USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 586 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 55 THR OG1 : rot -61:sc= 1.26 USER MOD Set 1.2: A 57 SER OG : rot -31:sc= 0.971 USER MOD Set 2.1: A 22 THR OG1 : rot -38:sc= 0.919 USER MOD Set 2.2: A 25 ASN : amide:sc= 1.79 K(o=2.7,f=-6.4!) USER MOD Set 3.1: A 7 THR OG1 : rot 180:sc= 0.0284 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -135:sc= -0.269 (180deg=-0.439) USER MOD Single : A 1 MET N :NH3+ 170:sc= 2.3 (180deg=2.27) USER MOD Single : A 2 GLN : amide:sc= 0.0388 X(o=0.039,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 156:sc= 0.645 (180deg=-0.367!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -79:sc= 0.00873 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -149:sc= 1.24 (180deg=1.17) USER MOD Single : A 29 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.138) USER MOD Single : A 31 GLN : amide:sc= -0.0174 K(o=-0.017,f=-1.7!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc=-0.00137 X(o=-0.0014,f=-0.026) USER MOD Single : A 41 GLN : amide:sc= 1.44 K(o=1.4,f=-3.5!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.0587 X(o=-0.059,f=-0.52) USER MOD Single : A 59 TYR OH : rot 80:sc= 0.254 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.031) USER MOD Single : A 63 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0404) USER MOD Single : A 65 SER OG : rot -160:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= 0.47 K(o=0.47,f=-1.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.375 -7.313 -4.445 1.00 9.67 N ATOM 2 CA MET A 1 12.333 -7.822 -3.108 1.00 10.38 C ATOM 3 C MET A 1 10.902 -8.100 -2.756 1.00 9.62 C ATOM 4 O MET A 1 10.009 -7.888 -3.538 1.00 9.62 O ATOM 5 CB MET A 1 12.910 -6.790 -2.061 1.00 13.77 C ATOM 6 CG MET A 1 12.069 -5.459 -1.947 1.00 16.29 C ATOM 7 SD MET A 1 12.860 -4.338 -0.731 1.00 17.17 S ATOM 8 CE MET A 1 11.458 -3.269 -0.622 1.00 16.11 C ATOM 0 H1 MET A 1 13.330 -6.956 -4.651 1.00 9.67 H new ATOM 0 H2 MET A 1 12.138 -8.074 -5.114 1.00 9.67 H new ATOM 0 H3 MET A 1 11.687 -6.539 -4.544 1.00 9.67 H new ATOM 0 HA MET A 1 12.945 -8.723 -3.068 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.953 -7.266 -1.082 1.00 13.77 H new ATOM 0 HB3 MET A 1 13.934 -6.539 -2.339 1.00 13.77 H new ATOM 0 HG2 MET A 1 12.006 -4.971 -2.920 1.00 16.29 H new ATOM 0 HG3 MET A 1 11.049 -5.686 -1.638 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.788 -2.231 -0.663 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.783 -3.469 -1.454 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.937 -3.447 0.319 1.00 16.11 H new ATOM 20 N GLN A 2 10.554 -8.583 -1.563 1.00 9.27 N ATOM 21 CA GLN A 2 9.222 -8.894 -1.155 1.00 9.07 C ATOM 22 C GLN A 2 8.655 -7.970 -0.086 1.00 8.72 C ATOM 23 O GLN A 2 9.347 -7.536 0.865 1.00 8.22 O ATOM 24 CB GLN A 2 9.183 -10.333 -0.539 1.00 14.46 C ATOM 25 CG GLN A 2 7.788 -10.893 -0.371 1.00 17.01 C ATOM 26 CD GLN A 2 7.697 -12.369 0.116 1.00 20.10 C ATOM 27 OE1 GLN A 2 7.859 -13.273 -0.650 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.462 -12.592 1.433 1.00 19.49 N ATOM 0 H GLN A 2 11.242 -8.770 -0.833 1.00 9.27 H new ATOM 0 HA GLN A 2 8.623 -8.789 -2.060 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.759 -11.005 -1.175 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.675 -10.314 0.433 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.249 -10.264 0.337 1.00 17.01 H new ATOM 0 HG3 GLN A 2 7.269 -10.814 -1.326 1.00 17.01 H new ATOM 0 HE21 GLN A 2 7.327 -11.805 2.067 1.00 19.49 H new ATOM 0 HE22 GLN A 2 7.420 -13.547 1.789 1.00 19.49 H new ATOM 37 N ILE A 3 7.366 -7.646 -0.124 1.00 5.87 N ATOM 38 CA ILE A 3 6.608 -6.927 0.938 1.00 5.07 C ATOM 39 C ILE A 3 5.351 -7.679 1.281 1.00 4.01 C ATOM 40 O ILE A 3 4.987 -8.668 0.633 1.00 4.61 O ATOM 41 CB ILE A 3 6.347 -5.427 0.692 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.501 -5.122 -0.558 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.697 -4.608 0.740 1.00 5.58 C ATOM 44 CD1 ILE A 3 5.110 -3.683 -0.808 1.00 10.83 C ATOM 0 H ILE A 3 6.780 -7.881 -0.925 1.00 5.87 H new ATOM 0 HA ILE A 3 7.273 -6.914 1.802 1.00 5.07 H new ATOM 0 HB ILE A 3 5.719 -5.088 1.516 1.00 6.55 H new ATOM 0 HG12 ILE A 3 6.051 -5.476 -1.430 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.587 -5.712 -0.496 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.489 -3.553 0.564 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.161 -4.728 1.719 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.374 -4.978 -0.030 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.518 -3.620 -1.721 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.521 -3.315 0.032 1.00 10.83 H new ATOM 0 HD13 ILE A 3 6.008 -3.075 -0.916 1.00 10.83 H new ATOM 56 N PHE A 4 4.641 -7.230 2.316 1.00 4.55 N ATOM 57 CA PHE A 4 3.323 -7.776 2.671 1.00 4.68 C ATOM 58 C PHE A 4 2.452 -6.609 2.896 1.00 5.30 C ATOM 59 O PHE A 4 2.814 -5.610 3.462 1.00 5.58 O ATOM 60 CB PHE A 4 3.260 -8.551 4.008 1.00 4.83 C ATOM 61 CG PHE A 4 4.181 -9.763 4.021 1.00 7.97 C ATOM 62 CD1 PHE A 4 3.887 -10.899 3.267 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.310 -9.786 4.858 1.00 8.34 C ATOM 64 CE1 PHE A 4 4.699 -12.047 3.346 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.121 -10.935 4.937 1.00 10.61 C ATOM 66 CZ PHE A 4 5.789 -12.053 4.171 1.00 8.90 C ATOM 0 H PHE A 4 4.958 -6.481 2.932 1.00 4.55 H new ATOM 0 HA PHE A 4 3.049 -8.461 1.869 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.532 -7.883 4.825 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.235 -8.875 4.189 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.026 -10.898 2.615 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.558 -8.915 5.446 1.00 8.34 H new ATOM 0 HE1 PHE A 4 4.461 -12.920 2.756 1.00 9.10 H new ATOM 0 HE2 PHE A 4 6.988 -10.950 5.581 1.00 10.61 H new ATOM 0 HZ PHE A 4 6.404 -12.939 4.231 1.00 8.90 H new ATOM 76 N VAL A 5 1.210 -6.757 2.369 1.00 4.44 N ATOM 77 CA VAL A 5 0.191 -5.806 2.758 1.00 3.87 C ATOM 78 C VAL A 5 -0.715 -6.549 3.725 1.00 4.93 C ATOM 79 O VAL A 5 -1.222 -7.675 3.438 1.00 6.84 O ATOM 80 CB VAL A 5 -0.733 -5.303 1.609 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.805 -4.435 2.236 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.065 -4.434 0.673 1.00 9.13 C ATOM 0 H VAL A 5 0.921 -7.485 1.715 1.00 4.44 H new ATOM 0 HA VAL A 5 0.707 -4.930 3.151 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.158 -6.148 1.067 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.473 -4.064 1.459 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.376 -5.024 2.954 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.338 -3.593 2.747 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.578 -4.080 -0.132 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.464 -3.580 1.221 1.00 9.13 H new ATOM 0 HG23 VAL A 5 0.888 -5.012 0.253 1.00 9.13 H new ATOM 92 N LYS A 6 -1.030 -5.989 4.892 1.00 6.04 N ATOM 93 CA LYS A 6 -1.916 -6.593 5.830 1.00 6.12 C ATOM 94 C LYS A 6 -3.086 -5.695 6.202 1.00 6.57 C ATOM 95 O LYS A 6 -2.916 -4.449 6.359 1.00 5.76 O ATOM 96 CB LYS A 6 -1.052 -7.027 7.033 1.00 7.45 C ATOM 97 CG LYS A 6 -1.731 -7.817 8.174 1.00 11.12 C ATOM 98 CD LYS A 6 -0.629 -8.305 9.134 1.00 14.54 C ATOM 99 CE LYS A 6 -1.084 -9.202 10.247 1.00 18.84 C ATOM 100 NZ LYS A 6 -0.036 -9.381 11.286 1.00 20.55 N ATOM 0 H LYS A 6 -0.660 -5.089 5.198 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.406 -7.464 5.396 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.231 -7.634 6.651 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -0.611 -6.130 7.467 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -2.445 -7.186 8.703 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -2.289 -8.663 7.773 1.00 11.12 H new ATOM 0 HD2 LYS A 6 0.126 -8.834 8.552 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -0.142 -7.433 9.571 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -1.980 -8.784 10.705 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -1.359 -10.175 9.839 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -0.393 -10.008 12.035 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 0.811 -9.804 10.856 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 0.209 -8.457 11.695 1.00 20.55 H new ATOM 114 N THR A 7 -4.295 -6.298 6.286 1.00 7.41 N ATOM 115 CA THR A 7 -5.581 -5.582 6.518 1.00 7.48 C ATOM 116 C THR A 7 -6.055 -5.560 7.944 1.00 8.75 C ATOM 117 O THR A 7 -5.489 -6.088 8.934 1.00 8.58 O ATOM 118 CB THR A 7 -6.709 -6.196 5.652 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.158 -7.457 6.125 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.194 -6.404 4.226 1.00 9.17 C ATOM 0 H THR A 7 -4.411 -7.307 6.194 1.00 7.41 H new ATOM 0 HA THR A 7 -5.365 -4.551 6.238 1.00 7.48 H new ATOM 0 HB THR A 7 -7.543 -5.496 5.696 1.00 9.61 H new ATOM 0 HG1 THR A 7 -7.869 -7.792 5.540 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.985 -6.836 3.613 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.891 -5.445 3.805 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.338 -7.079 4.243 1.00 9.17 H new ATOM 128 N LEU A 8 -7.142 -4.836 8.093 1.00 9.84 N ATOM 129 CA LEU A 8 -7.866 -4.645 9.323 1.00 14.15 C ATOM 130 C LEU A 8 -8.344 -5.948 9.987 1.00 17.37 C ATOM 131 O LEU A 8 -8.137 -6.197 11.192 1.00 17.01 O ATOM 132 CB LEU A 8 -9.117 -3.744 9.081 1.00 16.63 C ATOM 133 CG LEU A 8 -8.772 -2.255 8.761 1.00 18.88 C ATOM 134 CD1 LEU A 8 -9.922 -1.363 8.360 1.00 19.31 C ATOM 135 CD2 LEU A 8 -8.003 -1.565 9.879 1.00 18.59 C ATOM 0 H LEU A 8 -7.566 -4.337 7.311 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.152 -4.174 9.999 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -9.696 -4.158 8.256 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -9.753 -3.777 9.965 1.00 16.63 H new ATOM 0 HG LEU A 8 -8.145 -2.374 7.877 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -9.551 -0.357 8.165 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -10.392 -1.758 7.459 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -10.655 -1.330 9.166 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -7.794 -0.534 9.594 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -8.599 -1.576 10.791 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -7.064 -2.090 10.053 1.00 18.59 H new ATOM 147 N THR A 9 -8.842 -6.850 9.109 1.00 18.33 N ATOM 148 CA THR A 9 -9.455 -8.133 9.498 1.00 19.24 C ATOM 149 C THR A 9 -8.423 -9.268 9.523 1.00 19.48 C ATOM 150 O THR A 9 -8.739 -10.370 9.862 1.00 23.14 O ATOM 151 CB THR A 9 -10.678 -8.578 8.735 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.356 -8.643 7.335 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.759 -7.430 8.853 1.00 19.70 C ATOM 0 H THR A 9 -8.827 -6.701 8.100 1.00 18.33 H new ATOM 0 HA THR A 9 -9.824 -7.914 10.500 1.00 19.24 H new ATOM 0 HB THR A 9 -11.023 -9.537 9.121 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.145 -8.933 6.831 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.659 -7.720 8.311 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.004 -7.268 9.903 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.360 -6.509 8.427 1.00 19.70 H new ATOM 161 N GLY A 10 -7.162 -8.912 9.256 1.00 19.43 N ATOM 162 CA GLY A 10 -5.949 -9.673 9.449 1.00 18.74 C ATOM 163 C GLY A 10 -5.531 -10.421 8.185 1.00 17.62 C ATOM 164 O GLY A 10 -4.597 -11.225 8.188 1.00 19.74 O ATOM 0 H GLY A 10 -6.959 -7.993 8.862 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.146 -9.002 9.755 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -6.095 -10.386 10.260 1.00 18.74 H new ATOM 168 N LYS A 11 -6.194 -10.211 6.978 1.00 13.56 N ATOM 169 CA LYS A 11 -5.777 -10.795 5.718 1.00 11.91 C ATOM 170 C LYS A 11 -4.411 -10.378 5.319 1.00 10.18 C ATOM 171 O LYS A 11 -4.012 -9.238 5.537 1.00 9.10 O ATOM 172 CB LYS A 11 -6.782 -10.434 4.637 1.00 13.43 C ATOM 173 CG LYS A 11 -6.588 -11.148 3.316 1.00 16.69 C ATOM 174 CD LYS A 11 -7.735 -10.830 2.323 1.00 17.92 C ATOM 175 CE LYS A 11 -7.791 -11.883 1.203 1.00 20.81 C ATOM 176 NZ LYS A 11 -8.939 -11.662 0.335 1.00 21.93 N ATOM 0 H LYS A 11 -7.026 -9.626 6.898 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.744 -11.877 5.849 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.784 -10.652 5.007 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.734 -9.359 4.462 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.634 -10.852 2.878 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.541 -12.224 3.486 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.686 -10.806 2.854 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.585 -9.840 1.892 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -6.874 -11.843 0.616 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -7.847 -12.880 1.639 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -8.755 -12.082 -0.598 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -9.781 -12.105 0.754 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -9.102 -10.640 0.228 1.00 21.93 H new ATOM 190 N THR A 12 -3.640 -11.270 4.730 1.00 9.63 N ATOM 191 CA THR A 12 -2.282 -11.120 4.283 1.00 9.85 C ATOM 192 C THR A 12 -2.143 -11.207 2.780 1.00 11.66 C ATOM 193 O THR A 12 -2.526 -12.189 2.162 1.00 12.33 O ATOM 194 CB THR A 12 -1.174 -12.032 4.914 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.253 -11.843 6.314 1.00 10.91 O ATOM 196 CG2 THR A 12 0.204 -11.501 4.494 1.00 9.63 C ATOM 0 H THR A 12 -3.990 -12.208 4.537 1.00 9.63 H new ATOM 0 HA THR A 12 -2.085 -10.117 4.662 1.00 9.85 H new ATOM 0 HB THR A 12 -1.306 -13.070 4.608 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.577 -12.397 6.758 1.00 10.91 H new ATOM 0 HG21 THR A 12 0.983 -12.128 4.927 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.286 -11.520 3.407 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.323 -10.477 4.849 1.00 9.63 H new ATOM 204 N ILE A 13 -1.645 -10.126 2.095 1.00 10.42 N ATOM 205 CA ILE A 13 -1.231 -10.132 0.644 1.00 11.84 C ATOM 206 C ILE A 13 0.287 -10.051 0.474 1.00 10.55 C ATOM 207 O ILE A 13 0.898 -9.138 0.997 1.00 11.92 O ATOM 208 CB ILE A 13 -1.886 -8.965 -0.117 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.448 -9.089 -0.074 1.00 14.87 C ATOM 210 CG2 ILE A 13 -1.344 -8.936 -1.527 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.020 -8.085 0.871 1.00 16.46 C ATOM 0 H ILE A 13 -1.518 -9.216 2.537 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.572 -11.081 0.229 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.640 -8.016 0.360 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -3.860 -8.936 -1.072 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.732 -10.094 0.237 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -1.801 -8.113 -2.076 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -0.263 -8.797 -1.499 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -1.576 -9.877 -2.025 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.106 -8.182 0.891 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.621 -8.258 1.871 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -3.751 -7.081 0.542 1.00 16.46 H new ATOM 223 N THR A 14 0.900 -10.893 -0.372 1.00 9.39 N ATOM 224 CA THR A 14 2.374 -11.011 -0.499 1.00 9.63 C ATOM 225 C THR A 14 2.719 -10.509 -1.879 1.00 11.20 C ATOM 226 O THR A 14 2.293 -11.074 -2.851 1.00 11.63 O ATOM 227 CB THR A 14 2.705 -12.528 -0.412 1.00 10.38 C ATOM 228 OG1 THR A 14 2.247 -13.076 0.806 1.00 16.30 O ATOM 229 CG2 THR A 14 4.201 -12.742 -0.352 1.00 11.66 C ATOM 0 H THR A 14 0.389 -11.519 -0.995 1.00 9.39 H new ATOM 0 HA THR A 14 2.918 -10.455 0.264 1.00 9.63 H new ATOM 0 HB THR A 14 2.239 -12.987 -1.284 1.00 10.38 H new ATOM 0 HG1 THR A 14 2.874 -12.848 1.524 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.414 -13.809 -0.291 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.664 -12.330 -1.249 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.605 -12.241 0.528 1.00 11.66 H new ATOM 237 N LEU A 15 3.543 -9.451 -1.960 1.00 8.29 N ATOM 238 CA LEU A 15 3.942 -8.879 -3.236 1.00 9.03 C ATOM 239 C LEU A 15 5.446 -8.962 -3.376 1.00 8.59 C ATOM 240 O LEU A 15 6.244 -8.648 -2.461 1.00 7.79 O ATOM 241 CB LEU A 15 3.518 -7.449 -3.354 1.00 11.08 C ATOM 242 CG LEU A 15 2.018 -7.197 -3.191 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.779 -5.685 -3.205 1.00 15.88 C ATOM 244 CD2 LEU A 15 1.243 -7.941 -4.226 1.00 15.27 C ATOM 0 H LEU A 15 3.942 -8.980 -1.148 1.00 8.29 H new ATOM 0 HA LEU A 15 3.453 -9.448 -4.027 1.00 9.03 H new ATOM 0 HB2 LEU A 15 4.051 -6.866 -2.603 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.829 -7.074 -4.329 1.00 11.08 H new ATOM 0 HG LEU A 15 1.658 -7.580 -2.236 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.714 -5.484 -3.090 1.00 15.88 H new ATOM 0 HD12 LEU A 15 2.326 -5.222 -2.384 1.00 15.88 H new ATOM 0 HD13 LEU A 15 2.126 -5.270 -4.151 1.00 15.88 H new ATOM 0 HD21 LEU A 15 0.179 -7.748 -4.092 1.00 15.27 H new ATOM 0 HD22 LEU A 15 1.550 -7.610 -5.218 1.00 15.27 H new ATOM 0 HD23 LEU A 15 1.433 -9.009 -4.125 1.00 15.27 H new ATOM 256 N GLU A 16 5.929 -9.283 -4.619 1.00 11.04 N ATOM 257 CA GLU A 16 7.249 -9.074 -5.133 1.00 11.50 C ATOM 258 C GLU A 16 7.349 -7.681 -5.785 1.00 10.13 C ATOM 259 O GLU A 16 6.568 -7.396 -6.670 1.00 9.83 O ATOM 260 CB GLU A 16 7.659 -10.221 -6.103 1.00 17.22 C ATOM 261 CG GLU A 16 9.000 -10.106 -6.872 1.00 23.33 C ATOM 262 CD GLU A 16 10.220 -9.878 -6.019 1.00 26.99 C ATOM 263 OE1 GLU A 16 10.602 -10.767 -5.227 1.00 28.86 O ATOM 264 OE2 GLU A 16 10.903 -8.805 -6.175 1.00 28.90 O ATOM 0 H GLU A 16 5.327 -9.728 -5.312 1.00 11.04 H new ATOM 0 HA GLU A 16 7.961 -9.099 -4.309 1.00 11.50 H new ATOM 0 HB2 GLU A 16 7.687 -11.146 -5.527 1.00 17.22 H new ATOM 0 HB3 GLU A 16 6.864 -10.329 -6.841 1.00 17.22 H new ATOM 0 HG2 GLU A 16 9.147 -11.019 -7.449 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.920 -9.287 -7.587 1.00 23.33 H new ATOM 271 N VAL A 17 8.204 -6.791 -5.302 1.00 8.99 N ATOM 272 CA VAL A 17 8.248 -5.435 -5.601 1.00 8.85 C ATOM 273 C VAL A 17 9.706 -4.914 -5.682 1.00 8.04 C ATOM 274 O VAL A 17 10.640 -5.548 -5.191 1.00 8.99 O ATOM 275 CB VAL A 17 7.390 -4.474 -4.715 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.903 -4.884 -4.803 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.932 -4.614 -3.286 1.00 10.54 C ATOM 0 H VAL A 17 8.931 -7.059 -4.638 1.00 8.99 H new ATOM 0 HA VAL A 17 7.766 -5.401 -6.578 1.00 8.85 H new ATOM 0 HB VAL A 17 7.455 -3.437 -5.043 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.304 -4.215 -4.186 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.568 -4.819 -5.838 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.786 -5.908 -4.447 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.369 -3.963 -2.618 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.828 -5.648 -2.957 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.984 -4.331 -3.267 1.00 10.54 H new ATOM 287 N GLU A 18 9.935 -3.727 -6.289 1.00 7.29 N ATOM 288 CA GLU A 18 11.299 -3.047 -6.370 1.00 7.08 C ATOM 289 C GLU A 18 11.306 -1.773 -5.547 1.00 6.45 C ATOM 290 O GLU A 18 10.271 -1.101 -5.487 1.00 5.28 O ATOM 291 CB GLU A 18 11.761 -2.845 -7.798 1.00 10.28 C ATOM 292 CG GLU A 18 11.919 -4.171 -8.593 1.00 12.65 C ATOM 293 CD GLU A 18 12.980 -5.074 -8.086 1.00 14.15 C ATOM 294 OE1 GLU A 18 14.130 -4.948 -8.521 1.00 14.33 O ATOM 295 OE2 GLU A 18 12.703 -6.003 -7.312 1.00 18.17 O ATOM 0 H GLU A 18 9.195 -3.193 -6.744 1.00 7.29 H new ATOM 0 HA GLU A 18 12.039 -3.716 -5.930 1.00 7.08 H new ATOM 0 HB2 GLU A 18 11.047 -2.204 -8.315 1.00 10.28 H new ATOM 0 HB3 GLU A 18 12.716 -2.319 -7.791 1.00 10.28 H new ATOM 0 HG2 GLU A 18 10.968 -4.704 -8.577 1.00 12.65 H new ATOM 0 HG3 GLU A 18 12.132 -3.931 -9.635 1.00 12.65 H new ATOM 302 N PRO A 19 12.440 -1.352 -4.947 1.00 7.24 N ATOM 303 CA PRO A 19 12.611 -0.092 -4.259 1.00 7.07 C ATOM 304 C PRO A 19 12.156 1.183 -5.036 1.00 6.65 C ATOM 305 O PRO A 19 11.667 2.030 -4.345 1.00 6.37 O ATOM 306 CB PRO A 19 14.103 -0.024 -3.851 1.00 7.61 C ATOM 307 CG PRO A 19 14.603 -1.481 -3.887 1.00 8.16 C ATOM 308 CD PRO A 19 13.784 -2.067 -5.072 1.00 7.49 C ATOM 0 HA PRO A 19 11.941 -0.079 -3.400 1.00 7.07 H new ATOM 0 HB2 PRO A 19 14.670 0.603 -4.539 1.00 7.61 H new ATOM 0 HB3 PRO A 19 14.219 0.407 -2.857 1.00 7.61 H new ATOM 0 HG2 PRO A 19 15.677 -1.541 -4.063 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.403 -2.005 -2.953 1.00 8.16 H new ATOM 0 HD2 PRO A 19 14.261 -1.865 -6.031 1.00 7.49 H new ATOM 0 HD3 PRO A 19 13.675 -3.149 -4.992 1.00 7.49 H new ATOM 316 N SER A 20 12.276 1.286 -6.330 1.00 6.80 N ATOM 317 CA SER A 20 11.791 2.439 -7.109 1.00 6.28 C ATOM 318 C SER A 20 10.328 2.314 -7.494 1.00 8.45 C ATOM 319 O SER A 20 9.864 3.161 -8.215 1.00 7.26 O ATOM 320 CB SER A 20 12.559 2.614 -8.472 1.00 8.57 C ATOM 321 OG SER A 20 13.972 2.488 -8.252 1.00 11.13 O ATOM 0 H SER A 20 12.719 0.568 -6.903 1.00 6.80 H new ATOM 0 HA SER A 20 11.956 3.287 -6.444 1.00 6.28 H new ATOM 0 HB2 SER A 20 12.224 1.863 -9.188 1.00 8.57 H new ATOM 0 HB3 SER A 20 12.334 3.589 -8.904 1.00 8.57 H new ATOM 0 HG SER A 20 14.446 2.596 -9.103 1.00 11.13 H new ATOM 327 N ASP A 21 9.587 1.285 -7.081 1.00 7.50 N ATOM 328 CA ASP A 21 8.125 1.221 -7.244 1.00 7.70 C ATOM 329 C ASP A 21 7.457 2.232 -6.402 1.00 7.08 C ATOM 330 O ASP A 21 7.907 2.434 -5.257 1.00 8.11 O ATOM 331 CB ASP A 21 7.659 -0.240 -6.932 1.00 11.00 C ATOM 332 CG ASP A 21 7.875 -1.086 -8.183 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.684 -0.518 -9.296 1.00 18.03 O ATOM 334 OD2 ASP A 21 8.047 -2.342 -8.076 1.00 14.36 O ATOM 0 H ASP A 21 9.982 0.465 -6.621 1.00 7.50 H new ATOM 0 HA ASP A 21 7.843 1.460 -8.269 1.00 7.70 H new ATOM 0 HB2 ASP A 21 8.224 -0.649 -6.094 1.00 11.00 H new ATOM 0 HB3 ASP A 21 6.608 -0.250 -6.643 1.00 11.00 H new ATOM 339 N THR A 22 6.411 2.930 -6.868 1.00 5.37 N ATOM 340 CA THR A 22 5.679 4.008 -6.205 1.00 6.01 C ATOM 341 C THR A 22 4.604 3.442 -5.339 1.00 8.01 C ATOM 342 O THR A 22 4.246 2.257 -5.458 1.00 8.11 O ATOM 343 CB THR A 22 5.126 5.165 -7.084 1.00 8.92 C ATOM 344 OG1 THR A 22 4.226 4.696 -8.044 1.00 10.22 O ATOM 345 CG2 THR A 22 6.250 5.855 -7.780 1.00 9.65 C ATOM 0 H THR A 22 6.028 2.736 -7.793 1.00 5.37 H new ATOM 0 HA THR A 22 6.450 4.507 -5.618 1.00 6.01 H new ATOM 0 HB THR A 22 4.604 5.858 -6.424 1.00 8.92 H new ATOM 0 HG1 THR A 22 4.539 3.836 -8.393 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.856 6.665 -8.394 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.940 6.263 -7.041 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.777 5.142 -8.414 1.00 9.65 H new ATOM 353 N ILE A 23 4.073 4.248 -4.408 1.00 8.32 N ATOM 354 CA ILE A 23 3.055 3.702 -3.521 1.00 9.92 C ATOM 355 C ILE A 23 1.752 3.491 -4.307 1.00 10.01 C ATOM 356 O ILE A 23 0.896 2.627 -4.011 1.00 8.71 O ATOM 357 CB ILE A 23 2.916 4.615 -2.331 1.00 10.78 C ATOM 358 CG1 ILE A 23 4.256 4.865 -1.502 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.861 4.057 -1.400 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.936 3.573 -1.137 1.00 12.30 C ATOM 0 H ILE A 23 4.318 5.227 -4.258 1.00 8.32 H new ATOM 0 HA ILE A 23 3.336 2.721 -3.137 1.00 9.92 H new ATOM 0 HB ILE A 23 2.637 5.586 -2.740 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.937 5.481 -2.089 1.00 11.38 H new ATOM 0 HG13 ILE A 23 4.024 5.423 -0.595 1.00 11.38 H new ATOM 0 HG21 ILE A 23 1.755 4.713 -0.536 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.909 3.993 -1.926 1.00 10.90 H new ATOM 0 HG23 ILE A 23 2.159 3.063 -1.067 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.844 3.786 -0.573 1.00 12.30 H new ATOM 0 HD12 ILE A 23 4.265 2.968 -0.528 1.00 12.30 H new ATOM 0 HD13 ILE A 23 5.192 3.028 -2.045 1.00 12.30 H new ATOM 372 N GLU A 24 1.583 4.272 -5.364 1.00 9.54 N ATOM 373 CA GLU A 24 0.537 4.142 -6.338 1.00 11.81 C ATOM 374 C GLU A 24 0.510 2.743 -7.101 1.00 11.14 C ATOM 375 O GLU A 24 -0.550 2.162 -7.191 1.00 10.62 O ATOM 376 CB GLU A 24 0.587 5.362 -7.319 1.00 19.24 C ATOM 377 CG GLU A 24 -0.545 5.367 -8.398 1.00 27.76 C ATOM 378 CD GLU A 24 -0.324 6.560 -9.286 1.00 32.92 C ATOM 379 OE1 GLU A 24 0.607 6.514 -10.156 1.00 36.51 O ATOM 380 OE2 GLU A 24 -1.062 7.579 -9.167 1.00 34.80 O ATOM 0 H GLU A 24 2.211 5.050 -5.565 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.409 4.153 -5.796 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.524 6.283 -6.739 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.553 5.369 -7.823 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.522 4.446 -8.981 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -1.525 5.419 -7.924 1.00 27.76 H new ATOM 387 N ASN A 25 1.747 2.258 -7.537 1.00 9.43 N ATOM 388 CA ASN A 25 1.906 0.918 -8.052 1.00 10.96 C ATOM 389 C ASN A 25 1.372 -0.140 -7.067 1.00 9.68 C ATOM 390 O ASN A 25 0.766 -1.161 -7.414 1.00 9.33 O ATOM 391 CB ASN A 25 3.394 0.529 -8.408 1.00 16.78 C ATOM 392 CG ASN A 25 3.999 1.530 -9.418 1.00 22.31 C ATOM 393 OD1 ASN A 25 4.990 2.171 -9.110 1.00 25.66 O ATOM 394 ND2 ASN A 25 3.510 1.497 -10.684 1.00 24.70 N ATOM 0 H ASN A 25 2.607 2.806 -7.522 1.00 9.43 H new ATOM 0 HA ASN A 25 1.324 0.924 -8.974 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.997 0.513 -7.500 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.421 -0.477 -8.826 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.975 2.023 -11.424 1.00 24.70 H new ATOM 0 HD22 ASN A 25 2.678 0.946 -10.895 1.00 24.70 H new ATOM 401 N VAL A 26 1.642 0.062 -5.768 1.00 6.52 N ATOM 402 CA VAL A 26 1.197 -0.839 -4.743 1.00 5.53 C ATOM 403 C VAL A 26 -0.335 -0.912 -4.548 1.00 4.42 C ATOM 404 O VAL A 26 -0.906 -2.037 -4.366 1.00 3.40 O ATOM 405 CB VAL A 26 1.836 -0.482 -3.454 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.518 -1.443 -2.281 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.357 -0.608 -3.644 1.00 8.12 C ATOM 0 H VAL A 26 2.175 0.859 -5.419 1.00 6.52 H new ATOM 0 HA VAL A 26 1.498 -1.830 -5.083 1.00 5.53 H new ATOM 0 HB VAL A 26 1.464 0.512 -3.205 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.029 -1.101 -1.381 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.443 -1.458 -2.104 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.858 -2.448 -2.531 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.862 -0.352 -2.713 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.605 -1.632 -3.922 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.683 0.071 -4.432 1.00 8.12 H new ATOM 417 N LYS A 27 -0.992 0.223 -4.629 1.00 2.64 N ATOM 418 CA LYS A 27 -2.450 0.260 -4.706 1.00 4.14 C ATOM 419 C LYS A 27 -3.122 -0.315 -5.989 1.00 5.58 C ATOM 420 O LYS A 27 -4.168 -0.990 -5.986 1.00 4.11 O ATOM 421 CB LYS A 27 -3.028 1.686 -4.461 1.00 3.97 C ATOM 422 CG LYS A 27 -2.654 2.324 -3.089 1.00 7.45 C ATOM 423 CD LYS A 27 -3.283 3.709 -2.871 1.00 9.02 C ATOM 424 CE LYS A 27 -2.587 4.876 -3.773 1.00 12.90 C ATOM 425 NZ LYS A 27 -2.872 6.257 -3.284 1.00 15.47 N ATOM 0 H LYS A 27 -0.546 1.140 -4.644 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.708 -0.426 -3.899 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.680 2.344 -5.257 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.114 1.639 -4.538 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.973 1.658 -2.287 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.570 2.410 -3.020 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -4.346 3.660 -3.108 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -3.203 3.976 -1.817 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -1.508 4.719 -3.786 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.935 4.785 -4.802 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -2.888 6.914 -4.090 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.796 6.272 -2.806 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -2.131 6.548 -2.615 1.00 15.47 H new ATOM 439 N ALA A 28 -2.434 -0.201 -7.199 1.00 6.61 N ATOM 440 CA ALA A 28 -2.778 -0.856 -8.437 1.00 7.74 C ATOM 441 C ALA A 28 -2.702 -2.385 -8.442 1.00 9.17 C ATOM 442 O ALA A 28 -3.564 -3.090 -8.955 1.00 11.45 O ATOM 443 CB ALA A 28 -1.842 -0.341 -9.542 1.00 7.68 C ATOM 0 H ALA A 28 -1.602 0.382 -7.288 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.828 -0.611 -8.596 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.090 -0.828 -10.485 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -1.962 0.737 -9.647 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.809 -0.567 -9.278 1.00 7.68 H new ATOM 449 N LYS A 29 -1.696 -2.961 -7.747 1.00 8.96 N ATOM 450 CA LYS A 29 -1.583 -4.333 -7.385 1.00 7.90 C ATOM 451 C LYS A 29 -2.719 -4.837 -6.499 1.00 6.92 C ATOM 452 O LYS A 29 -3.246 -5.959 -6.711 1.00 6.87 O ATOM 453 CB LYS A 29 -0.235 -4.503 -6.630 1.00 10.28 C ATOM 454 CG LYS A 29 0.931 -4.245 -7.586 1.00 14.94 C ATOM 455 CD LYS A 29 2.187 -4.114 -6.704 1.00 19.69 C ATOM 456 CE LYS A 29 3.331 -3.635 -7.542 1.00 22.63 C ATOM 457 NZ LYS A 29 3.697 -4.614 -8.555 1.00 24.98 N ATOM 0 H LYS A 29 -0.901 -2.414 -7.416 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.632 -4.924 -8.300 1.00 7.90 H new ATOM 0 HB2 LYS A 29 -0.188 -3.810 -5.790 1.00 10.28 H new ATOM 0 HB3 LYS A 29 -0.163 -5.509 -6.218 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.039 -5.063 -8.298 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.766 -3.337 -8.166 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.001 -3.416 -5.888 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.430 -5.076 -6.252 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.062 -2.695 -8.024 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.191 -3.432 -6.904 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.608 -4.349 -8.980 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 3.780 -5.553 -8.116 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 2.965 -4.640 -9.293 1.00 24.98 H new ATOM 471 N ILE A 30 -3.139 -4.083 -5.481 1.00 4.57 N ATOM 472 CA ILE A 30 -4.168 -4.417 -4.638 1.00 5.58 C ATOM 473 C ILE A 30 -5.527 -4.380 -5.340 1.00 7.26 C ATOM 474 O ILE A 30 -6.385 -5.268 -5.226 1.00 9.46 O ATOM 475 CB ILE A 30 -4.268 -3.643 -3.365 1.00 5.36 C ATOM 476 CG1 ILE A 30 -3.103 -3.908 -2.407 1.00 2.94 C ATOM 477 CG2 ILE A 30 -5.664 -3.977 -2.624 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.896 -5.366 -1.969 1.00 2.00 C ATOM 0 H ILE A 30 -2.713 -3.184 -5.254 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.903 -5.435 -4.352 1.00 5.58 H new ATOM 0 HB ILE A 30 -4.225 -2.588 -3.637 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.185 -3.560 -2.881 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -3.250 -3.301 -1.514 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.729 -3.408 -1.696 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -6.495 -3.706 -3.275 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -5.711 -5.043 -2.400 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -2.043 -5.425 -1.293 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -3.790 -5.723 -1.457 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.708 -5.986 -2.846 1.00 2.00 H new ATOM 490 N GLN A 31 -5.749 -3.425 -6.252 1.00 7.06 N ATOM 491 CA GLN A 31 -6.866 -3.314 -7.151 1.00 8.67 C ATOM 492 C GLN A 31 -6.988 -4.627 -7.942 1.00 10.90 C ATOM 493 O GLN A 31 -8.074 -5.191 -8.037 1.00 9.63 O ATOM 494 CB GLN A 31 -6.739 -2.154 -8.201 1.00 9.12 C ATOM 495 CG GLN A 31 -8.083 -2.007 -9.017 1.00 10.76 C ATOM 496 CD GLN A 31 -8.021 -0.807 -9.952 1.00 13.78 C ATOM 497 OE1 GLN A 31 -6.939 -0.278 -10.118 1.00 14.48 O ATOM 498 NE2 GLN A 31 -9.120 -0.296 -10.574 1.00 14.76 N ATOM 0 H GLN A 31 -5.090 -2.657 -6.377 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.734 -3.100 -6.528 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.509 -1.217 -7.693 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.912 -2.359 -8.881 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.264 -2.914 -9.594 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.921 -1.894 -8.329 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -10.031 -0.734 -10.440 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -9.031 0.524 -11.174 1.00 14.76 H new ATOM 507 N ASP A 32 -5.885 -5.203 -8.505 1.00 10.93 N ATOM 508 CA ASP A 32 -5.881 -6.508 -9.140 1.00 14.01 C ATOM 509 C ASP A 32 -6.214 -7.695 -8.285 1.00 14.04 C ATOM 510 O ASP A 32 -7.028 -8.518 -8.614 1.00 13.39 O ATOM 511 CB ASP A 32 -4.516 -6.691 -9.835 1.00 18.01 C ATOM 512 CG ASP A 32 -4.371 -8.041 -10.488 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.713 -8.136 -11.700 1.00 25.17 O ATOM 514 OD2 ASP A 32 -3.783 -8.943 -9.805 1.00 26.29 O ATOM 0 H ASP A 32 -4.973 -4.747 -8.518 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.714 -6.495 -9.843 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -4.389 -5.913 -10.588 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.720 -6.559 -9.103 1.00 18.01 H new ATOM 519 N LYS A 33 -5.574 -7.818 -7.046 1.00 14.22 N ATOM 520 CA LYS A 33 -5.667 -8.986 -6.156 1.00 14.00 C ATOM 521 C LYS A 33 -6.992 -9.176 -5.529 1.00 12.37 C ATOM 522 O LYS A 33 -7.598 -10.273 -5.486 1.00 12.17 O ATOM 523 CB LYS A 33 -4.613 -8.961 -4.988 1.00 18.62 C ATOM 524 CG LYS A 33 -3.107 -9.176 -5.397 1.00 24.00 C ATOM 525 CD LYS A 33 -2.884 -10.557 -6.092 1.00 27.61 C ATOM 526 CE LYS A 33 -1.431 -10.962 -6.372 1.00 27.64 C ATOM 527 NZ LYS A 33 -1.280 -12.374 -6.823 1.00 30.06 N ATOM 0 H LYS A 33 -4.981 -7.080 -6.667 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.469 -9.813 -6.838 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.694 -8.002 -4.476 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.884 -9.732 -4.267 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.796 -8.377 -6.069 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.477 -9.110 -4.510 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -3.338 -11.328 -5.470 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -3.424 -10.552 -7.039 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -1.019 -10.300 -7.134 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.841 -10.813 -5.468 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -0.275 -12.578 -6.993 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.644 -13.014 -6.088 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.816 -12.517 -7.703 1.00 30.06 H new ATOM 541 N GLU A 34 -7.534 -7.994 -5.117 1.00 10.11 N ATOM 542 CA GLU A 34 -8.672 -7.926 -4.226 1.00 10.07 C ATOM 543 C GLU A 34 -9.825 -7.212 -4.799 1.00 9.32 C ATOM 544 O GLU A 34 -10.945 -7.295 -4.248 1.00 11.61 O ATOM 545 CB GLU A 34 -8.281 -7.161 -2.963 1.00 14.77 C ATOM 546 CG GLU A 34 -7.410 -7.955 -1.931 1.00 18.75 C ATOM 547 CD GLU A 34 -7.973 -9.295 -1.540 1.00 22.28 C ATOM 548 OE1 GLU A 34 -9.126 -9.253 -1.040 1.00 21.95 O ATOM 549 OE2 GLU A 34 -7.314 -10.384 -1.626 1.00 25.19 O ATOM 0 H GLU A 34 -7.179 -7.082 -5.405 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.957 -8.960 -4.030 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.736 -6.264 -3.258 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -9.192 -6.830 -2.464 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.415 -8.102 -2.351 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -7.291 -7.349 -1.033 1.00 18.75 H new ATOM 556 N GLY A 35 -9.683 -6.553 -5.965 1.00 7.22 N ATOM 557 CA GLY A 35 -10.815 -6.025 -6.774 1.00 6.29 C ATOM 558 C GLY A 35 -11.162 -4.665 -6.286 1.00 6.93 C ATOM 559 O GLY A 35 -12.172 -4.062 -6.706 1.00 7.41 O ATOM 0 H GLY A 35 -8.771 -6.367 -6.382 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.540 -5.989 -7.828 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.678 -6.686 -6.692 1.00 6.29 H new ATOM 563 N ILE A 36 -10.396 -4.157 -5.336 1.00 5.86 N ATOM 564 CA ILE A 36 -10.593 -2.939 -4.568 1.00 6.07 C ATOM 565 C ILE A 36 -10.081 -1.683 -5.298 1.00 6.36 C ATOM 566 O ILE A 36 -8.842 -1.582 -5.278 1.00 6.18 O ATOM 567 CB ILE A 36 -10.022 -2.966 -3.105 1.00 7.47 C ATOM 568 CG1 ILE A 36 -10.622 -4.198 -2.308 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.501 -1.625 -2.432 1.00 7.36 C ATOM 570 CD1 ILE A 36 -10.125 -4.439 -0.866 1.00 9.49 C ATOM 0 H ILE A 36 -9.538 -4.633 -5.056 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.678 -2.887 -4.475 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.936 -3.061 -3.104 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.705 -4.078 -2.272 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -10.420 -5.100 -2.886 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -10.135 -1.582 -1.406 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -10.110 -0.776 -2.993 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.590 -1.588 -2.430 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -10.624 -5.315 -0.451 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -9.048 -4.605 -0.875 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -10.352 -3.567 -0.252 1.00 9.49 H new ATOM 582 N PRO A 37 -10.836 -0.705 -5.833 1.00 8.65 N ATOM 583 CA PRO A 37 -10.284 0.559 -6.320 1.00 9.18 C ATOM 584 C PRO A 37 -9.201 1.291 -5.459 1.00 9.85 C ATOM 585 O PRO A 37 -9.431 1.392 -4.257 1.00 8.51 O ATOM 586 CB PRO A 37 -11.581 1.456 -6.492 1.00 11.42 C ATOM 587 CG PRO A 37 -12.756 0.538 -6.710 1.00 9.27 C ATOM 588 CD PRO A 37 -12.304 -0.714 -5.902 1.00 8.33 C ATOM 0 HA PRO A 37 -9.700 0.363 -7.219 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.738 2.073 -5.607 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.466 2.135 -7.337 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.686 0.961 -6.331 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.915 0.314 -7.765 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.733 -0.696 -4.900 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.657 -1.626 -6.383 1.00 8.33 H new ATOM 596 N PRO A 38 -8.099 1.775 -5.968 1.00 8.71 N ATOM 597 CA PRO A 38 -7.219 2.645 -5.243 1.00 9.08 C ATOM 598 C PRO A 38 -7.805 3.902 -4.637 1.00 9.28 C ATOM 599 O PRO A 38 -7.266 4.296 -3.594 1.00 6.50 O ATOM 600 CB PRO A 38 -6.117 2.992 -6.273 1.00 10.31 C ATOM 601 CG PRO A 38 -6.070 1.795 -7.149 1.00 10.81 C ATOM 602 CD PRO A 38 -7.523 1.405 -7.218 1.00 12.00 C ATOM 0 HA PRO A 38 -6.883 2.124 -4.347 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.364 3.892 -6.836 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.157 3.172 -5.788 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.661 2.025 -8.133 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.454 1.002 -6.725 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.023 1.914 -8.042 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.630 0.334 -7.393 1.00 12.00 H new ATOM 610 N ASP A 39 -8.957 4.415 -5.143 1.00 11.20 N ATOM 611 CA ASP A 39 -9.710 5.357 -4.425 1.00 14.96 C ATOM 612 C ASP A 39 -10.327 4.802 -3.055 1.00 13.99 C ATOM 613 O ASP A 39 -10.666 5.595 -2.147 1.00 13.75 O ATOM 614 CB ASP A 39 -10.946 5.915 -5.137 1.00 24.16 C ATOM 615 CG ASP A 39 -10.514 6.632 -6.370 1.00 31.06 C ATOM 616 OD1 ASP A 39 -10.310 5.987 -7.431 1.00 35.55 O ATOM 617 OD2 ASP A 39 -10.250 7.881 -6.283 1.00 34.22 O ATOM 0 H ASP A 39 -9.347 4.162 -6.051 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.944 6.120 -4.284 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -11.631 5.106 -5.392 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -11.486 6.593 -4.477 1.00 24.16 H new ATOM 622 N GLN A 40 -10.538 3.513 -2.854 1.00 11.60 N ATOM 623 CA GLN A 40 -11.032 3.028 -1.521 1.00 10.76 C ATOM 624 C GLN A 40 -9.888 2.487 -0.670 1.00 8.01 C ATOM 625 O GLN A 40 -10.134 1.992 0.361 1.00 8.96 O ATOM 626 CB GLN A 40 -12.161 1.902 -1.692 1.00 11.14 C ATOM 627 CG GLN A 40 -13.376 2.371 -2.531 1.00 14.85 C ATOM 628 CD GLN A 40 -14.527 1.385 -2.441 1.00 16.11 C ATOM 629 OE1 GLN A 40 -14.946 0.847 -3.484 1.00 20.52 O ATOM 630 NE2 GLN A 40 -15.116 1.118 -1.276 1.00 18.16 N ATOM 0 H GLN A 40 -10.390 2.784 -3.552 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.470 3.886 -1.011 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.720 1.024 -2.164 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -12.507 1.593 -0.706 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.705 3.349 -2.181 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.077 2.489 -3.572 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.776 1.556 -0.420 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.907 0.475 -1.240 1.00 18.16 H new ATOM 639 N GLN A 41 -8.621 2.624 -1.069 1.00 6.52 N ATOM 640 CA GLN A 41 -7.485 2.159 -0.323 1.00 3.87 C ATOM 641 C GLN A 41 -6.595 3.284 0.204 1.00 4.79 C ATOM 642 O GLN A 41 -6.152 4.140 -0.582 1.00 6.34 O ATOM 643 CB GLN A 41 -6.534 1.331 -1.253 1.00 4.20 C ATOM 644 CG GLN A 41 -7.174 0.122 -1.896 1.00 3.20 C ATOM 645 CD GLN A 41 -6.076 -0.417 -2.840 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.870 -0.363 -2.499 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.432 -0.645 -4.118 1.00 7.13 N ATOM 0 H GLN A 41 -8.367 3.077 -1.947 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.913 1.589 0.501 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.156 1.986 -2.038 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.674 1.003 -0.670 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.463 -0.621 -1.152 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -8.077 0.391 -2.445 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.419 -0.685 -4.373 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.715 -0.778 -4.831 1.00 7.13 H new ATOM 656 N ARG A 42 -6.403 3.262 1.487 1.00 5.73 N ATOM 657 CA ARG A 42 -5.421 4.075 2.195 1.00 6.97 C ATOM 658 C ARG A 42 -4.315 3.202 2.723 1.00 7.15 C ATOM 659 O ARG A 42 -4.571 2.073 3.169 1.00 7.33 O ATOM 660 CB ARG A 42 -6.036 4.816 3.391 1.00 13.23 C ATOM 661 CG ARG A 42 -7.233 5.737 2.889 1.00 21.27 C ATOM 662 CD ARG A 42 -7.919 6.545 4.050 1.00 26.14 C ATOM 663 NE ARG A 42 -8.643 7.751 3.438 1.00 32.26 N ATOM 664 CZ ARG A 42 -8.857 8.881 4.115 1.00 34.32 C ATOM 665 NH1 ARG A 42 -8.920 8.812 5.474 1.00 35.30 N ATOM 666 NH2 ARG A 42 -8.992 10.097 3.540 1.00 36.39 N ATOM 0 H ARG A 42 -6.940 2.658 2.109 1.00 5.73 H new ATOM 0 HA ARG A 42 -5.044 4.804 1.478 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.399 4.100 4.128 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.278 5.424 3.884 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.857 6.435 2.141 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.980 5.115 2.397 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -8.625 5.912 4.587 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -7.174 6.877 4.773 1.00 26.14 H new ATOM 0 HE ARG A 42 -8.974 7.687 2.475 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -8.805 7.915 5.945 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -9.082 9.658 6.021 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -8.932 10.191 2.526 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -9.154 10.920 4.120 1.00 36.39 H new ATOM 680 N LEU A 43 -3.042 3.728 2.741 1.00 4.65 N ATOM 681 CA LEU A 43 -1.896 2.932 3.070 1.00 3.51 C ATOM 682 C LEU A 43 -1.197 3.703 4.212 1.00 5.56 C ATOM 683 O LEU A 43 -0.836 4.881 4.144 1.00 4.19 O ATOM 684 CB LEU A 43 -0.790 2.628 1.960 1.00 3.74 C ATOM 685 CG LEU A 43 -1.199 1.390 1.114 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.200 1.232 -0.020 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.228 0.107 1.916 1.00 6.41 C ATOM 0 H LEU A 43 -2.828 4.702 2.526 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.293 1.940 3.283 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.668 3.496 1.312 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.174 2.449 2.437 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.210 1.564 0.746 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.471 0.367 -0.626 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.210 2.128 -0.641 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.799 1.088 0.392 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -1.521 -0.720 1.269 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.238 -0.087 2.328 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -1.947 0.203 2.730 1.00 6.41 H new ATOM 699 N ILE A 44 -1.047 3.030 5.344 1.00 4.58 N ATOM 700 CA ILE A 44 -0.396 3.460 6.532 1.00 5.55 C ATOM 701 C ILE A 44 0.829 2.603 6.768 1.00 5.46 C ATOM 702 O ILE A 44 0.880 1.379 6.751 1.00 6.04 O ATOM 703 CB ILE A 44 -1.278 3.456 7.802 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.688 4.037 7.509 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.658 4.216 9.004 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.729 5.523 6.995 1.00 13.90 C ATOM 0 H ILE A 44 -1.419 2.085 5.443 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.133 4.504 6.363 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.353 2.407 8.087 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -3.173 3.403 6.767 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.282 3.972 8.420 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.337 4.167 9.855 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.294 3.758 9.273 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.494 5.258 8.730 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.764 5.821 6.824 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.281 6.179 7.742 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.170 5.601 6.062 1.00 13.90 H new ATOM 718 N PHE A 45 1.932 3.342 7.006 1.00 6.75 N ATOM 719 CA PHE A 45 3.244 2.834 7.360 1.00 4.70 C ATOM 720 C PHE A 45 4.007 3.919 8.135 1.00 6.34 C ATOM 721 O PHE A 45 4.090 5.124 7.802 1.00 5.45 O ATOM 722 CB PHE A 45 4.011 2.438 6.113 1.00 5.51 C ATOM 723 CG PHE A 45 5.247 1.748 6.291 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.327 0.370 6.303 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.458 2.498 6.293 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.593 -0.253 6.240 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.678 1.894 6.356 1.00 6.64 C ATOM 728 CZ PHE A 45 7.787 0.477 6.342 1.00 6.84 C ATOM 0 H PHE A 45 1.915 4.360 6.950 1.00 6.75 H new ATOM 0 HA PHE A 45 3.135 1.948 7.986 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.361 1.811 5.503 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.211 3.343 5.539 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.429 -0.227 6.360 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.408 3.576 6.243 1.00 5.87 H new ATOM 0 HE1 PHE A 45 6.644 -1.324 6.109 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.571 2.498 6.417 1.00 6.64 H new ATOM 0 HZ PHE A 45 8.746 -0.016 6.407 1.00 6.84 H new ATOM 738 N ALA A 46 4.598 3.526 9.290 1.00 6.53 N ATOM 739 CA ALA A 46 5.286 4.423 10.210 1.00 7.15 C ATOM 740 C ALA A 46 4.497 5.586 10.817 1.00 9.00 C ATOM 741 O ALA A 46 5.123 6.665 11.088 1.00 11.15 O ATOM 742 CB ALA A 46 6.575 4.882 9.608 1.00 8.99 C ATOM 0 H ALA A 46 4.602 2.555 9.601 1.00 6.53 H new ATOM 0 HA ALA A 46 5.458 3.801 11.088 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.083 5.552 10.302 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.210 4.019 9.406 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.374 5.410 8.676 1.00 8.99 H new ATOM 748 N GLY A 47 3.131 5.410 10.949 1.00 9.35 N ATOM 749 CA GLY A 47 2.158 6.371 11.441 1.00 11.68 C ATOM 750 C GLY A 47 1.727 7.423 10.407 1.00 11.14 C ATOM 751 O GLY A 47 1.005 8.434 10.582 1.00 13.93 O ATOM 0 H GLY A 47 2.689 4.528 10.689 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.274 5.832 11.783 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.576 6.882 12.308 1.00 11.68 H new ATOM 755 N LYS A 48 2.383 7.217 9.276 1.00 10.47 N ATOM 756 CA LYS A 48 2.286 8.188 8.158 1.00 8.82 C ATOM 757 C LYS A 48 1.246 7.663 7.174 1.00 7.68 C ATOM 758 O LYS A 48 1.213 6.522 6.833 1.00 6.47 O ATOM 759 CB LYS A 48 3.619 8.306 7.369 1.00 9.74 C ATOM 760 CG LYS A 48 4.872 8.833 8.162 1.00 14.14 C ATOM 761 CD LYS A 48 6.184 8.773 7.353 1.00 16.32 C ATOM 762 CE LYS A 48 7.468 8.827 8.178 1.00 20.04 C ATOM 763 NZ LYS A 48 8.631 8.741 7.386 1.00 23.92 N ATOM 0 H LYS A 48 2.980 6.410 9.093 1.00 10.47 H new ATOM 0 HA LYS A 48 2.032 9.161 8.579 1.00 8.82 H new ATOM 0 HB2 LYS A 48 3.862 7.323 6.965 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.453 8.968 6.519 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.691 9.863 8.469 1.00 14.14 H new ATOM 0 HG3 LYS A 48 4.989 8.245 9.072 1.00 14.14 H new ATOM 0 HD2 LYS A 48 6.188 7.854 6.767 1.00 16.32 H new ATOM 0 HD3 LYS A 48 6.192 9.602 6.645 1.00 16.32 H new ATOM 0 HE2 LYS A 48 7.490 9.756 8.747 1.00 20.04 H new ATOM 0 HE3 LYS A 48 7.465 8.011 8.900 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 9.471 8.783 7.997 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 8.628 7.843 6.862 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 8.653 9.534 6.714 1.00 23.92 H new ATOM 777 N GLN A 49 0.411 8.561 6.599 1.00 8.89 N ATOM 778 CA GLN A 49 -0.524 8.155 5.572 1.00 7.18 C ATOM 779 C GLN A 49 0.066 8.463 4.249 1.00 8.23 C ATOM 780 O GLN A 49 0.560 9.565 4.008 1.00 9.70 O ATOM 781 CB GLN A 49 -1.906 8.813 5.693 1.00 11.67 C ATOM 782 CG GLN A 49 -2.923 8.213 4.686 1.00 15.82 C ATOM 783 CD GLN A 49 -4.310 8.612 5.121 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.667 8.313 6.293 1.00 23.23 O ATOM 785 NE2 GLN A 49 -5.063 9.195 4.222 1.00 20.67 N ATOM 0 H GLN A 49 0.380 9.552 6.837 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.693 7.085 5.694 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -2.282 8.685 6.708 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.814 9.885 5.520 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.721 8.578 3.679 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.832 7.127 4.656 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -4.687 9.399 3.296 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -6.026 9.445 4.448 1.00 20.67 H new ATOM 794 N LEU A 50 0.231 7.406 3.421 1.00 6.51 N ATOM 795 CA LEU A 50 1.256 7.525 2.429 1.00 7.41 C ATOM 796 C LEU A 50 0.752 8.217 1.137 1.00 8.27 C ATOM 797 O LEU A 50 -0.414 8.074 0.753 1.00 8.34 O ATOM 798 CB LEU A 50 1.903 6.219 1.961 1.00 7.13 C ATOM 799 CG LEU A 50 2.472 5.326 3.097 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.183 4.138 2.415 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.395 5.950 4.124 1.00 9.11 C ATOM 0 H LEU A 50 -0.300 6.535 3.433 1.00 6.51 H new ATOM 0 HA LEU A 50 2.000 8.114 2.966 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.164 5.644 1.403 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.710 6.458 1.268 1.00 7.13 H new ATOM 0 HG LEU A 50 1.608 5.059 3.706 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.601 3.479 3.176 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.466 3.584 1.809 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.985 4.511 1.778 1.00 8.14 H new ATOM 0 HD21 LEU A 50 3.702 5.193 4.845 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.276 6.353 3.624 1.00 9.11 H new ATOM 0 HD23 LEU A 50 2.872 6.754 4.642 1.00 9.11 H new ATOM 813 N GLU A 51 1.654 8.968 0.434 1.00 9.43 N ATOM 814 CA GLU A 51 1.477 9.653 -0.841 1.00 11.90 C ATOM 815 C GLU A 51 1.389 8.650 -2.039 1.00 11.49 C ATOM 816 O GLU A 51 1.633 7.456 -1.844 1.00 9.88 O ATOM 817 CB GLU A 51 2.510 10.778 -1.050 1.00 16.56 C ATOM 818 CG GLU A 51 2.571 11.843 0.138 1.00 26.06 C ATOM 819 CD GLU A 51 3.556 12.997 -0.104 1.00 29.86 C ATOM 820 OE1 GLU A 51 4.042 13.131 -1.295 1.00 33.44 O ATOM 821 OE2 GLU A 51 3.795 13.768 0.826 1.00 32.13 O ATOM 0 H GLU A 51 2.598 9.108 0.795 1.00 9.43 H new ATOM 0 HA GLU A 51 0.510 10.154 -0.806 1.00 11.90 H new ATOM 0 HB2 GLU A 51 3.497 10.331 -1.173 1.00 16.56 H new ATOM 0 HB3 GLU A 51 2.279 11.300 -1.979 1.00 16.56 H new ATOM 0 HG2 GLU A 51 1.574 12.257 0.292 1.00 26.06 H new ATOM 0 HG3 GLU A 51 2.849 11.329 1.058 1.00 26.06 H new ATOM 828 N ASP A 52 0.979 9.109 -3.242 1.00 12.71 N ATOM 829 CA ASP A 52 0.895 8.242 -4.479 1.00 16.56 C ATOM 830 C ASP A 52 2.245 8.032 -5.195 1.00 15.83 C ATOM 831 O ASP A 52 2.666 6.968 -5.530 1.00 17.21 O ATOM 832 CB ASP A 52 -0.023 8.970 -5.491 1.00 21.05 C ATOM 833 CG ASP A 52 -1.507 8.919 -5.022 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.172 7.916 -5.227 1.00 28.37 O ATOM 835 OD2 ASP A 52 -1.921 9.881 -4.355 1.00 25.82 O ATOM 0 H ASP A 52 0.696 10.076 -3.401 1.00 12.71 H new ATOM 0 HA ASP A 52 0.532 7.266 -4.156 1.00 16.56 H new ATOM 0 HB2 ASP A 52 0.295 10.007 -5.597 1.00 21.05 H new ATOM 0 HB3 ASP A 52 0.070 8.506 -6.473 1.00 21.05 H new ATOM 840 N GLY A 53 2.911 9.111 -5.524 1.00 15.00 N ATOM 841 CA GLY A 53 4.214 9.254 -6.255 1.00 11.77 C ATOM 842 C GLY A 53 5.477 8.958 -5.507 1.00 11.10 C ATOM 843 O GLY A 53 6.535 8.753 -6.177 1.00 11.25 O ATOM 0 H GLY A 53 2.541 10.028 -5.274 1.00 15.00 H new ATOM 0 HA2 GLY A 53 4.181 8.600 -7.126 1.00 11.77 H new ATOM 0 HA3 GLY A 53 4.278 10.277 -6.626 1.00 11.77 H new ATOM 847 N ARG A 54 5.460 8.861 -4.195 1.00 8.53 N ATOM 848 CA ARG A 54 6.596 8.422 -3.374 1.00 9.05 C ATOM 849 C ARG A 54 6.893 6.996 -3.675 1.00 8.96 C ATOM 850 O ARG A 54 5.976 6.203 -3.866 1.00 11.60 O ATOM 851 CB ARG A 54 6.434 8.667 -1.905 1.00 7.97 C ATOM 852 CG ARG A 54 6.147 10.138 -1.497 1.00 9.62 C ATOM 853 CD ARG A 54 7.337 11.079 -1.696 1.00 12.20 C ATOM 854 NE ARG A 54 6.834 12.457 -1.506 1.00 18.23 N ATOM 855 CZ ARG A 54 7.646 13.531 -1.733 1.00 22.08 C ATOM 856 NH1 ARG A 54 8.832 13.399 -2.381 1.00 25.50 N ATOM 857 NH2 ARG A 54 7.277 14.738 -1.306 1.00 23.38 N ATOM 0 H ARG A 54 4.634 9.090 -3.641 1.00 8.53 H new ATOM 0 HA ARG A 54 7.449 9.043 -3.648 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.620 8.042 -1.538 1.00 7.97 H new ATOM 0 HB3 ARG A 54 7.341 8.339 -1.398 1.00 7.97 H new ATOM 0 HG2 ARG A 54 5.302 10.508 -2.078 1.00 9.62 H new ATOM 0 HG3 ARG A 54 5.848 10.163 -0.449 1.00 9.62 H new ATOM 0 HD2 ARG A 54 8.129 10.856 -0.981 1.00 12.20 H new ATOM 0 HD3 ARG A 54 7.763 10.958 -2.692 1.00 12.20 H new ATOM 0 HE ARG A 54 5.872 12.606 -1.203 1.00 18.23 H new ATOM 0 HH11 ARG A 54 9.134 12.482 -2.710 1.00 25.50 H new ATOM 0 HH12 ARG A 54 9.421 14.217 -2.538 1.00 25.50 H new ATOM 0 HH21 ARG A 54 6.392 14.856 -0.812 1.00 23.38 H new ATOM 0 HH22 ARG A 54 7.879 15.544 -1.473 1.00 23.38 H new ATOM 871 N THR A 55 8.214 6.531 -3.565 1.00 9.05 N ATOM 872 CA THR A 55 8.546 5.146 -3.776 1.00 9.03 C ATOM 873 C THR A 55 8.754 4.388 -2.451 1.00 8.15 C ATOM 874 O THR A 55 8.748 5.047 -1.430 1.00 5.91 O ATOM 875 CB THR A 55 9.905 4.968 -4.542 1.00 11.15 C ATOM 876 OG1 THR A 55 11.000 5.548 -3.857 1.00 11.95 O ATOM 877 CG2 THR A 55 9.767 5.676 -5.880 1.00 11.71 C ATOM 0 H THR A 55 9.010 7.125 -3.334 1.00 9.05 H new ATOM 0 HA THR A 55 7.702 4.755 -4.345 1.00 9.03 H new ATOM 0 HB THR A 55 10.102 3.901 -4.641 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.854 6.513 -3.764 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.695 5.574 -6.443 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.949 5.230 -6.445 1.00 11.71 H new ATOM 0 HG23 THR A 55 9.558 6.733 -5.713 1.00 11.71 H new ATOM 885 N LEU A 56 8.965 3.094 -2.496 1.00 6.91 N ATOM 886 CA LEU A 56 9.332 2.253 -1.356 1.00 8.29 C ATOM 887 C LEU A 56 10.652 2.710 -0.671 1.00 8.05 C ATOM 888 O LEU A 56 10.833 2.739 0.561 1.00 10.17 O ATOM 889 CB LEU A 56 9.504 0.767 -1.743 1.00 6.60 C ATOM 890 CG LEU A 56 8.215 -0.023 -1.712 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.173 0.323 -2.757 1.00 9.85 C ATOM 892 CD2 LEU A 56 8.566 -1.462 -1.940 1.00 8.64 C ATOM 0 H LEU A 56 8.884 2.564 -3.364 1.00 6.91 H new ATOM 0 HA LEU A 56 8.498 2.363 -0.663 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.931 0.709 -2.744 1.00 6.60 H new ATOM 0 HB3 LEU A 56 10.220 0.304 -1.063 1.00 6.60 H new ATOM 0 HG LEU A 56 7.768 0.212 -0.746 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.299 -0.315 -2.625 1.00 9.85 H new ATOM 0 HD12 LEU A 56 6.880 1.367 -2.647 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.589 0.166 -3.752 1.00 9.85 H new ATOM 0 HD21 LEU A 56 7.658 -2.065 -1.924 1.00 8.64 H new ATOM 0 HD22 LEU A 56 9.055 -1.568 -2.908 1.00 8.64 H new ATOM 0 HD23 LEU A 56 9.240 -1.801 -1.154 1.00 8.64 H new ATOM 904 N SER A 57 11.585 3.041 -1.557 1.00 8.92 N ATOM 905 CA SER A 57 12.885 3.555 -1.138 1.00 9.00 C ATOM 906 C SER A 57 12.830 4.908 -0.371 1.00 9.44 C ATOM 907 O SER A 57 13.625 5.057 0.525 1.00 10.91 O ATOM 908 CB SER A 57 13.896 3.757 -2.294 1.00 10.32 C ATOM 909 OG SER A 57 13.617 4.803 -3.202 1.00 13.59 O ATOM 0 H SER A 57 11.467 2.963 -2.567 1.00 8.92 H new ATOM 0 HA SER A 57 13.221 2.759 -0.474 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.879 3.936 -1.859 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.961 2.826 -2.857 1.00 10.32 H new ATOM 0 HG SER A 57 12.647 4.915 -3.283 1.00 13.59 H new ATOM 915 N ASP A 58 11.843 5.762 -0.681 1.00 9.11 N ATOM 916 CA ASP A 58 11.664 7.066 -0.026 1.00 7.91 C ATOM 917 C ASP A 58 11.096 6.922 1.440 1.00 9.12 C ATOM 918 O ASP A 58 11.420 7.707 2.374 1.00 8.61 O ATOM 919 CB ASP A 58 10.736 7.984 -0.839 1.00 8.41 C ATOM 920 CG ASP A 58 11.250 8.274 -2.221 1.00 11.50 C ATOM 921 OD1 ASP A 58 12.458 8.612 -2.374 1.00 10.05 O ATOM 922 OD2 ASP A 58 10.449 8.203 -3.207 1.00 11.70 O ATOM 0 H ASP A 58 11.143 5.566 -1.397 1.00 9.11 H new ATOM 0 HA ASP A 58 12.656 7.515 0.028 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.752 7.520 -0.914 1.00 8.41 H new ATOM 0 HB3 ASP A 58 10.605 8.924 -0.303 1.00 8.41 H new ATOM 927 N TYR A 59 10.204 5.917 1.583 1.00 7.97 N ATOM 928 CA TYR A 59 9.612 5.721 2.836 1.00 8.45 C ATOM 929 C TYR A 59 10.312 4.679 3.672 1.00 10.98 C ATOM 930 O TYR A 59 9.847 4.269 4.729 1.00 12.95 O ATOM 931 CB TYR A 59 8.060 5.240 2.602 1.00 7.94 C ATOM 932 CG TYR A 59 7.136 6.368 2.412 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.972 7.317 3.481 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.304 6.512 1.274 1.00 6.98 C ATOM 935 CE1 TYR A 59 6.086 8.385 3.429 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.385 7.586 1.259 1.00 6.52 C ATOM 937 CZ TYR A 59 5.202 8.453 2.321 1.00 6.76 C ATOM 938 OH TYR A 59 4.134 9.322 2.233 1.00 7.63 O ATOM 0 H TYR A 59 9.914 5.272 0.848 1.00 7.97 H new ATOM 0 HA TYR A 59 9.677 6.665 3.377 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.014 4.588 1.730 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.734 4.650 3.459 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.570 7.192 4.372 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.370 5.823 0.445 1.00 6.98 H new ATOM 0 HE1 TYR A 59 6.070 9.137 4.204 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.793 7.738 0.369 1.00 6.52 H new ATOM 0 HH TYR A 59 4.455 10.209 1.967 1.00 7.63 H new ATOM 948 N ASN A 60 11.518 4.219 3.134 1.00 12.38 N ATOM 949 CA ASN A 60 12.204 3.202 3.922 1.00 13.94 C ATOM 950 C ASN A 60 11.505 1.934 4.111 1.00 14.16 C ATOM 951 O ASN A 60 11.528 1.222 5.112 1.00 14.26 O ATOM 952 CB ASN A 60 12.971 3.695 5.157 1.00 19.23 C ATOM 953 CG ASN A 60 14.068 4.669 4.951 1.00 22.65 C ATOM 954 OD1 ASN A 60 13.942 5.702 4.249 1.00 25.45 O ATOM 955 ND2 ASN A 60 15.256 4.511 5.561 1.00 24.09 N ATOM 0 H ASN A 60 11.959 4.516 2.263 1.00 12.38 H new ATOM 0 HA ASN A 60 12.999 2.936 3.226 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.250 4.143 5.841 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.389 2.823 5.661 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.989 5.209 5.438 1.00 24.09 H new ATOM 0 HD22 ASN A 60 15.424 3.693 6.146 1.00 24.09 H new ATOM 962 N ILE A 61 10.758 1.544 3.027 1.00 11.08 N ATOM 963 CA ILE A 61 10.110 0.287 2.918 1.00 11.78 C ATOM 964 C ILE A 61 11.151 -0.701 2.407 1.00 13.74 C ATOM 965 O ILE A 61 11.855 -0.473 1.458 1.00 14.60 O ATOM 966 CB ILE A 61 8.820 0.276 2.034 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.790 1.276 2.625 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.280 -1.134 2.011 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.497 1.301 1.802 1.00 11.42 C ATOM 0 H ILE A 61 10.616 2.142 2.213 1.00 11.08 H new ATOM 0 HA ILE A 61 9.733 0.011 3.903 1.00 11.78 H new ATOM 0 HB ILE A 61 9.036 0.586 1.012 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.562 1.000 3.655 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.225 2.275 2.652 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.378 -1.168 1.400 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.030 -1.804 1.590 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.042 -1.449 3.027 1.00 13.29 H new ATOM 0 HD11 ILE A 61 5.798 2.011 2.244 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.723 1.602 0.779 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.049 0.307 1.797 1.00 11.42 H new ATOM 981 N GLN A 62 11.272 -1.801 3.224 1.00 13.97 N ATOM 982 CA GLN A 62 12.356 -2.718 3.179 1.00 15.52 C ATOM 983 C GLN A 62 11.797 -4.156 2.970 1.00 13.94 C ATOM 984 O GLN A 62 10.599 -4.447 2.828 1.00 12.15 O ATOM 985 CB GLN A 62 13.232 -2.790 4.450 1.00 19.53 C ATOM 986 CG GLN A 62 13.774 -1.423 4.883 1.00 26.38 C ATOM 987 CD GLN A 62 14.750 -1.455 6.090 1.00 30.61 C ATOM 988 OE1 GLN A 62 14.638 -2.276 7.030 1.00 33.23 O ATOM 989 NE2 GLN A 62 15.605 -0.418 6.152 1.00 32.71 N ATOM 0 H GLN A 62 10.577 -2.037 3.932 1.00 13.97 H new ATOM 0 HA GLN A 62 12.983 -2.351 2.366 1.00 15.52 H new ATOM 0 HB2 GLN A 62 12.646 -3.217 5.264 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.068 -3.466 4.270 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.284 -0.966 4.035 1.00 26.38 H new ATOM 0 HG3 GLN A 62 12.932 -0.778 5.133 1.00 26.38 H new ATOM 0 HE21 GLN A 62 15.674 0.234 5.370 1.00 32.71 H new ATOM 0 HE22 GLN A 62 16.184 -0.284 6.981 1.00 32.71 H new ATOM 998 N LYS A 63 12.658 -5.154 2.844 1.00 11.73 N ATOM 999 CA LYS A 63 12.220 -6.518 2.641 1.00 11.97 C ATOM 1000 C LYS A 63 11.367 -7.161 3.794 1.00 10.41 C ATOM 1001 O LYS A 63 11.655 -7.145 4.966 1.00 9.59 O ATOM 1002 CB LYS A 63 13.443 -7.383 2.425 1.00 13.73 C ATOM 1003 CG LYS A 63 14.453 -7.369 3.595 1.00 16.98 C ATOM 1004 CD LYS A 63 15.679 -8.187 3.332 1.00 20.19 C ATOM 1005 CE LYS A 63 16.654 -7.611 2.262 1.00 23.42 C ATOM 1006 NZ LYS A 63 17.298 -6.413 2.758 1.00 25.97 N ATOM 0 H LYS A 63 13.671 -5.039 2.880 1.00 11.73 H new ATOM 0 HA LYS A 63 11.552 -6.473 1.781 1.00 11.97 H new ATOM 0 HB2 LYS A 63 13.120 -8.410 2.253 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.951 -7.052 1.519 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.749 -6.340 3.798 1.00 16.98 H new ATOM 0 HG3 LYS A 63 13.962 -7.742 4.494 1.00 16.98 H new ATOM 0 HD2 LYS A 63 16.224 -8.304 4.269 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.369 -9.183 3.017 1.00 20.19 H new ATOM 0 HE2 LYS A 63 17.407 -8.357 2.008 1.00 23.42 H new ATOM 0 HE3 LYS A 63 16.107 -7.385 1.347 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 18.018 -6.098 2.077 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 16.588 -5.663 2.882 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 17.751 -6.616 3.672 1.00 25.97 H new ATOM 1020 N GLU A 64 10.207 -7.690 3.388 1.00 10.04 N ATOM 1021 CA GLU A 64 9.190 -8.379 4.174 1.00 10.94 C ATOM 1022 C GLU A 64 8.544 -7.470 5.225 1.00 9.74 C ATOM 1023 O GLU A 64 8.075 -7.882 6.280 1.00 9.42 O ATOM 1024 CB GLU A 64 9.819 -9.677 4.823 1.00 18.31 C ATOM 1025 CG GLU A 64 10.101 -10.817 3.877 1.00 24.16 C ATOM 1026 CD GLU A 64 10.954 -11.955 4.406 1.00 29.00 C ATOM 1027 OE1 GLU A 64 10.721 -12.456 5.560 1.00 32.61 O ATOM 1028 OE2 GLU A 64 11.900 -12.404 3.690 1.00 31.72 O ATOM 0 H GLU A 64 9.936 -7.639 2.406 1.00 10.04 H new ATOM 0 HA GLU A 64 8.381 -8.673 3.505 1.00 10.94 H new ATOM 0 HB2 GLU A 64 10.752 -9.399 5.314 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.144 -10.034 5.601 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.147 -11.231 3.552 1.00 24.16 H new ATOM 0 HG3 GLU A 64 10.590 -10.410 2.992 1.00 24.16 H new ATOM 1035 N SER A 65 8.607 -6.118 4.914 1.00 6.85 N ATOM 1036 CA SER A 65 7.985 -5.138 5.705 1.00 6.90 C ATOM 1037 C SER A 65 6.524 -5.176 5.480 1.00 4.72 C ATOM 1038 O SER A 65 5.969 -5.661 4.490 1.00 3.91 O ATOM 1039 CB SER A 65 8.495 -3.701 5.295 1.00 7.28 C ATOM 1040 OG SER A 65 9.878 -3.472 5.771 1.00 10.56 O ATOM 0 H SER A 65 9.101 -5.747 4.103 1.00 6.85 H new ATOM 0 HA SER A 65 8.223 -5.338 6.750 1.00 6.90 H new ATOM 0 HB2 SER A 65 8.457 -3.594 4.211 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.833 -2.943 5.713 1.00 7.28 H new ATOM 0 HG SER A 65 10.060 -2.509 5.797 1.00 10.56 H new ATOM 1046 N THR A 66 5.778 -4.612 6.454 1.00 4.48 N ATOM 1047 CA THR A 66 4.344 -4.831 6.411 1.00 3.80 C ATOM 1048 C THR A 66 3.634 -3.534 6.392 1.00 4.60 C ATOM 1049 O THR A 66 3.722 -2.664 7.252 1.00 5.33 O ATOM 1050 CB THR A 66 3.789 -5.604 7.573 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.380 -6.880 7.575 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.284 -5.773 7.547 1.00 3.40 C ATOM 0 H THR A 66 6.127 -4.042 7.224 1.00 4.48 H new ATOM 0 HA THR A 66 4.186 -5.418 5.507 1.00 3.80 H new ATOM 0 HB THR A 66 4.021 -5.031 8.471 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.032 -7.401 8.329 1.00 2.15 H new ATOM 0 HG21 THR A 66 1.967 -6.342 8.421 1.00 3.40 H new ATOM 0 HG22 THR A 66 1.808 -4.793 7.560 1.00 3.40 H new ATOM 0 HG23 THR A 66 1.993 -6.306 6.642 1.00 3.40 H new ATOM 1060 N LEU A 67 2.770 -3.440 5.380 1.00 4.17 N ATOM 1061 CA LEU A 67 2.077 -2.273 5.012 1.00 3.85 C ATOM 1062 C LEU A 67 0.651 -2.448 5.647 1.00 3.80 C ATOM 1063 O LEU A 67 0.157 -3.585 5.695 1.00 5.54 O ATOM 1064 CB LEU A 67 2.069 -2.191 3.497 1.00 7.18 C ATOM 1065 CG LEU A 67 3.172 -1.460 2.861 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.567 -2.066 3.146 1.00 8.12 C ATOM 1067 CD2 LEU A 67 2.919 -1.221 1.370 1.00 11.66 C ATOM 0 H LEU A 67 2.545 -4.236 4.783 1.00 4.17 H new ATOM 0 HA LEU A 67 2.519 -1.340 5.362 1.00 3.85 H new ATOM 0 HB2 LEU A 67 2.065 -3.207 3.103 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.133 -1.726 3.188 1.00 7.18 H new ATOM 0 HG LEU A 67 3.192 -0.480 3.337 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.331 -1.473 2.644 1.00 8.12 H new ATOM 0 HD12 LEU A 67 4.753 -2.062 4.220 1.00 8.12 H new ATOM 0 HD13 LEU A 67 4.601 -3.090 2.775 1.00 8.12 H new ATOM 0 HD21 LEU A 67 3.760 -0.677 0.941 1.00 11.66 H new ATOM 0 HD22 LEU A 67 2.809 -2.179 0.862 1.00 11.66 H new ATOM 0 HD23 LEU A 67 2.007 -0.637 1.245 1.00 11.66 H new ATOM 1079 N HIS A 68 -0.040 -1.391 6.061 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.365 -1.500 6.695 1.00 4.17 C ATOM 1081 C HIS A 68 -2.402 -0.983 5.775 1.00 5.32 C ATOM 1082 O HIS A 68 -2.377 0.187 5.382 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.454 -0.679 8.059 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.329 -1.111 9.017 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.818 -0.333 9.089 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.147 -2.094 9.961 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.645 -0.953 9.961 1.00 14.75 C ATOM 1088 NE2 HIS A 68 1.069 -2.025 10.506 1.00 16.30 N ATOM 0 H HIS A 68 0.295 -0.432 5.970 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.526 -2.555 6.916 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.377 0.389 7.854 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.424 -0.844 8.528 1.00 5.57 H new ATOM 0 HD1 HIS A 68 1.001 0.534 8.584 1.00 13.74 H new ATOM 0 HD2 HIS A 68 -0.893 -2.828 10.227 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.647 -0.621 10.188 1.00 14.75 H new ATOM 1096 N LEU A 69 -3.364 -1.860 5.359 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.375 -1.427 4.431 1.00 3.97 C ATOM 1098 C LEU A 69 -5.546 -0.932 5.214 1.00 5.07 C ATOM 1099 O LEU A 69 -6.027 -1.631 6.113 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.770 -2.627 3.531 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.893 -2.406 2.476 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.541 -1.226 1.599 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -6.106 -3.598 1.595 1.00 9.96 C ATOM 0 H LEU A 69 -3.435 -2.833 5.657 1.00 5.29 H new ATOM 0 HA LEU A 69 -4.011 -0.622 3.793 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.876 -2.958 3.003 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -5.078 -3.446 4.181 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.813 -2.228 3.032 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.329 -1.073 0.861 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.442 -0.332 2.215 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.598 -1.421 1.088 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.901 -3.385 0.880 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.185 -3.822 1.057 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.388 -4.456 2.205 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.923 0.326 4.922 1.00 4.29 N ATOM 1116 CA VAL A 70 -6.975 1.002 5.659 1.00 6.26 C ATOM 1117 C VAL A 70 -8.067 1.272 4.602 1.00 9.22 C ATOM 1118 O VAL A 70 -7.908 1.790 3.500 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.454 2.259 6.343 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -7.647 3.072 6.874 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -5.540 1.793 7.568 1.00 8.54 C ATOM 0 H VAL A 70 -5.506 0.885 4.178 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.373 0.410 6.483 1.00 6.26 H new ATOM 0 HB VAL A 70 -5.883 2.875 5.649 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -7.283 3.974 7.365 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -8.297 3.348 6.044 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.208 2.470 7.589 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.148 2.670 8.083 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.136 1.200 8.262 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -4.712 1.190 7.195 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.266 0.823 4.909 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.371 0.809 4.010 1.00 16.06 C ATOM 1133 C LEU A 71 -11.340 1.972 4.146 1.00 18.09 C ATOM 1134 O LEU A 71 -11.427 2.757 5.106 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.125 -0.531 4.123 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.332 -1.779 3.728 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -9.760 -1.596 2.357 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.254 -2.208 4.728 1.00 19.57 C ATOM 0 H LEU A 71 -9.493 0.446 5.829 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.933 0.927 3.019 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.463 -0.650 5.152 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -12.017 -0.478 3.498 1.00 17.10 H new ATOM 0 HG LEU A 71 -11.044 -2.604 3.734 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -9.195 -2.485 2.077 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -10.569 -1.440 1.643 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -9.099 -0.730 2.351 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -8.749 -3.100 4.358 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -8.528 -1.404 4.848 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -9.717 -2.426 5.691 1.00 19.57 H new