 5.575 1.00 0.37 C ATOM 1081 C HIS A 68 -2.959 -1.455 4.639 1.00 0.35 C ATOM 1082 O HIS A 68 -2.748 -0.247 4.545 1.00 0.48 O ATOM 1083 CB HIS A 68 -2.557 -1.813 6.982 1.00 0.49 C ATOM 1084 CG HIS A 68 -1.757 -2.302 8.154 1.00 0.75 C ATOM 1085 ND1 HIS A 68 -0.588 -1.683 8.548 1.00 1.35 N ATOM 1086 CD2 HIS A 68 -1.830 -3.345 9.024 1.00 1.48 C ATOM 1087 CE1 HIS A 68 -0.070 -2.321 9.632 1.00 1.41 C ATOM 1088 NE2 HIS A 68 -0.773 -3.403 9.910 1.00 1.51 N ATOM 0 H HIS A 68 -0.507 -0.935 5.732 1.00 0.35 H new ATOM 0 HA HIS A 68 -2.188 -3.310 5.425 1.00 0.37 H new ATOM 0 HB2 HIS A 68 -2.570 -0.724 7.017 1.00 0.49 H new ATOM 0 HB3 HIS A 68 -3.585 -2.149 7.115 1.00 0.49 H new ATOM 0 HD2 HIS A 68 -2.639 -4.061 9.022 1.00 1.48 H new ATOM 0 HE1 HIS A 68 0.795 -1.989 10.187 1.00 1.41 H new ATOM 0 HE2 HIS A 68 -0.580 -4.115 10.614 1.00 1.51 H new ATOM 1096 N LEU A 69 -3.886 -2.172 3.978 1.00 0.36 N ATOM 1097 CA LEU A 69 -4.768 -1.573 3.026 1.00 0.38 C ATOM 1098 C LEU A 69 -6.158 -1.579 3.564 1.00 0.41 C ATOM 1099 O LEU A 69 -6.763 -2.640 3.713 1.00 0.56 O ATOM 1100 CB LEU A 69 -4.809 -2.570 1.856 1.00 0.48 C ATOM 1101 CG LEU A 69 -5.721 -1.990 0.761 1.00 0.56 C ATOM 1102 CD1 LEU A 69 -5.008 -0.790 0.116 1.00 1.01 C ATOM 1103 CD2 LEU A 69 -5.962 -3.022 -0.354 1.00 1.14 C ATOM 0 H LEU A 69 -4.025 -3.175 4.105 1.00 0.36 H new ATOM 0 HA LEU A 69 -4.445 -0.563 2.775 1.00 0.38 H new ATOM 0 HB2 LEU A 69 -3.806 -2.738 1.465 1.00 0.48 H new ATOM 0 HB3 LEU A 69 -5.186 -3.536 2.193 1.00 0.48 H new ATOM 0 HG LEU A 69 -6.670 -1.708 1.217 1.00 0.56 H new ATOM 0 HD11 LEU A 69 -5.641 -0.366 -0.663 1.00 1.01 H new ATOM 0 HD12 LEU A 69 -4.811 -0.033 0.875 1.00 1.01 H new ATOM 0 HD13 LEU A 69 -4.065 -1.119 -0.321 1.00 1.01 H new ATOM 0 HD21 LEU A 69 -6.609 -2.589 -1.117 1.00 1.14 H new ATOM 0 HD22 LEU A 69 -5.009 -3.302 -0.803 1.00 1.14 H new ATOM 0 HD23 LEU A 69 -6.439 -3.907 0.067 1.00 1.14 H new ATOM 1115 N VAL A 70 -6.757 -0.382 3.692 1.00 0.45 N ATOM 1116 CA VAL A 70 -8.145 -0.178 3.967 1.00 0.56 C ATOM 1117 C VAL A 70 -8.810 0.550 2.850 1.00 0.55 C ATOM 1118 O VAL A 70 -8.094 0.912 1.916 1.00 0.58 O ATOM 1119 CB VAL A 70 -8.474 0.408 5.308 1.00 0.77 C ATOM 1120 CG1 VAL A 70 -7.770 -0.409 6.404 1.00 1.23 C ATOM 1121 CG2 VAL A 70 -7.980 1.844 5.550 1.00 0.97 C ATOM 0 H VAL A 70 -6.242 0.494 3.598 1.00 0.45 H new ATOM 0 HA VAL A 70 -8.562 -1.183 4.033 1.00 0.56 H new ATOM 0 HB VAL A 70 -9.564 0.395 5.334 1.00 0.77 H new ATOM 0 HG11 VAL A 70 -8.006 0.013 7.381 1.00 1.23 H new ATOM 0 HG12 VAL A 70 -8.112 -1.443 6.363 1.00 1.23 H new ATOM 0 HG13 VAL A 70 -6.692 -0.377 6.246 1.00 1.23 H new ATOM 0 HG21 VAL A 70 -8.273 2.166 6.549 1.00 0.97 H new ATOM 0 HG22 VAL A 70 -6.894 1.875 5.463 1.00 0.97 H new ATOM 0 HG23 VAL A 70 -8.423 2.511 4.810 1.00 0.97 H new ATOM 1131 N LEU A 71 -10.147 0.605 2.726 1.00 0.73 N ATOM 1132 CA LEU A 71 -10.777 1.373 1.696 1.00 0.84 C ATOM 1133 C LEU A 71 -11.391 2.642 2.177 1.00 0.85 C ATOM 1134 O LEU A 71 -11.785 2.731 3.339 1.00 1.03 O ATOM 1135 CB LEU A 71 -11.706 0.410 0.938 1.00 1.26 C ATOM 1136 CG LEU A 71 -10.973 -0.661 0.114 1.00 1.86 C ATOM 1137 CD1 LEU A 71 -12.041 -1.422 -0.690 1.00 1.95 C ATOM 1138 CD2 LEU A 71 -9.908 -0.130 -0.858 1.00 2.78 C ATOM 0 H LEU A 71 -10.796 0.115 3.342 1.00 0.73 H new ATOM 0 HA LEU A 71 -10.043 1.769 0.995 1.00 0.84 H new ATOM 0 HB2 LEU A 71 -12.360 -0.085 1.656 1.00 1.26 H new ATOM 0 HB3 LEU A 71 -12.345 0.990 0.272 1.00 1.26 H new ATOM 0 HG LEU A 71 -10.427 -1.286 0.821 1.00 1.86 H new ATOM 0 HD11 LEU A 71 -11.562 -2.195 -1.291 1.00 1.95 H new ATOM 0 HD12 LEU A 71 -12.752 -1.884 -0.005 1.00 1.95 H new ATOM 0 HD13 LEU A 71 -12.567 -0.727 -1.344 1.00 1.95 H new ATOM 0 HD21 LEU A 71 -9.452 -0.965 -1.389 1.00 2.78 H new ATOM 0 HD22 LEU A 71 -10.374 0.545 -1.575 1.00 2.78 H new ATOM 0 HD23 LEU A 71 -9.141 0.407 -0.300 1.00 2.78 H new