USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=16 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 7 THR OG1 : rot 136:sc= 1.58 USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= 0.826 USER MOD Single : A 1 MET CE :methyl -149:sc= -0.0192 (180deg=-0.476) USER MOD Single : A 1 MET N :NH3+ -148:sc= 2.41 (180deg=1.37) USER MOD Single : A 2 GLN : amide:sc= -0.0517 X(o=-0.052,f=0.2) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0357 USER MOD Single : A 22 THR OG1 : rot -170:sc= 0.0114 USER MOD Single : A 25 ASN : amide:sc= -0.0165 K(o=-0.016,f=-0.74) USER MOD Single : A 27 LYS NZ :NH3+ 139:sc= 1.18 (180deg=0.911) USER MOD Single : A 29 LYS NZ :NH3+ -151:sc= 0.638 (180deg=0.27) USER MOD Single : A 31 GLN : amide:sc= -0.275 X(o=-0.28,f=-0.54) USER MOD Single : A 33 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0139) USER MOD Single : A 40 GLN : amide:sc= -0.5 K(o=-0.5,f=-3.4!) USER MOD Single : A 41 GLN : amide:sc= 0.401 K(o=0.4,f=-2!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.028 K(o=-0.028,f=-0.72) USER MOD Single : A 55 THR OG1 : rot -69:sc= 1.33 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 150:sc= 0.0214 USER MOD Single : A 60 ASN : amide:sc= -0.0452 X(o=-0.045,f=-0.049) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 115:sc= 1.24 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=-0.003) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.624 -4.873 -4.255 1.00 0.78 N ATOM 2 CA MET A 1 12.275 -4.632 -2.836 1.00 0.70 C ATOM 3 C MET A 1 10.957 -5.207 -2.448 1.00 0.62 C ATOM 4 O MET A 1 9.878 -4.718 -2.781 1.00 0.68 O ATOM 5 CB MET A 1 12.464 -3.148 -2.485 1.00 0.75 C ATOM 6 CG MET A 1 12.017 -2.856 -1.050 1.00 0.79 C ATOM 7 SD MET A 1 12.367 -1.200 -0.389 1.00 1.10 S ATOM 8 CE MET A 1 10.705 -0.490 -0.216 1.00 0.84 C ATOM 0 H1 MET A 1 13.656 -4.967 -4.348 1.00 0.78 H new ATOM 0 H2 MET A 1 12.166 -5.748 -4.581 1.00 0.78 H new ATOM 0 H3 MET A 1 12.296 -4.074 -4.834 1.00 0.78 H new ATOM 0 HA MET A 1 12.975 -5.187 -2.212 1.00 0.70 H new ATOM 0 HB2 MET A 1 13.512 -2.874 -2.605 1.00 0.75 H new ATOM 0 HB3 MET A 1 11.892 -2.532 -3.179 1.00 0.75 H new ATOM 0 HG2 MET A 1 10.941 -3.022 -0.991 1.00 0.79 H new ATOM 0 HG3 MET A 1 12.489 -3.588 -0.394 1.00 0.79 H new ATOM 0 HE1 MET A 1 10.753 0.589 -0.365 1.00 0.84 H new ATOM 0 HE2 MET A 1 10.042 -0.930 -0.961 1.00 0.84 H new ATOM 0 HE3 MET A 1 10.321 -0.702 0.782 1.00 0.84 H new ATOM 20 N GLN A 2 10.879 -6.307 -1.677 1.00 0.59 N ATOM 21 CA GLN A 2 9.618 -6.885 -1.331 1.00 0.56 C ATOM 22 C GLN A 2 8.953 -6.238 -0.166 1.00 0.50 C ATOM 23 O GLN A 2 9.516 -6.170 0.926 1.00 0.60 O ATOM 24 CB GLN A 2 9.822 -8.390 -1.090 1.00 0.71 C ATOM 25 CG GLN A 2 8.614 -9.178 -0.576 1.00 1.15 C ATOM 26 CD GLN A 2 8.842 -10.675 -0.726 1.00 1.30 C ATOM 27 OE1 GLN A 2 8.931 -11.310 0.325 1.00 1.87 O ATOM 28 NE2 GLN A 2 8.987 -11.174 -1.983 1.00 1.72 N ATOM 0 H GLN A 2 11.688 -6.795 -1.294 1.00 0.59 H new ATOM 0 HA GLN A 2 8.937 -6.717 -2.166 1.00 0.56 H new ATOM 0 HB2 GLN A 2 10.149 -8.842 -2.026 1.00 0.71 H new ATOM 0 HB3 GLN A 2 10.636 -8.512 -0.375 1.00 0.71 H new ATOM 0 HG2 GLN A 2 8.435 -8.936 0.472 1.00 1.15 H new ATOM 0 HG3 GLN A 2 7.721 -8.884 -1.128 1.00 1.15 H new ATOM 0 HE21 GLN A 2 8.893 -10.558 -2.790 1.00 1.72 H new ATOM 0 HE22 GLN A 2 9.190 -12.164 -2.118 1.00 1.72 H new ATOM 37 N ILE A 3 7.665 -5.876 -0.308 1.00 0.44 N ATOM 38 CA ILE A 3 6.833 -5.459 0.778 1.00 0.42 C ATOM 39 C ILE A 3 5.599 -6.295 0.777 1.00 0.40 C ATOM 40 O ILE A 3 5.408 -6.963 -0.238 1.00 0.50 O ATOM 41 CB ILE A 3 6.453 -4.009 0.739 1.00 0.48 C ATOM 42 CG1 ILE A 3 5.722 -3.610 -0.553 1.00 0.55 C ATOM 43 CG2 ILE A 3 7.778 -3.240 0.869 1.00 0.61 C ATOM 44 CD1 ILE A 3 5.020 -2.265 -0.371 1.00 0.72 C ATOM 0 H ILE A 3 7.187 -5.874 -1.209 1.00 0.44 H new ATOM 0 HA ILE A 3 7.413 -5.592 1.691 1.00 0.42 H new ATOM 0 HB ILE A 3 5.750 -3.781 1.541 1.00 0.48 H new ATOM 0 HG12 ILE A 3 6.433 -3.548 -1.377 1.00 0.55 H new ATOM 0 HG13 ILE A 3 4.993 -4.376 -0.818 1.00 0.55 H new ATOM 0 HG21 ILE A 3 7.580 -2.168 0.848 1.00 0.61 H new ATOM 0 HG22 ILE A 3 8.260 -3.502 1.811 1.00 0.61 H new ATOM 0 HG23 ILE A 3 8.435 -3.504 0.040 1.00 0.61 H new ATOM 0 HD11 ILE A 3 4.506 -1.995 -1.294 1.00 0.72 H new ATOM 0 HD12 ILE A 3 4.295 -2.340 0.439 1.00 0.72 H new ATOM 0 HD13 ILE A 3 5.757 -1.500 -0.129 1.00 0.72 H new ATOM 56 N PHE A 4 4.862 -6.337 1.901 1.00 0.37 N ATOM 57 CA PHE A 4 3.692 -7.147 2.041 1.00 0.38 C ATOM 58 C PHE A 4 2.566 -6.177 2.147 1.00 0.39 C ATOM 59 O PHE A 4 2.627 -5.220 2.918 1.00 0.60 O ATOM 60 CB PHE A 4 3.788 -7.978 3.332 1.00 0.45 C ATOM 61 CG PHE A 4 4.931 -8.930 3.244 1.00 0.51 C ATOM 62 CD1 PHE A 4 4.880 -9.876 2.246 1.00 1.16 C ATOM 63 CD2 PHE A 4 6.028 -8.889 4.071 1.00 1.30 C ATOM 64 CE1 PHE A 4 5.939 -10.725 2.025 1.00 1.23 C ATOM 65 CE2 PHE A 4 7.105 -9.713 3.843 1.00 1.40 C ATOM 66 CZ PHE A 4 7.051 -10.640 2.829 1.00 0.85 C ATOM 0 H PHE A 4 5.085 -5.793 2.735 1.00 0.37 H new ATOM 0 HA PHE A 4 3.564 -7.840 1.210 1.00 0.38 H new ATOM 0 HB2 PHE A 4 3.919 -7.318 4.190 1.00 0.45 H new ATOM 0 HB3 PHE A 4 2.859 -8.526 3.491 1.00 0.45 H new ATOM 0 HD1 PHE A 4 3.997 -9.953 1.629 1.00 1.16 H new ATOM 0 HD2 PHE A 4 6.044 -8.204 4.906 1.00 1.30 H new ATOM 0 HE1 PHE A 4 5.898 -11.452 1.227 1.00 1.23 H new ATOM 0 HE2 PHE A 4 7.989 -9.632 4.458 1.00 1.40 H new ATOM 0 HZ PHE A 4 7.886 -11.305 2.663 1.00 0.85 H new ATOM 76 N VAL A 5 1.476 -6.521 1.438 1.00 0.35 N ATOM 77 CA VAL A 5 0.268 -5.764 1.556 1.00 0.35 C ATOM 78 C VAL A 5 -0.714 -6.580 2.324 1.00 0.35 C ATOM 79 O VAL A 5 -0.979 -7.727 1.971 1.00 0.46 O ATOM 80 CB VAL A 5 -0.328 -5.312 0.256 1.00 0.44 C ATOM 81 CG1 VAL A 5 -1.361 -4.205 0.531 1.00 0.58 C ATOM 82 CG2 VAL A 5 0.834 -4.721 -0.559 1.00 0.56 C ATOM 0 H VAL A 5 1.430 -7.310 0.793 1.00 0.35 H new ATOM 0 HA VAL A 5 0.521 -4.839 2.074 1.00 0.35 H new ATOM 0 HB VAL A 5 -0.820 -6.131 -0.270 1.00 0.44 H new ATOM 0 HG11 VAL A 5 -1.798 -3.873 -0.411 1.00 0.58 H new ATOM 0 HG12 VAL A 5 -2.147 -4.594 1.178 1.00 0.58 H new ATOM 0 HG13 VAL A 5 -0.871 -3.364 1.021 1.00 0.58 H new ATOM 0 HG21 VAL A 5 0.462 -4.372 -1.522 1.00 0.56 H new ATOM 0 HG22 VAL A 5 1.272 -3.884 -0.014 1.00 0.56 H new ATOM 0 HG23 VAL A 5 1.593 -5.487 -0.719 1.00 0.56 H new ATOM 92 N LYS A 6 -1.228 -6.122 3.479 1.00 0.36 N ATOM 93 CA LYS A 6 -2.184 -6.810 4.290 1.00 0.39 C ATOM 94 C LYS A 6 -3.573 -6.356 3.996 1.00 0.46 C ATOM 95 O LYS A 6 -3.900 -5.178 4.131 1.00 0.53 O ATOM 96 CB LYS A 6 -1.710 -6.576 5.734 1.00 0.54 C ATOM 97 CG LYS A 6 -2.423 -7.241 6.914 1.00 1.22 C ATOM 98 CD LYS A 6 -1.990 -8.698 7.090 1.00 1.37 C ATOM 99 CE LYS A 6 -2.452 -9.325 8.407 1.00 1.93 C ATOM 100 NZ LYS A 6 -2.036 -10.743 8.479 1.00 2.09 N ATOM 0 H LYS A 6 -0.960 -5.218 3.869 1.00 0.36 H new ATOM 0 HA LYS A 6 -2.235 -7.880 4.091 1.00 0.39 H new ATOM 0 HB2 LYS A 6 -0.664 -6.880 5.780 1.00 0.54 H new ATOM 0 HB3 LYS A 6 -1.737 -5.500 5.909 1.00 0.54 H new ATOM 0 HG2 LYS A 6 -2.210 -6.685 7.827 1.00 1.22 H new ATOM 0 HG3 LYS A 6 -3.501 -7.198 6.759 1.00 1.22 H new ATOM 0 HD2 LYS A 6 -2.383 -9.287 6.261 1.00 1.37 H new ATOM 0 HD3 LYS A 6 -0.903 -8.753 7.034 1.00 1.37 H new ATOM 0 HE2 LYS A 6 -2.031 -8.773 9.247 1.00 1.93 H new ATOM 0 HE3 LYS A 6 -3.536 -9.253 8.490 1.00 1.93 H new ATOM 0 HZ1 LYS A 6 -2.357 -11.154 9.379 1.00 2.09 H new ATOM 0 HZ2 LYS A 6 -2.458 -11.269 7.688 1.00 2.09 H new ATOM 0 HZ3 LYS A 6 -0.999 -10.804 8.421 1.00 2.09 H new ATOM 114 N THR A 7 -4.506 -7.170 3.471 1.00 0.58 N ATOM 115 CA THR A 7 -5.867 -6.758 3.323 1.00 0.78 C ATOM 116 C THR A 7 -6.715 -6.835 4.546 1.00 0.94 C ATOM 117 O THR A 7 -6.264 -7.238 5.617 1.00 0.99 O ATOM 118 CB THR A 7 -6.568 -7.518 2.237 1.00 0.90 C ATOM 119 OG1 THR A 7 -6.926 -8.846 2.594 1.00 0.90 O ATOM 120 CG2 THR A 7 -5.669 -7.595 0.991 1.00 0.92 C ATOM 0 H THR A 7 -4.316 -8.119 3.147 1.00 0.58 H new ATOM 0 HA THR A 7 -5.762 -5.702 3.074 1.00 0.78 H new ATOM 0 HB THR A 7 -7.489 -6.968 2.046 1.00 0.90 H new ATOM 0 HG1 THR A 7 -7.839 -9.032 2.289 1.00 0.90 H new ATOM 0 HG21 THR A 7 -6.183 -8.148 0.205 1.00 0.92 H new ATOM 0 HG22 THR A 7 -5.447 -6.587 0.640 1.00 0.92 H new ATOM 0 HG23 THR A 7 -4.739 -8.104 1.244 1.00 0.92 H new ATOM 128 N LEU A 8 -7.968 -6.356 4.445 1.00 1.17 N ATOM 129 CA LEU A 8 -8.925 -6.422 5.505 1.00 1.39 C ATOM 130 C LEU A 8 -9.507 -7.793 5.504 1.00 1.44 C ATOM 131 O LEU A 8 -10.088 -8.242 6.491 1.00 1.60 O ATOM 132 CB LEU A 8 -10.140 -5.501 5.297 1.00 1.66 C ATOM 133 CG LEU A 8 -9.790 -4.013 5.466 1.00 2.11 C ATOM 134 CD1 LEU A 8 -10.916 -3.117 4.926 1.00 2.53 C ATOM 135 CD2 LEU A 8 -9.438 -3.581 6.900 1.00 2.43 C ATOM 0 H LEU A 8 -8.326 -5.910 3.601 1.00 1.17 H new ATOM 0 HA LEU A 8 -8.396 -6.136 6.414 1.00 1.39 H new ATOM 0 HB2 LEU A 8 -10.548 -5.663 4.299 1.00 1.66 H new ATOM 0 HB3 LEU A 8 -10.921 -5.770 6.008 1.00 1.66 H new ATOM 0 HG LEU A 8 -8.880 -3.884 4.880 1.00 2.11 H new ATOM 0 HD11 LEU A 8 -10.643 -2.070 5.058 1.00 2.53 H new ATOM 0 HD12 LEU A 8 -11.067 -3.322 3.866 1.00 2.53 H new ATOM 0 HD13 LEU A 8 -11.838 -3.323 5.471 1.00 2.53 H new ATOM 0 HD21 LEU A 8 -9.207 -2.516 6.913 1.00 2.43 H new ATOM 0 HD22 LEU A 8 -10.285 -3.776 7.557 1.00 2.43 H new ATOM 0 HD23 LEU A 8 -8.572 -4.144 7.247 1.00 2.43 H new ATOM 147 N THR A 9 -9.505 -8.526 4.376 1.00 1.41 N ATOM 148 CA THR A 9 -9.968 -9.879 4.359 1.00 1.51 C ATOM 149 C THR A 9 -8.986 -10.736 5.082 1.00 1.37 C ATOM 150 O THR A 9 -9.469 -11.608 5.802 1.00 1.62 O ATOM 151 CB THR A 9 -10.365 -10.322 2.983 1.00 1.65 C ATOM 152 OG1 THR A 9 -9.349 -10.087 2.019 1.00 1.89 O ATOM 153 CG2 THR A 9 -11.663 -9.624 2.539 1.00 2.08 C ATOM 0 H THR A 9 -9.181 -8.180 3.473 1.00 1.41 H new ATOM 0 HA THR A 9 -10.904 -9.978 4.908 1.00 1.51 H new ATOM 0 HB THR A 9 -10.526 -11.398 3.041 1.00 1.65 H new ATOM 0 HG1 THR A 9 -9.655 -10.394 1.140 1.00 1.89 H new ATOM 0 HG21 THR A 9 -11.933 -9.960 1.538 1.00 2.08 H new ATOM 0 HG22 THR A 9 -12.466 -9.872 3.234 1.00 2.08 H new ATOM 0 HG23 THR A 9 -11.511 -8.545 2.531 1.00 2.08 H new ATOM 161 N GLY A 10 -7.668 -10.517 4.923 1.00 1.18 N ATOM 162 CA GLY A 10 -6.607 -11.277 5.504 1.00 1.22 C ATOM 163 C GLY A 10 -5.802 -12.040 4.509 1.00 0.99 C ATOM 164 O GLY A 10 -5.529 -13.235 4.619 1.00 1.31 O ATOM 0 H GLY A 10 -7.321 -9.751 4.345 1.00 1.18 H new ATOM 0 HA2 GLY A 10 -5.948 -10.604 6.052 1.00 1.22 H new ATOM 0 HA3 GLY A 10 -7.026 -11.974 6.230 1.00 1.22 H new ATOM 168 N LYS A 11 -5.354 -11.329 3.460 1.00 0.73 N ATOM 169 CA LYS A 11 -4.581 -11.870 2.385 1.00 0.60 C ATOM 170 C LYS A 11 -3.377 -10.991 2.411 1.00 0.51 C ATOM 171 O LYS A 11 -3.349 -9.794 2.691 1.00 0.63 O ATOM 172 CB LYS A 11 -5.305 -11.681 1.041 1.00 0.75 C ATOM 173 CG LYS A 11 -4.472 -11.762 -0.239 1.00 0.87 C ATOM 174 CD LYS A 11 -3.984 -13.170 -0.588 1.00 1.04 C ATOM 175 CE LYS A 11 -3.207 -13.184 -1.906 1.00 1.30 C ATOM 176 NZ LYS A 11 -2.697 -14.559 -2.112 1.00 1.40 N ATOM 0 H LYS A 11 -5.539 -10.331 3.356 1.00 0.73 H new ATOM 0 HA LYS A 11 -4.382 -12.937 2.487 1.00 0.60 H new ATOM 0 HB2 LYS A 11 -6.091 -12.433 0.976 1.00 0.75 H new ATOM 0 HB3 LYS A 11 -5.796 -10.708 1.060 1.00 0.75 H new ATOM 0 HG2 LYS A 11 -5.066 -11.380 -1.069 1.00 0.87 H new ATOM 0 HG3 LYS A 11 -3.608 -11.106 -0.138 1.00 0.87 H new ATOM 0 HD2 LYS A 11 -3.348 -13.545 0.214 1.00 1.04 H new ATOM 0 HD3 LYS A 11 -4.837 -13.844 -0.660 1.00 1.04 H new ATOM 0 HE2 LYS A 11 -3.852 -12.887 -2.733 1.00 1.30 H new ATOM 0 HE3 LYS A 11 -2.383 -12.471 -1.872 1.00 1.30 H new ATOM 0 HZ1 LYS A 11 -2.162 -14.601 -3.003 1.00 1.40 H new ATOM 0 HZ2 LYS A 11 -2.074 -14.820 -1.322 1.00 1.40 H new ATOM 0 HZ3 LYS A 11 -3.496 -15.223 -2.156 1.00 1.40 H new ATOM 190 N THR A 12 -2.202 -11.628 2.265 1.00 0.49 N ATOM 191 CA THR A 12 -0.917 -11.000 2.234 1.00 0.48 C ATOM 192 C THR A 12 -0.566 -10.925 0.789 1.00 0.52 C ATOM 193 O THR A 12 -0.533 -11.974 0.146 1.00 0.72 O ATOM 194 CB THR A 12 0.115 -11.845 2.921 1.00 0.64 C ATOM 195 OG1 THR A 12 -0.314 -12.034 4.261 1.00 0.77 O ATOM 196 CG2 THR A 12 1.465 -11.111 2.970 1.00 0.78 C ATOM 0 H THR A 12 -2.146 -12.641 2.163 1.00 0.49 H new ATOM 0 HA THR A 12 -0.943 -10.032 2.734 1.00 0.48 H new ATOM 0 HB THR A 12 0.231 -12.786 2.384 1.00 0.64 H new ATOM 0 HG1 THR A 12 0.340 -12.586 4.739 1.00 0.77 H new ATOM 0 HG21 THR A 12 2.202 -11.738 3.472 1.00 0.78 H new ATOM 0 HG22 THR A 12 1.800 -10.898 1.955 1.00 0.78 H new ATOM 0 HG23 THR A 12 1.351 -10.176 3.518 1.00 0.78 H new ATOM 204 N ILE A 13 -0.402 -9.747 0.161 1.00 0.48 N ATOM 205 CA ILE A 13 -0.042 -9.669 -1.222 1.00 0.55 C ATOM 206 C ILE A 13 1.428 -9.420 -1.220 1.00 0.51 C ATOM 207 O ILE A 13 1.933 -8.597 -0.460 1.00 0.56 O ATOM 208 CB ILE A 13 -0.758 -8.583 -1.968 1.00 0.69 C ATOM 209 CG1 ILE A 13 -2.188 -8.342 -1.458 1.00 1.15 C ATOM 210 CG2 ILE A 13 -0.736 -8.858 -3.481 1.00 1.13 C ATOM 211 CD1 ILE A 13 -2.992 -7.423 -2.379 1.00 1.55 C ATOM 0 H ILE A 13 -0.520 -8.841 0.615 1.00 0.48 H new ATOM 0 HA ILE A 13 -0.324 -10.587 -1.738 1.00 0.55 H new ATOM 0 HB ILE A 13 -0.214 -7.658 -1.776 1.00 0.69 H new ATOM 0 HG12 ILE A 13 -2.703 -9.298 -1.365 1.00 1.15 H new ATOM 0 HG13 ILE A 13 -2.146 -7.904 -0.461 1.00 1.15 H new ATOM 0 HG21 ILE A 13 -1.261 -8.058 -4.004 1.00 1.13 H new ATOM 0 HG22 ILE A 13 0.296 -8.902 -3.828 1.00 1.13 H new ATOM 0 HG23 ILE A 13 -1.228 -9.809 -3.685 1.00 1.13 H new ATOM 0 HD11 ILE A 13 -3.994 -7.286 -1.972 1.00 1.55 H new ATOM 0 HD12 ILE A 13 -2.495 -6.456 -2.452 1.00 1.55 H new ATOM 0 HD13 ILE A 13 -3.061 -7.871 -3.370 1.00 1.55 H new ATOM 223 N THR A 14 2.107 -10.070 -2.183 1.00 0.55 N ATOM 224 CA THR A 14 3.534 -10.016 -2.268 1.00 0.54 C ATOM 225 C THR A 14 3.789 -9.199 -3.487 1.00 0.55 C ATOM 226 O THR A 14 3.530 -9.555 -4.636 1.00 0.72 O ATOM 227 CB THR A 14 4.194 -11.359 -2.364 1.00 0.67 C ATOM 228 OG1 THR A 14 3.969 -12.160 -1.213 1.00 1.08 O ATOM 229 CG2 THR A 14 5.729 -11.269 -2.422 1.00 1.03 C ATOM 0 H THR A 14 1.664 -10.636 -2.907 1.00 0.55 H new ATOM 0 HA THR A 14 3.960 -9.591 -1.359 1.00 0.54 H new ATOM 0 HB THR A 14 3.762 -11.782 -3.271 1.00 0.67 H new ATOM 0 HG1 THR A 14 4.417 -13.025 -1.324 1.00 1.08 H new ATOM 0 HG21 THR A 14 6.150 -12.272 -2.491 1.00 1.03 H new ATOM 0 HG22 THR A 14 6.027 -10.690 -3.296 1.00 1.03 H new ATOM 0 HG23 THR A 14 6.099 -10.781 -1.520 1.00 1.03 H new ATOM 237 N LEU A 15 4.264 -7.956 -3.294 1.00 0.50 N ATOM 238 CA LEU A 15 4.614 -7.040 -4.336 1.00 0.55 C ATOM 239 C LEU A 15 6.098 -7.018 -4.466 1.00 0.52 C ATOM 240 O LEU A 15 6.887 -7.427 -3.616 1.00 0.58 O ATOM 241 CB LEU A 15 4.149 -5.578 -4.232 1.00 0.69 C ATOM 242 CG LEU A 15 2.709 -5.265 -3.791 1.00 0.76 C ATOM 243 CD1 LEU A 15 2.524 -3.747 -3.629 1.00 1.38 C ATOM 244 CD2 LEU A 15 1.600 -5.843 -4.684 1.00 1.55 C ATOM 0 H LEU A 15 4.412 -7.569 -2.362 1.00 0.50 H new ATOM 0 HA LEU A 15 4.070 -7.434 -5.194 1.00 0.55 H new ATOM 0 HB2 LEU A 15 4.819 -5.072 -3.537 1.00 0.69 H new ATOM 0 HB3 LEU A 15 4.297 -5.119 -5.210 1.00 0.69 H new ATOM 0 HG LEU A 15 2.591 -5.776 -2.835 1.00 0.76 H new ATOM 0 HD11 LEU A 15 1.501 -3.536 -3.317 1.00 1.38 H new ATOM 0 HD12 LEU A 15 3.218 -3.374 -2.875 1.00 1.38 H new ATOM 0 HD13 LEU A 15 2.722 -3.253 -4.580 1.00 1.38 H new ATOM 0 HD21 LEU A 15 0.626 -5.563 -4.282 1.00 1.55 H new ATOM 0 HD22 LEU A 15 1.703 -5.447 -5.694 1.00 1.55 H new ATOM 0 HD23 LEU A 15 1.683 -6.930 -4.710 1.00 1.55 H new ATOM 256 N GLU A 16 6.612 -6.549 -5.617 1.00 0.59 N ATOM 257 CA GLU A 16 7.965 -6.266 -5.984 1.00 0.63 C ATOM 258 C GLU A 16 8.054 -4.819 -6.326 1.00 0.65 C ATOM 259 O GLU A 16 7.659 -4.410 -7.417 1.00 0.81 O ATOM 260 CB GLU A 16 8.393 -7.185 -7.141 1.00 0.76 C ATOM 261 CG GLU A 16 9.899 -7.282 -7.386 1.00 1.41 C ATOM 262 CD GLU A 16 10.586 -7.746 -6.109 1.00 1.52 C ATOM 263 OE1 GLU A 16 10.550 -8.922 -5.659 1.00 1.95 O ATOM 264 OE2 GLU A 16 11.276 -6.856 -5.542 1.00 1.92 O ATOM 0 H GLU A 16 5.986 -6.341 -6.395 1.00 0.59 H new ATOM 0 HA GLU A 16 8.654 -6.465 -5.163 1.00 0.63 H new ATOM 0 HB2 GLU A 16 8.010 -8.187 -6.946 1.00 0.76 H new ATOM 0 HB3 GLU A 16 7.916 -6.833 -8.056 1.00 0.76 H new ATOM 0 HG2 GLU A 16 10.103 -7.981 -8.197 1.00 1.41 H new ATOM 0 HG3 GLU A 16 10.293 -6.313 -7.693 1.00 1.41 H new ATOM 271 N VAL A 17 8.686 -4.045 -5.426 1.00 0.61 N ATOM 272 CA VAL A 17 8.790 -2.620 -5.478 1.00 0.63 C ATOM 273 C VAL A 17 10.229 -2.229 -5.499 1.00 0.65 C ATOM 274 O VAL A 17 11.128 -3.067 -5.549 1.00 0.76 O ATOM 275 CB VAL A 17 7.956 -1.853 -4.495 1.00 0.70 C ATOM 276 CG1 VAL A 17 6.465 -2.035 -4.822 1.00 0.96 C ATOM 277 CG2 VAL A 17 8.250 -2.374 -3.077 1.00 0.92 C ATOM 0 H VAL A 17 9.154 -4.440 -4.610 1.00 0.61 H new ATOM 0 HA VAL A 17 8.325 -2.312 -6.415 1.00 0.63 H new ATOM 0 HB VAL A 17 8.200 -0.792 -4.553 1.00 0.70 H new ATOM 0 HG11 VAL A 17 5.864 -1.476 -4.105 1.00 0.96 H new ATOM 0 HG12 VAL A 17 6.266 -1.666 -5.828 1.00 0.96 H new ATOM 0 HG13 VAL A 17 6.207 -3.092 -4.765 1.00 0.96 H new ATOM 0 HG21 VAL A 17 7.648 -1.822 -2.355 1.00 0.92 H new ATOM 0 HG22 VAL A 17 8.003 -3.434 -3.020 1.00 0.92 H new ATOM 0 HG23 VAL A 17 9.307 -2.235 -2.850 1.00 0.92 H new ATOM 287 N GLU A 18 10.512 -0.921 -5.373 1.00 0.68 N ATOM 288 CA GLU A 18 11.803 -0.358 -5.123 1.00 0.74 C ATOM 289 C GLU A 18 11.746 0.838 -4.237 1.00 0.71 C ATOM 290 O GLU A 18 10.645 1.243 -3.866 1.00 0.74 O ATOM 291 CB GLU A 18 12.435 0.000 -6.480 1.00 0.88 C ATOM 292 CG GLU A 18 13.057 -1.148 -7.278 1.00 1.16 C ATOM 293 CD GLU A 18 13.578 -0.669 -8.625 1.00 1.71 C ATOM 294 OE1 GLU A 18 12.708 -0.545 -9.528 1.00 2.35 O ATOM 295 OE2 GLU A 18 14.779 -0.317 -8.771 1.00 2.33 O ATOM 0 H GLU A 18 9.788 -0.207 -5.451 1.00 0.68 H new ATOM 0 HA GLU A 18 12.410 -1.093 -4.594 1.00 0.74 H new ATOM 0 HB2 GLU A 18 11.669 0.467 -7.099 1.00 0.88 H new ATOM 0 HB3 GLU A 18 13.206 0.750 -6.308 1.00 0.88 H new ATOM 0 HG2 GLU A 18 13.873 -1.590 -6.707 1.00 1.16 H new ATOM 0 HG3 GLU A 18 12.314 -1.931 -7.431 1.00 1.16 H new ATOM 302 N PRO A 19 12.772 1.537 -3.851 1.00 0.74 N ATOM 303 CA PRO A 19 12.557 2.618 -2.934 1.00 0.74 C ATOM 304 C PRO A 19 11.975 3.857 -3.522 1.00 0.70 C ATOM 305 O PRO A 19 11.352 4.603 -2.767 1.00 0.74 O ATOM 306 CB PRO A 19 13.982 2.962 -2.508 1.00 0.86 C ATOM 307 CG PRO A 19 14.678 1.593 -2.440 1.00 0.95 C ATOM 308 CD PRO A 19 14.045 0.865 -3.637 1.00 0.82 C ATOM 0 HA PRO A 19 11.850 2.309 -2.164 1.00 0.74 H new ATOM 0 HB2 PRO A 19 14.467 3.623 -3.226 1.00 0.86 H new ATOM 0 HB3 PRO A 19 14.001 3.470 -1.544 1.00 0.86 H new ATOM 0 HG2 PRO A 19 15.760 1.678 -2.538 1.00 0.95 H new ATOM 0 HG3 PRO A 19 14.482 1.080 -1.498 1.00 0.95 H new ATOM 0 HD2 PRO A 19 14.680 0.930 -4.520 1.00 0.82 H new ATOM 0 HD3 PRO A 19 13.902 -0.195 -3.425 1.00 0.82 H new ATOM 316 N SER A 20 12.221 4.112 -4.819 1.00 0.70 N ATOM 317 CA SER A 20 11.814 5.248 -5.587 1.00 0.74 C ATOM 318 C SER A 20 10.386 5.196 -6.011 1.00 0.71 C ATOM 319 O SER A 20 9.849 6.286 -6.202 1.00 0.80 O ATOM 320 CB SER A 20 12.603 5.336 -6.904 1.00 0.89 C ATOM 321 OG SER A 20 12.726 4.074 -7.543 1.00 1.45 O ATOM 0 H SER A 20 12.759 3.455 -5.384 1.00 0.70 H new ATOM 0 HA SER A 20 11.990 6.095 -4.924 1.00 0.74 H new ATOM 0 HB2 SER A 20 12.106 6.035 -7.577 1.00 0.89 H new ATOM 0 HB3 SER A 20 13.596 5.738 -6.704 1.00 0.89 H new ATOM 0 HG SER A 20 13.232 4.177 -8.376 1.00 1.45 H new ATOM 327 N ASP A 21 9.678 4.054 -6.060 1.00 0.70 N ATOM 328 CA ASP A 21 8.272 3.969 -6.312 1.00 0.73 C ATOM 329 C ASP A 21 7.465 4.791 -5.367 1.00 0.64 C ATOM 330 O ASP A 21 7.617 4.738 -4.148 1.00 0.66 O ATOM 331 CB ASP A 21 7.815 2.502 -6.269 1.00 0.87 C ATOM 332 CG ASP A 21 8.223 1.836 -7.576 1.00 1.05 C ATOM 333 OD1 ASP A 21 9.345 1.268 -7.644 1.00 1.69 O ATOM 334 OD2 ASP A 21 7.380 1.813 -8.512 1.00 1.50 O ATOM 0 H ASP A 21 10.109 3.141 -5.916 1.00 0.70 H new ATOM 0 HA ASP A 21 8.101 4.377 -7.308 1.00 0.73 H new ATOM 0 HB2 ASP A 21 8.270 1.987 -5.422 1.00 0.87 H new ATOM 0 HB3 ASP A 21 6.735 2.444 -6.134 1.00 0.87 H new ATOM 339 N THR A 22 6.423 5.447 -5.909 1.00 0.63 N ATOM 340 CA THR A 22 5.468 6.202 -5.159 1.00 0.58 C ATOM 341 C THR A 22 4.382 5.342 -4.608 1.00 0.53 C ATOM 342 O THR A 22 4.251 4.162 -4.932 1.00 0.58 O ATOM 343 CB THR A 22 4.855 7.307 -5.969 1.00 0.63 C ATOM 344 OG1 THR A 22 4.222 6.843 -7.153 1.00 0.70 O ATOM 345 CG2 THR A 22 5.929 8.275 -6.496 1.00 0.75 C ATOM 0 H THR A 22 6.239 5.451 -6.912 1.00 0.63 H new ATOM 0 HA THR A 22 6.026 6.641 -4.332 1.00 0.58 H new ATOM 0 HB THR A 22 4.145 7.773 -5.285 1.00 0.63 H new ATOM 0 HG1 THR A 22 3.981 7.608 -7.716 1.00 0.70 H new ATOM 0 HG21 THR A 22 5.453 9.064 -7.079 1.00 0.75 H new ATOM 0 HG22 THR A 22 6.464 8.717 -5.656 1.00 0.75 H new ATOM 0 HG23 THR A 22 6.631 7.731 -7.128 1.00 0.75 H new ATOM 353 N ILE A 23 3.484 5.939 -3.806 1.00 0.51 N ATOM 354 CA ILE A 23 2.363 5.256 -3.240 1.00 0.48 C ATOM 355 C ILE A 23 1.361 5.060 -4.325 1.00 0.48 C ATOM 356 O ILE A 23 0.723 4.008 -4.293 1.00 0.51 O ATOM 357 CB ILE A 23 1.960 6.001 -2.001 1.00 0.52 C ATOM 358 CG1 ILE A 23 3.018 6.189 -0.901 1.00 0.60 C ATOM 359 CG2 ILE A 23 0.615 5.486 -1.465 1.00 0.61 C ATOM 360 CD1 ILE A 23 3.690 4.871 -0.519 1.00 0.73 C ATOM 0 H ILE A 23 3.538 6.923 -3.544 1.00 0.51 H new ATOM 0 HA ILE A 23 2.551 4.244 -2.881 1.00 0.48 H new ATOM 0 HB ILE A 23 1.842 7.028 -2.346 1.00 0.52 H new ATOM 0 HG12 ILE A 23 3.774 6.895 -1.243 1.00 0.60 H new ATOM 0 HG13 ILE A 23 2.550 6.626 -0.019 1.00 0.60 H new ATOM 0 HG21 ILE A 23 0.345 6.041 -0.567 1.00 0.61 H new ATOM 0 HG22 ILE A 23 -0.156 5.624 -2.223 1.00 0.61 H new ATOM 0 HG23 ILE A 23 0.701 4.426 -1.224 1.00 0.61 H new ATOM 0 HD11 ILE A 23 4.430 5.052 0.261 1.00 0.73 H new ATOM 0 HD12 ILE A 23 2.938 4.173 -0.151 1.00 0.73 H new ATOM 0 HD13 ILE A 23 4.182 4.447 -1.394 1.00 0.73 H new ATOM 372 N GLU A 24 1.230 5.999 -5.279 1.00 0.50 N ATOM 373 CA GLU A 24 0.553 5.917 -6.535 1.00 0.53 C ATOM 374 C GLU A 24 0.920 4.704 -7.320 1.00 0.50 C ATOM 375 O GLU A 24 0.076 3.919 -7.749 1.00 0.55 O ATOM 376 CB GLU A 24 0.679 7.273 -7.250 1.00 0.64 C ATOM 377 CG GLU A 24 -0.030 7.313 -8.607 1.00 0.95 C ATOM 378 CD GLU A 24 0.236 8.617 -9.344 1.00 1.05 C ATOM 379 OE1 GLU A 24 1.429 8.886 -9.649 1.00 1.56 O ATOM 380 OE2 GLU A 24 -0.718 9.362 -9.693 1.00 1.62 O ATOM 0 H GLU A 24 1.648 6.920 -5.151 1.00 0.50 H new ATOM 0 HA GLU A 24 -0.514 5.750 -6.385 1.00 0.53 H new ATOM 0 HB2 GLU A 24 0.267 8.053 -6.610 1.00 0.64 H new ATOM 0 HB3 GLU A 24 1.735 7.503 -7.393 1.00 0.64 H new ATOM 0 HG2 GLU A 24 0.306 6.475 -9.218 1.00 0.95 H new ATOM 0 HG3 GLU A 24 -1.103 7.190 -8.460 1.00 0.95 H new ATOM 387 N ASN A 25 2.218 4.352 -7.337 1.00 0.51 N ATOM 388 CA ASN A 25 2.730 3.192 -7.998 1.00 0.52 C ATOM 389 C ASN A 25 2.500 1.935 -7.233 1.00 0.47 C ATOM 390 O ASN A 25 2.297 0.895 -7.857 1.00 0.53 O ATOM 391 CB ASN A 25 4.228 3.314 -8.322 1.00 0.64 C ATOM 392 CG ASN A 25 4.405 4.230 -9.526 1.00 1.23 C ATOM 393 OD1 ASN A 25 3.520 4.805 -10.157 1.00 2.13 O ATOM 394 ND2 ASN A 25 5.700 4.413 -9.896 1.00 1.57 N ATOM 0 H ASN A 25 2.941 4.899 -6.870 1.00 0.51 H new ATOM 0 HA ASN A 25 2.168 3.135 -8.930 1.00 0.52 H new ATOM 0 HB2 ASN A 25 4.767 3.714 -7.463 1.00 0.64 H new ATOM 0 HB3 ASN A 25 4.648 2.331 -8.533 1.00 0.64 H new ATOM 0 HD21 ASN A 25 5.924 5.019 -10.685 1.00 1.57 H new ATOM 0 HD22 ASN A 25 6.448 3.944 -9.384 1.00 1.57 H new ATOM 401 N VAL A 26 2.421 1.976 -5.891 1.00 0.45 N ATOM 402 CA VAL A 26 2.044 0.880 -5.053 1.00 0.44 C ATOM 403 C VAL A 26 0.584 0.652 -5.245 1.00 0.40 C ATOM 404 O VAL A 26 0.196 -0.504 -5.407 1.00 0.44 O ATOM 405 CB VAL A 26 2.504 0.982 -3.629 1.00 0.50 C ATOM 406 CG1 VAL A 26 1.800 -0.071 -2.756 1.00 0.60 C ATOM 407 CG2 VAL A 26 4.033 0.859 -3.522 1.00 0.62 C ATOM 0 H VAL A 26 2.632 2.822 -5.361 1.00 0.45 H new ATOM 0 HA VAL A 26 2.583 -0.016 -5.362 1.00 0.44 H new ATOM 0 HB VAL A 26 2.231 1.970 -3.258 1.00 0.50 H new ATOM 0 HG11 VAL A 26 2.147 0.019 -1.727 1.00 0.60 H new ATOM 0 HG12 VAL A 26 0.722 0.089 -2.791 1.00 0.60 H new ATOM 0 HG13 VAL A 26 2.031 -1.068 -3.131 1.00 0.60 H new ATOM 0 HG21 VAL A 26 4.332 0.937 -2.477 1.00 0.62 H new ATOM 0 HG22 VAL A 26 4.349 -0.106 -3.919 1.00 0.62 H new ATOM 0 HG23 VAL A 26 4.503 1.658 -4.095 1.00 0.62 H new ATOM 417 N LYS A 27 -0.316 1.651 -5.304 1.00 0.40 N ATOM 418 CA LYS A 27 -1.688 1.558 -5.695 1.00 0.41 C ATOM 419 C LYS A 27 -1.874 0.948 -7.042 1.00 0.38 C ATOM 420 O LYS A 27 -2.859 0.236 -7.225 1.00 0.42 O ATOM 421 CB LYS A 27 -2.342 2.944 -5.560 1.00 0.51 C ATOM 422 CG LYS A 27 -2.543 3.316 -4.090 1.00 0.76 C ATOM 423 CD LYS A 27 -3.582 4.425 -3.911 1.00 0.82 C ATOM 424 CE LYS A 27 -3.907 4.749 -2.452 1.00 1.22 C ATOM 425 NZ LYS A 27 -4.537 6.088 -2.402 1.00 1.11 N ATOM 0 H LYS A 27 -0.058 2.606 -5.056 1.00 0.40 H new ATOM 0 HA LYS A 27 -2.196 0.868 -5.022 1.00 0.41 H new ATOM 0 HB2 LYS A 27 -1.717 3.693 -6.046 1.00 0.51 H new ATOM 0 HB3 LYS A 27 -3.303 2.948 -6.074 1.00 0.51 H new ATOM 0 HG2 LYS A 27 -2.857 2.433 -3.533 1.00 0.76 H new ATOM 0 HG3 LYS A 27 -1.592 3.639 -3.666 1.00 0.76 H new ATOM 0 HD2 LYS A 27 -3.220 5.329 -4.400 1.00 0.82 H new ATOM 0 HD3 LYS A 27 -4.500 4.133 -4.420 1.00 0.82 H new ATOM 0 HE2 LYS A 27 -4.579 3.998 -2.037 1.00 1.22 H new ATOM 0 HE3 LYS A 27 -2.999 4.734 -1.848 1.00 1.22 H new ATOM 0 HZ1 LYS A 27 -5.326 6.075 -1.724 1.00 1.11 H new ATOM 0 HZ2 LYS A 27 -3.833 6.792 -2.101 1.00 1.11 H new ATOM 0 HZ3 LYS A 27 -4.895 6.338 -3.346 1.00 1.11 H new ATOM 439 N ALA A 28 -1.020 1.267 -8.031 1.00 0.39 N ATOM 440 CA ALA A 28 -1.031 0.766 -9.371 1.00 0.39 C ATOM 441 C ALA A 28 -0.640 -0.671 -9.401 1.00 0.36 C ATOM 442 O ALA A 28 -1.183 -1.499 -10.130 1.00 0.42 O ATOM 443 CB ALA A 28 -0.057 1.573 -10.246 1.00 0.51 C ATOM 0 H ALA A 28 -0.260 1.930 -7.879 1.00 0.39 H new ATOM 0 HA ALA A 28 -2.044 0.867 -9.761 1.00 0.39 H new ATOM 0 HB1 ALA A 28 -0.074 1.183 -11.264 1.00 0.51 H new ATOM 0 HB2 ALA A 28 -0.358 2.621 -10.254 1.00 0.51 H new ATOM 0 HB3 ALA A 28 0.952 1.488 -9.841 1.00 0.51 H new ATOM 449 N LYS A 29 0.358 -1.062 -8.588 1.00 0.39 N ATOM 450 CA LYS A 29 0.798 -2.415 -8.441 1.00 0.43 C ATOM 451 C LYS A 29 -0.205 -3.286 -7.767 1.00 0.44 C ATOM 452 O LYS A 29 -0.286 -4.469 -8.097 1.00 0.54 O ATOM 453 CB LYS A 29 2.128 -2.372 -7.668 1.00 0.54 C ATOM 454 CG LYS A 29 3.263 -2.002 -8.625 1.00 0.65 C ATOM 455 CD LYS A 29 4.641 -1.869 -7.973 1.00 1.08 C ATOM 456 CE LYS A 29 5.795 -1.785 -8.974 1.00 1.24 C ATOM 457 NZ LYS A 29 5.835 -0.453 -9.615 1.00 1.44 N ATOM 0 H LYS A 29 0.881 -0.406 -8.008 1.00 0.39 H new ATOM 0 HA LYS A 29 0.933 -2.864 -9.425 1.00 0.43 H new ATOM 0 HB2 LYS A 29 2.068 -1.643 -6.860 1.00 0.54 H new ATOM 0 HB3 LYS A 29 2.326 -3.341 -7.210 1.00 0.54 H new ATOM 0 HG2 LYS A 29 3.319 -2.759 -9.408 1.00 0.65 H new ATOM 0 HG3 LYS A 29 3.015 -1.058 -9.111 1.00 0.65 H new ATOM 0 HD2 LYS A 29 4.651 -0.977 -7.346 1.00 1.08 H new ATOM 0 HD3 LYS A 29 4.805 -2.723 -7.315 1.00 1.08 H new ATOM 0 HE2 LYS A 29 6.739 -1.978 -8.465 1.00 1.24 H new ATOM 0 HE3 LYS A 29 5.680 -2.557 -9.735 1.00 1.24 H new ATOM 0 HZ1 LYS A 29 6.240 -0.539 -10.569 1.00 1.44 H new ATOM 0 HZ2 LYS A 29 4.870 -0.070 -9.681 1.00 1.44 H new ATOM 0 HZ3 LYS A 29 6.423 0.189 -9.046 1.00 1.44 H new ATOM 471 N ILE A 30 -1.087 -2.628 -6.993 1.00 0.41 N ATOM 472 CA ILE A 30 -2.172 -3.385 -6.449 1.00 0.44 C ATOM 473 C ILE A 30 -3.277 -3.519 -7.441 1.00 0.45 C ATOM 474 O ILE A 30 -4.005 -4.510 -7.473 1.00 0.56 O ATOM 475 CB ILE A 30 -2.601 -2.728 -5.169 1.00 0.45 C ATOM 476 CG1 ILE A 30 -1.529 -2.983 -4.096 1.00 0.52 C ATOM 477 CG2 ILE A 30 -4.018 -3.073 -4.681 1.00 0.56 C ATOM 478 CD1 ILE A 30 -1.419 -2.005 -2.927 1.00 1.32 C ATOM 0 H ILE A 30 -1.058 -1.637 -6.754 1.00 0.41 H new ATOM 0 HA ILE A 30 -1.860 -4.405 -6.224 1.00 0.44 H new ATOM 0 HB ILE A 30 -2.680 -1.661 -5.378 1.00 0.45 H new ATOM 0 HG12 ILE A 30 -1.704 -3.976 -3.682 1.00 0.52 H new ATOM 0 HG13 ILE A 30 -0.561 -3.012 -4.596 1.00 0.52 H new ATOM 0 HG21 ILE A 30 -4.221 -2.544 -3.750 1.00 0.56 H new ATOM 0 HG22 ILE A 30 -4.746 -2.773 -5.435 1.00 0.56 H new ATOM 0 HG23 ILE A 30 -4.093 -4.147 -4.511 1.00 0.56 H new ATOM 0 HD11 ILE A 30 -0.618 -2.324 -2.260 1.00 1.32 H new ATOM 0 HD12 ILE A 30 -1.200 -1.007 -3.307 1.00 1.32 H new ATOM 0 HD13 ILE A 30 -2.361 -1.986 -2.379 1.00 1.32 H new ATOM 490 N GLN A 31 -3.423 -2.548 -8.360 1.00 0.41 N ATOM 491 CA GLN A 31 -4.404 -2.579 -9.399 1.00 0.48 C ATOM 492 C GLN A 31 -4.168 -3.726 -10.322 1.00 0.52 C ATOM 493 O GLN A 31 -5.029 -4.569 -10.567 1.00 0.66 O ATOM 494 CB GLN A 31 -4.379 -1.303 -10.256 1.00 0.52 C ATOM 495 CG GLN A 31 -5.746 -0.993 -10.871 1.00 0.70 C ATOM 496 CD GLN A 31 -5.984 0.396 -11.445 1.00 0.97 C ATOM 497 OE1 GLN A 31 -5.065 1.210 -11.527 1.00 1.70 O ATOM 498 NE2 GLN A 31 -7.271 0.693 -11.765 1.00 1.43 N ATOM 0 H GLN A 31 -2.838 -1.713 -8.380 1.00 0.41 H new ATOM 0 HA GLN A 31 -5.367 -2.671 -8.896 1.00 0.48 H new ATOM 0 HB2 GLN A 31 -4.059 -0.461 -9.642 1.00 0.52 H new ATOM 0 HB3 GLN A 31 -3.642 -1.416 -11.051 1.00 0.52 H new ATOM 0 HG2 GLN A 31 -5.923 -1.716 -11.667 1.00 0.70 H new ATOM 0 HG3 GLN A 31 -6.502 -1.170 -10.106 1.00 0.70 H new ATOM 0 HE21 GLN A 31 -7.995 -0.020 -11.679 1.00 1.43 H new ATOM 0 HE22 GLN A 31 -7.512 1.629 -12.091 1.00 1.43 H new ATOM 507 N ASP A 32 -2.898 -3.938 -10.713 1.00 0.50 N ATOM 508 CA ASP A 32 -2.410 -5.044 -11.477 1.00 0.60 C ATOM 509 C ASP A 32 -2.735 -6.340 -10.818 1.00 0.65 C ATOM 510 O ASP A 32 -3.188 -7.283 -11.465 1.00 0.81 O ATOM 511 CB ASP A 32 -0.903 -4.862 -11.721 1.00 0.67 C ATOM 512 CG ASP A 32 -0.644 -3.779 -12.759 1.00 0.91 C ATOM 513 OD1 ASP A 32 -1.601 -3.477 -13.520 1.00 1.55 O ATOM 514 OD2 ASP A 32 0.538 -3.359 -12.881 1.00 1.51 O ATOM 0 H ASP A 32 -2.154 -3.282 -10.475 1.00 0.50 H new ATOM 0 HA ASP A 32 -2.909 -5.070 -12.446 1.00 0.60 H new ATOM 0 HB2 ASP A 32 -0.409 -4.599 -10.786 1.00 0.67 H new ATOM 0 HB3 ASP A 32 -0.469 -5.804 -12.057 1.00 0.67 H new ATOM 519 N LYS A 33 -2.440 -6.510 -9.517 1.00 0.62 N ATOM 520 CA LYS A 33 -2.684 -7.724 -8.800 1.00 0.73 C ATOM 521 C LYS A 33 -4.092 -8.161 -8.579 1.00 0.69 C ATOM 522 O LYS A 33 -4.430 -9.307 -8.873 1.00 0.83 O ATOM 523 CB LYS A 33 -2.110 -7.765 -7.374 1.00 0.85 C ATOM 524 CG LYS A 33 -0.582 -7.701 -7.348 1.00 1.31 C ATOM 525 CD LYS A 33 0.142 -9.010 -7.668 1.00 1.71 C ATOM 526 CE LYS A 33 1.618 -8.856 -8.037 1.00 2.26 C ATOM 527 NZ LYS A 33 1.809 -8.240 -9.369 1.00 2.62 N ATOM 0 H LYS A 33 -2.018 -5.779 -8.945 1.00 0.62 H new ATOM 0 HA LYS A 33 -2.186 -8.381 -9.514 1.00 0.73 H new ATOM 0 HB2 LYS A 33 -2.514 -6.931 -6.801 1.00 0.85 H new ATOM 0 HB3 LYS A 33 -2.439 -8.680 -6.881 1.00 0.85 H new ATOM 0 HG2 LYS A 33 -0.256 -6.943 -8.061 1.00 1.31 H new ATOM 0 HG3 LYS A 33 -0.267 -7.365 -6.360 1.00 1.31 H new ATOM 0 HD2 LYS A 33 0.065 -9.671 -6.805 1.00 1.71 H new ATOM 0 HD3 LYS A 33 -0.374 -9.502 -8.493 1.00 1.71 H new ATOM 0 HE2 LYS A 33 2.116 -8.245 -7.283 1.00 2.26 H new ATOM 0 HE3 LYS A 33 2.097 -9.835 -8.021 1.00 2.26 H new ATOM 0 HZ1 LYS A 33 2.823 -8.220 -9.600 1.00 2.62 H new ATOM 0 HZ2 LYS A 33 1.301 -8.798 -10.085 1.00 2.62 H new ATOM 0 HZ3 LYS A 33 1.437 -7.269 -9.359 1.00 2.62 H new ATOM 541 N GLU A 34 -4.908 -7.338 -7.897 1.00 0.63 N ATOM 542 CA GLU A 34 -6.186 -7.618 -7.321 1.00 0.67 C ATOM 543 C GLU A 34 -7.318 -6.972 -8.042 1.00 0.69 C ATOM 544 O GLU A 34 -8.436 -7.483 -8.020 1.00 0.95 O ATOM 545 CB GLU A 34 -6.114 -7.225 -5.835 1.00 0.73 C ATOM 546 CG GLU A 34 -5.313 -8.248 -5.027 1.00 0.83 C ATOM 547 CD GLU A 34 -6.123 -9.530 -4.893 1.00 0.95 C ATOM 548 OE1 GLU A 34 -7.261 -9.519 -4.353 1.00 1.37 O ATOM 549 OE2 GLU A 34 -5.617 -10.581 -5.370 1.00 1.48 O ATOM 0 H GLU A 34 -4.638 -6.368 -7.733 1.00 0.63 H new ATOM 0 HA GLU A 34 -6.403 -8.682 -7.416 1.00 0.67 H new ATOM 0 HB2 GLU A 34 -5.654 -6.242 -5.739 1.00 0.73 H new ATOM 0 HB3 GLU A 34 -7.122 -7.146 -5.428 1.00 0.73 H new ATOM 0 HG2 GLU A 34 -4.363 -8.454 -5.520 1.00 0.83 H new ATOM 0 HG3 GLU A 34 -5.080 -7.847 -4.041 1.00 0.83 H new ATOM 556 N GLY A 35 -7.016 -5.856 -8.731 1.00 0.63 N ATOM 557 CA GLY A 35 -8.025 -5.120 -9.427 1.00 0.68 C ATOM 558 C GLY A 35 -8.831 -4.255 -8.521 1.00 0.76 C ATOM 559 O GLY A 35 -10.059 -4.234 -8.590 1.00 1.12 O ATOM 0 H GLY A 35 -6.077 -5.465 -8.806 1.00 0.63 H new ATOM 0 HA2 GLY A 35 -7.556 -4.501 -10.192 1.00 0.68 H new ATOM 0 HA3 GLY A 35 -8.687 -5.816 -9.942 1.00 0.68 H new ATOM 563 N ILE A 36 -8.127 -3.498 -7.660 1.00 0.70 N ATOM 564 CA ILE A 36 -8.679 -2.552 -6.740 1.00 0.76 C ATOM 565 C ILE A 36 -8.392 -1.210 -7.322 1.00 0.71 C ATOM 566 O ILE A 36 -7.221 -0.860 -7.454 1.00 0.73 O ATOM 567 CB ILE A 36 -8.064 -2.759 -5.388 1.00 0.88 C ATOM 568 CG1 ILE A 36 -8.259 -4.188 -4.853 1.00 0.91 C ATOM 569 CG2 ILE A 36 -8.698 -1.750 -4.416 1.00 1.55 C ATOM 570 CD1 ILE A 36 -7.607 -4.462 -3.498 1.00 1.16 C ATOM 0 H ILE A 36 -7.110 -3.550 -7.603 1.00 0.70 H new ATOM 0 HA ILE A 36 -9.754 -2.662 -6.596 1.00 0.76 H new ATOM 0 HB ILE A 36 -6.988 -2.606 -5.477 1.00 0.88 H new ATOM 0 HG12 ILE A 36 -9.328 -4.388 -4.773 1.00 0.91 H new ATOM 0 HG13 ILE A 36 -7.857 -4.891 -5.582 1.00 0.91 H new ATOM 0 HG21 ILE A 36 -8.267 -1.880 -3.424 1.00 1.55 H new ATOM 0 HG22 ILE A 36 -8.503 -0.736 -4.766 1.00 1.55 H new ATOM 0 HG23 ILE A 36 -9.774 -1.917 -4.369 1.00 1.55 H new ATOM 0 HD11 ILE A 36 -7.799 -5.494 -3.204 1.00 1.16 H new ATOM 0 HD12 ILE A 36 -6.532 -4.300 -3.572 1.00 1.16 H new ATOM 0 HD13 ILE A 36 -8.025 -3.788 -2.750 1.00 1.16 H new ATOM 582 N PRO A 37 -9.335 -0.415 -7.734 1.00 0.75 N ATOM 583 CA PRO A 37 -9.095 0.917 -8.209 1.00 0.79 C ATOM 584 C PRO A 37 -8.371 1.826 -7.277 1.00 0.75 C ATOM 585 O PRO A 37 -8.478 1.520 -6.091 1.00 0.75 O ATOM 586 CB PRO A 37 -10.508 1.439 -8.461 1.00 0.95 C ATOM 587 CG PRO A 37 -11.160 0.223 -9.137 1.00 1.02 C ATOM 588 CD PRO A 37 -10.642 -0.867 -8.186 1.00 0.85 C ATOM 0 HA PRO A 37 -8.432 0.891 -9.074 1.00 0.79 H new ATOM 0 HB2 PRO A 37 -11.015 1.717 -7.537 1.00 0.95 H new ATOM 0 HB3 PRO A 37 -10.513 2.319 -9.104 1.00 0.95 H new ATOM 0 HG2 PRO A 37 -12.248 0.284 -9.159 1.00 1.02 H new ATOM 0 HG3 PRO A 37 -10.827 0.081 -10.165 1.00 1.02 H new ATOM 0 HD2 PRO A 37 -11.320 -1.005 -7.344 1.00 0.85 H new ATOM 0 HD3 PRO A 37 -10.568 -1.827 -8.696 1.00 0.85 H new ATOM 596 N PRO A 38 -7.609 2.823 -7.617 1.00 0.81 N ATOM 597 CA PRO A 38 -6.864 3.542 -6.625 1.00 0.85 C ATOM 598 C PRO A 38 -7.575 4.424 -5.656 1.00 0.89 C ATOM 599 O PRO A 38 -7.086 4.654 -4.552 1.00 0.99 O ATOM 600 CB PRO A 38 -6.003 4.466 -7.482 1.00 1.01 C ATOM 601 CG PRO A 38 -5.682 3.577 -8.694 1.00 1.25 C ATOM 602 CD PRO A 38 -6.983 2.793 -8.930 1.00 0.98 C ATOM 0 HA PRO A 38 -6.401 2.797 -5.979 1.00 0.85 H new ATOM 0 HB2 PRO A 38 -6.539 5.370 -7.771 1.00 1.01 H new ATOM 0 HB3 PRO A 38 -5.101 4.783 -6.959 1.00 1.01 H new ATOM 0 HG2 PRO A 38 -5.410 4.172 -9.566 1.00 1.25 H new ATOM 0 HG3 PRO A 38 -4.845 2.910 -8.490 1.00 1.25 H new ATOM 0 HD2 PRO A 38 -7.608 3.263 -9.689 1.00 0.98 H new ATOM 0 HD3 PRO A 38 -6.788 1.774 -9.264 1.00 0.98 H new ATOM 610 N ASP A 39 -8.782 4.856 -6.062 1.00 0.96 N ATOM 611 CA ASP A 39 -9.737 5.572 -5.275 1.00 1.11 C ATOM 612 C ASP A 39 -10.341 4.690 -4.236 1.00 1.00 C ATOM 613 O ASP A 39 -10.954 5.211 -3.307 1.00 1.14 O ATOM 614 CB ASP A 39 -10.943 5.972 -6.142 1.00 1.39 C ATOM 615 CG ASP A 39 -10.487 6.718 -7.388 1.00 1.73 C ATOM 616 OD1 ASP A 39 -10.234 6.026 -8.410 1.00 2.23 O ATOM 617 OD2 ASP A 39 -10.223 7.948 -7.322 1.00 2.25 O ATOM 0 H ASP A 39 -9.114 4.692 -7.012 1.00 0.96 H new ATOM 0 HA ASP A 39 -9.205 6.422 -4.849 1.00 1.11 H new ATOM 0 HB2 ASP A 39 -11.502 5.081 -6.430 1.00 1.39 H new ATOM 0 HB3 ASP A 39 -11.620 6.600 -5.564 1.00 1.39 H new ATOM 622 N GLN A 40 -10.266 3.350 -4.331 1.00 0.87 N ATOM 623 CA GLN A 40 -10.773 2.529 -3.275 1.00 0.84 C ATOM 624 C GLN A 40 -9.781 2.479 -2.165 1.00 0.67 C ATOM 625 O GLN A 40 -10.164 2.383 -1.000 1.00 0.80 O ATOM 626 CB GLN A 40 -11.269 1.156 -3.760 1.00 0.95 C ATOM 627 CG GLN A 40 -12.546 1.319 -4.585 1.00 1.32 C ATOM 628 CD GLN A 40 -12.855 0.017 -5.312 1.00 1.48 C ATOM 629 OE1 GLN A 40 -12.177 -0.996 -5.142 1.00 1.70 O ATOM 630 NE2 GLN A 40 -14.046 0.034 -5.968 1.00 2.02 N ATOM 0 H GLN A 40 -9.864 2.844 -5.120 1.00 0.87 H new ATOM 0 HA GLN A 40 -11.678 2.986 -2.875 1.00 0.84 H new ATOM 0 HB2 GLN A 40 -10.498 0.674 -4.361 1.00 0.95 H new ATOM 0 HB3 GLN A 40 -11.460 0.507 -2.905 1.00 0.95 H new ATOM 0 HG2 GLN A 40 -13.378 1.591 -3.936 1.00 1.32 H new ATOM 0 HG3 GLN A 40 -12.425 2.129 -5.304 1.00 1.32 H new ATOM 0 HE21 GLN A 40 -14.558 0.910 -6.074 1.00 2.02 H new ATOM 0 HE22 GLN A 40 -14.428 -0.829 -6.354 1.00 2.02 H new ATOM 639 N GLN A 41 -8.484 2.609 -2.496 1.00 0.56 N ATOM 640 CA GLN A 41 -7.429 2.326 -1.572 1.00 0.51 C ATOM 641 C GLN A 41 -7.006 3.391 -0.619 1.00 0.49 C ATOM 642 O GLN A 41 -6.775 4.534 -1.013 1.00 0.65 O ATOM 643 CB GLN A 41 -6.237 1.873 -2.432 1.00 0.67 C ATOM 644 CG GLN A 41 -6.441 0.632 -3.304 1.00 0.69 C ATOM 645 CD GLN A 41 -5.190 0.262 -4.089 1.00 0.56 C ATOM 646 OE1 GLN A 41 -4.081 0.151 -3.568 1.00 0.66 O ATOM 647 NE2 GLN A 41 -5.373 0.091 -5.426 1.00 0.61 N ATOM 0 H GLN A 41 -8.163 2.914 -3.415 1.00 0.56 H new ATOM 0 HA GLN A 41 -7.819 1.575 -0.885 1.00 0.51 H new ATOM 0 HB2 GLN A 41 -5.954 2.701 -3.082 1.00 0.67 H new ATOM 0 HB3 GLN A 41 -5.393 1.686 -1.769 1.00 0.67 H new ATOM 0 HG2 GLN A 41 -6.733 -0.208 -2.673 1.00 0.69 H new ATOM 0 HG3 GLN A 41 -7.263 0.810 -3.998 1.00 0.69 H new ATOM 0 HE21 GLN A 41 -6.304 0.189 -5.830 1.00 0.61 H new ATOM 0 HE22 GLN A 41 -4.579 -0.136 -6.025 1.00 0.61 H new ATOM 656 N ARG A 42 -6.715 3.024 0.641 1.00 0.47 N ATOM 657 CA ARG A 42 -6.060 3.823 1.629 1.00 0.55 C ATOM 658 C ARG A 42 -4.973 2.952 2.158 1.00 0.46 C ATOM 659 O ARG A 42 -5.272 1.885 2.693 1.00 0.52 O ATOM 660 CB ARG A 42 -7.037 4.421 2.655 1.00 0.73 C ATOM 661 CG ARG A 42 -7.797 5.606 2.055 1.00 1.04 C ATOM 662 CD ARG A 42 -8.679 6.195 3.158 1.00 1.28 C ATOM 663 NE ARG A 42 -9.587 7.197 2.533 1.00 1.69 N ATOM 664 CZ ARG A 42 -10.842 7.457 3.003 1.00 2.19 C ATOM 665 NH1 ARG A 42 -11.291 7.154 4.256 1.00 2.78 N ATOM 666 NH2 ARG A 42 -11.797 8.103 2.273 1.00 2.34 N ATOM 0 H ARG A 42 -6.956 2.098 0.995 1.00 0.47 H new ATOM 0 HA ARG A 42 -5.620 4.736 1.228 1.00 0.55 H new ATOM 0 HB2 ARG A 42 -7.743 3.657 2.980 1.00 0.73 H new ATOM 0 HB3 ARG A 42 -6.489 4.745 3.540 1.00 0.73 H new ATOM 0 HG2 ARG A 42 -7.102 6.356 1.679 1.00 1.04 H new ATOM 0 HG3 ARG A 42 -8.405 5.283 1.210 1.00 1.04 H new ATOM 0 HD2 ARG A 42 -9.256 5.409 3.645 1.00 1.28 H new ATOM 0 HD3 ARG A 42 -8.065 6.664 3.927 1.00 1.28 H new ATOM 0 HE ARG A 42 -9.256 7.712 1.717 1.00 1.69 H new ATOM 0 HH11 ARG A 42 -10.670 6.697 4.924 1.00 2.78 H new ATOM 0 HH12 ARG A 42 -12.248 7.385 4.525 1.00 2.78 H new ATOM 0 HH21 ARG A 42 -11.588 8.418 1.326 1.00 2.34 H new ATOM 0 HH22 ARG A 42 -12.719 8.271 2.675 1.00 2.34 H new ATOM 680 N LEU A 43 -3.688 3.309 1.993 1.00 0.46 N ATOM 681 CA LEU A 43 -2.517 2.622 2.443 1.00 0.42 C ATOM 682 C LEU A 43 -1.970 3.113 3.739 1.00 0.43 C ATOM 683 O LEU A 43 -1.288 4.136 3.762 1.00 0.55 O ATOM 684 CB LEU A 43 -1.425 2.565 1.361 1.00 0.55 C ATOM 685 CG LEU A 43 -1.710 1.667 0.146 1.00 0.65 C ATOM 686 CD1 LEU A 43 -0.775 1.802 -1.068 1.00 1.17 C ATOM 687 CD2 LEU A 43 -1.821 0.197 0.586 1.00 1.12 C ATOM 0 H LEU A 43 -3.447 4.165 1.494 1.00 0.46 H new ATOM 0 HA LEU A 43 -2.857 1.605 2.638 1.00 0.42 H new ATOM 0 HB2 LEU A 43 -1.247 3.579 1.002 1.00 0.55 H new ATOM 0 HB3 LEU A 43 -0.500 2.225 1.827 1.00 0.55 H new ATOM 0 HG LEU A 43 -2.661 2.041 -0.233 1.00 0.65 H new ATOM 0 HD11 LEU A 43 -1.092 1.111 -1.850 1.00 1.17 H new ATOM 0 HD12 LEU A 43 -0.816 2.823 -1.447 1.00 1.17 H new ATOM 0 HD13 LEU A 43 0.246 1.567 -0.768 1.00 1.17 H new ATOM 0 HD21 LEU A 43 -2.023 -0.429 -0.283 1.00 1.12 H new ATOM 0 HD22 LEU A 43 -0.885 -0.116 1.049 1.00 1.12 H new ATOM 0 HD23 LEU A 43 -2.634 0.093 1.305 1.00 1.12 H new ATOM 699 N ILE A 44 -2.175 2.332 4.815 1.00 0.42 N ATOM 700 CA ILE A 44 -1.852 2.720 6.153 1.00 0.46 C ATOM 701 C ILE A 44 -0.529 2.106 6.457 1.00 0.42 C ATOM 702 O ILE A 44 -0.289 0.939 6.151 1.00 0.53 O ATOM 703 CB ILE A 44 -2.938 2.432 7.147 1.00 0.58 C ATOM 704 CG1 ILE A 44 -4.365 2.763 6.680 1.00 1.05 C ATOM 705 CG2 ILE A 44 -2.735 3.110 8.513 1.00 1.38 C ATOM 706 CD1 ILE A 44 -4.726 4.205 6.326 1.00 1.27 C ATOM 0 H ILE A 44 -2.580 1.398 4.751 1.00 0.42 H new ATOM 0 HA ILE A 44 -1.775 3.804 6.238 1.00 0.46 H new ATOM 0 HB ILE A 44 -2.846 1.351 7.247 1.00 0.58 H new ATOM 0 HG12 ILE A 44 -4.572 2.150 5.803 1.00 1.05 H new ATOM 0 HG13 ILE A 44 -5.049 2.438 7.464 1.00 1.05 H new ATOM 0 HG21 ILE A 44 -3.562 2.852 9.174 1.00 1.38 H new ATOM 0 HG22 ILE A 44 -1.798 2.768 8.953 1.00 1.38 H new ATOM 0 HG23 ILE A 44 -2.700 4.191 8.381 1.00 1.38 H new ATOM 0 HD11 ILE A 44 -5.770 4.253 6.018 1.00 1.27 H new ATOM 0 HD12 ILE A 44 -4.575 4.842 7.197 1.00 1.27 H new ATOM 0 HD13 ILE A 44 -4.091 4.549 5.510 1.00 1.27 H new ATOM 718 N PHE A 45 0.330 2.947 7.060 1.00 0.42 N ATOM 719 CA PHE A 45 1.541 2.365 7.549 1.00 0.46 C ATOM 720 C PHE A 45 1.707 2.810 8.962 1.00 0.68 C ATOM 721 O PHE A 45 2.128 3.926 9.259 1.00 1.50 O ATOM 722 CB PHE A 45 2.675 2.682 6.560 1.00 0.56 C ATOM 723 CG PHE A 45 3.966 2.039 6.931 1.00 0.64 C ATOM 724 CD1 PHE A 45 4.356 0.768 6.579 1.00 1.08 C ATOM 725 CD2 PHE A 45 5.007 2.775 7.445 1.00 1.19 C ATOM 726 CE1 PHE A 45 5.543 0.207 6.985 1.00 1.20 C ATOM 727 CE2 PHE A 45 6.243 2.286 7.796 1.00 1.33 C ATOM 728 CZ PHE A 45 6.516 0.951 7.611 1.00 1.02 C ATOM 0 H PHE A 45 0.206 3.949 7.203 1.00 0.42 H new ATOM 0 HA PHE A 45 1.539 1.276 7.594 1.00 0.46 H new ATOM 0 HB2 PHE A 45 2.384 2.351 5.563 1.00 0.56 H new ATOM 0 HB3 PHE A 45 2.814 3.762 6.509 1.00 0.56 H new ATOM 0 HD1 PHE A 45 3.698 0.183 5.954 1.00 1.08 H new ATOM 0 HD2 PHE A 45 4.839 3.832 7.586 1.00 1.19 H new ATOM 0 HE1 PHE A 45 5.716 -0.844 6.808 1.00 1.20 H new ATOM 0 HE2 PHE A 45 6.992 2.943 8.213 1.00 1.33 H new ATOM 0 HZ PHE A 45 7.445 0.510 7.940 1.00 1.02 H new ATOM 738 N ALA A 46 1.255 1.977 9.916 1.00 0.81 N ATOM 739 CA ALA A 46 1.196 2.248 11.318 1.00 0.96 C ATOM 740 C ALA A 46 0.086 3.190 11.636 1.00 0.97 C ATOM 741 O ALA A 46 -1.086 2.833 11.524 1.00 1.21 O ATOM 742 CB ALA A 46 2.528 2.642 11.978 1.00 1.20 C ATOM 0 H ALA A 46 0.905 1.046 9.689 1.00 0.81 H new ATOM 0 HA ALA A 46 0.973 1.288 11.783 1.00 0.96 H new ATOM 0 HB1 ALA A 46 2.368 2.825 13.041 1.00 1.20 H new ATOM 0 HB2 ALA A 46 3.249 1.834 11.854 1.00 1.20 H new ATOM 0 HB3 ALA A 46 2.913 3.547 11.508 1.00 1.20 H new ATOM 748 N GLY A 47 0.338 4.466 11.982 1.00 0.99 N ATOM 749 CA GLY A 47 -0.655 5.409 12.392 1.00 1.10 C ATOM 750 C GLY A 47 -0.872 6.394 11.295 1.00 1.03 C ATOM 751 O GLY A 47 -1.823 7.174 11.309 1.00 1.30 O ATOM 0 H GLY A 47 1.280 4.858 11.975 1.00 0.99 H new ATOM 0 HA2 GLY A 47 -1.587 4.896 12.627 1.00 1.10 H new ATOM 0 HA3 GLY A 47 -0.336 5.921 13.300 1.00 1.10 H new ATOM 755 N LYS A 48 0.011 6.421 10.280 1.00 0.98 N ATOM 756 CA LYS A 48 0.011 7.373 9.213 1.00 1.05 C ATOM 757 C LYS A 48 -0.614 6.778 7.998 1.00 0.84 C ATOM 758 O LYS A 48 -0.314 5.630 7.672 1.00 0.81 O ATOM 759 CB LYS A 48 1.395 7.909 8.814 1.00 1.42 C ATOM 760 CG LYS A 48 1.960 8.684 10.006 1.00 1.61 C ATOM 761 CD LYS A 48 3.225 9.426 9.573 1.00 1.87 C ATOM 762 CE LYS A 48 4.071 9.990 10.717 1.00 2.22 C ATOM 763 NZ LYS A 48 5.275 10.661 10.178 1.00 2.55 N ATOM 0 H LYS A 48 0.766 5.740 10.200 1.00 0.98 H new ATOM 0 HA LYS A 48 -0.557 8.219 9.601 1.00 1.05 H new ATOM 0 HB2 LYS A 48 2.059 7.088 8.543 1.00 1.42 H new ATOM 0 HB3 LYS A 48 1.316 8.556 7.941 1.00 1.42 H new ATOM 0 HG2 LYS A 48 1.219 9.391 10.379 1.00 1.61 H new ATOM 0 HG3 LYS A 48 2.188 8.000 10.824 1.00 1.61 H new ATOM 0 HD2 LYS A 48 3.843 8.747 8.986 1.00 1.87 H new ATOM 0 HD3 LYS A 48 2.939 10.246 8.915 1.00 1.87 H new ATOM 0 HE2 LYS A 48 3.482 10.697 11.301 1.00 2.22 H new ATOM 0 HE3 LYS A 48 4.365 9.187 11.392 1.00 2.22 H new ATOM 0 HZ1 LYS A 48 5.842 11.040 10.963 1.00 2.55 H new ATOM 0 HZ2 LYS A 48 5.843 9.976 9.640 1.00 2.55 H new ATOM 0 HZ3 LYS A 48 4.987 11.440 9.551 1.00 2.55 H new ATOM 777 N GLN A 49 -1.518 7.486 7.300 1.00 0.84 N ATOM 778 CA GLN A 49 -1.959 7.097 5.996 1.00 0.80 C ATOM 779 C GLN A 49 -0.914 7.667 5.101 1.00 0.72 C ATOM 780 O GLN A 49 -0.562 8.839 5.225 1.00 0.83 O ATOM 781 CB GLN A 49 -3.320 7.739 5.680 1.00 1.03 C ATOM 782 CG GLN A 49 -3.940 7.339 4.340 1.00 1.67 C ATOM 783 CD GLN A 49 -5.392 7.782 4.222 1.00 1.92 C ATOM 784 OE1 GLN A 49 -6.154 7.755 5.187 1.00 2.24 O ATOM 785 NE2 GLN A 49 -5.693 8.427 3.063 1.00 2.48 N ATOM 0 H GLN A 49 -1.951 8.343 7.646 1.00 0.84 H new ATOM 0 HA GLN A 49 -2.084 6.019 5.890 1.00 0.80 H new ATOM 0 HB2 GLN A 49 -4.018 7.480 6.476 1.00 1.03 H new ATOM 0 HB3 GLN A 49 -3.204 8.823 5.698 1.00 1.03 H new ATOM 0 HG2 GLN A 49 -3.361 7.779 3.528 1.00 1.67 H new ATOM 0 HG3 GLN A 49 -3.882 6.257 4.223 1.00 1.67 H new ATOM 0 HE21 GLN A 49 -5.029 8.422 2.289 1.00 2.48 H new ATOM 0 HE22 GLN A 49 -6.583 8.916 2.968 1.00 2.48 H new ATOM 794 N LEU A 50 -0.364 6.923 4.126 1.00 0.69 N ATOM 795 CA LEU A 50 0.650 7.512 3.306 1.00 0.66 C ATOM 796 C LEU A 50 0.117 8.223 2.111 1.00 0.72 C ATOM 797 O LEU A 50 -0.762 7.638 1.478 1.00 0.90 O ATOM 798 CB LEU A 50 1.555 6.397 2.757 1.00 0.65 C ATOM 799 CG LEU A 50 2.065 5.367 3.780 1.00 0.64 C ATOM 800 CD1 LEU A 50 2.601 4.106 3.080 1.00 0.77 C ATOM 801 CD2 LEU A 50 3.056 6.035 4.748 1.00 0.74 C ATOM 0 H LEU A 50 -0.606 5.956 3.910 1.00 0.69 H new ATOM 0 HA LEU A 50 1.169 8.228 3.943 1.00 0.66 H new ATOM 0 HB2 LEU A 50 1.008 5.864 1.979 1.00 0.65 H new ATOM 0 HB3 LEU A 50 2.418 6.861 2.279 1.00 0.65 H new ATOM 0 HG LEU A 50 1.237 5.011 4.394 1.00 0.64 H new ATOM 0 HD11 LEU A 50 2.954 3.397 3.828 1.00 0.77 H new ATOM 0 HD12 LEU A 50 1.804 3.648 2.494 1.00 0.77 H new ATOM 0 HD13 LEU A 50 3.425 4.378 2.421 1.00 0.77 H new ATOM 0 HD21 LEU A 50 3.412 5.299 5.469 1.00 0.74 H new ATOM 0 HD22 LEU A 50 3.902 6.432 4.186 1.00 0.74 H new ATOM 0 HD23 LEU A 50 2.557 6.848 5.276 1.00 0.74 H new ATOM 813 N GLU A 51 0.649 9.421 1.808 1.00 0.70 N ATOM 814 CA GLU A 51 0.273 10.250 0.706 1.00 0.76 C ATOM 815 C GLU A 51 0.772 9.707 -0.588 1.00 0.77 C ATOM 816 O GLU A 51 1.881 9.181 -0.672 1.00 1.23 O ATOM 817 CB GLU A 51 0.702 11.713 0.918 1.00 0.88 C ATOM 818 CG GLU A 51 0.183 12.386 2.190 1.00 1.35 C ATOM 819 CD GLU A 51 0.343 13.899 2.219 1.00 1.46 C ATOM 820 OE1 GLU A 51 -0.264 14.611 1.374 1.00 1.89 O ATOM 821 OE2 GLU A 51 1.035 14.357 3.167 1.00 1.94 O ATOM 0 H GLU A 51 1.391 9.837 2.371 1.00 0.70 H new ATOM 0 HA GLU A 51 -0.816 10.243 0.656 1.00 0.76 H new ATOM 0 HB2 GLU A 51 1.791 11.754 0.928 1.00 0.88 H new ATOM 0 HB3 GLU A 51 0.369 12.297 0.060 1.00 0.88 H new ATOM 0 HG2 GLU A 51 -0.873 12.144 2.308 1.00 1.35 H new ATOM 0 HG3 GLU A 51 0.705 11.962 3.048 1.00 1.35 H new ATOM 828 N ASP A 52 -0.104 9.785 -1.605 1.00 0.66 N ATOM 829 CA ASP A 52 0.052 9.091 -2.846 1.00 0.65 C ATOM 830 C ASP A 52 1.233 9.436 -3.686 1.00 0.60 C ATOM 831 O ASP A 52 1.921 8.569 -4.222 1.00 0.62 O ATOM 832 CB ASP A 52 -1.206 9.172 -3.727 1.00 0.81 C ATOM 833 CG ASP A 52 -2.527 8.961 -3.001 1.00 0.95 C ATOM 834 OD1 ASP A 52 -2.725 7.921 -2.319 1.00 1.44 O ATOM 835 OD2 ASP A 52 -3.393 9.865 -3.146 1.00 1.56 O ATOM 0 H ASP A 52 -0.951 10.351 -1.562 1.00 0.66 H new ATOM 0 HA ASP A 52 0.229 8.076 -2.491 1.00 0.65 H new ATOM 0 HB2 ASP A 52 -1.228 10.149 -4.210 1.00 0.81 H new ATOM 0 HB3 ASP A 52 -1.123 8.427 -4.519 1.00 0.81 H new ATOM 840 N GLY A 53 1.638 10.714 -3.804 1.00 0.68 N ATOM 841 CA GLY A 53 2.803 11.147 -4.512 1.00 0.73 C ATOM 842 C GLY A 53 4.007 11.165 -3.636 1.00 0.72 C ATOM 843 O GLY A 53 5.001 11.768 -4.039 1.00 0.97 O ATOM 0 H GLY A 53 1.124 11.487 -3.382 1.00 0.68 H new ATOM 0 HA2 GLY A 53 2.980 10.485 -5.360 1.00 0.73 H new ATOM 0 HA3 GLY A 53 2.633 12.145 -4.917 1.00 0.73 H new ATOM 847 N ARG A 54 4.116 10.543 -2.448 1.00 0.64 N ATOM 848 CA ARG A 54 5.372 10.377 -1.787 1.00 0.63 C ATOM 849 C ARG A 54 5.921 9.034 -2.123 1.00 0.59 C ATOM 850 O ARG A 54 5.232 8.284 -2.814 1.00 0.62 O ATOM 851 CB ARG A 54 5.205 10.769 -0.308 1.00 0.69 C ATOM 852 CG ARG A 54 5.138 12.261 0.019 1.00 0.82 C ATOM 853 CD ARG A 54 6.377 13.017 -0.465 1.00 1.18 C ATOM 854 NE ARG A 54 6.132 14.410 0.005 1.00 1.50 N ATOM 855 CZ ARG A 54 7.060 15.384 0.243 1.00 2.00 C ATOM 856 NH1 ARG A 54 8.407 15.172 0.210 1.00 2.48 N ATOM 857 NH2 ARG A 54 6.677 16.676 0.456 1.00 2.49 N ATOM 0 H ARG A 54 3.323 10.151 -1.941 1.00 0.64 H new ATOM 0 HA ARG A 54 6.157 11.050 -2.133 1.00 0.63 H new ATOM 0 HB2 ARG A 54 4.294 10.301 0.064 1.00 0.69 H new ATOM 0 HB3 ARG A 54 6.036 10.338 0.251 1.00 0.69 H new ATOM 0 HG2 ARG A 54 4.249 12.692 -0.441 1.00 0.82 H new ATOM 0 HG3 ARG A 54 5.034 12.390 1.096 1.00 0.82 H new ATOM 0 HD2 ARG A 54 7.292 12.604 -0.040 1.00 1.18 H new ATOM 0 HD3 ARG A 54 6.479 12.970 -1.549 1.00 1.18 H new ATOM 0 HE ARG A 54 5.158 14.666 0.168 1.00 1.50 H new ATOM 0 HH11 ARG A 54 8.772 14.243 -0.002 1.00 2.48 H new ATOM 0 HH12 ARG A 54 9.049 15.942 0.397 1.00 2.48 H new ATOM 0 HH21 ARG A 54 5.688 16.924 0.439 1.00 2.49 H new ATOM 0 HH22 ARG A 54 7.380 17.394 0.633 1.00 2.49 H new ATOM 871 N THR A 55 7.159 8.785 -1.663 1.00 0.63 N ATOM 872 CA THR A 55 7.661 7.473 -1.932 1.00 0.61 C ATOM 873 C THR A 55 7.729 6.593 -0.732 1.00 0.59 C ATOM 874 O THR A 55 7.538 7.002 0.411 1.00 0.64 O ATOM 875 CB THR A 55 9.042 7.514 -2.518 1.00 0.68 C ATOM 876 OG1 THR A 55 9.955 8.018 -1.554 1.00 0.75 O ATOM 877 CG2 THR A 55 9.224 8.361 -3.788 1.00 0.76 C ATOM 0 H THR A 55 7.767 9.424 -1.151 1.00 0.63 H new ATOM 0 HA THR A 55 6.941 7.059 -2.638 1.00 0.61 H new ATOM 0 HB THR A 55 9.229 6.479 -2.804 1.00 0.68 H new ATOM 0 HG1 THR A 55 9.773 8.968 -1.396 1.00 0.75 H new ATOM 0 HG21 THR A 55 10.263 8.310 -4.113 1.00 0.76 H new ATOM 0 HG22 THR A 55 8.578 7.977 -4.577 1.00 0.76 H new ATOM 0 HG23 THR A 55 8.961 9.397 -3.575 1.00 0.76 H new ATOM 885 N LEU A 56 8.130 5.329 -0.957 1.00 0.58 N ATOM 886 CA LEU A 56 8.474 4.361 0.039 1.00 0.59 C ATOM 887 C LEU A 56 9.578 4.808 0.934 1.00 0.64 C ATOM 888 O LEU A 56 9.562 4.840 2.163 1.00 0.70 O ATOM 889 CB LEU A 56 8.785 3.070 -0.735 1.00 0.60 C ATOM 890 CG LEU A 56 7.510 2.396 -1.268 1.00 0.63 C ATOM 891 CD1 LEU A 56 7.879 1.348 -2.332 1.00 1.05 C ATOM 892 CD2 LEU A 56 6.694 1.732 -0.145 1.00 1.03 C ATOM 0 H LEU A 56 8.220 4.958 -1.903 1.00 0.58 H new ATOM 0 HA LEU A 56 7.653 4.201 0.738 1.00 0.59 H new ATOM 0 HB2 LEU A 56 9.450 3.298 -1.568 1.00 0.60 H new ATOM 0 HB3 LEU A 56 9.317 2.376 -0.084 1.00 0.60 H new ATOM 0 HG LEU A 56 6.889 3.174 -1.712 1.00 0.63 H new ATOM 0 HD11 LEU A 56 6.971 0.874 -2.706 1.00 1.05 H new ATOM 0 HD12 LEU A 56 8.400 1.834 -3.156 1.00 1.05 H new ATOM 0 HD13 LEU A 56 8.527 0.592 -1.889 1.00 1.05 H new ATOM 0 HD21 LEU A 56 5.803 1.269 -0.568 1.00 1.03 H new ATOM 0 HD22 LEU A 56 7.301 0.970 0.344 1.00 1.03 H new ATOM 0 HD23 LEU A 56 6.399 2.486 0.585 1.00 1.03 H new ATOM 904 N SER A 57 10.555 5.320 0.165 1.00 0.68 N ATOM 905 CA SER A 57 11.753 5.867 0.723 1.00 0.75 C ATOM 906 C SER A 57 11.593 7.053 1.610 1.00 0.76 C ATOM 907 O SER A 57 12.309 7.091 2.609 1.00 0.84 O ATOM 908 CB SER A 57 12.750 6.111 -0.423 1.00 0.84 C ATOM 909 OG SER A 57 14.116 6.108 -0.030 1.00 1.19 O ATOM 0 H SER A 57 10.514 5.355 -0.854 1.00 0.68 H new ATOM 0 HA SER A 57 12.138 5.125 1.423 1.00 0.75 H new ATOM 0 HB2 SER A 57 12.603 5.345 -1.184 1.00 0.84 H new ATOM 0 HB3 SER A 57 12.521 7.070 -0.888 1.00 0.84 H new ATOM 0 HG SER A 57 14.682 6.268 -0.814 1.00 1.19 H new ATOM 915 N ASP A 58 10.671 7.992 1.331 1.00 0.75 N ATOM 916 CA ASP A 58 10.394 9.125 2.159 1.00 0.78 C ATOM 917 C ASP A 58 9.892 8.795 3.522 1.00 0.77 C ATOM 918 O ASP A 58 10.340 9.426 4.477 1.00 0.86 O ATOM 919 CB ASP A 58 9.342 10.050 1.524 1.00 0.83 C ATOM 920 CG ASP A 58 9.935 10.733 0.300 1.00 1.23 C ATOM 921 OD1 ASP A 58 10.777 11.632 0.565 1.00 1.86 O ATOM 922 OD2 ASP A 58 9.407 10.654 -0.842 1.00 1.90 O ATOM 0 H ASP A 58 10.093 7.960 0.491 1.00 0.75 H new ATOM 0 HA ASP A 58 11.366 9.609 2.249 1.00 0.78 H new ATOM 0 HB2 ASP A 58 8.461 9.475 1.241 1.00 0.83 H new ATOM 0 HB3 ASP A 58 9.016 10.797 2.248 1.00 0.83 H new ATOM 927 N TYR A 59 9.072 7.734 3.641 1.00 0.72 N ATOM 928 CA TYR A 59 8.567 7.302 4.908 1.00 0.73 C ATOM 929 C TYR A 59 9.385 6.303 5.652 1.00 0.76 C ATOM 930 O TYR A 59 8.959 5.798 6.689 1.00 0.89 O ATOM 931 CB TYR A 59 7.156 6.767 4.610 1.00 0.73 C ATOM 932 CG TYR A 59 6.133 7.828 4.394 1.00 0.67 C ATOM 933 CD1 TYR A 59 5.573 8.545 5.426 1.00 0.74 C ATOM 934 CD2 TYR A 59 5.597 8.079 3.153 1.00 0.67 C ATOM 935 CE1 TYR A 59 4.614 9.511 5.231 1.00 0.77 C ATOM 936 CE2 TYR A 59 4.570 8.966 2.936 1.00 0.70 C ATOM 937 CZ TYR A 59 4.089 9.721 3.979 1.00 0.74 C ATOM 938 OH TYR A 59 2.972 10.580 3.901 1.00 0.86 O ATOM 0 H TYR A 59 8.757 7.171 2.851 1.00 0.72 H new ATOM 0 HA TYR A 59 8.585 8.149 5.594 1.00 0.73 H new ATOM 0 HB2 TYR A 59 7.199 6.134 3.724 1.00 0.73 H new ATOM 0 HB3 TYR A 59 6.837 6.134 5.438 1.00 0.73 H new ATOM 0 HD1 TYR A 59 5.901 8.340 6.434 1.00 0.74 H new ATOM 0 HD2 TYR A 59 6.005 7.551 2.304 1.00 0.67 H new ATOM 0 HE1 TYR A 59 4.272 10.106 6.065 1.00 0.77 H new ATOM 0 HE2 TYR A 59 4.142 9.069 1.950 1.00 0.70 H new ATOM 0 HH TYR A 59 2.969 11.035 3.033 1.00 0.86 H new ATOM 948 N ASN A 60 10.543 5.881 5.114 1.00 0.74 N ATOM 949 CA ASN A 60 11.498 4.944 5.620 1.00 0.79 C ATOM 950 C ASN A 60 11.080 3.516 5.535 1.00 0.75 C ATOM 951 O ASN A 60 11.443 2.665 6.344 1.00 0.86 O ATOM 952 CB ASN A 60 12.056 5.287 7.011 1.00 0.95 C ATOM 953 CG ASN A 60 12.232 6.790 7.172 1.00 1.25 C ATOM 954 OD1 ASN A 60 11.455 7.454 7.856 1.00 1.84 O ATOM 955 ND2 ASN A 60 13.250 7.387 6.498 1.00 1.83 N ATOM 0 H ASN A 60 10.844 6.245 4.210 1.00 0.74 H new ATOM 0 HA ASN A 60 12.326 5.057 4.921 1.00 0.79 H new ATOM 0 HB2 ASN A 60 11.381 4.912 7.780 1.00 0.95 H new ATOM 0 HB3 ASN A 60 13.014 4.787 7.156 1.00 0.95 H new ATOM 0 HD21 ASN A 60 13.377 8.397 6.556 1.00 1.83 H new ATOM 0 HD22 ASN A 60 13.887 6.825 5.934 1.00 1.83 H new ATOM 962 N ILE A 61 10.175 3.225 4.584 1.00 0.67 N ATOM 963 CA ILE A 61 9.716 1.913 4.251 1.00 0.65 C ATOM 964 C ILE A 61 10.725 1.034 3.597 1.00 0.66 C ATOM 965 O ILE A 61 11.188 1.364 2.508 1.00 0.75 O ATOM 966 CB ILE A 61 8.444 1.910 3.455 1.00 0.63 C ATOM 967 CG1 ILE A 61 7.467 2.881 4.139 1.00 0.70 C ATOM 968 CG2 ILE A 61 7.806 0.513 3.370 1.00 0.72 C ATOM 969 CD1 ILE A 61 6.205 3.160 3.324 1.00 0.82 C ATOM 0 H ILE A 61 9.738 3.949 4.014 1.00 0.67 H new ATOM 0 HA ILE A 61 9.515 1.480 5.231 1.00 0.65 H new ATOM 0 HB ILE A 61 8.669 2.215 2.433 1.00 0.63 H new ATOM 0 HG12 ILE A 61 7.180 2.471 5.107 1.00 0.70 H new ATOM 0 HG13 ILE A 61 7.980 3.823 4.331 1.00 0.70 H new ATOM 0 HG21 ILE A 61 6.889 0.567 2.783 1.00 0.72 H new ATOM 0 HG22 ILE A 61 8.502 -0.176 2.892 1.00 0.72 H new ATOM 0 HG23 ILE A 61 7.574 0.157 4.374 1.00 0.72 H new ATOM 0 HD11 ILE A 61 5.565 3.853 3.870 1.00 0.82 H new ATOM 0 HD12 ILE A 61 6.481 3.600 2.366 1.00 0.82 H new ATOM 0 HD13 ILE A 61 5.668 2.227 3.154 1.00 0.82 H new ATOM 981 N GLN A 62 11.184 -0.046 4.255 1.00 0.67 N ATOM 982 CA GLN A 62 12.187 -0.939 3.766 1.00 0.70 C ATOM 983 C GLN A 62 11.614 -2.251 3.348 1.00 0.62 C ATOM 984 O GLN A 62 10.402 -2.410 3.216 1.00 0.64 O ATOM 985 CB GLN A 62 13.334 -0.977 4.789 1.00 0.85 C ATOM 986 CG GLN A 62 13.977 0.380 5.085 1.00 1.27 C ATOM 987 CD GLN A 62 14.744 0.397 6.398 1.00 1.57 C ATOM 988 OE1 GLN A 62 14.473 1.082 7.384 1.00 2.08 O ATOM 989 NE2 GLN A 62 15.714 -0.556 6.381 1.00 2.16 N ATOM 0 H GLN A 62 10.836 -0.309 5.177 1.00 0.67 H new ATOM 0 HA GLN A 62 12.623 -0.581 2.833 1.00 0.70 H new ATOM 0 HB2 GLN A 62 12.956 -1.395 5.722 1.00 0.85 H new ATOM 0 HB3 GLN A 62 14.105 -1.656 4.424 1.00 0.85 H new ATOM 0 HG2 GLN A 62 14.654 0.641 4.271 1.00 1.27 H new ATOM 0 HG3 GLN A 62 13.202 1.146 5.113 1.00 1.27 H new ATOM 0 HE21 GLN A 62 15.889 -1.090 5.530 1.00 2.16 H new ATOM 0 HE22 GLN A 62 16.266 -0.737 7.219 1.00 2.16 H new ATOM 998 N LYS A 63 12.510 -3.238 3.167 1.00 0.64 N ATOM 999 CA LYS A 63 12.060 -4.547 2.809 1.00 0.62 C ATOM 1000 C LYS A 63 11.289 -5.269 3.859 1.00 0.59 C ATOM 1001 O LYS A 63 11.489 -5.036 5.051 1.00 0.66 O ATOM 1002 CB LYS A 63 13.330 -5.330 2.434 1.00 0.74 C ATOM 1003 CG LYS A 63 14.215 -5.677 3.634 1.00 0.89 C ATOM 1004 CD LYS A 63 15.644 -5.870 3.123 1.00 1.11 C ATOM 1005 CE LYS A 63 16.454 -6.717 4.107 1.00 1.47 C ATOM 1006 NZ LYS A 63 16.733 -5.969 5.353 1.00 2.12 N ATOM 0 H LYS A 63 13.520 -3.135 3.265 1.00 0.64 H new ATOM 0 HA LYS A 63 11.345 -4.457 1.991 1.00 0.62 H new ATOM 0 HB2 LYS A 63 13.042 -6.251 1.928 1.00 0.74 H new ATOM 0 HB3 LYS A 63 13.911 -4.743 1.723 1.00 0.74 H new ATOM 0 HG2 LYS A 63 14.180 -4.880 4.377 1.00 0.89 H new ATOM 0 HG3 LYS A 63 13.858 -6.584 4.122 1.00 0.89 H new ATOM 0 HD2 LYS A 63 15.625 -6.354 2.147 1.00 1.11 H new ATOM 0 HD3 LYS A 63 16.123 -4.900 2.989 1.00 1.11 H new ATOM 0 HE2 LYS A 63 15.906 -7.629 4.342 1.00 1.47 H new ATOM 0 HE3 LYS A 63 17.393 -7.020 3.643 1.00 1.47 H new ATOM 0 HZ1 LYS A 63 17.283 -6.568 6.001 1.00 2.12 H new ATOM 0 HZ2 LYS A 63 17.276 -5.111 5.129 1.00 2.12 H new ATOM 0 HZ3 LYS A 63 15.836 -5.702 5.806 1.00 2.12 H new ATOM 1020 N GLU A 64 10.400 -6.197 3.461 1.00 0.57 N ATOM 1021 CA GLU A 64 9.557 -7.020 4.270 1.00 0.58 C ATOM 1022 C GLU A 64 8.581 -6.303 5.139 1.00 0.56 C ATOM 1023 O GLU A 64 8.038 -6.770 6.140 1.00 0.70 O ATOM 1024 CB GLU A 64 10.343 -7.971 5.189 1.00 0.72 C ATOM 1025 CG GLU A 64 11.446 -8.805 4.534 1.00 0.96 C ATOM 1026 CD GLU A 64 12.394 -9.401 5.565 1.00 1.18 C ATOM 1027 OE1 GLU A 64 11.952 -10.082 6.528 1.00 1.71 O ATOM 1028 OE2 GLU A 64 13.611 -9.125 5.389 1.00 1.69 O ATOM 0 H GLU A 64 10.260 -6.388 2.469 1.00 0.57 H new ATOM 0 HA GLU A 64 9.003 -7.565 3.506 1.00 0.58 H new ATOM 0 HB2 GLU A 64 10.792 -7.379 5.987 1.00 0.72 H new ATOM 0 HB3 GLU A 64 9.634 -8.653 5.659 1.00 0.72 H new ATOM 0 HG2 GLU A 64 10.996 -9.607 3.948 1.00 0.96 H new ATOM 0 HG3 GLU A 64 12.010 -8.181 3.840 1.00 0.96 H new ATOM 1035 N SER A 65 8.238 -5.071 4.725 1.00 0.51 N ATOM 1036 CA SER A 65 7.472 -4.149 5.505 1.00 0.51 C ATOM 1037 C SER A 65 6.016 -4.338 5.251 1.00 0.43 C ATOM 1038 O SER A 65 5.637 -4.598 4.110 1.00 0.50 O ATOM 1039 CB SER A 65 7.723 -2.672 5.159 1.00 0.65 C ATOM 1040 OG SER A 65 9.044 -2.224 5.426 1.00 1.04 O ATOM 0 H SER A 65 8.504 -4.702 3.812 1.00 0.51 H new ATOM 0 HA SER A 65 7.776 -4.355 6.531 1.00 0.51 H new ATOM 0 HB2 SER A 65 7.506 -2.517 4.102 1.00 0.65 H new ATOM 0 HB3 SER A 65 7.022 -2.055 5.722 1.00 0.65 H new ATOM 0 HG SER A 65 9.483 -1.980 4.584 1.00 1.04 H new ATOM 1046 N THR A 66 5.082 -4.117 6.193 1.00 0.45 N ATOM 1047 CA THR A 66 3.687 -4.397 6.051 1.00 0.45 C ATOM 1048 C THR A 66 2.899 -3.134 6.010 1.00 0.43 C ATOM 1049 O THR A 66 2.850 -2.365 6.969 1.00 0.58 O ATOM 1050 CB THR A 66 3.192 -5.183 7.229 1.00 0.61 C ATOM 1051 OG1 THR A 66 3.996 -6.323 7.493 1.00 0.79 O ATOM 1052 CG2 THR A 66 1.785 -5.707 6.895 1.00 0.78 C ATOM 0 H THR A 66 5.314 -3.721 7.104 1.00 0.45 H new ATOM 0 HA THR A 66 3.561 -4.959 5.125 1.00 0.45 H new ATOM 0 HB THR A 66 3.212 -4.524 8.097 1.00 0.61 H new ATOM 0 HG1 THR A 66 3.638 -6.803 8.269 1.00 0.79 H new ATOM 0 HG21 THR A 66 1.402 -6.283 7.737 1.00 0.78 H new ATOM 0 HG22 THR A 66 1.120 -4.866 6.699 1.00 0.78 H new ATOM 0 HG23 THR A 66 1.834 -6.344 6.012 1.00 0.78 H new ATOM 1060 N LEU A 67 2.373 -2.881 4.798 1.00 0.38 N ATOM 1061 CA LEU A 67 1.461 -1.809 4.548 1.00 0.38 C ATOM 1062 C LEU A 67 0.157 -2.488 4.797 1.00 0.37 C ATOM 1063 O LEU A 67 -0.049 -3.688 4.629 1.00 0.50 O ATOM 1064 CB LEU A 67 1.557 -1.269 3.112 1.00 0.46 C ATOM 1065 CG LEU A 67 2.844 -0.447 2.931 1.00 0.65 C ATOM 1066 CD1 LEU A 67 4.229 -1.067 3.188 1.00 1.40 C ATOM 1067 CD2 LEU A 67 2.922 0.169 1.525 1.00 1.31 C ATOM 0 H LEU A 67 2.588 -3.437 3.970 1.00 0.38 H new ATOM 0 HA LEU A 67 1.641 -0.926 5.161 1.00 0.38 H new ATOM 0 HB2 LEU A 67 1.545 -2.098 2.404 1.00 0.46 H new ATOM 0 HB3 LEU A 67 0.688 -0.649 2.891 1.00 0.46 H new ATOM 0 HG LEU A 67 2.696 0.253 3.753 1.00 0.65 H new ATOM 0 HD11 LEU A 67 5.002 -0.321 3.003 1.00 1.40 H new ATOM 0 HD12 LEU A 67 4.290 -1.404 4.223 1.00 1.40 H new ATOM 0 HD13 LEU A 67 4.377 -1.916 2.520 1.00 1.40 H new ATOM 0 HD21 LEU A 67 3.843 0.743 1.430 1.00 1.31 H new ATOM 0 HD22 LEU A 67 2.911 -0.625 0.779 1.00 1.31 H new ATOM 0 HD23 LEU A 67 2.067 0.826 1.368 1.00 1.31 H new ATOM 1079 N HIS A 68 -0.845 -1.698 5.220 1.00 0.35 N ATOM 1080 CA HIS A 68 -2.199 -2.107 5.429 1.00 0.37 C ATOM 1081 C HIS A 68 -3.117 -1.393 4.498 1.00 0.35 C ATOM 1082 O HIS A 68 -3.178 -0.165 4.471 1.00 0.48 O ATOM 1083 CB HIS A 68 -2.579 -1.829 6.894 1.00 0.49 C ATOM 1084 CG HIS A 68 -1.904 -2.745 7.871 1.00 0.75 C ATOM 1085 ND1 HIS A 68 -0.578 -2.779 8.250 1.00 1.35 N ATOM 1086 CD2 HIS A 68 -2.539 -3.524 8.787 1.00 1.48 C ATOM 1087 CE1 HIS A 68 -0.460 -3.604 9.323 1.00 1.41 C ATOM 1088 NE2 HIS A 68 -1.633 -4.119 9.640 1.00 1.51 N ATOM 0 H HIS A 68 -0.700 -0.710 5.429 1.00 0.35 H new ATOM 0 HA HIS A 68 -2.294 -3.174 5.225 1.00 0.37 H new ATOM 0 HB2 HIS A 68 -2.323 -0.798 7.138 1.00 0.49 H new ATOM 0 HB3 HIS A 68 -3.659 -1.924 7.005 1.00 0.49 H new ATOM 0 HD2 HIS A 68 -3.609 -3.659 8.840 1.00 1.48 H new ATOM 0 HE1 HIS A 68 0.464 -3.809 9.843 1.00 1.41 H new ATOM 0 HE2 HIS A 68 -1.828 -4.811 10.363 1.00 1.51 H new ATOM 1096 N LEU A 69 -3.843 -2.234 3.740 1.00 0.36 N ATOM 1097 CA LEU A 69 -4.719 -1.827 2.686 1.00 0.38 C ATOM 1098 C LEU A 69 -6.101 -1.720 3.230 1.00 0.41 C ATOM 1099 O LEU A 69 -6.742 -2.747 3.450 1.00 0.56 O ATOM 1100 CB LEU A 69 -4.728 -2.728 1.439 1.00 0.48 C ATOM 1101 CG LEU A 69 -5.617 -2.291 0.263 1.00 0.56 C ATOM 1102 CD1 LEU A 69 -5.223 -0.873 -0.185 1.00 1.01 C ATOM 1103 CD2 LEU A 69 -5.462 -3.313 -0.876 1.00 1.14 C ATOM 0 H LEU A 69 -3.818 -3.246 3.868 1.00 0.36 H new ATOM 0 HA LEU A 69 -4.334 -0.869 2.336 1.00 0.38 H new ATOM 0 HB2 LEU A 69 -3.704 -2.812 1.075 1.00 0.48 H new ATOM 0 HB3 LEU A 69 -5.040 -3.726 1.746 1.00 0.48 H new ATOM 0 HG LEU A 69 -6.665 -2.261 0.562 1.00 0.56 H new ATOM 0 HD11 LEU A 69 -5.855 -0.566 -1.019 1.00 1.01 H new ATOM 0 HD12 LEU A 69 -5.355 -0.179 0.645 1.00 1.01 H new ATOM 0 HD13 LEU A 69 -4.179 -0.868 -0.500 1.00 1.01 H new ATOM 0 HD21 LEU A 69 -6.087 -3.017 -1.718 1.00 1.14 H new ATOM 0 HD22 LEU A 69 -4.420 -3.349 -1.193 1.00 1.14 H new ATOM 0 HD23 LEU A 69 -5.769 -4.298 -0.525 1.00 1.14 H new ATOM 1115 N VAL A 70 -6.524 -0.470 3.490 1.00 0.45 N ATOM 1116 CA VAL A 70 -7.839 -0.215 3.991 1.00 0.56 C ATOM 1117 C VAL A 70 -8.627 0.270 2.824 1.00 0.55 C ATOM 1118 O VAL A 70 -8.103 0.947 1.940 1.00 0.58 O ATOM 1119 CB VAL A 70 -7.733 0.724 5.156 1.00 0.77 C ATOM 1120 CG1 VAL A 70 -9.165 0.985 5.654 1.00 1.23 C ATOM 1121 CG2 VAL A 70 -6.755 0.105 6.168 1.00 0.97 C ATOM 0 H VAL A 70 -5.955 0.365 3.353 1.00 0.45 H new ATOM 0 HA VAL A 70 -8.358 -1.085 4.393 1.00 0.56 H new ATOM 0 HB VAL A 70 -7.316 1.704 4.922 1.00 0.77 H new ATOM 0 HG11 VAL A 70 -9.136 1.666 6.505 1.00 1.23 H new ATOM 0 HG12 VAL A 70 -9.753 1.431 4.852 1.00 1.23 H new ATOM 0 HG13 VAL A 70 -9.622 0.043 5.959 1.00 1.23 H new ATOM 0 HG21 VAL A 70 -6.656 0.766 7.029 1.00 0.97 H new ATOM 0 HG22 VAL A 70 -7.134 -0.863 6.495 1.00 0.97 H new ATOM 0 HG23 VAL A 70 -5.780 -0.027 5.698 1.00 0.97 H new ATOM 1131 N LEU A 71 -9.880 -0.210 2.720 1.00 0.73 N ATOM 1132 CA LEU A 71 -10.688 0.212 1.618 1.00 0.84 C ATOM 1133 C LEU A 71 -11.851 0.962 2.170 1.00 0.85 C ATOM 1134 O LEU A 71 -12.240 0.850 3.331 1.00 1.03 O ATOM 1135 CB LEU A 71 -11.146 -1.055 0.876 1.00 1.26 C ATOM 1136 CG LEU A 71 -10.008 -1.830 0.190 1.00 1.86 C ATOM 1137 CD1 LEU A 71 -10.670 -2.861 -0.741 1.00 1.95 C ATOM 1138 CD2 LEU A 71 -9.118 -0.909 -0.661 1.00 2.78 C ATOM 0 H LEU A 71 -10.320 -0.863 3.369 1.00 0.73 H new ATOM 0 HA LEU A 71 -10.149 0.859 0.926 1.00 0.84 H new ATOM 0 HB2 LEU A 71 -11.646 -1.716 1.584 1.00 1.26 H new ATOM 0 HB3 LEU A 71 -11.885 -0.776 0.125 1.00 1.26 H new ATOM 0 HG LEU A 71 -9.377 -2.292 0.950 1.00 1.86 H new ATOM 0 HD11 LEU A 71 -9.899 -3.438 -1.252 1.00 1.95 H new ATOM 0 HD12 LEU A 71 -11.296 -3.533 -0.153 1.00 1.95 H new ATOM 0 HD13 LEU A 71 -11.285 -2.344 -1.478 1.00 1.95 H new ATOM 0 HD21 LEU A 71 -8.327 -1.497 -1.127 1.00 2.78 H new ATOM 0 HD22 LEU A 71 -9.721 -0.433 -1.434 1.00 2.78 H new ATOM 0 HD23 LEU A 71 -8.674 -0.143 -0.025 1.00 2.78 H new