USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=18 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 145:sc= 1.41 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 1.06 USER MOD Set 2.1: A 7 THR OG1 : rot 170:sc= 0.3 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 6 LYS NZ :NH3+ 160:sc= 0.145 (180deg=-0.829) USER MOD Set 3.2: A 12 THR OG1 : rot 170:sc= 0.297 USER MOD Single : A 1 MET CE :methyl -131:sc= 0 (180deg=-0.0952) USER MOD Single : A 1 MET N :NH3+ -144:sc= 2.31 (180deg=1.76) USER MOD Single : A 2 GLN : amide:sc= -0.178 X(o=-0.18,f=-0.29) USER MOD Single : A 11 LYS NZ :NH3+ -150:sc= 1.25 (180deg=1.25) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0102 USER MOD Single : A 22 THR OG1 : rot -170:sc= 0.119 USER MOD Single : A 25 ASN : amide:sc= 1.06 K(o=1.1,f=-0.4) USER MOD Single : A 27 LYS NZ :NH3+ -164:sc= 1.23 (180deg=1.06) USER MOD Single : A 29 LYS NZ :NH3+ -104:sc= 0.241 (180deg=-0.0691) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.805 X(o=-0.8,f=-0.74) USER MOD Single : A 41 GLN : amide:sc= -0.126 K(o=-0.13,f=-7.4!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.041 X(o=-0.041,f=-0.48) USER MOD Single : A 59 TYR OH : rot 30:sc= -0.126 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 66:sc= 0.75 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= 0.766 K(o=0.77,f=-2.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.408 -7.489 -4.964 1.00 9.67 N ATOM 2 CA MET A 1 11.397 -7.256 -3.458 1.00 10.38 C ATOM 3 C MET A 1 10.123 -7.733 -2.870 1.00 9.62 C ATOM 4 O MET A 1 9.084 -7.552 -3.514 1.00 9.62 O ATOM 5 CB MET A 1 11.761 -5.794 -3.157 1.00 13.77 C ATOM 6 CG MET A 1 12.324 -5.548 -1.740 1.00 16.29 C ATOM 7 SD MET A 1 12.694 -3.786 -1.454 1.00 17.17 S ATOM 8 CE MET A 1 11.090 -3.091 -1.206 1.00 16.11 C ATOM 0 H1 MET A 1 12.369 -7.745 -5.269 1.00 9.67 H new ATOM 0 H2 MET A 1 10.752 -8.261 -5.201 1.00 9.67 H new ATOM 0 H3 MET A 1 11.110 -6.620 -5.452 1.00 9.67 H new ATOM 0 HA MET A 1 12.165 -7.851 -2.964 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.496 -5.459 -3.889 1.00 13.77 H new ATOM 0 HB3 MET A 1 10.873 -5.177 -3.292 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.604 -5.893 -0.998 1.00 16.29 H new ATOM 0 HG3 MET A 1 13.231 -6.137 -1.602 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.978 -2.204 -1.829 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.330 -3.824 -1.478 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.971 -2.816 -0.158 1.00 16.11 H new ATOM 20 N GLN A 2 10.234 -8.389 -1.738 1.00 9.27 N ATOM 21 CA GLN A 2 8.967 -8.755 -1.070 1.00 9.07 C ATOM 22 C GLN A 2 8.506 -7.700 -0.140 1.00 8.72 C ATOM 23 O GLN A 2 9.264 -7.024 0.566 1.00 8.22 O ATOM 24 CB GLN A 2 9.234 -10.019 -0.307 1.00 14.46 C ATOM 25 CG GLN A 2 8.044 -10.668 0.445 1.00 17.01 C ATOM 26 CD GLN A 2 8.172 -12.201 0.599 1.00 20.10 C ATOM 27 OE1 GLN A 2 8.545 -12.664 1.669 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.771 -12.937 -0.478 1.00 19.49 N ATOM 0 H GLN A 2 11.099 -8.669 -1.277 1.00 9.27 H new ATOM 0 HA GLN A 2 8.181 -8.883 -1.814 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.632 -10.755 -1.005 1.00 14.46 H new ATOM 0 HB3 GLN A 2 10.019 -9.813 0.421 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.961 -10.217 1.434 1.00 17.01 H new ATOM 0 HG3 GLN A 2 7.121 -10.440 -0.088 1.00 17.01 H new ATOM 0 HE21 GLN A 2 7.475 -12.468 -1.334 1.00 19.49 H new ATOM 0 HE22 GLN A 2 7.768 -13.956 -0.427 1.00 19.49 H new ATOM 37 N ILE A 3 7.155 -7.566 0.014 1.00 5.87 N ATOM 38 CA ILE A 3 6.416 -6.831 1.014 1.00 5.07 C ATOM 39 C ILE A 3 5.225 -7.622 1.514 1.00 4.01 C ATOM 40 O ILE A 3 4.875 -8.684 0.929 1.00 4.61 O ATOM 41 CB ILE A 3 5.903 -5.426 0.630 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.160 -5.431 -0.712 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.087 -4.386 0.678 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.470 -4.075 -1.080 1.00 10.83 C ATOM 0 H ILE A 3 6.520 -8.026 -0.638 1.00 5.87 H new ATOM 0 HA ILE A 3 7.177 -6.679 1.780 1.00 5.07 H new ATOM 0 HB ILE A 3 5.163 -5.113 1.366 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.865 -5.691 -1.502 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.403 -6.215 -0.690 1.00 4.72 H new ATOM 0 HG21 ILE A 3 6.715 -3.398 0.406 1.00 5.58 H new ATOM 0 HG22 ILE A 3 7.501 -4.353 1.686 1.00 5.58 H new ATOM 0 HG23 ILE A 3 7.864 -4.687 -0.024 1.00 5.58 H new ATOM 0 HD11 ILE A 3 3.970 -4.171 -2.044 1.00 10.83 H new ATOM 0 HD12 ILE A 3 3.737 -3.820 -0.314 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.222 -3.288 -1.139 1.00 10.83 H new ATOM 56 N PHE A 4 4.646 -7.108 2.619 1.00 4.55 N ATOM 57 CA PHE A 4 3.480 -7.727 3.213 1.00 4.68 C ATOM 58 C PHE A 4 2.459 -6.621 3.294 1.00 5.30 C ATOM 59 O PHE A 4 2.780 -5.470 3.588 1.00 5.58 O ATOM 60 CB PHE A 4 3.732 -8.306 4.595 1.00 4.83 C ATOM 61 CG PHE A 4 4.730 -9.454 4.629 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.749 -10.391 3.606 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.676 -9.529 5.666 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.705 -11.433 3.632 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.582 -10.640 5.685 1.00 10.61 C ATOM 66 CZ PHE A 4 6.658 -11.505 4.604 1.00 8.90 C ATOM 0 H PHE A 4 4.976 -6.273 3.102 1.00 4.55 H new ATOM 0 HA PHE A 4 3.160 -8.577 2.611 1.00 4.68 H new ATOM 0 HB2 PHE A 4 4.091 -7.510 5.248 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.785 -8.653 5.007 1.00 4.83 H new ATOM 0 HD1 PHE A 4 4.039 -10.325 2.795 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.719 -8.767 6.431 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.679 -12.190 2.863 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.210 -10.804 6.548 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.460 -12.225 4.533 1.00 8.90 H new ATOM 76 N VAL A 5 1.175 -6.945 3.004 1.00 4.44 N ATOM 77 CA VAL A 5 0.091 -6.007 3.104 1.00 3.87 C ATOM 78 C VAL A 5 -0.871 -6.743 4.006 1.00 4.93 C ATOM 79 O VAL A 5 -1.191 -7.947 3.849 1.00 6.84 O ATOM 80 CB VAL A 5 -0.484 -5.761 1.734 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.737 -4.919 1.862 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.491 -4.913 0.895 1.00 9.13 C ATOM 0 H VAL A 5 0.888 -7.874 2.695 1.00 4.44 H new ATOM 0 HA VAL A 5 0.357 -5.023 3.489 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.677 -6.729 1.272 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.157 -4.738 0.872 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.468 -5.445 2.476 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.489 -3.966 2.330 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.066 -4.741 -0.094 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.659 -3.956 1.389 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.439 -5.441 0.795 1.00 9.13 H new ATOM 92 N LYS A 6 -1.358 -6.108 5.033 1.00 6.04 N ATOM 93 CA LYS A 6 -2.295 -6.696 5.986 1.00 6.12 C ATOM 94 C LYS A 6 -3.563 -5.961 5.824 1.00 6.57 C ATOM 95 O LYS A 6 -3.648 -4.764 5.899 1.00 5.76 O ATOM 96 CB LYS A 6 -1.873 -6.906 7.466 1.00 7.45 C ATOM 97 CG LYS A 6 -0.682 -7.853 7.619 1.00 11.12 C ATOM 98 CD LYS A 6 -0.181 -7.753 9.056 1.00 14.54 C ATOM 99 CE LYS A 6 -0.875 -8.646 10.017 1.00 18.84 C ATOM 100 NZ LYS A 6 -0.709 -10.061 9.595 1.00 20.55 N ATOM 0 H LYS A 6 -1.117 -5.141 5.249 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.369 -7.751 5.724 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.622 -5.941 7.907 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.720 -7.302 8.027 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -0.977 -8.877 7.389 1.00 11.12 H new ATOM 0 HG3 LYS A 6 0.110 -7.585 6.920 1.00 11.12 H new ATOM 0 HD2 LYS A 6 0.885 -7.982 9.072 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -0.290 -6.723 9.394 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -0.468 -8.505 11.018 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -1.934 -8.392 10.064 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -0.884 -10.688 10.406 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -1.386 -10.279 8.836 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 0.260 -10.208 9.247 1.00 20.55 H new ATOM 114 N THR A 7 -4.648 -6.709 5.690 1.00 7.41 N ATOM 115 CA THR A 7 -5.988 -6.200 5.488 1.00 7.48 C ATOM 116 C THR A 7 -6.727 -5.882 6.756 1.00 8.75 C ATOM 117 O THR A 7 -6.364 -6.289 7.842 1.00 8.58 O ATOM 118 CB THR A 7 -6.899 -7.033 4.618 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.585 -8.118 5.288 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.056 -7.571 3.477 1.00 9.17 C ATOM 0 H THR A 7 -4.613 -7.728 5.721 1.00 7.41 H new ATOM 0 HA THR A 7 -5.763 -5.281 4.946 1.00 7.48 H new ATOM 0 HB THR A 7 -7.706 -6.383 4.280 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.265 -8.493 4.691 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.678 -8.181 2.822 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.638 -6.739 2.910 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.246 -8.180 3.879 1.00 9.17 H new ATOM 128 N LEU A 8 -7.742 -5.026 6.723 1.00 9.84 N ATOM 129 CA LEU A 8 -8.531 -4.785 7.904 1.00 14.15 C ATOM 130 C LEU A 8 -9.455 -5.928 8.386 1.00 17.37 C ATOM 131 O LEU A 8 -10.047 -5.904 9.414 1.00 17.01 O ATOM 132 CB LEU A 8 -9.358 -3.491 7.799 1.00 16.63 C ATOM 133 CG LEU A 8 -8.665 -2.139 7.644 1.00 18.88 C ATOM 134 CD1 LEU A 8 -9.738 -1.033 7.256 1.00 19.31 C ATOM 135 CD2 LEU A 8 -7.880 -1.733 8.911 1.00 18.59 C ATOM 0 H LEU A 8 -8.028 -4.498 5.898 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.756 -4.698 8.665 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -10.031 -3.607 6.949 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -9.980 -3.433 8.692 1.00 16.63 H new ATOM 0 HG LEU A 8 -7.931 -2.226 6.843 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -9.243 -0.068 7.146 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -10.217 -1.305 6.315 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -10.492 -0.966 8.041 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -7.406 -0.765 8.750 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -8.564 -1.666 9.757 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -7.116 -2.481 9.121 1.00 18.59 H new ATOM 147 N THR A 9 -9.508 -6.970 7.581 1.00 18.33 N ATOM 148 CA THR A 9 -10.483 -8.062 7.811 1.00 19.24 C ATOM 149 C THR A 9 -9.704 -9.381 8.102 1.00 19.48 C ATOM 150 O THR A 9 -10.304 -10.441 7.906 1.00 23.14 O ATOM 151 CB THR A 9 -11.474 -8.292 6.684 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.802 -8.536 5.448 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.280 -6.966 6.452 1.00 19.70 C ATOM 0 H THR A 9 -8.905 -7.100 6.769 1.00 18.33 H new ATOM 0 HA THR A 9 -11.088 -7.750 8.663 1.00 19.24 H new ATOM 0 HB THR A 9 -12.100 -9.140 6.962 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.463 -8.682 4.740 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.998 -7.113 5.645 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.811 -6.698 7.365 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.592 -6.164 6.184 1.00 19.70 H new ATOM 161 N GLY A 10 -8.430 -9.289 8.614 1.00 19.43 N ATOM 162 CA GLY A 10 -7.667 -10.467 9.085 1.00 18.74 C ATOM 163 C GLY A 10 -6.834 -11.174 8.104 1.00 17.62 C ATOM 164 O GLY A 10 -6.268 -12.220 8.383 1.00 19.74 O ATOM 0 H GLY A 10 -7.925 -8.408 8.704 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -7.023 -10.145 9.903 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -8.376 -11.182 9.501 1.00 18.74 H new ATOM 168 N LYS A 11 -6.780 -10.653 6.854 1.00 13.56 N ATOM 169 CA LYS A 11 -6.054 -11.379 5.745 1.00 11.91 C ATOM 170 C LYS A 11 -4.676 -10.742 5.557 1.00 10.18 C ATOM 171 O LYS A 11 -4.530 -9.512 5.749 1.00 9.10 O ATOM 172 CB LYS A 11 -6.805 -11.339 4.414 1.00 13.43 C ATOM 173 CG LYS A 11 -6.147 -12.006 3.187 1.00 16.69 C ATOM 174 CD LYS A 11 -6.990 -12.022 1.833 1.00 17.92 C ATOM 175 CE LYS A 11 -6.515 -12.829 0.706 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.458 -12.792 -0.417 1.00 21.93 N ATOM 0 H LYS A 11 -7.207 -9.769 6.579 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.974 -12.425 6.039 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.778 -11.807 4.566 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.989 -10.294 4.166 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.202 -11.499 2.992 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -5.908 -13.037 3.449 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -7.997 -12.360 2.077 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.075 -10.992 1.487 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -5.543 -12.461 0.378 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -6.373 -13.860 1.030 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -7.403 -13.686 -0.946 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -8.424 -12.663 -0.055 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -7.216 -12.001 -1.047 1.00 21.93 H new ATOM 190 N THR A 12 -3.697 -11.607 5.207 1.00 9.63 N ATOM 191 CA THR A 12 -2.408 -11.082 4.875 1.00 9.85 C ATOM 192 C THR A 12 -2.158 -11.507 3.425 1.00 11.66 C ATOM 193 O THR A 12 -2.427 -12.659 3.002 1.00 12.33 O ATOM 194 CB THR A 12 -1.222 -11.563 5.765 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.563 -11.420 7.092 1.00 10.91 O ATOM 196 CG2 THR A 12 0.058 -10.825 5.430 1.00 9.63 C ATOM 0 H THR A 12 -3.792 -12.621 5.156 1.00 9.63 H new ATOM 0 HA THR A 12 -2.434 -10.005 5.038 1.00 9.85 H new ATOM 0 HB THR A 12 -1.030 -12.617 5.564 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.894 -11.866 7.652 1.00 10.91 H new ATOM 0 HG21 THR A 12 0.864 -11.185 6.069 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.317 -11.001 4.386 1.00 9.63 H new ATOM 0 HG23 THR A 12 -0.085 -9.757 5.593 1.00 9.63 H new ATOM 204 N ILE A 13 -1.744 -10.502 2.608 1.00 10.42 N ATOM 205 CA ILE A 13 -1.335 -10.788 1.255 1.00 11.84 C ATOM 206 C ILE A 13 0.174 -10.351 1.100 1.00 10.55 C ATOM 207 O ILE A 13 0.635 -9.258 1.418 1.00 11.92 O ATOM 208 CB ILE A 13 -2.222 -9.993 0.262 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.891 -8.782 0.890 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.264 -10.992 -0.212 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.518 -7.768 -0.090 1.00 16.46 C ATOM 0 H ILE A 13 -1.694 -9.519 2.876 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.443 -11.851 1.040 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.617 -9.586 -0.548 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -3.671 -9.133 1.566 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -2.153 -8.260 1.499 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -3.936 -10.508 -0.921 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -2.768 -11.833 -0.697 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -3.837 -11.353 0.642 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -3.965 -6.948 0.472 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -2.746 -7.376 -0.752 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.287 -8.263 -0.683 1.00 16.46 H new ATOM 223 N THR A 14 0.979 -11.278 0.500 1.00 9.39 N ATOM 224 CA THR A 14 2.398 -11.025 0.097 1.00 9.63 C ATOM 225 C THR A 14 2.468 -10.401 -1.287 1.00 11.20 C ATOM 226 O THR A 14 1.743 -10.815 -2.189 1.00 11.63 O ATOM 227 CB THR A 14 3.198 -12.299 0.028 1.00 10.38 C ATOM 228 OG1 THR A 14 2.988 -13.142 1.176 1.00 16.30 O ATOM 229 CG2 THR A 14 4.682 -12.036 -0.048 1.00 11.66 C ATOM 0 H THR A 14 0.662 -12.223 0.282 1.00 9.39 H new ATOM 0 HA THR A 14 2.807 -10.358 0.856 1.00 9.63 H new ATOM 0 HB THR A 14 2.848 -12.795 -0.877 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.525 -13.957 1.086 1.00 16.30 H new ATOM 0 HG21 THR A 14 5.218 -12.984 -0.096 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.902 -11.449 -0.940 1.00 11.66 H new ATOM 0 HG23 THR A 14 5.000 -11.484 0.837 1.00 11.66 H new ATOM 237 N LEU A 15 3.322 -9.402 -1.462 1.00 8.29 N ATOM 238 CA LEU A 15 3.402 -8.728 -2.819 1.00 9.03 C ATOM 239 C LEU A 15 4.876 -8.787 -3.190 1.00 8.59 C ATOM 240 O LEU A 15 5.800 -8.993 -2.364 1.00 7.79 O ATOM 241 CB LEU A 15 2.856 -7.272 -2.816 1.00 11.08 C ATOM 242 CG LEU A 15 1.339 -7.150 -2.564 1.00 15.79 C ATOM 243 CD1 LEU A 15 0.854 -5.701 -2.692 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.519 -7.991 -3.570 1.00 15.27 C ATOM 0 H LEU A 15 3.950 -9.032 -0.748 1.00 8.29 H new ATOM 0 HA LEU A 15 2.770 -9.235 -3.548 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.384 -6.703 -2.051 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.089 -6.810 -3.775 1.00 11.08 H new ATOM 0 HG LEU A 15 1.184 -7.515 -1.548 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.219 -5.659 -2.507 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.372 -5.078 -1.963 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.064 -5.335 -3.697 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.544 -7.877 -3.358 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.725 -7.648 -4.584 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.797 -9.041 -3.478 1.00 15.27 H new ATOM 256 N GLU A 16 5.131 -8.634 -4.513 1.00 11.04 N ATOM 257 CA GLU A 16 6.418 -8.598 -5.073 1.00 11.50 C ATOM 258 C GLU A 16 6.517 -7.233 -5.768 1.00 10.13 C ATOM 259 O GLU A 16 5.910 -6.953 -6.790 1.00 9.83 O ATOM 260 CB GLU A 16 6.511 -9.740 -6.133 1.00 17.22 C ATOM 261 CG GLU A 16 7.872 -9.850 -6.772 1.00 23.33 C ATOM 262 CD GLU A 16 9.046 -10.054 -5.834 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.963 -10.971 -4.997 1.00 28.86 O ATOM 264 OE2 GLU A 16 10.083 -9.392 -6.072 1.00 28.90 O ATOM 0 H GLU A 16 4.390 -8.532 -5.206 1.00 11.04 H new ATOM 0 HA GLU A 16 7.212 -8.730 -4.338 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.263 -10.689 -5.658 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.765 -9.568 -6.909 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.851 -10.680 -7.478 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.051 -8.944 -7.351 1.00 23.33 H new ATOM 271 N VAL A 17 7.273 -6.293 -5.158 1.00 8.99 N ATOM 272 CA VAL A 17 7.501 -4.901 -5.590 1.00 8.85 C ATOM 273 C VAL A 17 8.973 -4.578 -5.826 1.00 8.04 C ATOM 274 O VAL A 17 9.850 -5.357 -5.597 1.00 8.99 O ATOM 275 CB VAL A 17 6.961 -3.884 -4.630 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.394 -3.864 -4.723 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.435 -4.143 -3.206 1.00 10.54 C ATOM 0 H VAL A 17 7.772 -6.503 -4.294 1.00 8.99 H new ATOM 0 HA VAL A 17 6.956 -4.836 -6.532 1.00 8.85 H new ATOM 0 HB VAL A 17 7.345 -2.902 -4.907 1.00 9.78 H new ATOM 0 HG11 VAL A 17 4.998 -3.126 -4.026 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.093 -3.604 -5.738 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.002 -4.849 -4.470 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.022 -3.384 -2.541 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.099 -5.129 -2.884 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.524 -4.101 -3.172 1.00 10.54 H new ATOM 287 N GLU A 18 9.297 -3.381 -6.255 1.00 7.29 N ATOM 288 CA GLU A 18 10.707 -2.926 -6.402 1.00 7.08 C ATOM 289 C GLU A 18 10.778 -1.523 -5.757 1.00 6.45 C ATOM 290 O GLU A 18 9.795 -0.806 -5.652 1.00 5.28 O ATOM 291 CB GLU A 18 11.220 -2.905 -7.819 1.00 10.28 C ATOM 292 CG GLU A 18 10.488 -1.851 -8.763 1.00 12.65 C ATOM 293 CD GLU A 18 10.609 -2.130 -10.261 1.00 14.15 C ATOM 294 OE1 GLU A 18 11.624 -1.913 -10.923 1.00 18.17 O ATOM 295 OE2 GLU A 18 9.483 -2.523 -10.804 1.00 14.33 O ATOM 0 H GLU A 18 8.608 -2.676 -6.519 1.00 7.29 H new ATOM 0 HA GLU A 18 11.361 -3.644 -5.907 1.00 7.08 H new ATOM 0 HB2 GLU A 18 12.287 -2.683 -7.804 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.108 -3.900 -8.249 1.00 10.28 H new ATOM 0 HG2 GLU A 18 9.431 -1.822 -8.499 1.00 12.65 H new ATOM 0 HG3 GLU A 18 10.895 -0.860 -8.560 1.00 12.65 H new ATOM 302 N PRO A 19 11.925 -0.958 -5.337 1.00 7.24 N ATOM 303 CA PRO A 19 11.980 0.400 -4.737 1.00 7.07 C ATOM 304 C PRO A 19 11.461 1.587 -5.634 1.00 6.65 C ATOM 305 O PRO A 19 11.100 2.643 -5.068 1.00 6.37 O ATOM 306 CB PRO A 19 13.451 0.592 -4.387 1.00 7.61 C ATOM 307 CG PRO A 19 13.906 -0.823 -4.131 1.00 8.16 C ATOM 308 CD PRO A 19 13.221 -1.618 -5.225 1.00 7.49 C ATOM 0 HA PRO A 19 11.297 0.440 -3.889 1.00 7.07 H new ATOM 0 HB2 PRO A 19 14.006 1.057 -5.202 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.581 1.226 -3.510 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.991 -0.913 -4.189 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.610 -1.167 -3.140 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.777 -1.580 -6.162 1.00 7.49 H new ATOM 0 HD3 PRO A 19 13.118 -2.670 -4.958 1.00 7.49 H new ATOM 316 N SER A 20 11.513 1.424 -6.963 1.00 6.80 N ATOM 317 CA SER A 20 11.229 2.394 -7.927 1.00 6.28 C ATOM 318 C SER A 20 9.786 2.372 -8.389 1.00 8.45 C ATOM 319 O SER A 20 9.381 3.103 -9.285 1.00 7.26 O ATOM 320 CB SER A 20 12.227 2.395 -9.147 1.00 8.57 C ATOM 321 OG SER A 20 12.593 1.056 -9.510 1.00 11.13 O ATOM 0 H SER A 20 11.778 0.532 -7.381 1.00 6.80 H new ATOM 0 HA SER A 20 11.384 3.340 -7.408 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.765 2.894 -9.999 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.121 2.964 -8.890 1.00 8.57 H new ATOM 0 HG SER A 20 13.211 1.080 -10.270 1.00 11.13 H new ATOM 327 N ASP A 21 8.948 1.473 -7.736 1.00 7.50 N ATOM 328 CA ASP A 21 7.503 1.564 -7.766 1.00 7.70 C ATOM 329 C ASP A 21 7.005 2.816 -7.024 1.00 7.08 C ATOM 330 O ASP A 21 7.611 3.284 -6.024 1.00 8.11 O ATOM 331 CB ASP A 21 6.884 0.431 -7.051 1.00 11.00 C ATOM 332 CG ASP A 21 6.681 -0.757 -7.996 1.00 15.32 C ATOM 333 OD1 ASP A 21 6.254 -0.483 -9.136 1.00 18.03 O ATOM 334 OD2 ASP A 21 6.921 -1.978 -7.681 1.00 14.36 O ATOM 0 H ASP A 21 9.296 0.685 -7.189 1.00 7.50 H new ATOM 0 HA ASP A 21 7.231 1.582 -8.821 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.516 0.133 -6.214 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.925 0.738 -6.633 1.00 11.00 H new ATOM 339 N THR A 22 5.849 3.356 -7.423 1.00 5.37 N ATOM 340 CA THR A 22 5.226 4.450 -6.687 1.00 6.01 C ATOM 341 C THR A 22 4.179 3.797 -5.764 1.00 8.01 C ATOM 342 O THR A 22 3.725 2.707 -6.082 1.00 8.11 O ATOM 343 CB THR A 22 4.470 5.413 -7.534 1.00 8.92 C ATOM 344 OG1 THR A 22 3.542 4.809 -8.409 1.00 10.22 O ATOM 345 CG2 THR A 22 5.372 6.336 -8.359 1.00 9.65 C ATOM 0 H THR A 22 5.331 3.052 -8.248 1.00 5.37 H new ATOM 0 HA THR A 22 6.023 5.003 -6.189 1.00 6.01 H new ATOM 0 HB THR A 22 3.922 6.002 -6.798 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.201 5.479 -9.038 1.00 10.22 H new ATOM 0 HG21 THR A 22 4.756 7.011 -8.952 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.007 6.917 -7.690 1.00 9.65 H new ATOM 0 HG23 THR A 22 5.996 5.737 -9.022 1.00 9.65 H new ATOM 353 N ILE A 23 3.775 4.524 -4.718 1.00 8.32 N ATOM 354 CA ILE A 23 2.647 4.074 -3.971 1.00 9.92 C ATOM 355 C ILE A 23 1.347 4.002 -4.752 1.00 10.01 C ATOM 356 O ILE A 23 0.582 3.018 -4.546 1.00 8.71 O ATOM 357 CB ILE A 23 2.456 5.037 -2.837 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.631 5.148 -1.873 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.199 4.847 -1.958 1.00 10.90 C ATOM 360 CD1 ILE A 23 3.913 3.891 -1.048 1.00 12.30 C ATOM 0 H ILE A 23 4.206 5.390 -4.395 1.00 8.32 H new ATOM 0 HA ILE A 23 2.863 3.054 -3.655 1.00 9.92 H new ATOM 0 HB ILE A 23 2.344 5.949 -3.424 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.526 5.399 -2.442 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.444 5.977 -1.191 1.00 11.38 H new ATOM 0 HG21 ILE A 23 1.183 5.607 -1.177 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.306 4.942 -2.575 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.221 3.858 -1.501 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.766 4.069 -0.393 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.038 3.647 -0.446 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.136 3.060 -1.717 1.00 12.30 H new ATOM 372 N GLU A 24 1.074 4.844 -5.831 1.00 9.54 N ATOM 373 CA GLU A 24 0.007 4.589 -6.810 1.00 11.81 C ATOM 374 C GLU A 24 0.075 3.239 -7.515 1.00 11.14 C ATOM 375 O GLU A 24 -0.914 2.536 -7.813 1.00 10.62 O ATOM 376 CB GLU A 24 0.088 5.773 -7.878 1.00 19.24 C ATOM 377 CG GLU A 24 -0.873 5.639 -9.095 1.00 27.76 C ATOM 378 CD GLU A 24 -1.020 6.902 -9.959 1.00 32.92 C ATOM 379 OE1 GLU A 24 -0.038 7.490 -10.383 1.00 34.80 O ATOM 380 OE2 GLU A 24 -2.235 7.187 -10.346 1.00 36.51 O ATOM 0 H GLU A 24 1.599 5.699 -6.015 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.941 4.555 -6.273 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.125 6.713 -7.370 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.111 5.836 -8.249 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.520 4.825 -9.728 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -1.859 5.353 -8.729 1.00 27.76 H new ATOM 387 N ASN A 25 1.321 2.762 -7.803 1.00 9.43 N ATOM 388 CA ASN A 25 1.528 1.469 -8.439 1.00 10.96 C ATOM 389 C ASN A 25 1.067 0.397 -7.452 1.00 9.68 C ATOM 390 O ASN A 25 0.394 -0.544 -7.834 1.00 9.33 O ATOM 391 CB ASN A 25 3.040 1.114 -8.817 1.00 16.78 C ATOM 392 CG ASN A 25 3.645 1.891 -9.966 1.00 22.31 C ATOM 393 OD1 ASN A 25 2.997 2.722 -10.640 1.00 25.66 O ATOM 394 ND2 ASN A 25 4.950 1.629 -10.259 1.00 24.70 N ATOM 0 H ASN A 25 2.182 3.268 -7.597 1.00 9.43 H new ATOM 0 HA ASN A 25 0.972 1.508 -9.376 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.659 1.272 -7.934 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.092 0.052 -9.057 1.00 16.78 H new ATOM 0 HD21 ASN A 25 5.406 2.112 -11.033 1.00 24.70 H new ATOM 0 HD22 ASN A 25 5.471 0.950 -9.704 1.00 24.70 H new ATOM 401 N VAL A 26 1.413 0.588 -6.164 1.00 6.52 N ATOM 402 CA VAL A 26 1.027 -0.425 -5.123 1.00 5.53 C ATOM 403 C VAL A 26 -0.494 -0.594 -5.013 1.00 4.42 C ATOM 404 O VAL A 26 -1.104 -1.669 -4.879 1.00 3.40 O ATOM 405 CB VAL A 26 1.583 -0.118 -3.755 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.172 -1.215 -2.679 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.159 -0.105 -3.892 1.00 8.12 C ATOM 0 H VAL A 26 1.935 1.391 -5.815 1.00 6.52 H new ATOM 0 HA VAL A 26 1.472 -1.358 -5.471 1.00 5.53 H new ATOM 0 HB VAL A 26 1.185 0.837 -3.413 1.00 3.86 H new ATOM 0 HG11 VAL A 26 1.595 -0.951 -1.710 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.086 -1.259 -2.601 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.553 -2.188 -2.988 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.607 0.114 -2.923 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.502 -1.080 -4.238 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.456 0.660 -4.610 1.00 8.12 H new ATOM 417 N LYS A 27 -1.219 0.522 -5.128 1.00 2.64 N ATOM 418 CA LYS A 27 -2.671 0.646 -5.117 1.00 4.14 C ATOM 419 C LYS A 27 -3.322 -0.126 -6.255 1.00 5.58 C ATOM 420 O LYS A 27 -4.269 -0.935 -6.086 1.00 4.11 O ATOM 421 CB LYS A 27 -3.170 2.073 -4.978 1.00 3.97 C ATOM 422 CG LYS A 27 -2.712 2.770 -3.695 1.00 7.45 C ATOM 423 CD LYS A 27 -3.502 4.055 -3.417 1.00 9.02 C ATOM 424 CE LYS A 27 -2.957 4.778 -2.238 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.941 5.713 -1.615 1.00 15.47 N ATOM 0 H LYS A 27 -0.767 1.430 -5.240 1.00 2.64 H new ATOM 0 HA LYS A 27 -3.003 0.165 -4.197 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.828 2.652 -5.836 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.260 2.071 -5.009 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.825 2.087 -2.853 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.651 3.008 -3.772 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -3.466 4.703 -4.293 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.550 3.810 -3.244 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -2.633 4.052 -1.492 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.073 5.340 -2.541 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.442 6.375 -0.987 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -4.433 6.247 -2.360 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.635 5.169 -1.063 1.00 15.47 H new ATOM 439 N ALA A 28 -2.799 0.036 -7.481 1.00 6.61 N ATOM 440 CA ALA A 28 -3.141 -0.797 -8.598 1.00 7.74 C ATOM 441 C ALA A 28 -2.888 -2.328 -8.387 1.00 9.17 C ATOM 442 O ALA A 28 -3.669 -3.187 -8.750 1.00 11.45 O ATOM 443 CB ALA A 28 -2.418 -0.400 -9.898 1.00 7.68 C ATOM 0 H ALA A 28 -2.121 0.764 -7.706 1.00 6.61 H new ATOM 0 HA ALA A 28 -4.214 -0.625 -8.683 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.722 -1.070 -10.702 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.679 0.625 -10.161 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.340 -0.474 -9.752 1.00 7.68 H new ATOM 449 N LYS A 29 -1.732 -2.666 -7.762 1.00 8.96 N ATOM 450 CA LYS A 29 -1.296 -4.019 -7.474 1.00 7.90 C ATOM 451 C LYS A 29 -2.210 -4.734 -6.483 1.00 6.92 C ATOM 452 O LYS A 29 -2.555 -5.877 -6.657 1.00 6.87 O ATOM 453 CB LYS A 29 0.232 -4.071 -7.065 1.00 10.28 C ATOM 454 CG LYS A 29 0.793 -5.483 -6.717 1.00 14.94 C ATOM 455 CD LYS A 29 2.352 -5.484 -6.385 1.00 19.69 C ATOM 456 CE LYS A 29 3.296 -5.376 -7.595 1.00 22.63 C ATOM 457 NZ LYS A 29 3.270 -6.692 -8.199 1.00 24.98 N ATOM 0 H LYS A 29 -1.066 -1.963 -7.440 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.382 -4.584 -8.402 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.822 -3.658 -7.883 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.381 -3.419 -6.204 1.00 10.28 H new ATOM 0 HG2 LYS A 29 0.247 -5.881 -5.862 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.608 -6.155 -7.555 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.561 -4.654 -5.710 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.588 -6.401 -5.845 1.00 19.69 H new ATOM 0 HE2 LYS A 29 2.957 -4.612 -8.295 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.305 -5.101 -7.287 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.147 -7.199 -7.964 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 2.454 -7.225 -7.836 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 3.191 -6.598 -9.232 1.00 24.98 H new ATOM 471 N ILE A 30 -2.710 -3.950 -5.485 1.00 4.57 N ATOM 472 CA ILE A 30 -3.818 -4.297 -4.610 1.00 5.58 C ATOM 473 C ILE A 30 -5.174 -4.499 -5.257 1.00 7.26 C ATOM 474 O ILE A 30 -5.756 -5.527 -4.941 1.00 9.46 O ATOM 475 CB ILE A 30 -3.912 -3.336 -3.406 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.647 -3.458 -2.615 1.00 2.94 C ATOM 477 CG2 ILE A 30 -5.171 -3.827 -2.521 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.637 -2.433 -1.449 1.00 2.00 C ATOM 0 H ILE A 30 -2.323 -3.029 -5.278 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.552 -5.297 -4.269 1.00 5.58 H new ATOM 0 HB ILE A 30 -4.042 -2.298 -3.711 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.554 -4.469 -2.219 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.787 -3.289 -3.264 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.281 -3.177 -1.653 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -6.078 -3.784 -3.124 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -5.004 -4.851 -2.188 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.711 -2.534 -0.883 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.707 -1.423 -1.852 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.486 -2.621 -0.792 1.00 2.00 H new ATOM 490 N GLN A 31 -5.578 -3.676 -6.244 1.00 7.06 N ATOM 491 CA GLN A 31 -6.788 -3.808 -7.035 1.00 8.67 C ATOM 492 C GLN A 31 -6.781 -5.124 -7.824 1.00 10.90 C ATOM 493 O GLN A 31 -7.725 -5.881 -7.901 1.00 9.63 O ATOM 494 CB GLN A 31 -6.924 -2.699 -8.124 1.00 9.12 C ATOM 495 CG GLN A 31 -8.303 -2.672 -8.828 1.00 10.76 C ATOM 496 CD GLN A 31 -8.310 -1.691 -9.945 1.00 13.78 C ATOM 497 OE1 GLN A 31 -7.395 -0.970 -10.334 1.00 14.48 O ATOM 498 NE2 GLN A 31 -9.469 -1.562 -10.597 1.00 14.76 N ATOM 0 H GLN A 31 -5.029 -2.860 -6.515 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.602 -3.747 -6.312 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.744 -1.728 -7.663 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -6.147 -2.844 -8.875 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.540 -3.665 -9.210 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -9.079 -2.414 -8.107 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -10.272 -2.130 -10.327 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -9.551 -0.896 -11.365 1.00 14.76 H new ATOM 507 N ASP A 32 -5.622 -5.462 -8.473 1.00 10.93 N ATOM 508 CA ASP A 32 -5.389 -6.651 -9.132 1.00 14.01 C ATOM 509 C ASP A 32 -5.542 -7.861 -8.212 1.00 14.04 C ATOM 510 O ASP A 32 -6.119 -8.898 -8.586 1.00 13.39 O ATOM 511 CB ASP A 32 -3.984 -6.480 -9.783 1.00 18.01 C ATOM 512 CG ASP A 32 -3.543 -7.609 -10.720 1.00 24.33 C ATOM 513 OD1 ASP A 32 -3.897 -7.555 -11.936 1.00 25.17 O ATOM 514 OD2 ASP A 32 -2.884 -8.585 -10.307 1.00 26.29 O ATOM 0 H ASP A 32 -4.822 -4.830 -8.513 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.128 -6.861 -9.905 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.975 -5.544 -10.342 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.245 -6.383 -8.988 1.00 18.01 H new ATOM 519 N LYS A 33 -4.977 -7.774 -7.016 1.00 14.22 N ATOM 520 CA LYS A 33 -5.062 -8.814 -5.985 1.00 14.00 C ATOM 521 C LYS A 33 -6.416 -9.060 -5.282 1.00 12.37 C ATOM 522 O LYS A 33 -6.892 -10.192 -5.179 1.00 12.17 O ATOM 523 CB LYS A 33 -4.020 -8.351 -4.980 1.00 18.62 C ATOM 524 CG LYS A 33 -3.713 -9.322 -3.802 1.00 24.00 C ATOM 525 CD LYS A 33 -3.086 -10.713 -4.224 1.00 27.61 C ATOM 526 CE LYS A 33 -1.672 -10.624 -4.612 1.00 27.64 C ATOM 527 NZ LYS A 33 -1.209 -11.881 -5.200 1.00 30.06 N ATOM 0 H LYS A 33 -4.433 -6.962 -6.723 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.911 -9.786 -6.455 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -3.090 -8.160 -5.516 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.348 -7.400 -4.562 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -3.029 -8.827 -3.113 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -4.637 -9.509 -3.255 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -3.184 -11.413 -3.394 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -3.658 -11.123 -5.056 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -1.538 -9.813 -5.328 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -1.066 -10.382 -3.739 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -0.207 -11.792 -5.465 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.316 -12.649 -4.507 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.774 -12.097 -6.046 1.00 30.06 H new ATOM 541 N GLU A 34 -7.039 -7.928 -4.890 1.00 10.11 N ATOM 542 CA GLU A 34 -8.179 -7.856 -3.978 1.00 10.07 C ATOM 543 C GLU A 34 -9.359 -7.096 -4.568 1.00 9.32 C ATOM 544 O GLU A 34 -10.370 -6.942 -3.857 1.00 11.61 O ATOM 545 CB GLU A 34 -7.783 -7.155 -2.642 1.00 14.77 C ATOM 546 CG GLU A 34 -6.951 -7.992 -1.725 1.00 18.75 C ATOM 547 CD GLU A 34 -7.679 -9.197 -1.185 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.651 -9.154 -0.397 1.00 21.95 O ATOM 549 OE2 GLU A 34 -7.275 -10.327 -1.579 1.00 25.19 O ATOM 0 H GLU A 34 -6.743 -7.009 -5.218 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.476 -8.889 -3.800 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.237 -6.241 -2.874 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.692 -6.859 -2.118 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.060 -8.324 -2.257 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.613 -7.377 -0.891 1.00 18.75 H new ATOM 556 N GLY A 35 -9.341 -6.609 -5.829 1.00 7.22 N ATOM 557 CA GLY A 35 -10.475 -5.905 -6.412 1.00 6.29 C ATOM 558 C GLY A 35 -10.693 -4.501 -5.908 1.00 6.93 C ATOM 559 O GLY A 35 -11.586 -3.892 -6.408 1.00 7.41 O ATOM 0 H GLY A 35 -8.541 -6.698 -6.456 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.341 -5.868 -7.493 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.378 -6.485 -6.222 1.00 6.29 H new ATOM 563 N ILE A 36 -9.853 -3.943 -4.947 1.00 5.86 N ATOM 564 CA ILE A 36 -10.120 -2.683 -4.331 1.00 6.07 C ATOM 565 C ILE A 36 -9.718 -1.562 -5.156 1.00 6.36 C ATOM 566 O ILE A 36 -8.539 -1.641 -5.523 1.00 6.18 O ATOM 567 CB ILE A 36 -9.529 -2.424 -2.996 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.761 -3.737 -2.097 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.160 -1.190 -2.328 1.00 7.36 C ATOM 570 CD1 ILE A 36 -8.835 -3.593 -0.914 1.00 9.49 C ATOM 0 H ILE A 36 -8.997 -4.391 -4.620 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.200 -2.765 -4.205 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.465 -2.213 -3.100 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.799 -3.812 -1.774 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.537 -4.642 -2.661 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.702 -1.031 -1.352 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.994 -0.313 -2.954 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.231 -1.351 -2.205 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -8.944 -4.458 -0.259 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -7.805 -3.530 -1.264 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.087 -2.687 -0.363 1.00 9.49 H new ATOM 582 N PRO A 37 -10.468 -0.555 -5.538 1.00 8.65 N ATOM 583 CA PRO A 37 -10.058 0.655 -6.244 1.00 9.18 C ATOM 584 C PRO A 37 -9.048 1.515 -5.650 1.00 9.85 C ATOM 585 O PRO A 37 -9.249 1.716 -4.464 1.00 8.51 O ATOM 586 CB PRO A 37 -11.289 1.424 -6.422 1.00 11.42 C ATOM 587 CG PRO A 37 -12.430 0.403 -6.563 1.00 9.27 C ATOM 588 CD PRO A 37 -11.946 -0.719 -5.669 1.00 8.33 C ATOM 0 HA PRO A 37 -9.555 0.316 -7.150 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.461 2.082 -5.570 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.225 2.058 -7.306 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.386 0.808 -6.231 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.563 0.077 -7.595 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.429 -0.672 -4.693 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.191 -1.690 -6.099 1.00 8.33 H new ATOM 596 N PRO A 38 -8.001 2.106 -6.196 1.00 8.71 N ATOM 597 CA PRO A 38 -7.044 3.015 -5.550 1.00 9.08 C ATOM 598 C PRO A 38 -7.761 4.044 -4.724 1.00 9.28 C ATOM 599 O PRO A 38 -7.231 4.540 -3.734 1.00 6.50 O ATOM 600 CB PRO A 38 -6.132 3.571 -6.643 1.00 10.31 C ATOM 601 CG PRO A 38 -6.101 2.310 -7.532 1.00 10.81 C ATOM 602 CD PRO A 38 -7.536 1.795 -7.517 1.00 12.00 C ATOM 0 HA PRO A 38 -6.409 2.501 -4.828 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.551 4.441 -7.148 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.148 3.859 -6.274 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.775 2.547 -8.545 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.408 1.565 -7.140 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.143 2.283 -8.279 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.578 0.724 -7.713 1.00 12.00 H new ATOM 610 N ASP A 39 -8.972 4.541 -5.149 1.00 11.20 N ATOM 611 CA ASP A 39 -9.652 5.622 -4.518 1.00 14.96 C ATOM 612 C ASP A 39 -10.408 5.248 -3.270 1.00 13.99 C ATOM 613 O ASP A 39 -10.925 6.156 -2.566 1.00 13.75 O ATOM 614 CB ASP A 39 -10.573 6.174 -5.587 1.00 24.16 C ATOM 615 CG ASP A 39 -9.862 6.642 -6.866 1.00 31.06 C ATOM 616 OD1 ASP A 39 -9.158 7.689 -6.761 1.00 35.55 O ATOM 617 OD2 ASP A 39 -10.051 6.036 -7.951 1.00 34.22 O ATOM 0 H ASP A 39 -9.471 4.165 -5.955 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.932 6.354 -4.153 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -11.301 5.407 -5.852 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -11.131 7.012 -5.170 1.00 24.16 H new ATOM 622 N GLN A 40 -10.373 3.935 -2.974 1.00 11.60 N ATOM 623 CA GLN A 40 -10.902 3.295 -1.773 1.00 10.76 C ATOM 624 C GLN A 40 -9.724 2.839 -0.864 1.00 8.01 C ATOM 625 O GLN A 40 -9.986 2.264 0.176 1.00 8.96 O ATOM 626 CB GLN A 40 -11.860 2.148 -2.187 1.00 11.14 C ATOM 627 CG GLN A 40 -13.219 2.628 -2.840 1.00 14.85 C ATOM 628 CD GLN A 40 -14.024 1.386 -3.337 1.00 16.11 C ATOM 629 OE1 GLN A 40 -14.731 1.478 -4.313 1.00 20.52 O ATOM 630 NE2 GLN A 40 -13.914 0.238 -2.654 1.00 18.16 N ATOM 0 H GLN A 40 -9.948 3.260 -3.610 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.491 3.993 -1.179 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.343 1.497 -2.892 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -12.088 1.547 -1.307 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.806 3.188 -2.113 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.017 3.301 -3.673 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -13.310 0.189 -1.834 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -14.434 -0.586 -2.955 1.00 18.16 H new ATOM 639 N GLN A 41 -8.430 3.106 -1.185 1.00 6.52 N ATOM 640 CA GLN A 41 -7.320 2.518 -0.519 1.00 3.87 C ATOM 641 C GLN A 41 -6.477 3.536 0.176 1.00 4.79 C ATOM 642 O GLN A 41 -6.112 4.509 -0.503 1.00 6.34 O ATOM 643 CB GLN A 41 -6.349 1.747 -1.500 1.00 4.20 C ATOM 644 CG GLN A 41 -6.936 0.477 -2.154 1.00 3.20 C ATOM 645 CD GLN A 41 -5.828 -0.091 -3.040 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.643 0.130 -2.752 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.327 -0.747 -4.085 1.00 7.13 N ATOM 0 H GLN A 41 -8.164 3.750 -1.930 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.773 1.826 0.191 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.040 2.432 -2.290 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.450 1.469 -0.950 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.240 -0.246 -1.398 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.822 0.715 -2.742 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.337 -0.849 -4.188 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.700 -1.148 -4.782 1.00 7.13 H new ATOM 656 N ARG A 42 -6.118 3.340 1.449 1.00 5.73 N ATOM 657 CA ARG A 42 -5.233 4.141 2.174 1.00 6.97 C ATOM 658 C ARG A 42 -4.175 3.222 2.653 1.00 7.15 C ATOM 659 O ARG A 42 -4.484 2.143 3.167 1.00 7.33 O ATOM 660 CB ARG A 42 -5.934 4.873 3.369 1.00 13.23 C ATOM 661 CG ARG A 42 -6.835 6.097 2.889 1.00 21.27 C ATOM 662 CD ARG A 42 -7.483 6.734 4.040 1.00 26.14 C ATOM 663 NE ARG A 42 -7.911 8.095 3.522 1.00 32.26 N ATOM 664 CZ ARG A 42 -8.844 8.888 4.098 1.00 34.32 C ATOM 665 NH1 ARG A 42 -9.833 8.388 4.864 1.00 35.30 N ATOM 666 NH2 ARG A 42 -8.887 10.200 3.831 1.00 36.39 N ATOM 0 H ARG A 42 -6.481 2.561 1.998 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.830 4.940 1.551 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.554 4.161 3.914 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.177 5.234 4.065 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.220 6.825 2.361 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.590 5.747 2.185 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -8.338 6.153 4.387 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.797 6.826 4.882 1.00 26.14 H new ATOM 0 HE ARG A 42 -7.460 8.439 2.674 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -9.895 7.383 5.025 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -10.520 9.015 5.283 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -8.212 10.612 3.187 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -9.595 10.787 4.272 1.00 36.39 H new ATOM 680 N LEU A 43 -2.889 3.625 2.584 1.00 4.65 N ATOM 681 CA LEU A 43 -1.854 2.683 2.941 1.00 3.51 C ATOM 682 C LEU A 43 -1.051 3.312 4.073 1.00 5.56 C ATOM 683 O LEU A 43 -0.508 4.435 3.936 1.00 4.19 O ATOM 684 CB LEU A 43 -0.910 2.550 1.696 1.00 3.74 C ATOM 685 CG LEU A 43 -1.607 1.802 0.525 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.713 1.737 -0.788 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.977 0.437 0.990 1.00 6.41 C ATOM 0 H LEU A 43 -2.571 4.551 2.298 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.261 1.716 3.235 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.604 3.542 1.364 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.004 2.016 1.981 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.500 2.360 0.244 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.253 1.203 -1.570 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.490 2.749 -1.127 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.218 1.215 -0.569 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.468 -0.103 0.180 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -1.078 -0.101 1.292 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.656 0.514 1.839 1.00 6.41 H new ATOM 699 N ILE A 44 -0.963 2.622 5.239 1.00 4.58 N ATOM 700 CA ILE A 44 -0.371 3.093 6.437 1.00 5.55 C ATOM 701 C ILE A 44 0.883 2.241 6.823 1.00 5.46 C ATOM 702 O ILE A 44 0.979 0.985 6.900 1.00 6.04 O ATOM 703 CB ILE A 44 -1.422 3.169 7.566 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.341 4.340 7.281 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.710 3.237 8.950 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.412 4.512 8.316 1.00 13.90 C ATOM 0 H ILE A 44 -1.334 1.677 5.334 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.007 4.108 6.275 1.00 5.55 H new ATOM 0 HB ILE A 44 -2.042 2.273 7.602 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -1.749 5.253 7.224 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.806 4.200 6.305 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.458 3.290 9.741 1.00 7.39 H new ATOM 0 HG22 ILE A 44 -0.098 2.346 9.088 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.076 4.123 8.990 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.036 5.366 8.055 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -4.026 3.613 8.357 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.953 4.682 9.290 1.00 13.90 H new ATOM 718 N PHE A 45 1.977 2.973 7.153 1.00 6.75 N ATOM 719 CA PHE A 45 3.253 2.444 7.511 1.00 4.70 C ATOM 720 C PHE A 45 4.073 3.549 8.235 1.00 6.34 C ATOM 721 O PHE A 45 4.059 4.739 7.897 1.00 5.45 O ATOM 722 CB PHE A 45 3.981 2.000 6.176 1.00 5.51 C ATOM 723 CG PHE A 45 5.339 1.440 6.282 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.598 0.227 6.955 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.442 2.127 5.694 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.869 -0.274 7.087 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.735 1.650 5.946 1.00 6.64 C ATOM 728 CZ PHE A 45 7.980 0.474 6.685 1.00 6.84 C ATOM 0 H PHE A 45 1.959 3.993 7.168 1.00 6.75 H new ATOM 0 HA PHE A 45 3.154 1.590 8.181 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.352 1.259 5.683 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.028 2.867 5.517 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.771 -0.324 7.379 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.284 2.994 5.070 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.013 -1.259 7.507 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.577 2.205 5.559 1.00 6.64 H new ATOM 0 HZ PHE A 45 8.985 0.164 6.930 1.00 6.84 H new ATOM 738 N ALA A 46 4.869 3.126 9.222 1.00 6.53 N ATOM 739 CA ALA A 46 5.968 3.911 9.701 1.00 7.15 C ATOM 740 C ALA A 46 5.470 5.172 10.496 1.00 9.00 C ATOM 741 O ALA A 46 6.207 6.196 10.613 1.00 11.15 O ATOM 742 CB ALA A 46 7.098 4.037 8.696 1.00 8.99 C ATOM 0 H ALA A 46 4.755 2.231 9.698 1.00 6.53 H new ATOM 0 HA ALA A 46 6.507 3.374 10.481 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.898 4.643 9.122 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.483 3.046 8.455 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.726 4.512 7.788 1.00 8.99 H new ATOM 748 N GLY A 47 4.269 5.166 11.051 1.00 9.35 N ATOM 749 CA GLY A 47 3.720 6.389 11.632 1.00 11.68 C ATOM 750 C GLY A 47 3.252 7.433 10.626 1.00 11.14 C ATOM 751 O GLY A 47 2.987 8.609 10.930 1.00 13.93 O ATOM 0 H GLY A 47 3.663 4.348 11.113 1.00 9.35 H new ATOM 0 HA2 GLY A 47 2.879 6.122 12.272 1.00 11.68 H new ATOM 0 HA3 GLY A 47 4.478 6.840 12.273 1.00 11.68 H new ATOM 755 N LYS A 48 3.142 7.027 9.374 1.00 10.47 N ATOM 756 CA LYS A 48 2.860 7.922 8.243 1.00 8.82 C ATOM 757 C LYS A 48 1.712 7.224 7.527 1.00 7.68 C ATOM 758 O LYS A 48 1.282 6.059 7.793 1.00 6.47 O ATOM 759 CB LYS A 48 4.054 8.086 7.337 1.00 9.74 C ATOM 760 CG LYS A 48 5.180 8.788 8.018 1.00 14.14 C ATOM 761 CD LYS A 48 6.326 9.088 7.046 1.00 16.32 C ATOM 762 CE LYS A 48 7.429 9.789 7.814 1.00 20.04 C ATOM 763 NZ LYS A 48 8.569 10.090 6.977 1.00 23.92 N ATOM 0 H LYS A 48 3.246 6.050 9.099 1.00 10.47 H new ATOM 0 HA LYS A 48 2.617 8.936 8.562 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.390 7.106 6.999 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.761 8.647 6.449 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.819 9.719 8.454 1.00 14.14 H new ATOM 0 HG3 LYS A 48 5.550 8.174 8.839 1.00 14.14 H new ATOM 0 HD2 LYS A 48 6.699 8.165 6.602 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.975 9.716 6.227 1.00 16.32 H new ATOM 0 HE2 LYS A 48 7.041 10.713 8.243 1.00 20.04 H new ATOM 0 HE3 LYS A 48 7.747 9.160 8.646 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 9.298 10.569 7.543 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 8.957 9.207 6.588 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 8.273 10.711 6.197 1.00 23.92 H new ATOM 777 N GLN A 49 1.081 8.041 6.613 1.00 8.89 N ATOM 778 CA GLN A 49 0.102 7.566 5.636 1.00 7.18 C ATOM 779 C GLN A 49 0.570 7.864 4.221 1.00 8.23 C ATOM 780 O GLN A 49 1.003 8.963 3.901 1.00 9.70 O ATOM 781 CB GLN A 49 -1.280 8.119 5.976 1.00 11.67 C ATOM 782 CG GLN A 49 -2.397 7.489 5.089 1.00 15.82 C ATOM 783 CD GLN A 49 -3.753 8.223 5.347 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.656 7.671 5.883 1.00 23.23 O ATOM 785 NE2 GLN A 49 -3.972 9.389 4.747 1.00 20.67 N ATOM 0 H GLN A 49 1.256 9.044 6.555 1.00 8.89 H new ATOM 0 HA GLN A 49 0.013 6.481 5.685 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.499 7.926 7.026 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.280 9.201 5.844 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.125 7.566 4.036 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.498 6.428 5.315 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.205 9.875 4.282 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.907 9.797 4.752 1.00 20.67 H new ATOM 794 N LEU A 50 0.533 6.926 3.221 1.00 6.51 N ATOM 795 CA LEU A 50 1.381 6.989 2.086 1.00 7.41 C ATOM 796 C LEU A 50 0.690 7.471 0.780 1.00 8.27 C ATOM 797 O LEU A 50 -0.295 6.943 0.333 1.00 8.34 O ATOM 798 CB LEU A 50 2.072 5.654 1.820 1.00 7.13 C ATOM 799 CG LEU A 50 2.692 4.862 3.002 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.416 3.625 2.518 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.656 5.811 3.753 1.00 9.11 C ATOM 0 H LEU A 50 -0.100 6.126 3.223 1.00 6.51 H new ATOM 0 HA LEU A 50 2.116 7.748 2.353 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.345 5.002 1.336 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.867 5.837 1.097 1.00 7.13 H new ATOM 0 HG LEU A 50 1.903 4.518 3.671 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.838 3.094 3.371 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.715 2.974 1.996 1.00 8.14 H new ATOM 0 HD13 LEU A 50 4.217 3.915 1.838 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.108 5.281 4.591 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.438 6.148 3.073 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.102 6.673 4.125 1.00 9.11 H new ATOM 813 N GLU A 51 1.235 8.566 0.154 1.00 9.43 N ATOM 814 CA GLU A 51 0.616 9.277 -0.996 1.00 11.90 C ATOM 815 C GLU A 51 0.982 8.717 -2.375 1.00 11.49 C ATOM 816 O GLU A 51 2.084 8.139 -2.586 1.00 9.88 O ATOM 817 CB GLU A 51 0.944 10.745 -0.962 1.00 16.56 C ATOM 818 CG GLU A 51 0.275 11.604 0.105 1.00 26.06 C ATOM 819 CD GLU A 51 -1.241 11.740 0.042 1.00 29.86 C ATOM 820 OE1 GLU A 51 -2.001 10.757 0.008 1.00 33.44 O ATOM 821 OE2 GLU A 51 -1.686 12.897 0.092 1.00 32.13 O ATOM 0 H GLU A 51 2.123 8.975 0.444 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.454 9.115 -0.869 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.023 10.843 -0.841 1.00 16.56 H new ATOM 0 HB3 GLU A 51 0.692 11.166 -1.935 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.537 11.195 1.081 1.00 26.06 H new ATOM 0 HG3 GLU A 51 0.706 12.604 0.053 1.00 26.06 H new ATOM 828 N ASP A 52 0.138 8.980 -3.382 1.00 12.71 N ATOM 829 CA ASP A 52 0.208 8.407 -4.662 1.00 16.56 C ATOM 830 C ASP A 52 1.478 8.585 -5.472 1.00 15.83 C ATOM 831 O ASP A 52 2.099 7.620 -5.971 1.00 17.21 O ATOM 832 CB ASP A 52 -1.013 9.089 -5.437 1.00 21.05 C ATOM 833 CG ASP A 52 -2.328 8.974 -4.676 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.549 9.796 -3.776 1.00 25.82 O ATOM 835 OD2 ASP A 52 -3.162 8.169 -5.147 1.00 28.37 O ATOM 0 H ASP A 52 -0.638 9.635 -3.284 1.00 12.71 H new ATOM 0 HA ASP A 52 0.181 7.324 -4.540 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.787 10.142 -5.608 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.122 8.623 -6.416 1.00 21.05 H new ATOM 840 N GLY A 53 2.046 9.745 -5.578 1.00 15.00 N ATOM 841 CA GLY A 53 3.167 10.091 -6.410 1.00 11.77 C ATOM 842 C GLY A 53 4.492 9.835 -5.836 1.00 11.10 C ATOM 843 O GLY A 53 5.517 10.045 -6.500 1.00 11.25 O ATOM 0 H GLY A 53 1.713 10.545 -5.041 1.00 15.00 H new ATOM 0 HA2 GLY A 53 3.085 9.539 -7.346 1.00 11.77 H new ATOM 0 HA3 GLY A 53 3.098 11.150 -6.658 1.00 11.77 H new ATOM 847 N ARG A 54 4.631 9.373 -4.595 1.00 8.53 N ATOM 848 CA ARG A 54 5.941 9.210 -3.966 1.00 9.05 C ATOM 849 C ARG A 54 6.348 7.750 -4.003 1.00 8.96 C ATOM 850 O ARG A 54 5.559 6.844 -3.978 1.00 11.60 O ATOM 851 CB ARG A 54 5.915 9.771 -2.526 1.00 7.97 C ATOM 852 CG ARG A 54 5.341 11.221 -2.363 1.00 9.62 C ATOM 853 CD ARG A 54 5.114 11.588 -0.915 1.00 12.20 C ATOM 854 NE ARG A 54 4.360 12.861 -0.895 1.00 18.23 N ATOM 855 CZ ARG A 54 3.800 13.411 0.172 1.00 22.08 C ATOM 856 NH1 ARG A 54 4.049 13.102 1.393 1.00 25.50 N ATOM 857 NH2 ARG A 54 2.998 14.461 -0.101 1.00 23.38 N ATOM 0 H ARG A 54 3.847 9.103 -4.001 1.00 8.53 H new ATOM 0 HA ARG A 54 6.689 9.777 -4.520 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.325 9.096 -1.905 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.932 9.758 -2.134 1.00 7.97 H new ATOM 0 HG2 ARG A 54 6.031 11.935 -2.813 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.400 11.300 -2.908 1.00 9.62 H new ATOM 0 HD2 ARG A 54 4.557 10.804 -0.403 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.065 11.697 -0.393 1.00 12.20 H new ATOM 0 HE ARG A 54 4.263 13.358 -1.780 1.00 18.23 H new ATOM 0 HH11 ARG A 54 4.731 12.374 1.606 1.00 25.50 H new ATOM 0 HH12 ARG A 54 3.565 13.584 2.150 1.00 25.50 H new ATOM 0 HH21 ARG A 54 2.868 14.766 -1.066 1.00 23.38 H new ATOM 0 HH22 ARG A 54 2.522 14.950 0.657 1.00 23.38 H new ATOM 871 N THR A 55 7.672 7.469 -4.187 1.00 9.05 N ATOM 872 CA THR A 55 8.144 6.135 -4.351 1.00 9.03 C ATOM 873 C THR A 55 8.376 5.335 -3.129 1.00 8.15 C ATOM 874 O THR A 55 8.433 5.873 -2.043 1.00 5.91 O ATOM 875 CB THR A 55 9.359 5.952 -5.318 1.00 11.15 C ATOM 876 OG1 THR A 55 10.533 6.572 -4.770 1.00 11.95 O ATOM 877 CG2 THR A 55 9.037 6.548 -6.653 1.00 11.71 C ATOM 0 H THR A 55 8.403 8.179 -4.220 1.00 9.05 H new ATOM 0 HA THR A 55 7.254 5.724 -4.828 1.00 9.03 H new ATOM 0 HB THR A 55 9.556 4.887 -5.440 1.00 11.15 H new ATOM 0 HG1 THR A 55 11.323 6.041 -5.003 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.886 6.418 -7.324 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.163 6.049 -7.073 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.826 7.611 -6.536 1.00 11.71 H new ATOM 885 N LEU A 56 8.471 3.992 -3.184 1.00 6.91 N ATOM 886 CA LEU A 56 8.946 3.048 -2.104 1.00 8.29 C ATOM 887 C LEU A 56 10.312 3.498 -1.689 1.00 8.05 C ATOM 888 O LEU A 56 10.599 3.542 -0.494 1.00 10.17 O ATOM 889 CB LEU A 56 9.080 1.592 -2.663 1.00 6.60 C ATOM 890 CG LEU A 56 7.757 0.798 -2.486 1.00 7.73 C ATOM 891 CD1 LEU A 56 6.554 1.441 -3.190 1.00 9.85 C ATOM 892 CD2 LEU A 56 7.847 -0.670 -3.015 1.00 8.64 C ATOM 0 H LEU A 56 8.206 3.486 -4.029 1.00 6.91 H new ATOM 0 HA LEU A 56 8.235 3.053 -1.278 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.347 1.628 -3.719 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.889 1.075 -2.147 1.00 6.60 H new ATOM 0 HG LEU A 56 7.608 0.809 -1.406 1.00 7.73 H new ATOM 0 HD11 LEU A 56 5.666 0.831 -3.023 1.00 9.85 H new ATOM 0 HD12 LEU A 56 6.389 2.441 -2.788 1.00 9.85 H new ATOM 0 HD13 LEU A 56 6.752 1.508 -4.260 1.00 9.85 H new ATOM 0 HD21 LEU A 56 6.891 -1.171 -2.862 1.00 8.64 H new ATOM 0 HD22 LEU A 56 8.085 -0.660 -4.079 1.00 8.64 H new ATOM 0 HD23 LEU A 56 8.627 -1.205 -2.473 1.00 8.64 H new ATOM 904 N SER A 57 11.280 3.846 -2.608 1.00 8.92 N ATOM 905 CA SER A 57 12.614 4.365 -2.327 1.00 9.00 C ATOM 906 C SER A 57 12.614 5.657 -1.535 1.00 9.44 C ATOM 907 O SER A 57 13.465 5.894 -0.703 1.00 10.91 O ATOM 908 CB SER A 57 13.503 4.521 -3.607 1.00 10.32 C ATOM 909 OG SER A 57 12.799 5.194 -4.638 1.00 13.59 O ATOM 0 H SER A 57 11.112 3.756 -3.610 1.00 8.92 H new ATOM 0 HA SER A 57 13.062 3.595 -1.698 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.409 5.075 -3.359 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.816 3.538 -3.958 1.00 10.32 H new ATOM 0 HG SER A 57 13.376 5.280 -5.426 1.00 13.59 H new ATOM 915 N ASP A 58 11.633 6.484 -1.841 1.00 9.11 N ATOM 916 CA ASP A 58 11.370 7.740 -1.135 1.00 7.91 C ATOM 917 C ASP A 58 10.680 7.617 0.212 1.00 9.12 C ATOM 918 O ASP A 58 10.922 8.484 1.078 1.00 8.61 O ATOM 919 CB ASP A 58 10.459 8.763 -2.077 1.00 8.41 C ATOM 920 CG ASP A 58 10.452 10.152 -1.533 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.540 10.841 -1.415 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.282 10.569 -1.192 1.00 11.70 O ATOM 0 H ASP A 58 10.978 6.305 -2.602 1.00 9.11 H new ATOM 0 HA ASP A 58 12.368 8.132 -0.939 1.00 7.91 H new ATOM 0 HB2 ASP A 58 10.854 8.772 -3.093 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.437 8.390 -2.136 1.00 8.41 H new ATOM 927 N TYR A 59 9.872 6.553 0.498 1.00 7.97 N ATOM 928 CA TYR A 59 9.209 6.296 1.755 1.00 8.45 C ATOM 929 C TYR A 59 9.903 5.217 2.536 1.00 10.98 C ATOM 930 O TYR A 59 9.382 4.649 3.462 1.00 12.95 O ATOM 931 CB TYR A 59 7.744 5.768 1.502 1.00 7.94 C ATOM 932 CG TYR A 59 6.780 6.895 1.491 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.623 7.666 2.630 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.059 7.143 0.345 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.668 8.666 2.671 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.035 8.096 0.403 1.00 6.52 C ATOM 937 CZ TYR A 59 4.870 8.921 1.555 1.00 6.76 C ATOM 938 OH TYR A 59 3.759 9.794 1.574 1.00 7.63 O ATOM 0 H TYR A 59 9.674 5.832 -0.196 1.00 7.97 H new ATOM 0 HA TYR A 59 9.217 7.237 2.304 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.702 5.236 0.551 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.469 5.054 2.279 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.249 7.486 3.491 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.277 6.617 -0.573 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.540 9.251 3.570 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.362 8.208 -0.434 1.00 6.52 H new ATOM 0 HH TYR A 59 3.909 10.500 2.237 1.00 7.63 H new ATOM 948 N ASN A 60 11.127 4.890 2.166 1.00 12.38 N ATOM 949 CA ASN A 60 12.002 3.983 2.949 1.00 13.94 C ATOM 950 C ASN A 60 11.489 2.602 3.067 1.00 14.16 C ATOM 951 O ASN A 60 11.518 1.987 4.120 1.00 14.26 O ATOM 952 CB ASN A 60 12.340 4.647 4.352 1.00 19.23 C ATOM 953 CG ASN A 60 12.861 6.021 4.182 1.00 22.65 C ATOM 954 OD1 ASN A 60 12.246 6.938 4.725 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.015 6.238 3.443 1.00 24.09 N ATOM 0 H ASN A 60 11.561 5.239 1.312 1.00 12.38 H new ATOM 0 HA ASN A 60 12.930 3.861 2.391 1.00 13.94 H new ATOM 0 HB2 ASN A 60 11.444 4.669 4.972 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.076 4.039 4.877 1.00 19.23 H new ATOM 0 HD21 ASN A 60 14.381 7.184 3.335 1.00 24.09 H new ATOM 0 HD22 ASN A 60 14.497 5.452 3.008 1.00 24.09 H new ATOM 962 N ILE A 61 11.082 2.042 1.897 1.00 11.08 N ATOM 963 CA ILE A 61 10.428 0.753 1.872 1.00 11.78 C ATOM 964 C ILE A 61 11.417 -0.343 1.493 1.00 13.74 C ATOM 965 O ILE A 61 12.103 -0.283 0.486 1.00 14.60 O ATOM 966 CB ILE A 61 9.070 0.753 1.152 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.040 1.618 1.967 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.637 -0.679 1.126 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.825 2.073 1.144 1.00 11.42 C ATOM 0 H ILE A 61 11.204 2.475 0.981 1.00 11.08 H new ATOM 0 HA ILE A 61 10.113 0.503 2.885 1.00 11.78 H new ATOM 0 HB ILE A 61 9.133 1.174 0.149 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.692 1.040 2.823 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.550 2.497 2.362 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.672 -0.758 0.626 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.375 -1.273 0.587 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.548 -1.051 2.147 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.160 2.664 1.773 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.162 2.679 0.303 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.290 1.199 0.771 1.00 11.42 H new ATOM 981 N GLN A 62 11.543 -1.367 2.352 1.00 13.97 N ATOM 982 CA GLN A 62 12.665 -2.333 2.272 1.00 15.52 C ATOM 983 C GLN A 62 12.076 -3.711 2.342 1.00 13.94 C ATOM 984 O GLN A 62 10.920 -3.929 2.688 1.00 12.15 O ATOM 985 CB GLN A 62 13.616 -2.234 3.476 1.00 19.53 C ATOM 986 CG GLN A 62 14.199 -0.854 3.616 1.00 26.38 C ATOM 987 CD GLN A 62 14.958 -0.669 4.944 1.00 30.61 C ATOM 988 OE1 GLN A 62 15.040 -1.551 5.822 1.00 33.23 O ATOM 989 NE2 GLN A 62 15.617 0.471 5.084 1.00 32.71 N ATOM 0 H GLN A 62 10.887 -1.552 3.110 1.00 13.97 H new ATOM 0 HA GLN A 62 13.216 -2.123 1.355 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.077 -2.495 4.387 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.422 -2.959 3.363 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.876 -0.663 2.784 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.399 -0.116 3.552 1.00 26.38 H new ATOM 0 HE21 GLN A 62 15.549 1.191 4.365 1.00 32.71 H new ATOM 0 HE22 GLN A 62 16.193 0.629 5.911 1.00 32.71 H new ATOM 998 N LYS A 63 12.894 -4.676 1.963 1.00 11.73 N ATOM 999 CA LYS A 63 12.599 -6.051 2.142 1.00 11.97 C ATOM 1000 C LYS A 63 11.737 -6.457 3.288 1.00 10.41 C ATOM 1001 O LYS A 63 12.062 -6.187 4.432 1.00 9.59 O ATOM 1002 CB LYS A 63 13.936 -6.836 2.101 1.00 13.73 C ATOM 1003 CG LYS A 63 14.915 -6.559 3.193 1.00 16.98 C ATOM 1004 CD LYS A 63 16.055 -7.618 3.295 1.00 20.19 C ATOM 1005 CE LYS A 63 16.842 -7.591 4.633 1.00 23.42 C ATOM 1006 NZ LYS A 63 17.704 -6.452 4.713 1.00 25.97 N ATOM 0 H LYS A 63 13.794 -4.503 1.516 1.00 11.73 H new ATOM 0 HA LYS A 63 11.938 -6.308 1.314 1.00 11.97 H new ATOM 0 HB2 LYS A 63 13.705 -7.901 2.115 1.00 13.73 H new ATOM 0 HB3 LYS A 63 14.423 -6.628 1.148 1.00 13.73 H new ATOM 0 HG2 LYS A 63 15.357 -5.576 3.032 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.384 -6.517 4.144 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.625 -8.610 3.161 1.00 20.19 H new ATOM 0 HD3 LYS A 63 16.754 -7.461 2.474 1.00 20.19 H new ATOM 0 HE2 LYS A 63 16.141 -7.577 5.468 1.00 23.42 H new ATOM 0 HE3 LYS A 63 17.432 -8.502 4.727 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 18.214 -6.466 5.619 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 18.388 -6.479 3.930 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 17.137 -5.582 4.648 1.00 25.97 H new ATOM 1020 N GLU A 64 10.614 -7.141 2.977 1.00 10.04 N ATOM 1021 CA GLU A 64 9.687 -7.737 3.974 1.00 10.94 C ATOM 1022 C GLU A 64 8.983 -6.772 4.954 1.00 9.74 C ATOM 1023 O GLU A 64 8.413 -7.107 5.998 1.00 9.42 O ATOM 1024 CB GLU A 64 10.322 -8.936 4.707 1.00 18.31 C ATOM 1025 CG GLU A 64 10.622 -10.154 3.803 1.00 24.16 C ATOM 1026 CD GLU A 64 11.546 -11.139 4.472 1.00 29.00 C ATOM 1027 OE1 GLU A 64 11.190 -11.628 5.560 1.00 32.61 O ATOM 1028 OE2 GLU A 64 12.657 -11.346 3.937 1.00 31.72 O ATOM 0 H GLU A 64 10.319 -7.299 2.014 1.00 10.04 H new ATOM 0 HA GLU A 64 8.864 -8.089 3.352 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.251 -8.609 5.175 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.654 -9.250 5.509 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.688 -10.652 3.543 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.071 -9.812 2.870 1.00 24.16 H new ATOM 1035 N SER A 65 8.930 -5.470 4.517 1.00 6.85 N ATOM 1036 CA SER A 65 8.111 -4.437 5.123 1.00 6.90 C ATOM 1037 C SER A 65 6.633 -4.665 5.129 1.00 4.72 C ATOM 1038 O SER A 65 6.064 -5.048 4.096 1.00 3.91 O ATOM 1039 CB SER A 65 8.119 -3.046 4.517 1.00 7.28 C ATOM 1040 OG SER A 65 9.370 -2.482 4.629 1.00 10.56 O ATOM 0 H SER A 65 9.474 -5.135 3.721 1.00 6.85 H new ATOM 0 HA SER A 65 8.609 -4.499 6.091 1.00 6.90 H new ATOM 0 HB2 SER A 65 7.829 -3.098 3.468 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.384 -2.419 5.021 1.00 7.28 H new ATOM 0 HG SER A 65 10.007 -2.987 4.082 1.00 10.56 H new ATOM 1046 N THR A 66 5.898 -4.605 6.283 1.00 4.48 N ATOM 1047 CA THR A 66 4.434 -4.796 6.420 1.00 3.80 C ATOM 1048 C THR A 66 3.713 -3.510 6.352 1.00 4.60 C ATOM 1049 O THR A 66 3.839 -2.649 7.199 1.00 5.33 O ATOM 1050 CB THR A 66 3.973 -5.445 7.767 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.602 -6.712 7.938 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.475 -5.611 7.850 1.00 3.40 C ATOM 0 H THR A 66 6.341 -4.412 7.181 1.00 4.48 H new ATOM 0 HA THR A 66 4.200 -5.466 5.593 1.00 3.80 H new ATOM 0 HB THR A 66 4.271 -4.765 8.565 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.310 -7.111 8.784 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.212 -6.066 8.805 1.00 3.40 H new ATOM 0 HG22 THR A 66 1.996 -4.635 7.768 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.134 -6.252 7.037 1.00 3.40 H new ATOM 1060 N LEU A 67 2.907 -3.327 5.295 1.00 4.17 N ATOM 1061 CA LEU A 67 2.048 -2.113 5.066 1.00 3.85 C ATOM 1062 C LEU A 67 0.683 -2.499 5.737 1.00 3.80 C ATOM 1063 O LEU A 67 0.206 -3.609 5.578 1.00 5.54 O ATOM 1064 CB LEU A 67 1.988 -1.659 3.608 1.00 7.18 C ATOM 1065 CG LEU A 67 3.285 -1.702 2.811 1.00 9.67 C ATOM 1066 CD1 LEU A 67 3.215 -1.382 1.318 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.351 -0.809 3.512 1.00 11.66 C ATOM 0 H LEU A 67 2.819 -4.020 4.552 1.00 4.17 H new ATOM 0 HA LEU A 67 2.454 -1.206 5.515 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.254 -2.277 3.092 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.613 -0.636 3.588 1.00 7.18 H new ATOM 0 HG LEU A 67 3.562 -2.756 2.815 1.00 9.67 H new ATOM 0 HD11 LEU A 67 4.212 -1.452 0.884 1.00 8.12 H new ATOM 0 HD12 LEU A 67 2.553 -2.094 0.824 1.00 8.12 H new ATOM 0 HD13 LEU A 67 2.829 -0.372 1.180 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.281 -0.838 2.944 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.989 0.218 3.563 1.00 11.66 H new ATOM 0 HD23 LEU A 67 4.531 -1.181 4.521 1.00 11.66 H new ATOM 1079 N HIS A 68 0.029 -1.561 6.338 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.280 -1.753 6.869 1.00 4.17 C ATOM 1081 C HIS A 68 -2.212 -1.164 5.827 1.00 5.32 C ATOM 1082 O HIS A 68 -1.935 -0.053 5.337 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.482 -0.896 8.130 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.488 -1.189 9.210 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.749 -0.553 9.242 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.436 -2.163 10.111 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.499 -1.176 10.186 1.00 14.75 C ATOM 1088 NE2 HIS A 68 0.818 -2.131 10.764 1.00 16.30 N ATOM 0 H HIS A 68 0.397 -0.620 6.477 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.448 -2.804 7.102 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.414 0.158 7.859 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.488 -1.062 8.516 1.00 5.57 H new ATOM 0 HD1 HIS A 68 1.039 0.235 8.663 1.00 13.74 H new ATOM 0 HD2 HIS A 68 -1.228 -2.869 10.313 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.520 -0.918 10.427 1.00 14.75 H new ATOM 1096 N LEU A 69 -3.281 -1.814 5.450 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.214 -1.414 4.417 1.00 3.97 C ATOM 1098 C LEU A 69 -5.478 -0.927 5.157 1.00 5.07 C ATOM 1099 O LEU A 69 -6.029 -1.672 5.970 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.490 -2.627 3.543 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.654 -2.549 2.459 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.406 -1.379 1.488 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.838 -3.875 1.672 1.00 9.96 C ATOM 0 H LEU A 69 -3.546 -2.699 5.883 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.841 -0.620 3.770 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.567 -2.871 3.017 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.711 -3.465 4.204 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.581 -2.377 3.006 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.210 -1.339 0.753 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.377 -0.443 2.046 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.455 -1.526 0.977 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.645 -3.760 0.949 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.914 -4.119 1.149 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.085 -4.679 2.366 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.867 0.326 4.832 1.00 4.29 N ATOM 1116 CA VAL A 70 -6.989 0.955 5.432 1.00 6.26 C ATOM 1117 C VAL A 70 -8.021 1.178 4.252 1.00 9.22 C ATOM 1118 O VAL A 70 -7.593 1.652 3.120 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.622 2.258 6.146 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -7.820 3.084 6.555 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -5.713 1.959 7.369 1.00 8.54 C ATOM 0 H VAL A 70 -5.388 0.903 4.140 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.415 0.337 6.222 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.076 2.865 5.424 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -7.482 3.992 7.055 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -8.397 3.351 5.670 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.445 2.506 7.236 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.458 2.893 7.870 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.242 1.307 8.064 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -4.801 1.467 7.032 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.347 0.931 4.444 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.422 1.316 3.539 1.00 16.06 C ATOM 1133 C LEU A 71 -11.066 2.749 3.656 1.00 18.09 C ATOM 1134 O LEU A 71 -11.539 3.208 4.704 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.597 0.301 3.670 1.00 17.10 C ATOM 1136 CG LEU A 71 -11.183 -1.072 3.081 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -12.256 -2.120 3.465 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -11.108 -0.992 1.567 1.00 19.57 C ATOM 0 H LEU A 71 -9.689 0.439 5.269 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.900 1.323 2.582 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.874 0.187 4.718 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -12.475 0.680 3.147 1.00 17.10 H new ATOM 0 HG LEU A 71 -10.207 -1.352 3.477 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -11.978 -3.092 3.057 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -12.325 -2.189 4.551 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -13.221 -1.818 3.058 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -10.816 -1.962 1.165 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -12.083 -0.713 1.169 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -10.370 -0.243 1.278 1.00 19.57 H new ATOM 1150 N ARG A 72 -11.161 3.399 2.543 1.00 21.47 N ATOM 1151 CA ARG A 72 -11.739 4.734 2.477 1.00 25.83 C ATOM 1152 C ARG A 72 -13.081 4.613 1.857 1.00 27.74 C ATOM 1153 O ARG A 72 -13.276 3.861 0.898 1.00 30.65 O ATOM 1154 CB ARG A 72 -10.872 5.595 1.638 1.00 28.49 C ATOM 1155 CG ARG A 72 -11.132 7.110 1.518 1.00 31.79 C ATOM 1156 CD ARG A 72 -10.174 7.797 0.477 1.00 34.05 C ATOM 1157 NE ARG A 72 -10.364 9.269 0.606 1.00 35.08 N ATOM 1158 CZ ARG A 72 -9.435 10.208 0.241 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -8.245 9.860 -0.275 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -9.732 11.465 0.524 1.00 35.02 N ATOM 0 H ARG A 72 -10.845 3.034 1.644 1.00 21.47 H new ATOM 0 HA ARG A 72 -11.821 5.176 3.470 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -9.853 5.474 2.004 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -10.898 5.186 0.628 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -12.168 7.277 1.221 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -11.001 7.578 2.494 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -9.137 7.525 0.671 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -10.406 7.467 -0.535 1.00 34.05 H new ATOM 0 HE ARG A 72 -11.247 9.601 0.993 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -8.013 8.875 -0.404 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -7.573 10.581 -0.538 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -10.612 11.689 0.989 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -9.081 12.211 0.278 1.00 35.02 H new ATOM 1174 N LEU A 73 -14.064 5.411 2.393 1.00 28.93 N ATOM 1175 CA LEU A 73 -15.385 5.514 1.906 1.00 30.76 C ATOM 1176 C LEU A 73 -15.573 6.974 1.594 1.00 32.18 C ATOM 1177 O LEU A 73 -14.877 7.848 2.132 1.00 32.31 O ATOM 1178 CB LEU A 73 -16.455 4.930 2.922 1.00 30.53 C ATOM 1179 CG LEU A 73 -16.169 3.469 3.416 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -17.049 3.034 4.583 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -16.276 2.476 2.260 1.00 29.11 C ATOM 0 H LEU A 73 -13.898 6.002 3.207 1.00 28.93 H new ATOM 0 HA LEU A 73 -15.542 4.907 1.014 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -16.507 5.588 3.790 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -17.436 4.952 2.446 1.00 30.53 H new ATOM 0 HG LEU A 73 -15.147 3.474 3.794 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -16.795 2.014 4.870 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -16.886 3.701 5.430 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -18.096 3.076 4.284 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -16.074 1.469 2.625 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -17.281 2.514 1.839 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -15.550 2.735 1.489 1.00 29.11 H new ATOM 1193 N ARG A 74 -16.588 7.380 0.826 1.00 33.82 N ATOM 1194 CA ARG A 74 -16.821 8.684 0.304 1.00 35.33 C ATOM 1195 C ARG A 74 -17.150 9.630 1.417 1.00 36.22 C ATOM 1196 O ARG A 74 -16.662 10.750 1.499 1.00 36.70 O ATOM 1197 CB ARG A 74 -17.996 8.642 -0.696 1.00 36.91 C ATOM 1198 CG ARG A 74 -17.741 7.992 -2.075 1.00 38.62 C ATOM 1199 CD ARG A 74 -16.620 8.776 -2.844 1.00 39.75 C ATOM 1200 NE ARG A 74 -16.800 8.440 -4.243 1.00 41.13 N ATOM 1201 CZ ARG A 74 -16.243 9.022 -5.284 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -15.474 10.110 -5.279 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -16.474 8.440 -6.464 1.00 41.93 N ATOM 0 H ARG A 74 -17.320 6.729 0.542 1.00 33.82 H new ATOM 0 HA ARG A 74 -15.920 9.027 -0.205 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -18.821 8.111 -0.222 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -18.330 9.666 -0.864 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -17.444 6.951 -1.945 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -18.661 7.990 -2.660 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -16.712 9.850 -2.684 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -15.629 8.486 -2.495 1.00 39.75 H new ATOM 0 HE ARG A 74 -17.431 7.664 -4.443 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -15.263 10.581 -4.399 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -15.096 10.471 -6.155 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -17.050 7.600 -6.514 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -16.074 8.836 -7.315 1.00 41.93 H new ATOM 1217 N GLY A 75 -17.836 9.191 2.478 1.00 36.31 N ATOM 1218 CA GLY A 75 -18.208 9.954 3.689 1.00 36.07 C ATOM 1219 C GLY A 75 -17.100 10.278 4.691 1.00 36.16 C ATOM 1220 O GLY A 75 -17.466 10.990 5.656 1.00 36.26 O ATOM 0 H GLY A 75 -18.172 8.229 2.523 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -18.656 10.894 3.369 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -18.982 9.394 4.214 1.00 36.07 H new ATOM 1224 N GLY A 76 -15.869 9.791 4.453 1.00 36.05 N ATOM 1225 CA GLY A 76 -14.793 9.906 5.452 1.00 36.19 C ATOM 1226 C GLY A 76 -13.474 10.137 4.895 1.00 36.20 C ATOM 1227 O GLY A 76 -13.401 11.040 3.996 1.00 0.00 O ATOM 1228 OXT GLY A 76 -12.466 9.579 5.366 1.00 0.00 O ATOM 0 H GLY A 76 -15.597 9.320 3.590 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -15.033 10.722 6.133 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -14.767 8.992 6.046 1.00 36.19 H new TER 1232 GLY A 76