USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 629 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 116:sc= 0.043 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0.0449 USER MOD Set 2.1: A 7 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 141:sc= 1.24 (180deg=1.02) USER MOD Single : A 2 GLN : amide:sc= -0.0254 X(o=-0.025,f=-0.45) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 174:sc= 1.28 (180deg=1.08) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -115:sc= 0.106 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.144 USER MOD Single : A 25 ASN : amide:sc= 0.0372 K(o=0.037,f=-2.2!) USER MOD Single : A 27 LYS NZ :NH3+ -171:sc= 1.3 (180deg=0.995) USER MOD Single : A 29 LYS NZ :NH3+ 164:sc= 0.394 (180deg=0.295) USER MOD Single : A 31 GLN : amide:sc= -0.0399 X(o=-0.04,f=-0.43) USER MOD Single : A 33 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.316) USER MOD Single : A 40 GLN : amide:sc= -0.0642 K(o=-0.064,f=-1.8) USER MOD Single : A 41 GLN : amide:sc= 0.433 K(o=0.43,f=-1.9) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.083) USER MOD Single : A 59 TYR OH : rot 30:sc= 0.649 USER MOD Single : A 60 ASN : amide:sc= -0.319 X(o=-0.32,f=-0.029) 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 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) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.832 -7.562 -4.863 1.00 9.67 N ATOM 2 CA MET A 1 11.597 -8.010 -3.472 1.00 10.38 C ATOM 3 C MET A 1 10.196 -8.074 -3.161 1.00 9.62 C ATOM 4 O MET A 1 9.276 -7.704 -3.897 1.00 9.62 O ATOM 5 CB MET A 1 12.317 -7.039 -2.447 1.00 13.77 C ATOM 6 CG MET A 1 11.690 -5.672 -2.296 1.00 16.29 C ATOM 7 SD MET A 1 12.571 -4.540 -1.204 1.00 17.17 S ATOM 8 CE MET A 1 11.219 -3.256 -1.194 1.00 16.11 C ATOM 0 H1 MET A 1 12.655 -6.926 -4.889 1.00 9.67 H new ATOM 0 H2 MET A 1 12.014 -8.388 -5.468 1.00 9.67 H new ATOM 0 H3 MET A 1 10.993 -7.056 -5.211 1.00 9.67 H new ATOM 0 HA MET A 1 12.014 -9.013 -3.384 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.336 -7.521 -1.469 1.00 13.77 H new ATOM 0 HB3 MET A 1 13.353 -6.912 -2.760 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.613 -5.214 -3.282 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.674 -5.795 -1.922 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.520 -2.416 -0.568 1.00 16.11 H new ATOM 0 HE2 MET A 1 11.042 -2.906 -2.211 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.304 -3.695 -0.797 1.00 16.11 H new ATOM 20 N GLN A 2 9.791 -8.604 -1.931 1.00 9.27 N ATOM 21 CA GLN A 2 8.379 -8.677 -1.606 1.00 9.07 C ATOM 22 C GLN A 2 8.067 -7.769 -0.481 1.00 8.72 C ATOM 23 O GLN A 2 8.838 -7.511 0.482 1.00 8.22 O ATOM 24 CB GLN A 2 8.008 -10.110 -1.254 1.00 14.46 C ATOM 25 CG GLN A 2 7.694 -10.823 -2.633 1.00 17.01 C ATOM 26 CD GLN A 2 7.557 -12.301 -2.362 1.00 20.10 C ATOM 27 OE1 GLN A 2 7.031 -12.801 -1.382 1.00 21.89 O ATOM 28 NE2 GLN A 2 8.173 -12.991 -3.379 1.00 19.49 N ATOM 0 H GLN A 2 10.422 -8.958 -1.212 1.00 9.27 H new ATOM 0 HA GLN A 2 7.795 -8.364 -2.471 1.00 9.07 H new ATOM 0 HB2 GLN A 2 8.825 -10.609 -0.732 1.00 14.46 H new ATOM 0 HB3 GLN A 2 7.142 -10.139 -0.592 1.00 14.46 H new ATOM 0 HG2 GLN A 2 6.777 -10.427 -3.069 1.00 17.01 H new ATOM 0 HG3 GLN A 2 8.493 -10.638 -3.351 1.00 17.01 H new ATOM 0 HE21 GLN A 2 8.587 -12.484 -4.162 1.00 19.49 H new ATOM 0 HE22 GLN A 2 8.216 -14.010 -3.351 1.00 19.49 H new ATOM 37 N ILE A 3 6.889 -7.277 -0.426 1.00 5.87 N ATOM 38 CA ILE A 3 6.381 -6.575 0.765 1.00 5.07 C ATOM 39 C ILE A 3 5.001 -7.122 1.156 1.00 4.01 C ATOM 40 O ILE A 3 4.177 -7.498 0.286 1.00 4.61 O ATOM 41 CB ILE A 3 6.203 -5.054 0.416 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.476 -4.839 -0.937 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.590 -4.482 0.583 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.858 -3.449 -0.987 1.00 10.83 C ATOM 0 H ILE A 3 6.219 -7.332 -1.193 1.00 5.87 H new ATOM 0 HA ILE A 3 7.086 -6.718 1.584 1.00 5.07 H new ATOM 0 HB ILE A 3 5.521 -4.509 1.069 1.00 6.55 H new ATOM 0 HG12 ILE A 3 6.180 -4.962 -1.760 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.701 -5.594 -1.066 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.573 -3.415 0.360 1.00 5.58 H new ATOM 0 HG22 ILE A 3 7.925 -4.633 1.609 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.275 -4.984 -0.100 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.351 -3.311 -1.942 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.139 -3.341 -0.175 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.641 -2.699 -0.880 1.00 10.83 H new ATOM 56 N PHE A 4 4.725 -7.341 2.491 1.00 4.55 N ATOM 57 CA PHE A 4 3.468 -7.796 3.012 1.00 4.68 C ATOM 58 C PHE A 4 2.604 -6.552 3.248 1.00 5.30 C ATOM 59 O PHE A 4 3.048 -5.480 3.580 1.00 5.58 O ATOM 60 CB PHE A 4 3.626 -8.583 4.286 1.00 4.83 C ATOM 61 CG PHE A 4 4.540 -9.782 4.287 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.203 -10.977 3.638 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.755 -9.716 4.963 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.066 -12.075 3.596 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.577 -10.897 5.044 1.00 10.61 C ATOM 66 CZ PHE A 4 6.259 -12.013 4.334 1.00 8.90 C ATOM 0 H PHE A 4 5.421 -7.188 3.221 1.00 4.55 H new ATOM 0 HA PHE A 4 3.001 -8.475 2.299 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.979 -7.898 5.056 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.636 -8.922 4.590 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.241 -11.052 3.153 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.077 -8.792 5.421 1.00 8.34 H new ATOM 0 HE1 PHE A 4 4.822 -12.949 3.011 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.454 -10.896 5.674 1.00 10.61 H new ATOM 0 HZ PHE A 4 6.930 -12.859 4.338 1.00 8.90 H new ATOM 76 N VAL A 5 1.243 -6.717 2.978 1.00 4.44 N ATOM 77 CA VAL A 5 0.247 -5.664 3.209 1.00 3.87 C ATOM 78 C VAL A 5 -0.884 -6.217 4.066 1.00 4.93 C ATOM 79 O VAL A 5 -1.481 -7.243 3.769 1.00 6.84 O ATOM 80 CB VAL A 5 -0.306 -5.024 1.936 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.203 -3.892 2.282 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.838 -4.295 1.175 1.00 9.13 C ATOM 0 H VAL A 5 0.849 -7.579 2.602 1.00 4.44 H new ATOM 0 HA VAL A 5 0.765 -4.859 3.729 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.790 -5.820 1.371 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.592 -3.443 1.368 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.032 -4.257 2.888 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -0.644 -3.144 2.845 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.440 -3.840 0.268 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.263 -3.520 1.813 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.614 -5.013 0.910 1.00 9.13 H new ATOM 92 N LYS A 6 -1.175 -5.599 5.247 1.00 6.04 N ATOM 93 CA LYS A 6 -2.058 -6.210 6.217 1.00 6.12 C ATOM 94 C LYS A 6 -3.334 -5.364 6.461 1.00 6.57 C ATOM 95 O LYS A 6 -3.281 -4.148 6.636 1.00 5.76 O ATOM 96 CB LYS A 6 -1.351 -6.480 7.568 1.00 7.45 C ATOM 97 CG LYS A 6 -2.133 -7.391 8.552 1.00 11.12 C ATOM 98 CD LYS A 6 -1.446 -7.526 9.856 1.00 14.54 C ATOM 99 CE LYS A 6 -2.356 -8.303 10.835 1.00 18.84 C ATOM 100 NZ LYS A 6 -1.777 -8.148 12.215 1.00 20.55 N ATOM 0 H LYS A 6 -0.804 -4.690 5.524 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.352 -7.166 5.784 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.382 -6.936 7.368 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -1.159 -5.525 8.057 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -3.130 -6.981 8.710 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -2.261 -8.378 8.107 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -0.499 -8.050 9.728 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.214 -6.541 10.261 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -3.374 -7.915 10.801 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -2.407 -9.356 10.557 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -2.369 -8.661 12.899 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -0.812 -8.536 12.232 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -1.750 -7.140 12.469 1.00 20.55 H new ATOM 114 N THR A 7 -4.522 -6.028 6.472 1.00 7.41 N ATOM 115 CA THR A 7 -5.822 -5.337 6.633 1.00 7.48 C ATOM 116 C THR A 7 -6.136 -5.091 8.029 1.00 8.75 C ATOM 117 O THR A 7 -5.621 -5.828 8.870 1.00 8.58 O ATOM 118 CB THR A 7 -6.917 -6.021 5.859 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.344 -7.314 6.319 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.498 -6.227 4.461 1.00 9.17 C ATOM 0 H THR A 7 -4.601 -7.040 6.371 1.00 7.41 H new ATOM 0 HA THR A 7 -5.735 -4.346 6.187 1.00 7.48 H new ATOM 0 HB THR A 7 -7.754 -5.336 5.993 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.057 -7.649 5.736 1.00 11.78 H new ATOM 0 HG21 THR A 7 -7.298 -6.722 3.911 1.00 9.17 H new ATOM 0 HG22 THR A 7 -6.283 -5.263 4.000 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.603 -6.848 4.437 1.00 9.17 H new ATOM 128 N LEU A 8 -7.028 -4.131 8.445 1.00 9.84 N ATOM 129 CA LEU A 8 -7.366 -3.871 9.863 1.00 14.15 C ATOM 130 C LEU A 8 -8.004 -5.051 10.587 1.00 17.37 C ATOM 131 O LEU A 8 -7.853 -5.227 11.813 1.00 17.01 O ATOM 132 CB LEU A 8 -8.278 -2.615 10.020 1.00 16.63 C ATOM 133 CG LEU A 8 -7.637 -1.280 9.530 1.00 18.88 C ATOM 134 CD1 LEU A 8 -8.424 0.003 9.917 1.00 19.31 C ATOM 135 CD2 LEU A 8 -6.159 -1.125 9.818 1.00 18.59 C ATOM 0 H LEU A 8 -7.526 -3.523 7.795 1.00 9.84 H new ATOM 0 HA LEU A 8 -6.402 -3.691 10.338 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -9.203 -2.783 9.468 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -8.549 -2.508 11.070 1.00 16.63 H new ATOM 0 HG LEU A 8 -7.722 -1.384 8.448 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -7.902 0.880 9.533 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -9.425 -0.040 9.487 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -8.498 0.071 11.002 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -5.813 -0.164 9.437 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -5.991 -1.170 10.894 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -5.607 -1.929 9.331 1.00 18.59 H new ATOM 147 N THR A 9 -8.674 -5.905 9.779 1.00 18.33 N ATOM 148 CA THR A 9 -9.507 -7.005 10.200 1.00 19.24 C ATOM 149 C THR A 9 -8.758 -8.293 10.081 1.00 19.48 C ATOM 150 O THR A 9 -9.289 -9.402 10.244 1.00 23.14 O ATOM 151 CB THR A 9 -10.877 -7.105 9.559 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.756 -7.354 8.129 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.604 -5.777 9.840 1.00 19.70 C ATOM 0 H THR A 9 -8.631 -5.822 8.763 1.00 18.33 H new ATOM 0 HA THR A 9 -9.737 -6.788 11.243 1.00 19.24 H new ATOM 0 HB THR A 9 -11.444 -7.939 9.973 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.649 -7.417 7.731 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.598 -5.805 9.395 1.00 19.70 H new ATOM 0 HG22 THR A 9 -11.693 -5.631 10.917 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.036 -4.953 9.408 1.00 19.70 H new ATOM 161 N GLY A 10 -7.394 -8.204 9.847 1.00 19.43 N ATOM 162 CA GLY A 10 -6.355 -9.241 10.071 1.00 18.74 C ATOM 163 C GLY A 10 -5.910 -10.124 8.971 1.00 17.62 C ATOM 164 O GLY A 10 -5.076 -10.991 9.170 1.00 19.74 O ATOM 0 H GLY A 10 -6.987 -7.346 9.475 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.469 -8.729 10.448 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -6.715 -9.886 10.872 1.00 18.74 H new ATOM 168 N LYS A 11 -6.383 -10.015 7.719 1.00 13.56 N ATOM 169 CA LYS A 11 -5.799 -10.777 6.592 1.00 11.91 C ATOM 170 C LYS A 11 -4.510 -10.185 6.059 1.00 10.18 C ATOM 171 O LYS A 11 -4.354 -8.952 6.012 1.00 9.10 O ATOM 172 CB LYS A 11 -6.840 -10.694 5.387 1.00 13.43 C ATOM 173 CG LYS A 11 -6.705 -11.767 4.376 1.00 16.69 C ATOM 174 CD LYS A 11 -7.811 -11.833 3.325 1.00 17.92 C ATOM 175 CE LYS A 11 -7.727 -10.656 2.261 1.00 20.81 C ATOM 176 NZ LYS A 11 -8.877 -10.813 1.318 1.00 21.93 N ATOM 0 H LYS A 11 -7.163 -9.412 7.458 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.592 -11.783 6.956 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.850 -10.724 5.795 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.725 -9.730 4.891 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.751 -11.640 3.865 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.664 -12.725 4.894 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -7.755 -12.790 2.806 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -8.780 -11.797 3.823 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -7.770 -9.687 2.758 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -6.781 -10.696 1.721 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -8.909 -10.000 0.671 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -8.759 -11.688 0.769 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -9.765 -10.860 1.858 1.00 21.93 H new ATOM 190 N THR A 12 -3.548 -11.016 5.514 1.00 9.63 N ATOM 191 CA THR A 12 -2.441 -10.462 4.761 1.00 9.85 C ATOM 192 C THR A 12 -2.497 -10.838 3.234 1.00 11.66 C ATOM 193 O THR A 12 -2.982 -11.906 2.859 1.00 12.33 O ATOM 194 CB THR A 12 -1.083 -10.923 5.248 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.013 -12.344 5.362 1.00 10.91 O ATOM 196 CG2 THR A 12 -0.796 -10.348 6.609 1.00 9.63 C ATOM 0 H THR A 12 -3.546 -12.033 5.598 1.00 9.63 H new ATOM 0 HA THR A 12 -2.554 -9.388 4.911 1.00 9.85 H new ATOM 0 HB THR A 12 -0.355 -10.580 4.513 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.122 -12.603 5.677 1.00 10.91 H new ATOM 0 HG21 THR A 12 0.183 -10.687 6.948 1.00 9.63 H new ATOM 0 HG22 THR A 12 -0.804 -9.259 6.553 1.00 9.63 H new ATOM 0 HG23 THR A 12 -1.559 -10.681 7.313 1.00 9.63 H new ATOM 204 N ILE A 13 -1.981 -9.906 2.373 1.00 10.42 N ATOM 205 CA ILE A 13 -1.595 -10.146 0.946 1.00 11.84 C ATOM 206 C ILE A 13 -0.132 -9.743 0.776 1.00 10.55 C ATOM 207 O ILE A 13 0.370 -8.877 1.427 1.00 11.92 O ATOM 208 CB ILE A 13 -2.521 -9.371 0.026 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.810 -7.922 0.492 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.844 -10.234 -0.136 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.469 -7.065 -0.612 1.00 16.46 C ATOM 0 H ILE A 13 -1.818 -8.941 2.662 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.697 -11.198 0.681 1.00 11.84 H new ATOM 0 HB ILE A 13 -2.031 -9.229 -0.937 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -3.462 -7.948 1.365 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.878 -7.452 0.804 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.541 -9.712 -0.792 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -3.595 -11.203 -0.568 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -4.305 -10.379 0.841 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -3.650 -6.059 -0.233 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -2.807 -7.013 -1.476 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.416 -7.517 -0.907 1.00 16.46 H new ATOM 223 N THR A 14 0.574 -10.484 -0.056 1.00 9.39 N ATOM 224 CA THR A 14 2.040 -10.301 -0.273 1.00 9.63 C ATOM 225 C THR A 14 2.280 -9.803 -1.654 1.00 11.20 C ATOM 226 O THR A 14 1.928 -10.453 -2.606 1.00 11.63 O ATOM 227 CB THR A 14 2.831 -11.653 -0.100 1.00 10.38 C ATOM 228 OG1 THR A 14 2.422 -12.298 1.063 1.00 16.30 O ATOM 229 CG2 THR A 14 4.312 -11.406 0.104 1.00 11.66 C ATOM 0 H THR A 14 0.169 -11.237 -0.612 1.00 9.39 H new ATOM 0 HA THR A 14 2.392 -9.587 0.472 1.00 9.63 H new ATOM 0 HB THR A 14 2.641 -12.236 -1.001 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.169 -12.336 1.696 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.827 -12.359 0.220 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.715 -10.878 -0.760 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.460 -10.802 0.999 1.00 11.66 H new ATOM 237 N LEU A 15 2.927 -8.647 -1.820 1.00 8.29 N ATOM 238 CA LEU A 15 3.104 -7.981 -3.110 1.00 9.03 C ATOM 239 C LEU A 15 4.603 -8.005 -3.518 1.00 8.59 C ATOM 240 O LEU A 15 5.535 -7.916 -2.772 1.00 7.79 O ATOM 241 CB LEU A 15 2.615 -6.565 -3.002 1.00 11.08 C ATOM 242 CG LEU A 15 1.256 -6.452 -2.195 1.00 15.79 C ATOM 243 CD1 LEU A 15 0.888 -4.972 -2.267 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.052 -7.213 -2.833 1.00 15.27 C ATOM 0 H LEU A 15 3.351 -8.138 -1.044 1.00 8.29 H new ATOM 0 HA LEU A 15 2.530 -8.504 -3.875 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.376 -5.958 -2.512 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.475 -6.155 -4.002 1.00 11.08 H new ATOM 0 HG LEU A 15 1.415 -6.874 -1.203 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.046 -4.803 -1.731 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.680 -4.378 -1.812 1.00 15.88 H new ATOM 0 HD13 LEU A 15 0.766 -4.678 -3.309 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.834 -7.079 -2.212 1.00 15.27 H new ATOM 0 HD22 LEU A 15 -0.141 -6.818 -3.830 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.289 -8.275 -2.903 1.00 15.27 H new ATOM 256 N GLU A 16 4.787 -8.284 -4.796 1.00 11.04 N ATOM 257 CA GLU A 16 6.114 -8.415 -5.407 1.00 11.50 C ATOM 258 C GLU A 16 6.413 -7.141 -6.157 1.00 10.13 C ATOM 259 O GLU A 16 5.693 -6.728 -7.040 1.00 9.83 O ATOM 260 CB GLU A 16 5.891 -9.568 -6.443 1.00 17.22 C ATOM 261 CG GLU A 16 5.769 -10.991 -5.832 1.00 23.33 C ATOM 262 CD GLU A 16 5.250 -12.053 -6.747 1.00 26.99 C ATOM 263 OE1 GLU A 16 5.258 -11.903 -7.988 1.00 28.90 O ATOM 264 OE2 GLU A 16 4.842 -13.112 -6.196 1.00 28.86 O ATOM 0 H GLU A 16 4.019 -8.429 -5.451 1.00 11.04 H new ATOM 0 HA GLU A 16 6.922 -8.603 -4.700 1.00 11.50 H new ATOM 0 HB2 GLU A 16 4.985 -9.355 -7.011 1.00 17.22 H new ATOM 0 HB3 GLU A 16 6.719 -9.564 -7.151 1.00 17.22 H new ATOM 0 HG2 GLU A 16 6.752 -11.297 -5.473 1.00 23.33 H new ATOM 0 HG3 GLU A 16 5.115 -10.937 -4.962 1.00 23.33 H new ATOM 271 N VAL A 17 7.494 -6.476 -5.712 1.00 8.99 N ATOM 272 CA VAL A 17 7.773 -5.087 -6.035 1.00 8.85 C ATOM 273 C VAL A 17 9.301 -4.960 -6.158 1.00 8.04 C ATOM 274 O VAL A 17 10.112 -5.899 -5.923 1.00 8.99 O ATOM 275 CB VAL A 17 7.329 -4.050 -4.967 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.817 -4.069 -4.783 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.983 -4.418 -3.638 1.00 10.54 C ATOM 0 H VAL A 17 8.200 -6.903 -5.112 1.00 8.99 H new ATOM 0 HA VAL A 17 7.210 -4.862 -6.941 1.00 8.85 H new ATOM 0 HB VAL A 17 7.630 -3.055 -5.295 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.533 -3.334 -4.030 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.332 -3.826 -5.729 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.502 -5.061 -4.459 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.683 -3.701 -2.874 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.666 -5.418 -3.341 1.00 10.54 H new ATOM 0 HG23 VAL A 17 9.067 -4.399 -3.748 1.00 10.54 H new ATOM 287 N GLU A 18 9.739 -3.788 -6.680 1.00 7.29 N ATOM 288 CA GLU A 18 11.164 -3.409 -6.657 1.00 7.08 C ATOM 289 C GLU A 18 11.151 -1.984 -5.968 1.00 6.45 C ATOM 290 O GLU A 18 10.139 -1.316 -6.166 1.00 5.28 O ATOM 291 CB GLU A 18 11.718 -3.235 -8.094 1.00 10.28 C ATOM 292 CG GLU A 18 11.963 -4.545 -8.808 1.00 12.65 C ATOM 293 CD GLU A 18 13.167 -5.353 -8.347 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.930 -4.957 -7.436 1.00 14.33 O ATOM 295 OE2 GLU A 18 13.432 -6.437 -8.944 1.00 18.17 O ATOM 0 H GLU A 18 9.128 -3.098 -7.117 1.00 7.29 H new ATOM 0 HA GLU A 18 11.776 -4.158 -6.154 1.00 7.08 H new ATOM 0 HB2 GLU A 18 11.015 -2.639 -8.676 1.00 10.28 H new ATOM 0 HB3 GLU A 18 12.652 -2.674 -8.050 1.00 10.28 H new ATOM 0 HG2 GLU A 18 11.073 -5.165 -8.698 1.00 12.65 H new ATOM 0 HG3 GLU A 18 12.078 -4.338 -9.872 1.00 12.65 H new ATOM 302 N PRO A 19 12.156 -1.471 -5.358 1.00 7.24 N ATOM 303 CA PRO A 19 12.012 -0.315 -4.509 1.00 7.07 C ATOM 304 C PRO A 19 11.759 1.030 -5.219 1.00 6.65 C ATOM 305 O PRO A 19 11.517 2.042 -4.534 1.00 6.37 O ATOM 306 CB PRO A 19 13.418 -0.277 -3.765 1.00 7.61 C ATOM 307 CG PRO A 19 14.364 -1.126 -4.552 1.00 8.16 C ATOM 308 CD PRO A 19 13.447 -2.169 -5.186 1.00 7.49 C ATOM 0 HA PRO A 19 11.127 -0.417 -3.881 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.788 0.746 -3.695 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.323 -0.652 -2.746 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.896 -0.545 -5.306 1.00 8.16 H new ATOM 0 HG3 PRO A 19 15.118 -1.587 -3.914 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.841 -2.516 -6.141 1.00 7.49 H new ATOM 0 HD3 PRO A 19 13.342 -3.046 -4.547 1.00 7.49 H new ATOM 316 N SER A 20 11.852 1.065 -6.595 1.00 6.80 N ATOM 317 CA SER A 20 11.562 2.161 -7.381 1.00 6.28 C ATOM 318 C SER A 20 10.131 2.238 -7.772 1.00 8.45 C ATOM 319 O SER A 20 9.652 3.210 -8.375 1.00 7.26 O ATOM 320 CB SER A 20 12.392 2.124 -8.674 1.00 8.57 C ATOM 321 OG SER A 20 12.255 0.903 -9.450 1.00 11.13 O ATOM 0 H SER A 20 12.151 0.256 -7.140 1.00 6.80 H new ATOM 0 HA SER A 20 11.804 3.033 -6.773 1.00 6.28 H new ATOM 0 HB2 SER A 20 12.104 2.969 -9.299 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.443 2.260 -8.419 1.00 8.57 H new ATOM 0 HG SER A 20 12.812 0.962 -10.254 1.00 11.13 H new ATOM 327 N ASP A 21 9.258 1.247 -7.388 1.00 7.50 N ATOM 328 CA ASP A 21 7.836 1.401 -7.502 1.00 7.70 C ATOM 329 C ASP A 21 7.232 2.443 -6.643 1.00 7.08 C ATOM 330 O ASP A 21 7.696 2.631 -5.535 1.00 8.11 O ATOM 331 CB ASP A 21 7.203 -0.023 -7.282 1.00 11.00 C ATOM 332 CG ASP A 21 7.382 -0.915 -8.548 1.00 15.32 C ATOM 333 OD1 ASP A 21 6.885 -0.580 -9.694 1.00 18.03 O ATOM 334 OD2 ASP A 21 8.013 -2.018 -8.518 1.00 14.36 O ATOM 0 H ASP A 21 9.553 0.350 -7.003 1.00 7.50 H new ATOM 0 HA ASP A 21 7.611 1.784 -8.497 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.672 -0.505 -6.424 1.00 11.00 H new ATOM 0 HB3 ASP A 21 6.143 0.078 -7.051 1.00 11.00 H new ATOM 339 N THR A 22 6.193 3.178 -7.139 1.00 5.37 N ATOM 340 CA THR A 22 5.510 4.233 -6.402 1.00 6.01 C ATOM 341 C THR A 22 4.446 3.530 -5.511 1.00 8.01 C ATOM 342 O THR A 22 4.043 2.396 -5.584 1.00 8.11 O ATOM 343 CB THR A 22 4.705 5.253 -7.224 1.00 8.92 C ATOM 344 OG1 THR A 22 3.766 4.631 -8.128 1.00 10.22 O ATOM 345 CG2 THR A 22 5.663 5.933 -8.141 1.00 9.65 C ATOM 0 H THR A 22 5.817 3.036 -8.077 1.00 5.37 H new ATOM 0 HA THR A 22 6.304 4.784 -5.899 1.00 6.01 H new ATOM 0 HB THR A 22 4.185 5.895 -6.513 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.281 5.324 -8.623 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.130 6.668 -8.745 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.433 6.435 -7.555 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.127 5.195 -8.795 1.00 9.65 H new ATOM 353 N ILE A 23 3.900 4.257 -4.510 1.00 8.32 N ATOM 354 CA ILE A 23 2.815 3.847 -3.609 1.00 9.92 C ATOM 355 C ILE A 23 1.598 3.564 -4.450 1.00 10.01 C ATOM 356 O ILE A 23 0.814 2.658 -4.140 1.00 8.71 O ATOM 357 CB ILE A 23 2.571 5.024 -2.548 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.823 5.346 -1.611 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.344 4.655 -1.684 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.337 4.159 -0.887 1.00 12.30 C ATOM 0 H ILE A 23 4.229 5.200 -4.303 1.00 8.32 H new ATOM 0 HA ILE A 23 3.058 2.943 -3.050 1.00 9.92 H new ATOM 0 HB ILE A 23 2.403 5.936 -3.121 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.624 5.766 -2.219 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.539 6.109 -0.887 1.00 11.38 H new ATOM 0 HG21 ILE A 23 1.162 5.445 -0.955 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.469 4.543 -2.324 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.535 3.717 -1.163 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.187 4.449 -0.269 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.550 3.751 -0.253 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.652 3.403 -1.606 1.00 12.30 H new ATOM 372 N GLU A 24 1.418 4.360 -5.537 1.00 9.54 N ATOM 373 CA GLU A 24 0.315 4.179 -6.480 1.00 11.81 C ATOM 374 C GLU A 24 0.352 2.925 -7.316 1.00 11.14 C ATOM 375 O GLU A 24 -0.635 2.268 -7.611 1.00 10.62 O ATOM 376 CB GLU A 24 0.205 5.500 -7.351 1.00 19.24 C ATOM 377 CG GLU A 24 -1.033 5.537 -8.292 1.00 27.76 C ATOM 378 CD GLU A 24 -1.085 6.592 -9.319 1.00 32.92 C ATOM 379 OE1 GLU A 24 -0.094 7.423 -9.333 1.00 34.80 O ATOM 380 OE2 GLU A 24 -1.948 6.579 -10.209 1.00 36.51 O ATOM 0 H GLU A 24 2.037 5.136 -5.771 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.590 4.020 -5.894 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.167 6.361 -6.683 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.108 5.603 -7.952 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.098 4.574 -8.798 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -1.923 5.631 -7.670 1.00 27.76 H new ATOM 387 N ASN A 25 1.581 2.469 -7.635 1.00 9.43 N ATOM 388 CA ASN A 25 1.788 1.126 -8.208 1.00 10.96 C ATOM 389 C ASN A 25 1.512 0.001 -7.176 1.00 9.68 C ATOM 390 O ASN A 25 1.088 -1.071 -7.490 1.00 9.33 O ATOM 391 CB ASN A 25 3.257 0.907 -8.710 1.00 16.78 C ATOM 392 CG ASN A 25 3.556 1.785 -9.921 1.00 22.31 C ATOM 393 OD1 ASN A 25 2.648 2.422 -10.394 1.00 25.66 O ATOM 394 ND2 ASN A 25 4.801 1.785 -10.453 1.00 24.70 N ATOM 0 H ASN A 25 2.438 3.007 -7.506 1.00 9.43 H new ATOM 0 HA ASN A 25 1.086 1.074 -9.040 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.958 1.137 -7.907 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.404 -0.141 -8.971 1.00 16.78 H new ATOM 0 HD21 ASN A 25 5.000 2.339 -11.286 1.00 24.70 H new ATOM 0 HD22 ASN A 25 5.540 1.231 -10.020 1.00 24.70 H new ATOM 401 N VAL A 26 1.788 0.224 -5.912 1.00 6.52 N ATOM 402 CA VAL A 26 1.400 -0.838 -4.901 1.00 5.53 C ATOM 403 C VAL A 26 -0.092 -0.924 -4.827 1.00 4.42 C ATOM 404 O VAL A 26 -0.683 -2.035 -4.884 1.00 3.40 O ATOM 405 CB VAL A 26 2.016 -0.530 -3.539 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.415 -1.400 -2.423 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.555 -0.871 -3.629 1.00 8.12 C ATOM 0 H VAL A 26 2.245 1.055 -5.538 1.00 6.52 H new ATOM 0 HA VAL A 26 1.787 -1.807 -5.217 1.00 5.53 H new ATOM 0 HB VAL A 26 1.824 0.516 -3.301 1.00 3.86 H new ATOM 0 HG11 VAL A 26 1.883 -1.146 -1.472 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.342 -1.219 -2.359 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.593 -2.452 -2.646 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.030 -0.663 -2.671 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.680 -1.926 -3.875 1.00 8.12 H new ATOM 0 HG23 VAL A 26 4.018 -0.260 -4.404 1.00 8.12 H new ATOM 417 N LYS A 27 -0.871 0.191 -4.959 1.00 2.64 N ATOM 418 CA LYS A 27 -2.369 0.094 -5.057 1.00 4.14 C ATOM 419 C LYS A 27 -2.943 -0.666 -6.227 1.00 5.58 C ATOM 420 O LYS A 27 -3.961 -1.295 -6.096 1.00 4.11 O ATOM 421 CB LYS A 27 -3.034 1.511 -4.915 1.00 3.97 C ATOM 422 CG LYS A 27 -2.677 2.205 -3.587 1.00 7.45 C ATOM 423 CD LYS A 27 -2.785 3.721 -3.665 1.00 9.02 C ATOM 424 CE LYS A 27 -4.194 4.334 -3.469 1.00 12.90 C ATOM 425 NZ LYS A 27 -4.106 5.773 -3.797 1.00 15.47 N ATOM 0 H LYS A 27 -0.505 1.142 -5.000 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.632 -0.538 -4.209 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.717 2.141 -5.746 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.117 1.409 -4.987 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.338 1.838 -2.802 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.661 1.932 -3.302 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -2.122 4.148 -2.912 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -2.409 4.038 -4.638 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -4.920 3.838 -4.113 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -4.532 4.195 -2.442 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -4.994 6.245 -3.531 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.316 6.201 -3.273 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -3.946 5.887 -4.818 1.00 15.47 H new ATOM 439 N ALA A 28 -2.403 -0.535 -7.407 1.00 6.61 N ATOM 440 CA ALA A 28 -2.658 -1.311 -8.617 1.00 7.74 C ATOM 441 C ALA A 28 -2.498 -2.781 -8.404 1.00 9.17 C ATOM 442 O ALA A 28 -3.336 -3.504 -8.860 1.00 11.45 O ATOM 443 CB ALA A 28 -1.826 -0.884 -9.793 1.00 7.68 C ATOM 0 H ALA A 28 -1.702 0.186 -7.575 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.701 -1.101 -8.853 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.069 -1.505 -10.655 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.035 0.160 -10.027 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.769 -0.997 -9.551 1.00 7.68 H new ATOM 449 N LYS A 29 -1.452 -3.270 -7.656 1.00 8.96 N ATOM 450 CA LYS A 29 -1.174 -4.633 -7.255 1.00 7.90 C ATOM 451 C LYS A 29 -2.152 -5.116 -6.200 1.00 6.92 C ATOM 452 O LYS A 29 -2.508 -6.281 -6.184 1.00 6.87 O ATOM 453 CB LYS A 29 0.331 -4.672 -6.771 1.00 10.28 C ATOM 454 CG LYS A 29 1.296 -4.422 -7.925 1.00 14.94 C ATOM 455 CD LYS A 29 2.746 -4.327 -7.497 1.00 19.69 C ATOM 456 CE LYS A 29 3.759 -4.287 -8.631 1.00 22.63 C ATOM 457 NZ LYS A 29 4.005 -5.564 -9.291 1.00 24.98 N ATOM 0 H LYS A 29 -0.736 -2.635 -7.303 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.307 -5.322 -8.089 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.485 -3.920 -5.997 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.544 -5.641 -6.320 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.193 -5.226 -8.653 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.014 -3.498 -8.429 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.870 -3.430 -6.890 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.975 -5.179 -6.857 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.416 -3.571 -9.378 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.704 -3.911 -8.239 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.484 -5.399 -10.199 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.607 -6.158 -8.685 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 3.100 -6.048 -9.460 1.00 24.98 H new ATOM 471 N ILE A 30 -2.620 -4.212 -5.325 1.00 4.57 N ATOM 472 CA ILE A 30 -3.756 -4.428 -4.420 1.00 5.58 C ATOM 473 C ILE A 30 -5.066 -4.497 -5.150 1.00 7.26 C ATOM 474 O ILE A 30 -5.854 -5.408 -4.830 1.00 9.46 O ATOM 475 CB ILE A 30 -3.801 -3.401 -3.328 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.569 -3.544 -2.469 1.00 2.94 C ATOM 477 CG2 ILE A 30 -5.119 -3.596 -2.433 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.397 -2.358 -1.480 1.00 2.00 C ATOM 0 H ILE A 30 -2.206 -3.285 -5.226 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.596 -5.401 -3.956 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.829 -2.405 -3.769 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.627 -4.477 -1.908 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.689 -3.611 -3.109 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.138 -2.844 -1.645 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -6.004 -3.487 -3.060 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -5.111 -4.590 -1.986 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.496 -2.508 -0.885 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.311 -1.427 -2.040 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.263 -2.306 -0.820 1.00 2.00 H new ATOM 490 N GLN A 31 -5.355 -3.649 -6.124 1.00 7.06 N ATOM 491 CA GLN A 31 -6.468 -3.692 -6.978 1.00 8.67 C ATOM 492 C GLN A 31 -6.433 -4.993 -7.795 1.00 10.90 C ATOM 493 O GLN A 31 -7.491 -5.585 -7.917 1.00 9.63 O ATOM 494 CB GLN A 31 -6.686 -2.491 -7.930 1.00 9.12 C ATOM 495 CG GLN A 31 -7.838 -2.691 -8.968 1.00 10.76 C ATOM 496 CD GLN A 31 -8.344 -1.396 -9.639 1.00 13.78 C ATOM 497 OE1 GLN A 31 -9.493 -0.946 -9.473 1.00 14.48 O ATOM 498 NE2 GLN A 31 -7.551 -0.786 -10.471 1.00 14.76 N ATOM 0 H GLN A 31 -4.748 -2.856 -6.332 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.319 -3.641 -6.299 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.901 -1.604 -7.333 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.758 -2.296 -8.468 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.493 -3.374 -9.744 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.677 -3.175 -8.468 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -6.605 -1.136 -10.624 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -7.875 0.042 -10.971 1.00 14.76 H new ATOM 507 N ASP A 32 -5.305 -5.466 -8.322 1.00 10.93 N ATOM 508 CA ASP A 32 -5.204 -6.680 -9.129 1.00 14.01 C ATOM 509 C ASP A 32 -5.469 -7.938 -8.356 1.00 14.04 C ATOM 510 O ASP A 32 -6.225 -8.809 -8.780 1.00 13.39 O ATOM 511 CB ASP A 32 -3.767 -6.652 -9.752 1.00 18.01 C ATOM 512 CG ASP A 32 -3.515 -7.916 -10.560 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.107 -8.012 -11.681 1.00 25.17 O ATOM 514 OD2 ASP A 32 -2.834 -8.843 -10.090 1.00 26.29 O ATOM 0 H ASP A 32 -4.407 -4.999 -8.195 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.976 -6.692 -9.899 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.658 -5.776 -10.392 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.022 -6.564 -8.961 1.00 18.01 H new ATOM 519 N LYS A 33 -5.039 -7.964 -7.023 1.00 14.22 N ATOM 520 CA LYS A 33 -5.366 -9.081 -6.197 1.00 14.00 C ATOM 521 C LYS A 33 -6.811 -9.117 -5.738 1.00 12.37 C ATOM 522 O LYS A 33 -7.525 -10.087 -5.893 1.00 12.17 O ATOM 523 CB LYS A 33 -4.462 -9.143 -4.964 1.00 18.62 C ATOM 524 CG LYS A 33 -3.375 -10.180 -5.222 1.00 24.00 C ATOM 525 CD LYS A 33 -2.304 -10.009 -4.133 1.00 27.61 C ATOM 526 CE LYS A 33 -1.062 -10.810 -4.435 1.00 27.64 C ATOM 527 NZ LYS A 33 -1.424 -12.231 -4.560 1.00 30.06 N ATOM 0 H LYS A 33 -4.493 -7.231 -6.570 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.205 -9.949 -6.837 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.018 -8.167 -4.769 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -5.042 -9.412 -4.081 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -3.792 -11.187 -5.195 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.940 -10.041 -6.212 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.043 -8.955 -4.043 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.712 -10.320 -3.171 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.602 -10.457 -5.358 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.327 -10.678 -3.641 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -0.564 -12.814 -4.514 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -2.064 -12.496 -3.784 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.900 -12.389 -5.471 1.00 30.06 H new ATOM 541 N GLU A 34 -7.254 -8.006 -5.169 1.00 10.11 N ATOM 542 CA GLU A 34 -8.447 -7.956 -4.337 1.00 10.07 C ATOM 543 C GLU A 34 -9.610 -7.283 -5.002 1.00 9.32 C ATOM 544 O GLU A 34 -10.730 -7.272 -4.463 1.00 11.61 O ATOM 545 CB GLU A 34 -8.234 -7.183 -3.058 1.00 14.77 C ATOM 546 CG GLU A 34 -7.237 -7.869 -2.093 1.00 18.75 C ATOM 547 CD GLU A 34 -7.839 -9.112 -1.502 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.648 -8.937 -0.575 1.00 21.95 O ATOM 549 OE2 GLU A 34 -7.602 -10.203 -1.936 1.00 25.19 O ATOM 0 H GLU A 34 -6.790 -7.104 -5.273 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.657 -9.008 -4.146 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.868 -6.185 -3.300 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -9.192 -7.057 -2.553 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.321 -8.121 -2.628 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.961 -7.178 -1.296 1.00 18.75 H new ATOM 556 N GLY A 35 -9.461 -6.922 -6.288 1.00 7.22 N ATOM 557 CA GLY A 35 -10.581 -6.115 -6.943 1.00 6.29 C ATOM 558 C GLY A 35 -10.946 -4.792 -6.301 1.00 6.93 C ATOM 559 O GLY A 35 -12.157 -4.409 -6.303 1.00 7.41 O ATOM 0 H GLY A 35 -8.659 -7.138 -6.879 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.298 -5.922 -7.978 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.476 -6.737 -6.968 1.00 6.29 H new ATOM 563 N ILE A 36 -10.115 -3.988 -5.644 1.00 5.86 N ATOM 564 CA ILE A 36 -10.541 -2.899 -4.751 1.00 6.07 C ATOM 565 C ILE A 36 -10.100 -1.605 -5.452 1.00 6.36 C ATOM 566 O ILE A 36 -8.910 -1.499 -5.769 1.00 6.18 O ATOM 567 CB ILE A 36 -10.048 -2.995 -3.239 1.00 7.47 C ATOM 568 CG1 ILE A 36 -10.493 -4.273 -2.497 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.637 -1.785 -2.530 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.666 -4.624 -1.216 1.00 9.49 C ATOM 0 H ILE A 36 -9.101 -4.072 -5.715 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.621 -2.950 -4.612 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.958 -3.026 -3.237 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.540 -4.164 -2.215 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -10.435 -5.114 -3.188 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -10.334 -1.793 -1.483 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -10.275 -0.873 -3.005 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.725 -1.820 -2.593 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -10.058 -5.538 -0.769 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.621 -4.772 -1.487 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.743 -3.807 -0.498 1.00 9.49 H new ATOM 582 N PRO A 37 -10.869 -0.580 -5.781 1.00 8.65 N ATOM 583 CA PRO A 37 -10.367 0.632 -6.412 1.00 9.18 C ATOM 584 C PRO A 37 -9.269 1.373 -5.701 1.00 9.85 C ATOM 585 O PRO A 37 -9.268 1.344 -4.431 1.00 8.51 O ATOM 586 CB PRO A 37 -11.546 1.539 -6.480 1.00 11.42 C ATOM 587 CG PRO A 37 -12.737 0.581 -6.491 1.00 9.27 C ATOM 588 CD PRO A 37 -12.298 -0.637 -5.741 1.00 8.33 C ATOM 0 HA PRO A 37 -9.919 0.335 -7.360 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.582 2.214 -5.625 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.523 2.160 -7.375 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.608 1.036 -6.019 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -13.024 0.328 -7.512 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.668 -0.628 -4.716 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.673 -1.548 -6.207 1.00 8.33 H new ATOM 596 N PRO A 38 -8.302 2.055 -6.316 1.00 8.71 N ATOM 597 CA PRO A 38 -7.373 2.861 -5.537 1.00 9.08 C ATOM 598 C PRO A 38 -8.051 3.934 -4.601 1.00 9.28 C ATOM 599 O PRO A 38 -7.423 4.203 -3.547 1.00 6.50 O ATOM 600 CB PRO A 38 -6.398 3.432 -6.631 1.00 10.31 C ATOM 601 CG PRO A 38 -6.620 2.667 -7.901 1.00 10.81 C ATOM 602 CD PRO A 38 -7.881 1.898 -7.665 1.00 12.00 C ATOM 0 HA PRO A 38 -6.842 2.281 -4.782 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.585 4.494 -6.789 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.362 3.335 -6.305 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -6.719 3.337 -8.755 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.784 2.001 -8.114 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.661 2.247 -8.341 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.719 0.842 -7.883 1.00 12.00 H new ATOM 610 N ASP A 39 -9.287 4.460 -4.880 1.00 11.20 N ATOM 611 CA ASP A 39 -9.883 5.505 -4.069 1.00 14.96 C ATOM 612 C ASP A 39 -10.713 4.951 -2.863 1.00 13.99 C ATOM 613 O ASP A 39 -11.063 5.720 -1.992 1.00 13.75 O ATOM 614 CB ASP A 39 -10.700 6.528 -4.926 1.00 24.16 C ATOM 615 CG ASP A 39 -9.769 6.996 -5.979 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.693 7.618 -5.603 1.00 34.22 O ATOM 617 OD2 ASP A 39 -10.173 6.902 -7.196 1.00 35.55 O ATOM 0 H ASP A 39 -9.866 4.159 -5.664 1.00 11.20 H new ATOM 0 HA ASP A 39 -9.048 6.052 -3.631 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -11.582 6.058 -5.362 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -11.051 7.360 -4.315 1.00 24.16 H new ATOM 622 N GLN A 40 -10.828 3.649 -2.760 1.00 11.60 N ATOM 623 CA GLN A 40 -11.359 2.849 -1.698 1.00 10.76 C ATOM 624 C GLN A 40 -10.156 2.342 -0.939 1.00 8.01 C ATOM 625 O GLN A 40 -10.231 1.631 0.020 1.00 8.96 O ATOM 626 CB GLN A 40 -12.174 1.607 -2.144 1.00 11.14 C ATOM 627 CG GLN A 40 -13.536 2.064 -2.733 1.00 14.85 C ATOM 628 CD GLN A 40 -14.383 0.819 -2.989 1.00 16.11 C ATOM 629 OE1 GLN A 40 -14.042 -0.344 -2.651 1.00 20.52 O ATOM 630 NE2 GLN A 40 -15.568 1.011 -3.577 1.00 18.16 N ATOM 0 H GLN A 40 -10.507 3.055 -3.524 1.00 11.60 H new ATOM 0 HA GLN A 40 -12.051 3.471 -1.131 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.615 1.041 -2.889 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -12.337 0.942 -1.296 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -14.045 2.735 -2.040 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.384 2.618 -3.659 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -15.853 1.950 -3.855 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -16.187 0.218 -3.748 1.00 18.16 H new ATOM 639 N GLN A 41 -8.917 2.701 -1.299 1.00 6.52 N ATOM 640 CA GLN A 41 -7.758 2.274 -0.573 1.00 3.87 C ATOM 641 C GLN A 41 -7.132 3.494 0.097 1.00 4.79 C ATOM 642 O GLN A 41 -7.394 4.635 -0.309 1.00 6.34 O ATOM 643 CB GLN A 41 -6.706 1.631 -1.513 1.00 4.20 C ATOM 644 CG GLN A 41 -7.116 0.286 -2.076 1.00 3.20 C ATOM 645 CD GLN A 41 -5.993 -0.246 -2.943 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.858 -0.250 -2.561 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.306 -0.689 -4.182 1.00 7.13 N ATOM 0 H GLN A 41 -8.711 3.295 -2.103 1.00 6.52 H new ATOM 0 HA GLN A 41 -8.063 1.529 0.162 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.509 2.313 -2.340 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.770 1.514 -0.966 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.330 -0.412 -1.267 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -8.030 0.385 -2.662 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.276 -0.681 -4.497 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.572 -1.031 -4.802 1.00 7.13 H new ATOM 656 N ARG A 42 -6.365 3.215 1.184 1.00 5.73 N ATOM 657 CA ARG A 42 -5.645 4.165 1.991 1.00 6.97 C ATOM 658 C ARG A 42 -4.475 3.327 2.597 1.00 7.15 C ATOM 659 O ARG A 42 -4.715 2.180 3.015 1.00 7.33 O ATOM 660 CB ARG A 42 -6.496 4.769 3.070 1.00 13.23 C ATOM 661 CG ARG A 42 -5.778 5.732 4.047 1.00 21.27 C ATOM 662 CD ARG A 42 -6.618 6.438 5.112 1.00 26.14 C ATOM 663 NE ARG A 42 -7.378 7.518 4.411 1.00 32.26 N ATOM 664 CZ ARG A 42 -8.693 7.603 4.502 1.00 34.32 C ATOM 665 NH1 ARG A 42 -9.485 6.844 5.199 1.00 35.30 N ATOM 666 NH2 ARG A 42 -9.276 8.620 3.831 1.00 36.39 N ATOM 0 H ARG A 42 -6.243 2.259 1.517 1.00 5.73 H new ATOM 0 HA ARG A 42 -5.304 5.018 1.404 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -7.316 5.309 2.597 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -6.939 3.960 3.650 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -4.998 5.168 4.558 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -5.280 6.499 3.453 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.298 5.737 5.596 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -5.982 6.856 5.893 1.00 26.14 H new ATOM 0 HE ARG A 42 -6.871 8.203 3.851 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -9.100 6.082 5.757 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -10.491 7.011 5.188 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -8.704 9.270 3.292 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -10.289 8.738 3.863 1.00 36.39 H new ATOM 680 N LEU A 43 -3.203 3.778 2.568 1.00 4.65 N ATOM 681 CA LEU A 43 -2.073 2.918 2.873 1.00 3.51 C ATOM 682 C LEU A 43 -1.382 3.565 4.030 1.00 5.56 C ATOM 683 O LEU A 43 -1.035 4.736 3.999 1.00 4.19 O ATOM 684 CB LEU A 43 -1.150 2.726 1.713 1.00 3.74 C ATOM 685 CG LEU A 43 -1.735 1.669 0.715 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.837 1.795 -0.486 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.713 0.214 1.235 1.00 6.41 C ATOM 0 H LEU A 43 -2.947 4.737 2.334 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.412 1.910 3.111 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -1.000 3.676 1.199 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.173 2.398 2.068 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.791 1.866 0.527 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.158 1.093 -1.256 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.892 2.811 -0.876 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.190 1.572 -0.197 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.136 -0.449 0.480 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.685 -0.083 1.443 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.302 0.145 2.149 1.00 6.41 H new ATOM 699 N ILE A 44 -1.006 2.760 5.023 1.00 4.58 N ATOM 700 CA ILE A 44 -0.322 3.234 6.229 1.00 5.55 C ATOM 701 C ILE A 44 0.964 2.420 6.519 1.00 5.46 C ATOM 702 O ILE A 44 0.850 1.184 6.493 1.00 6.04 O ATOM 703 CB ILE A 44 -1.231 3.159 7.514 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.603 3.972 7.431 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.455 3.537 8.794 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.493 5.437 7.148 1.00 13.90 C ATOM 0 H ILE A 44 -1.168 1.753 5.015 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.074 4.275 6.021 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.520 2.109 7.564 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -3.221 3.520 6.656 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.133 3.845 8.375 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.120 3.472 9.655 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.381 2.851 8.928 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.078 4.556 8.703 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.490 5.877 7.116 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -1.909 5.917 7.934 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.000 5.586 6.188 1.00 13.90 H new ATOM 718 N PHE A 45 2.163 2.999 6.779 1.00 6.75 N ATOM 719 CA PHE A 45 3.249 2.307 7.378 1.00 4.70 C ATOM 720 C PHE A 45 3.902 3.256 8.452 1.00 6.34 C ATOM 721 O PHE A 45 4.086 4.433 8.154 1.00 5.45 O ATOM 722 CB PHE A 45 4.207 1.916 6.253 1.00 5.51 C ATOM 723 CG PHE A 45 5.601 1.467 6.649 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.764 0.314 7.490 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.707 2.179 6.226 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.059 -0.129 7.800 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.968 1.822 6.591 1.00 6.64 C ATOM 728 CZ PHE A 45 8.168 0.663 7.443 1.00 6.84 C ATOM 0 H PHE A 45 2.369 3.974 6.562 1.00 6.75 H new ATOM 0 HA PHE A 45 2.947 1.397 7.897 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.744 1.112 5.680 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.306 2.770 5.582 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.901 -0.206 7.879 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.567 3.040 5.590 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.204 -1.071 8.309 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.816 2.397 6.249 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.156 0.411 7.799 1.00 6.84 H new ATOM 738 N ALA A 46 4.162 2.744 9.644 1.00 6.53 N ATOM 739 CA ALA A 46 4.832 3.395 10.701 1.00 7.15 C ATOM 740 C ALA A 46 3.955 4.454 11.366 1.00 9.00 C ATOM 741 O ALA A 46 4.443 5.481 11.817 1.00 11.15 O ATOM 742 CB ALA A 46 6.213 4.043 10.240 1.00 8.99 C ATOM 0 H ALA A 46 3.881 1.795 9.891 1.00 6.53 H new ATOM 0 HA ALA A 46 5.054 2.619 11.434 1.00 7.15 H new ATOM 0 HB1 ALA A 46 6.688 4.531 11.091 1.00 8.99 H new ATOM 0 HB2 ALA A 46 6.870 3.263 9.856 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.027 4.778 9.457 1.00 8.99 H new ATOM 748 N GLY A 47 2.635 4.173 11.365 1.00 9.35 N ATOM 749 CA GLY A 47 1.611 5.087 11.861 1.00 11.68 C ATOM 750 C GLY A 47 1.250 6.217 10.911 1.00 11.14 C ATOM 751 O GLY A 47 0.367 6.976 11.172 1.00 13.93 O ATOM 0 H GLY A 47 2.257 3.293 11.014 1.00 9.35 H new ATOM 0 HA2 GLY A 47 0.710 4.515 12.082 1.00 11.68 H new ATOM 0 HA3 GLY A 47 1.954 5.518 12.802 1.00 11.68 H new ATOM 755 N LYS A 48 1.938 6.294 9.694 1.00 10.47 N ATOM 756 CA LYS A 48 1.874 7.378 8.753 1.00 8.82 C ATOM 757 C LYS A 48 1.270 6.937 7.433 1.00 7.68 C ATOM 758 O LYS A 48 1.434 5.783 7.086 1.00 6.47 O ATOM 759 CB LYS A 48 3.245 8.026 8.500 1.00 9.74 C ATOM 760 CG LYS A 48 3.911 8.574 9.751 1.00 14.14 C ATOM 761 CD LYS A 48 5.233 9.240 9.634 1.00 16.32 C ATOM 762 CE LYS A 48 6.366 8.197 9.538 1.00 20.04 C ATOM 763 NZ LYS A 48 7.638 8.949 9.257 1.00 23.92 N ATOM 0 H LYS A 48 2.560 5.548 9.383 1.00 10.47 H new ATOM 0 HA LYS A 48 1.227 8.127 9.209 1.00 8.82 H new ATOM 0 HB2 LYS A 48 3.905 7.289 8.043 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.125 8.836 7.780 1.00 9.74 H new ATOM 0 HG2 LYS A 48 3.223 9.288 10.204 1.00 14.14 H new ATOM 0 HG3 LYS A 48 4.021 7.748 10.453 1.00 14.14 H new ATOM 0 HD2 LYS A 48 5.246 9.880 8.752 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.398 9.884 10.497 1.00 16.32 H new ATOM 0 HE2 LYS A 48 6.450 7.633 10.467 1.00 20.04 H new ATOM 0 HE3 LYS A 48 6.161 7.478 8.745 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 8.429 8.278 9.185 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 7.543 9.470 8.362 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 7.823 9.620 10.030 1.00 23.92 H new ATOM 777 N GLN A 49 0.357 7.770 6.845 1.00 8.89 N ATOM 778 CA GLN A 49 -0.045 7.631 5.494 1.00 7.18 C ATOM 779 C GLN A 49 1.047 7.855 4.437 1.00 8.23 C ATOM 780 O GLN A 49 1.929 8.600 4.659 1.00 9.70 O ATOM 781 CB GLN A 49 -1.272 8.541 5.240 1.00 11.67 C ATOM 782 CG GLN A 49 -2.307 8.006 4.253 1.00 15.82 C ATOM 783 CD GLN A 49 -3.459 8.974 4.096 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.438 8.852 4.813 1.00 23.23 O ATOM 785 NE2 GLN A 49 -3.517 9.883 3.078 1.00 20.67 N ATOM 0 H GLN A 49 -0.095 8.543 7.334 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.301 6.579 5.365 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.768 8.724 6.193 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -0.916 9.505 4.876 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -1.837 7.835 3.285 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.682 7.043 4.600 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -2.715 10.009 2.460 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.362 10.436 2.935 1.00 20.67 H new ATOM 794 N LEU A 50 0.974 7.145 3.290 1.00 6.51 N ATOM 795 CA LEU A 50 1.953 7.114 2.223 1.00 7.41 C ATOM 796 C LEU A 50 1.403 7.825 0.965 1.00 8.27 C ATOM 797 O LEU A 50 0.405 7.462 0.365 1.00 8.34 O ATOM 798 CB LEU A 50 2.379 5.627 1.942 1.00 7.13 C ATOM 799 CG LEU A 50 2.802 4.765 3.167 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.063 3.313 2.726 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.916 5.311 3.983 1.00 9.11 C ATOM 0 H LEU A 50 0.173 6.546 3.089 1.00 6.51 H new ATOM 0 HA LEU A 50 2.847 7.660 2.524 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.548 5.125 1.447 1.00 7.13 H new ATOM 0 HB3 LEU A 50 3.209 5.641 1.236 1.00 7.13 H new ATOM 0 HG LEU A 50 1.955 4.793 3.852 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.358 2.718 3.590 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.155 2.896 2.291 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.861 3.296 1.984 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.129 4.632 4.809 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.805 5.416 3.361 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.633 6.286 4.379 1.00 9.11 H new ATOM 813 N GLU A 51 2.060 8.908 0.488 1.00 9.43 N ATOM 814 CA GLU A 51 1.745 9.705 -0.665 1.00 11.90 C ATOM 815 C GLU A 51 2.002 9.017 -1.995 1.00 11.49 C ATOM 816 O GLU A 51 3.092 8.625 -2.421 1.00 9.88 O ATOM 817 CB GLU A 51 2.460 11.082 -0.523 1.00 16.56 C ATOM 818 CG GLU A 51 2.092 12.097 -1.676 1.00 26.06 C ATOM 819 CD GLU A 51 2.934 13.364 -1.573 1.00 29.86 C ATOM 820 OE1 GLU A 51 2.715 14.136 -0.627 1.00 33.44 O ATOM 821 OE2 GLU A 51 3.935 13.499 -2.366 1.00 32.13 O ATOM 0 H GLU A 51 2.894 9.256 0.960 1.00 9.43 H new ATOM 0 HA GLU A 51 0.667 9.863 -0.688 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.197 11.523 0.438 1.00 16.56 H new ATOM 0 HB3 GLU A 51 3.539 10.925 -0.517 1.00 16.56 H new ATOM 0 HG2 GLU A 51 2.253 11.626 -2.646 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.034 12.353 -1.617 1.00 26.06 H new ATOM 828 N ASP A 52 0.909 8.959 -2.809 1.00 12.71 N ATOM 829 CA ASP A 52 0.711 8.065 -3.982 1.00 16.56 C ATOM 830 C ASP A 52 1.846 8.090 -5.058 1.00 15.83 C ATOM 831 O ASP A 52 2.279 7.025 -5.455 1.00 17.21 O ATOM 832 CB ASP A 52 -0.637 8.493 -4.666 1.00 21.05 C ATOM 833 CG ASP A 52 -1.746 8.146 -3.657 1.00 25.12 C ATOM 834 OD1 ASP A 52 -1.762 6.941 -3.246 1.00 28.37 O ATOM 835 OD2 ASP A 52 -2.550 9.040 -3.300 1.00 25.82 O ATOM 0 H ASP A 52 0.104 9.566 -2.655 1.00 12.71 H new ATOM 0 HA ASP A 52 0.710 7.045 -3.598 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.638 9.558 -4.897 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.784 7.963 -5.607 1.00 21.05 H new ATOM 840 N GLY A 53 2.398 9.285 -5.456 1.00 15.00 N ATOM 841 CA GLY A 53 3.458 9.426 -6.423 1.00 11.77 C ATOM 842 C GLY A 53 4.815 9.056 -5.951 1.00 11.10 C ATOM 843 O GLY A 53 5.745 8.972 -6.734 1.00 11.25 O ATOM 0 H GLY A 53 2.084 10.180 -5.081 1.00 15.00 H new ATOM 0 HA2 GLY A 53 3.216 8.813 -7.291 1.00 11.77 H new ATOM 0 HA3 GLY A 53 3.481 10.462 -6.761 1.00 11.77 H new ATOM 847 N ARG A 54 5.022 8.950 -4.601 1.00 8.53 N ATOM 848 CA ARG A 54 6.399 8.742 -4.035 1.00 9.05 C ATOM 849 C ARG A 54 6.781 7.276 -4.028 1.00 8.96 C ATOM 850 O ARG A 54 5.970 6.418 -4.189 1.00 11.60 O ATOM 851 CB ARG A 54 6.447 9.260 -2.567 1.00 7.97 C ATOM 852 CG ARG A 54 6.016 10.695 -2.315 1.00 9.62 C ATOM 853 CD ARG A 54 6.573 11.297 -1.029 1.00 12.20 C ATOM 854 NE ARG A 54 5.898 12.637 -0.740 1.00 18.23 N ATOM 855 CZ ARG A 54 6.002 13.402 0.342 1.00 22.08 C ATOM 856 NH1 ARG A 54 6.742 12.964 1.373 1.00 25.50 N ATOM 857 NH2 ARG A 54 5.396 14.601 0.378 1.00 23.38 N ATOM 0 H ARG A 54 4.280 9.003 -3.903 1.00 8.53 H new ATOM 0 HA ARG A 54 7.098 9.291 -4.666 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.819 8.609 -1.960 1.00 7.97 H new ATOM 0 HB3 ARG A 54 7.468 9.147 -2.204 1.00 7.97 H new ATOM 0 HG2 ARG A 54 6.331 11.311 -3.158 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.927 10.735 -2.280 1.00 9.62 H new ATOM 0 HD2 ARG A 54 6.409 10.612 -0.197 1.00 12.20 H new ATOM 0 HD3 ARG A 54 7.650 11.436 -1.120 1.00 12.20 H new ATOM 0 HE ARG A 54 5.286 12.992 -1.475 1.00 18.23 H new ATOM 0 HH11 ARG A 54 7.211 12.060 1.316 1.00 25.50 H new ATOM 0 HH12 ARG A 54 6.835 13.535 2.213 1.00 25.50 H new ATOM 0 HH21 ARG A 54 4.856 14.924 -0.425 1.00 23.38 H new ATOM 0 HH22 ARG A 54 5.476 15.188 1.208 1.00 23.38 H new ATOM 871 N THR A 55 8.087 6.978 -3.935 1.00 9.05 N ATOM 872 CA THR A 55 8.525 5.601 -4.096 1.00 9.03 C ATOM 873 C THR A 55 8.699 4.809 -2.751 1.00 8.15 C ATOM 874 O THR A 55 8.688 5.356 -1.685 1.00 5.91 O ATOM 875 CB THR A 55 9.816 5.406 -4.972 1.00 11.15 C ATOM 876 OG1 THR A 55 10.907 6.225 -4.488 1.00 11.95 O ATOM 877 CG2 THR A 55 9.526 5.793 -6.456 1.00 11.71 C ATOM 0 H THR A 55 8.829 7.654 -3.755 1.00 9.05 H new ATOM 0 HA THR A 55 7.684 5.176 -4.643 1.00 9.03 H new ATOM 0 HB THR A 55 10.100 4.356 -4.906 1.00 11.15 H new ATOM 0 HG1 THR A 55 11.637 5.648 -4.180 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.428 5.653 -7.051 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.731 5.159 -6.848 1.00 11.71 H new ATOM 0 HG23 THR A 55 9.216 6.837 -6.506 1.00 11.71 H new ATOM 885 N LEU A 56 8.845 3.494 -2.913 1.00 6.91 N ATOM 886 CA LEU A 56 9.100 2.545 -1.780 1.00 8.29 C ATOM 887 C LEU A 56 10.363 2.992 -0.951 1.00 8.05 C ATOM 888 O LEU A 56 10.308 3.050 0.255 1.00 10.17 O ATOM 889 CB LEU A 56 9.131 1.073 -2.283 1.00 6.60 C ATOM 890 CG LEU A 56 7.800 0.633 -2.779 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.891 -0.728 -3.417 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.746 0.459 -1.587 1.00 8.64 C ATOM 0 H LEU A 56 8.793 3.037 -3.823 1.00 6.91 H new ATOM 0 HA LEU A 56 8.269 2.583 -1.075 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.867 0.977 -3.081 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.452 0.418 -1.473 1.00 6.60 H new ATOM 0 HG LEU A 56 7.481 1.403 -3.482 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.906 -1.030 -3.773 1.00 9.85 H new ATOM 0 HD12 LEU A 56 8.584 -0.690 -4.257 1.00 9.85 H new ATOM 0 HD13 LEU A 56 8.249 -1.450 -2.684 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.787 0.137 -1.993 1.00 8.64 H new ATOM 0 HD22 LEU A 56 7.112 -0.289 -0.884 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.620 1.411 -1.071 1.00 8.64 H new ATOM 904 N SER A 57 11.402 3.308 -1.678 1.00 8.92 N ATOM 905 CA SER A 57 12.631 3.877 -1.116 1.00 9.00 C ATOM 906 C SER A 57 12.512 5.201 -0.410 1.00 9.44 C ATOM 907 O SER A 57 13.047 5.445 0.702 1.00 10.91 O ATOM 908 CB SER A 57 13.829 3.937 -2.186 1.00 10.32 C ATOM 909 OG SER A 57 13.590 4.858 -3.296 1.00 13.59 O ATOM 0 H SER A 57 11.434 3.182 -2.690 1.00 8.92 H new ATOM 0 HA SER A 57 12.864 3.159 -0.329 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.745 4.231 -1.674 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.995 2.937 -2.587 1.00 10.32 H new ATOM 0 HG SER A 57 14.358 4.844 -3.904 1.00 13.59 H new ATOM 915 N ASP A 58 11.665 6.119 -0.856 1.00 9.11 N ATOM 916 CA ASP A 58 11.306 7.372 -0.147 1.00 7.91 C ATOM 917 C ASP A 58 10.754 7.159 1.187 1.00 9.12 C ATOM 918 O ASP A 58 10.855 7.958 2.116 1.00 8.61 O ATOM 919 CB ASP A 58 10.316 8.322 -0.911 1.00 8.41 C ATOM 920 CG ASP A 58 10.716 8.763 -2.300 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.873 9.187 -2.457 1.00 11.70 O ATOM 922 OD2 ASP A 58 9.937 8.837 -3.286 1.00 10.05 O ATOM 0 H ASP A 58 11.185 6.023 -1.751 1.00 9.11 H new ATOM 0 HA ASP A 58 12.278 7.861 -0.083 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.351 7.819 -0.981 1.00 8.41 H new ATOM 0 HB3 ASP A 58 10.167 9.214 -0.303 1.00 8.41 H new ATOM 927 N TYR A 59 9.929 6.119 1.344 1.00 7.97 N ATOM 928 CA TYR A 59 9.128 5.939 2.591 1.00 8.45 C ATOM 929 C TYR A 59 9.825 4.889 3.459 1.00 10.98 C ATOM 930 O TYR A 59 9.305 4.546 4.508 1.00 12.95 O ATOM 931 CB TYR A 59 7.679 5.565 2.261 1.00 7.94 C ATOM 932 CG TYR A 59 6.835 6.796 2.171 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.545 7.539 3.276 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.186 7.143 0.896 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.881 8.798 3.120 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.336 8.252 0.812 1.00 6.52 C ATOM 937 CZ TYR A 59 5.242 9.113 1.924 1.00 6.76 C ATOM 938 OH TYR A 59 4.289 10.132 1.945 1.00 7.63 O ATOM 0 H TYR A 59 9.789 5.391 0.643 1.00 7.97 H new ATOM 0 HA TYR A 59 9.074 6.874 3.149 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.642 5.020 1.317 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.284 4.900 3.029 1.00 7.94 H new ATOM 0 HD1 TYR A 59 6.813 7.182 4.259 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.367 6.538 0.020 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.876 9.507 3.935 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.765 8.444 -0.085 1.00 6.52 H new ATOM 0 HH TYR A 59 4.522 10.783 2.639 1.00 7.63 H new ATOM 948 N ASN A 60 11.024 4.380 3.018 1.00 12.38 N ATOM 949 CA ASN A 60 11.821 3.544 3.891 1.00 13.94 C ATOM 950 C ASN A 60 11.325 2.049 3.934 1.00 14.16 C ATOM 951 O ASN A 60 11.373 1.372 4.951 1.00 14.26 O ATOM 952 CB ASN A 60 12.120 4.136 5.283 1.00 19.23 C ATOM 953 CG ASN A 60 12.797 5.502 5.121 1.00 22.65 C ATOM 954 OD1 ASN A 60 12.373 6.518 5.609 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.037 5.423 4.512 1.00 24.09 N ATOM 0 H ASN A 60 11.421 4.544 2.093 1.00 12.38 H new ATOM 0 HA ASN A 60 12.801 3.526 3.414 1.00 13.94 H new ATOM 0 HB2 ASN A 60 11.196 4.241 5.852 1.00 19.23 H new ATOM 0 HB3 ASN A 60 12.766 3.462 5.846 1.00 19.23 H new ATOM 0 HD21 ASN A 60 14.635 6.248 4.463 1.00 24.09 H new ATOM 0 HD22 ASN A 60 14.354 4.540 4.112 1.00 24.09 H new ATOM 962 N ILE A 61 10.768 1.582 2.794 1.00 11.08 N ATOM 963 CA ILE A 61 10.196 0.265 2.709 1.00 11.78 C ATOM 964 C ILE A 61 11.233 -0.699 2.083 1.00 13.74 C ATOM 965 O ILE A 61 11.977 -0.388 1.165 1.00 14.60 O ATOM 966 CB ILE A 61 8.909 0.337 1.963 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.975 1.362 2.699 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.289 -1.050 1.827 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.687 1.731 1.911 1.00 11.42 C ATOM 0 H ILE A 61 10.714 2.119 1.928 1.00 11.08 H new ATOM 0 HA ILE A 61 9.959 -0.133 3.696 1.00 11.78 H new ATOM 0 HB ILE A 61 9.068 0.690 0.944 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.690 0.947 3.666 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.539 2.273 2.897 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.350 -0.976 1.279 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.974 -1.703 1.287 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.100 -1.463 2.818 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.098 2.443 2.489 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.961 2.178 0.955 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.098 0.831 1.735 1.00 11.42 H new ATOM 981 N GLN A 62 11.334 -1.925 2.593 1.00 13.97 N ATOM 982 CA GLN A 62 12.430 -2.840 2.418 1.00 15.52 C ATOM 983 C GLN A 62 11.929 -4.250 2.447 1.00 13.94 C ATOM 984 O GLN A 62 10.765 -4.487 2.670 1.00 12.15 O ATOM 985 CB GLN A 62 13.469 -2.738 3.553 1.00 19.53 C ATOM 986 CG GLN A 62 14.225 -1.449 3.576 1.00 26.38 C ATOM 987 CD GLN A 62 15.458 -1.652 4.545 1.00 30.61 C ATOM 988 OE1 GLN A 62 16.593 -1.907 4.217 1.00 33.23 O ATOM 989 NE2 GLN A 62 15.165 -1.448 5.872 1.00 32.71 N ATOM 0 H GLN A 62 10.596 -2.319 3.176 1.00 13.97 H new ATOM 0 HA GLN A 62 12.890 -2.579 1.465 1.00 15.52 H new ATOM 0 HB2 GLN A 62 12.961 -2.865 4.509 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.178 -3.561 3.457 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.562 -1.182 2.574 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.589 -0.636 3.926 1.00 26.38 H new ATOM 0 HE21 GLN A 62 14.209 -1.232 6.156 1.00 32.71 H new ATOM 0 HE22 GLN A 62 15.903 -1.512 6.573 1.00 32.71 H new ATOM 998 N LYS A 63 12.841 -5.175 2.033 1.00 11.73 N ATOM 999 CA LYS A 63 12.542 -6.613 1.825 1.00 11.97 C ATOM 1000 C LYS A 63 11.810 -7.322 2.981 1.00 10.41 C ATOM 1001 O LYS A 63 12.245 -7.294 4.129 1.00 9.59 O ATOM 1002 CB LYS A 63 13.853 -7.492 1.593 1.00 13.73 C ATOM 1003 CG LYS A 63 13.482 -8.933 1.066 1.00 16.98 C ATOM 1004 CD LYS A 63 14.780 -9.730 0.992 1.00 20.19 C ATOM 1005 CE LYS A 63 14.778 -10.654 -0.207 1.00 23.42 C ATOM 1006 NZ LYS A 63 16.112 -11.212 -0.316 1.00 25.97 N ATOM 0 H LYS A 63 13.812 -4.936 1.834 1.00 11.73 H new ATOM 0 HA LYS A 63 11.897 -6.564 0.948 1.00 11.97 H new ATOM 0 HB2 LYS A 63 14.506 -6.995 0.875 1.00 13.73 H new ATOM 0 HB3 LYS A 63 14.410 -7.574 2.526 1.00 13.73 H new ATOM 0 HG2 LYS A 63 12.770 -9.417 1.735 1.00 16.98 H new ATOM 0 HG3 LYS A 63 13.009 -8.875 0.086 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.628 -9.048 0.929 1.00 20.19 H new ATOM 0 HD3 LYS A 63 14.907 -10.312 1.905 1.00 20.19 H new ATOM 0 HE2 LYS A 63 14.038 -11.445 -0.083 1.00 23.42 H new ATOM 0 HE3 LYS A 63 14.513 -10.109 -1.113 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 16.153 -11.856 -1.132 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 16.800 -10.443 -0.446 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 16.340 -11.738 0.552 1.00 25.97 H new ATOM 1020 N GLU A 64 10.539 -7.772 2.672 1.00 10.04 N ATOM 1021 CA GLU A 64 9.775 -8.509 3.593 1.00 10.94 C ATOM 1022 C GLU A 64 9.271 -7.773 4.843 1.00 9.74 C ATOM 1023 O GLU A 64 8.732 -8.299 5.840 1.00 9.42 O ATOM 1024 CB GLU A 64 10.403 -9.861 3.989 1.00 18.31 C ATOM 1025 CG GLU A 64 10.366 -10.954 2.888 1.00 24.16 C ATOM 1026 CD GLU A 64 11.023 -12.213 3.337 1.00 29.00 C ATOM 1027 OE1 GLU A 64 10.285 -12.947 4.047 1.00 32.61 O ATOM 1028 OE2 GLU A 64 12.089 -12.654 2.880 1.00 31.72 O ATOM 0 H GLU A 64 10.077 -7.606 1.778 1.00 10.04 H new ATOM 0 HA GLU A 64 8.881 -8.692 2.997 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.441 -9.691 4.275 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.886 -10.239 4.871 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.331 -11.161 2.616 1.00 24.16 H new ATOM 0 HG3 GLU A 64 10.863 -10.584 1.991 1.00 24.16 H new ATOM 1035 N SER A 65 9.262 -6.404 4.751 1.00 6.85 N ATOM 1036 CA SER A 65 8.477 -5.511 5.607 1.00 6.90 C ATOM 1037 C SER A 65 6.943 -5.666 5.526 1.00 4.72 C ATOM 1038 O SER A 65 6.421 -6.142 4.519 1.00 3.91 O ATOM 1039 CB SER A 65 8.877 -4.040 5.381 1.00 7.28 C ATOM 1040 OG SER A 65 8.473 -3.252 6.455 1.00 10.56 O ATOM 0 H SER A 65 9.818 -5.901 4.059 1.00 6.85 H new ATOM 0 HA SER A 65 8.733 -5.827 6.618 1.00 6.90 H new ATOM 0 HB2 SER A 65 9.957 -3.966 5.255 1.00 7.28 H new ATOM 0 HB3 SER A 65 8.423 -3.671 4.461 1.00 7.28 H new ATOM 0 HG SER A 65 8.736 -2.322 6.295 1.00 10.56 H new ATOM 1046 N THR A 66 6.146 -5.289 6.531 1.00 4.48 N ATOM 1047 CA THR A 66 4.673 -5.325 6.465 1.00 3.80 C ATOM 1048 C THR A 66 4.083 -3.964 6.474 1.00 4.60 C ATOM 1049 O THR A 66 4.387 -3.258 7.412 1.00 5.33 O ATOM 1050 CB THR A 66 4.055 -6.038 7.644 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.583 -7.329 7.783 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.522 -6.239 7.431 1.00 3.40 C ATOM 0 H THR A 66 6.504 -4.947 7.423 1.00 4.48 H new ATOM 0 HA THR A 66 4.458 -5.851 5.535 1.00 3.80 H new ATOM 0 HB THR A 66 4.265 -5.421 8.518 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.169 -7.770 8.554 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.099 -6.755 8.293 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.040 -5.268 7.317 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.354 -6.835 6.534 1.00 3.40 H new ATOM 1060 N LEU A 67 3.240 -3.587 5.520 1.00 4.17 N ATOM 1061 CA LEU A 67 2.536 -2.279 5.455 1.00 3.85 C ATOM 1062 C LEU A 67 1.153 -2.565 6.044 1.00 3.80 C ATOM 1063 O LEU A 67 0.804 -3.735 6.171 1.00 5.54 O ATOM 1064 CB LEU A 67 2.470 -1.741 3.992 1.00 7.18 C ATOM 1065 CG LEU A 67 3.789 -1.688 3.215 1.00 9.67 C ATOM 1066 CD1 LEU A 67 3.618 -1.051 1.818 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.955 -1.100 3.971 1.00 11.66 C ATOM 0 H LEU A 67 3.009 -4.195 4.734 1.00 4.17 H new ATOM 0 HA LEU A 67 3.050 -1.494 6.009 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.771 -2.363 3.433 1.00 7.18 H new ATOM 0 HB3 LEU A 67 2.051 -0.735 4.019 1.00 7.18 H new ATOM 0 HG LEU A 67 4.060 -2.734 3.073 1.00 9.67 H new ATOM 0 HD11 LEU A 67 4.580 -1.035 1.305 1.00 8.12 H new ATOM 0 HD12 LEU A 67 2.906 -1.636 1.236 1.00 8.12 H new ATOM 0 HD13 LEU A 67 3.248 -0.032 1.926 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.841 -1.107 3.336 1.00 11.66 H new ATOM 0 HD22 LEU A 67 4.722 -0.075 4.258 1.00 11.66 H new ATOM 0 HD23 LEU A 67 5.145 -1.693 4.865 1.00 11.66 H new ATOM 1079 N HIS A 68 0.346 -1.533 6.317 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.060 -1.749 6.579 1.00 4.17 C ATOM 1081 C HIS A 68 -1.917 -1.111 5.469 1.00 5.32 C ATOM 1082 O HIS A 68 -1.562 -0.101 4.831 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.399 -1.255 7.974 1.00 5.57 C ATOM 1084 CG HIS A 68 -1.244 -2.256 9.087 1.00 9.95 C ATOM 1085 ND1 HIS A 68 -0.044 -2.491 9.808 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -2.176 -3.043 9.722 1.00 12.79 C ATOM 1087 CE1 HIS A 68 -0.335 -3.361 10.781 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -1.583 -3.748 10.755 1.00 16.30 N ATOM 0 H HIS A 68 0.647 -0.559 6.359 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.291 -2.814 6.558 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -0.768 -0.395 8.196 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.430 -0.902 7.972 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -3.220 -3.102 9.453 1.00 12.79 H new ATOM 0 HE1 HIS A 68 0.384 -3.706 11.509 1.00 14.75 H new ATOM 0 HE2 HIS A 68 -2.028 -4.429 11.370 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.118 -1.677 5.233 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.123 -1.234 4.335 1.00 3.97 C ATOM 1098 C LEU A 69 -5.356 -0.951 5.139 1.00 5.07 C ATOM 1099 O LEU A 69 -5.768 -1.801 5.969 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.387 -2.332 3.313 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.538 -2.144 2.321 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.350 -0.889 1.440 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.629 -3.366 1.387 1.00 9.96 C ATOM 0 H LEU A 69 -3.402 -2.525 5.723 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.816 -0.333 3.803 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.473 -2.476 2.737 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.568 -3.257 3.860 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.447 -2.028 2.911 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.191 -0.798 0.753 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.302 -0.003 2.074 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.425 -0.979 0.871 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.450 -3.226 0.684 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.694 -3.474 0.837 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -5.807 -4.264 1.979 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.914 0.264 4.893 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.160 0.776 5.512 1.00 6.26 C ATOM 1117 C VAL A 70 -8.192 1.015 4.310 1.00 9.22 C ATOM 1118 O VAL A 70 -7.895 1.521 3.237 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.912 2.116 6.216 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -8.184 2.718 6.788 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -5.821 1.842 7.238 1.00 8.54 C ATOM 0 H VAL A 70 -5.497 0.929 4.242 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.534 0.069 6.252 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.581 2.889 5.522 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -7.951 3.665 7.275 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -8.899 2.890 5.983 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.616 2.032 7.517 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.592 2.759 7.780 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.163 1.081 7.940 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -4.925 1.489 6.728 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.460 0.590 4.481 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.479 0.729 3.402 1.00 16.06 C ATOM 1133 C LEU A 71 -10.959 2.194 3.520 1.00 18.09 C ATOM 1134 O LEU A 71 -11.565 2.592 4.555 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.589 -0.293 3.633 1.00 17.10 C ATOM 1136 CG LEU A 71 -12.219 -0.799 2.329 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -12.961 0.314 1.576 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -11.233 -1.471 1.295 1.00 19.57 C ATOM 0 H LEU A 71 -9.806 0.155 5.336 1.00 12.71 H new ATOM 0 HA LEU A 71 -10.105 0.534 2.397 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.186 -1.140 4.188 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -12.364 0.155 4.255 1.00 17.10 H new ATOM 0 HG LEU A 71 -12.897 -1.572 2.692 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -13.391 -0.091 0.660 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -13.757 0.711 2.206 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -12.263 1.113 1.327 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -11.791 -1.789 0.414 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -10.469 -0.752 1.001 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -10.758 -2.337 1.755 1.00 19.57 H new ATOM 1150 N ARG A 72 -10.726 2.966 2.443 1.00 21.47 N ATOM 1151 CA ARG A 72 -11.193 4.342 2.408 1.00 25.83 C ATOM 1152 C ARG A 72 -12.664 4.550 2.091 1.00 27.74 C ATOM 1153 O ARG A 72 -13.066 4.037 1.077 1.00 30.65 O ATOM 1154 CB ARG A 72 -10.314 5.173 1.404 1.00 28.49 C ATOM 1155 CG ARG A 72 -10.691 6.647 1.177 1.00 31.79 C ATOM 1156 CD ARG A 72 -9.596 7.452 0.430 1.00 34.05 C ATOM 1157 NE ARG A 72 -10.029 8.863 0.273 1.00 35.08 N ATOM 1158 CZ ARG A 72 -9.340 9.729 -0.443 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -8.270 9.343 -1.167 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -9.720 10.978 -0.572 1.00 35.02 N ATOM 0 H ARG A 72 -10.227 2.659 1.608 1.00 21.47 H new ATOM 0 HA ARG A 72 -11.083 4.692 3.434 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -9.282 5.140 1.755 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -10.339 4.668 0.439 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -11.619 6.694 0.607 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -10.885 7.118 2.141 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -8.658 7.409 0.984 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -9.409 7.008 -0.548 1.00 34.05 H new ATOM 0 HE ARG A 72 -10.885 9.172 0.733 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -7.980 8.365 -1.167 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -7.750 10.029 -1.714 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -10.570 11.303 -0.111 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -9.165 11.624 -1.133 1.00 35.02 H new ATOM 1174 N LEU A 73 -13.457 5.255 2.915 1.00 28.93 N ATOM 1175 CA LEU A 73 -14.831 5.390 2.787 1.00 30.76 C ATOM 1176 C LEU A 73 -15.128 6.783 2.401 1.00 32.18 C ATOM 1177 O LEU A 73 -14.229 7.619 2.366 1.00 32.31 O ATOM 1178 CB LEU A 73 -15.511 5.010 4.125 1.00 30.53 C ATOM 1179 CG LEU A 73 -15.421 3.461 4.467 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -16.429 3.132 5.558 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -15.669 2.633 3.252 1.00 29.11 C ATOM 0 H LEU A 73 -13.087 5.758 3.722 1.00 28.93 H new ATOM 0 HA LEU A 73 -15.219 4.724 2.017 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -15.049 5.579 4.932 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -16.560 5.305 4.086 1.00 30.53 H new ATOM 0 HG LEU A 73 -14.417 3.230 4.822 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -16.372 2.070 5.797 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -16.204 3.718 6.450 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -17.434 3.372 5.210 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -15.602 1.577 3.512 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -16.664 2.848 2.862 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -14.923 2.868 2.493 1.00 29.11 H new ATOM 1193 N ARG A 74 -16.395 7.130 1.935 1.00 33.82 N ATOM 1194 CA ARG A 74 -16.748 8.433 1.389 1.00 35.33 C ATOM 1195 C ARG A 74 -16.643 9.509 2.457 1.00 36.22 C ATOM 1196 O ARG A 74 -16.203 10.643 2.265 1.00 36.70 O ATOM 1197 CB ARG A 74 -18.211 8.411 0.918 1.00 36.91 C ATOM 1198 CG ARG A 74 -18.512 7.460 -0.224 1.00 38.62 C ATOM 1199 CD ARG A 74 -17.669 7.636 -1.467 1.00 39.75 C ATOM 1200 NE ARG A 74 -18.300 6.781 -2.544 1.00 41.13 N ATOM 1201 CZ ARG A 74 -18.130 6.909 -3.869 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -17.383 7.855 -4.448 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -18.628 5.984 -4.743 1.00 41.93 N ATOM 0 H ARG A 74 -17.179 6.477 1.946 1.00 33.82 H new ATOM 0 HA ARG A 74 -16.065 8.647 0.567 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -18.844 8.146 1.765 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -18.492 9.419 0.613 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -18.386 6.439 0.136 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -19.560 7.574 -0.500 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -17.641 8.682 -1.771 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -16.639 7.329 -1.283 1.00 39.75 H new ATOM 0 HE ARG A 74 -18.917 6.031 -2.231 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -16.895 8.542 -3.874 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -17.301 7.889 -5.464 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -19.141 5.175 -4.392 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -18.486 6.102 -5.746 1.00 41.93 H new ATOM 1217 N GLY A 75 -17.024 9.172 3.724 1.00 36.31 N ATOM 1218 CA GLY A 75 -16.900 10.048 4.909 1.00 36.07 C ATOM 1219 C GLY A 75 -15.619 9.828 5.726 1.00 36.16 C ATOM 1220 O GLY A 75 -15.488 10.435 6.782 1.00 36.26 O ATOM 0 H GLY A 75 -17.433 8.264 3.945 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -16.935 11.088 4.583 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -17.762 9.888 5.557 1.00 36.07 H new ATOM 1224 N GLY A 76 -14.713 8.846 5.275 1.00 36.05 N ATOM 1225 CA GLY A 76 -13.520 8.460 6.072 1.00 36.19 C ATOM 1226 C GLY A 76 -12.340 8.179 5.175 1.00 36.20 C ATOM 1227 O GLY A 76 -11.726 9.088 4.649 1.00 0.00 O ATOM 1228 OXT GLY A 76 -12.137 6.971 4.966 1.00 0.00 O ATOM 0 H GLY A 76 -14.810 8.344 4.392 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -13.269 9.260 6.769 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -13.747 7.576 6.669 1.00 36.19 H new TER 1232 GLY A 76