USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 607 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 14 TYR OH : rot -140:sc= 0.693 USER MOD Set 1.2: A 36 GLN : amide:sc= 0.563 K(o=0.82,f=-4.6!) USER MOD Set 1.3: A 52 HIS : no HE2:sc= -0.441 K(o=0.82,f=-0.32) USER MOD Set 2.1: A 26 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 42 THR OG1 : rot 180:sc= 0.0205 USER MOD Single : A 1 THR N :NH3+ 152:sc= 0.449 (180deg=0.0476) USER MOD Single : A 1 THR OG1 : rot -51:sc= 0.191 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot -130:sc=0.000509 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.481 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 HIS : no HD1:sc= -1.97 K(o=-2,f=-2.6!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 70:sc= -0.225 USER MOD Single : A 31 SER OG : rot 180:sc= -0.684 USER MOD Single : A 32 ASN : amide:sc= -0.0245 K(o=-0.024,f=-1.3!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot -85:sc= 0.563 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ -155:sc= -0.18 (180deg=-0.99) USER MOD Single : A 51 THR OG1 : rot -171:sc= -0.54 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= -0.703 K(o=-0.7,f=-0.2) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 TYR OH : rot 170:sc= 0.109 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.519 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 2.917 13.439 -8.200 1.00 0.00 N ATOM 2 CA THR A 1 3.829 14.513 -8.692 1.00 0.00 C ATOM 3 C THR A 1 5.274 14.209 -8.288 1.00 0.00 C ATOM 4 O THR A 1 6.150 14.093 -9.122 1.00 0.00 O ATOM 5 CB THR A 1 3.338 15.790 -8.012 1.00 0.00 C ATOM 6 OG1 THR A 1 1.921 15.756 -7.913 1.00 0.00 O ATOM 7 CG2 THR A 1 3.764 17.007 -8.838 1.00 0.00 C ATOM 0 H1 THR A 1 1.968 13.835 -8.042 1.00 0.00 H new ATOM 0 H2 THR A 1 2.862 12.679 -8.908 1.00 0.00 H new ATOM 0 H3 THR A 1 3.285 13.054 -7.307 1.00 0.00 H new ATOM 0 HA THR A 1 3.817 14.599 -9.779 1.00 0.00 H new ATOM 0 HB THR A 1 3.772 15.861 -7.014 1.00 0.00 H new ATOM 0 HG1 THR A 1 1.537 15.551 -8.791 1.00 0.00 H new ATOM 0 HG21 THR A 1 3.413 17.917 -8.352 1.00 0.00 H new ATOM 0 HG22 THR A 1 4.851 17.032 -8.915 1.00 0.00 H new ATOM 0 HG23 THR A 1 3.331 16.939 -9.836 1.00 0.00 H new ATOM 17 N ARG A 2 5.532 14.081 -7.015 1.00 0.00 N ATOM 18 CA ARG A 2 6.924 13.788 -6.563 1.00 0.00 C ATOM 19 C ARG A 2 6.907 13.076 -5.208 1.00 0.00 C ATOM 20 O ARG A 2 6.933 13.703 -4.167 1.00 0.00 O ATOM 21 CB ARG A 2 7.597 15.155 -6.439 1.00 0.00 C ATOM 22 CG ARG A 2 8.968 15.112 -7.116 1.00 0.00 C ATOM 23 CD ARG A 2 8.916 15.899 -8.428 1.00 0.00 C ATOM 24 NE ARG A 2 10.010 15.330 -9.261 1.00 0.00 N ATOM 25 CZ ARG A 2 9.865 15.235 -10.556 1.00 0.00 C ATOM 26 NH1 ARG A 2 9.003 14.393 -11.056 1.00 0.00 N ATOM 27 NH2 ARG A 2 10.582 15.983 -11.349 1.00 0.00 N ATOM 0 H ARG A 2 4.842 14.166 -6.269 1.00 0.00 H new ATOM 0 HA ARG A 2 7.451 13.134 -7.257 1.00 0.00 H new ATOM 0 HB2 ARG A 2 6.975 15.922 -6.901 1.00 0.00 H new ATOM 0 HB3 ARG A 2 7.707 15.424 -5.388 1.00 0.00 H new ATOM 0 HG2 ARG A 2 9.725 15.536 -6.456 1.00 0.00 H new ATOM 0 HG3 ARG A 2 9.257 14.079 -7.311 1.00 0.00 H new ATOM 0 HD2 ARG A 2 7.948 15.787 -8.917 1.00 0.00 H new ATOM 0 HD3 ARG A 2 9.065 16.965 -8.255 1.00 0.00 H new ATOM 0 HE ARG A 2 10.874 15.014 -8.821 1.00 0.00 H new ATOM 0 HH11 ARG A 2 8.442 13.809 -10.436 1.00 0.00 H new ATOM 0 HH12 ARG A 2 8.890 14.319 -12.067 1.00 0.00 H new ATOM 0 HH21 ARG A 2 11.255 16.642 -10.958 1.00 0.00 H new ATOM 0 HH22 ARG A 2 10.469 15.909 -12.360 1.00 0.00 H new ATOM 41 N GLY A 3 6.863 11.772 -5.212 1.00 0.00 N ATOM 42 CA GLY A 3 6.846 11.024 -3.923 1.00 0.00 C ATOM 43 C GLY A 3 8.017 10.041 -3.884 1.00 0.00 C ATOM 44 O GLY A 3 7.983 8.995 -4.502 1.00 0.00 O ATOM 0 H GLY A 3 6.838 11.193 -6.051 1.00 0.00 H new ATOM 0 HA2 GLY A 3 6.914 11.720 -3.087 1.00 0.00 H new ATOM 0 HA3 GLY A 3 5.904 10.487 -3.815 1.00 0.00 H new ATOM 48 N SER A 4 9.053 10.367 -3.159 1.00 0.00 N ATOM 49 CA SER A 4 10.227 9.453 -3.075 1.00 0.00 C ATOM 50 C SER A 4 11.039 9.756 -1.813 1.00 0.00 C ATOM 51 O SER A 4 11.791 10.710 -1.762 1.00 0.00 O ATOM 52 CB SER A 4 11.052 9.747 -4.328 1.00 0.00 C ATOM 53 OG SER A 4 11.426 8.520 -4.941 1.00 0.00 O ATOM 0 H SER A 4 9.136 11.229 -2.620 1.00 0.00 H new ATOM 0 HA SER A 4 9.932 8.405 -3.021 1.00 0.00 H new ATOM 0 HB2 SER A 4 10.473 10.354 -5.025 1.00 0.00 H new ATOM 0 HB3 SER A 4 11.940 10.322 -4.066 1.00 0.00 H new ATOM 0 HG SER A 4 11.954 8.704 -5.746 1.00 0.00 H new ATOM 59 N ASP A 5 10.893 8.954 -0.794 1.00 0.00 N ATOM 60 CA ASP A 5 11.653 9.198 0.463 1.00 0.00 C ATOM 61 C ASP A 5 11.744 7.908 1.283 1.00 0.00 C ATOM 62 O ASP A 5 12.812 7.368 1.493 1.00 0.00 O ATOM 63 CB ASP A 5 10.848 10.259 1.215 1.00 0.00 C ATOM 64 CG ASP A 5 11.803 11.266 1.860 1.00 0.00 C ATOM 65 OD1 ASP A 5 12.531 10.873 2.757 1.00 0.00 O ATOM 66 OD2 ASP A 5 11.789 12.415 1.447 1.00 0.00 O ATOM 0 H ASP A 5 10.279 8.139 -0.778 1.00 0.00 H new ATOM 0 HA ASP A 5 12.675 9.525 0.272 1.00 0.00 H new ATOM 0 HB2 ASP A 5 10.172 10.771 0.530 1.00 0.00 H new ATOM 0 HB3 ASP A 5 10.230 9.787 1.979 1.00 0.00 H new ATOM 71 N ILE A 6 10.630 7.409 1.748 1.00 0.00 N ATOM 72 CA ILE A 6 10.654 6.154 2.554 1.00 0.00 C ATOM 73 C ILE A 6 9.787 5.083 1.889 1.00 0.00 C ATOM 74 O ILE A 6 9.013 4.406 2.535 1.00 0.00 O ATOM 75 CB ILE A 6 10.071 6.545 3.913 1.00 0.00 C ATOM 76 CG1 ILE A 6 10.875 7.709 4.498 1.00 0.00 C ATOM 77 CG2 ILE A 6 10.143 5.350 4.864 1.00 0.00 C ATOM 78 CD1 ILE A 6 10.107 8.318 5.673 1.00 0.00 C ATOM 0 H ILE A 6 9.706 7.816 1.605 1.00 0.00 H new ATOM 0 HA ILE A 6 11.658 5.740 2.644 1.00 0.00 H new ATOM 0 HB ILE A 6 9.031 6.847 3.787 1.00 0.00 H new ATOM 0 HG12 ILE A 6 11.852 7.359 4.830 1.00 0.00 H new ATOM 0 HG13 ILE A 6 11.050 8.465 3.733 1.00 0.00 H new ATOM 0 HG21 ILE A 6 9.727 5.630 5.832 1.00 0.00 H new ATOM 0 HG22 ILE A 6 9.571 4.520 4.449 1.00 0.00 H new ATOM 0 HG23 ILE A 6 11.182 5.047 4.989 1.00 0.00 H new ATOM 0 HD11 ILE A 6 10.678 9.147 6.091 1.00 0.00 H new ATOM 0 HD12 ILE A 6 9.140 8.682 5.326 1.00 0.00 H new ATOM 0 HD13 ILE A 6 9.955 7.559 6.441 1.00 0.00 H new ATOM 90 N SER A 7 9.915 4.922 0.600 1.00 0.00 N ATOM 91 CA SER A 7 9.103 3.897 -0.106 1.00 0.00 C ATOM 92 C SER A 7 9.990 3.090 -1.058 1.00 0.00 C ATOM 93 O SER A 7 9.526 2.520 -2.024 1.00 0.00 O ATOM 94 CB SER A 7 8.057 4.690 -0.887 1.00 0.00 C ATOM 95 OG SER A 7 6.793 4.052 -0.764 1.00 0.00 O ATOM 0 H SER A 7 10.548 5.458 0.007 1.00 0.00 H new ATOM 0 HA SER A 7 8.643 3.186 0.580 1.00 0.00 H new ATOM 0 HB2 SER A 7 8.000 5.710 -0.508 1.00 0.00 H new ATOM 0 HB3 SER A 7 8.343 4.755 -1.937 1.00 0.00 H new ATOM 0 HG SER A 7 6.396 3.938 -1.653 1.00 0.00 H new ATOM 101 N LYS A 8 11.268 3.044 -0.793 1.00 0.00 N ATOM 102 CA LYS A 8 12.186 2.278 -1.687 1.00 0.00 C ATOM 103 C LYS A 8 11.940 0.777 -1.550 1.00 0.00 C ATOM 104 O LYS A 8 12.778 0.039 -1.072 1.00 0.00 O ATOM 105 CB LYS A 8 13.597 2.643 -1.224 1.00 0.00 C ATOM 106 CG LYS A 8 13.741 2.358 0.272 1.00 0.00 C ATOM 107 CD LYS A 8 15.220 2.162 0.608 1.00 0.00 C ATOM 108 CE LYS A 8 15.413 0.809 1.298 1.00 0.00 C ATOM 109 NZ LYS A 8 15.198 1.081 2.746 1.00 0.00 N ATOM 0 H LYS A 8 11.716 3.502 0.001 1.00 0.00 H new ATOM 0 HA LYS A 8 12.031 2.523 -2.738 1.00 0.00 H new ATOM 0 HB2 LYS A 8 14.334 2.069 -1.786 1.00 0.00 H new ATOM 0 HB3 LYS A 8 13.794 3.696 -1.424 1.00 0.00 H new ATOM 0 HG2 LYS A 8 13.331 3.184 0.853 1.00 0.00 H new ATOM 0 HG3 LYS A 8 13.174 1.467 0.541 1.00 0.00 H new ATOM 0 HD2 LYS A 8 15.819 2.207 -0.301 1.00 0.00 H new ATOM 0 HD3 LYS A 8 15.566 2.966 1.258 1.00 0.00 H new ATOM 0 HE2 LYS A 8 14.703 0.071 0.925 1.00 0.00 H new ATOM 0 HE3 LYS A 8 16.411 0.411 1.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 15.314 0.200 3.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 15.893 1.782 3.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 14.237 1.452 2.891 1.00 0.00 H new ATOM 123 N THR A 9 10.796 0.321 -1.973 1.00 0.00 N ATOM 124 CA THR A 9 10.492 -1.128 -1.872 1.00 0.00 C ATOM 125 C THR A 9 9.580 -1.558 -3.024 1.00 0.00 C ATOM 126 O THR A 9 8.585 -0.922 -3.310 1.00 0.00 O ATOM 127 CB THR A 9 9.774 -1.277 -0.534 1.00 0.00 C ATOM 128 OG1 THR A 9 10.333 -0.373 0.408 1.00 0.00 O ATOM 129 CG2 THR A 9 9.939 -2.706 -0.032 1.00 0.00 C ATOM 0 H THR A 9 10.058 0.892 -2.385 1.00 0.00 H new ATOM 0 HA THR A 9 11.386 -1.749 -1.931 1.00 0.00 H new ATOM 0 HB THR A 9 8.714 -1.055 -0.660 1.00 0.00 H new ATOM 0 HG1 THR A 9 9.871 -0.468 1.267 1.00 0.00 H new ATOM 0 HG21 THR A 9 9.427 -2.817 0.924 1.00 0.00 H new ATOM 0 HG22 THR A 9 9.509 -3.398 -0.756 1.00 0.00 H new ATOM 0 HG23 THR A 9 10.999 -2.927 0.096 1.00 0.00 H new ATOM 137 N CYS A 10 9.909 -2.633 -3.689 1.00 0.00 N ATOM 138 CA CYS A 10 9.056 -3.098 -4.820 1.00 0.00 C ATOM 139 C CYS A 10 7.930 -3.994 -4.299 1.00 0.00 C ATOM 140 O CYS A 10 7.679 -4.067 -3.112 1.00 0.00 O ATOM 141 CB CYS A 10 9.994 -3.893 -5.728 1.00 0.00 C ATOM 142 SG CYS A 10 10.626 -2.813 -7.034 1.00 0.00 S ATOM 0 H CYS A 10 10.730 -3.208 -3.498 1.00 0.00 H new ATOM 0 HA CYS A 10 8.586 -2.268 -5.348 1.00 0.00 H new ATOM 0 HB2 CYS A 10 10.821 -4.301 -5.147 1.00 0.00 H new ATOM 0 HB3 CYS A 10 9.464 -4.739 -6.165 1.00 0.00 H new ATOM 147 N CYS A 11 7.252 -4.678 -5.179 1.00 0.00 N ATOM 148 CA CYS A 11 6.143 -5.571 -4.733 1.00 0.00 C ATOM 149 C CYS A 11 6.055 -6.801 -5.638 1.00 0.00 C ATOM 150 O CYS A 11 5.710 -6.706 -6.799 1.00 0.00 O ATOM 151 CB CYS A 11 4.875 -4.728 -4.859 1.00 0.00 C ATOM 152 SG CYS A 11 4.544 -3.888 -3.289 1.00 0.00 S ATOM 0 H CYS A 11 7.417 -4.658 -6.185 1.00 0.00 H new ATOM 0 HA CYS A 11 6.294 -5.933 -3.716 1.00 0.00 H new ATOM 0 HB2 CYS A 11 4.991 -3.995 -5.657 1.00 0.00 H new ATOM 0 HB3 CYS A 11 4.030 -5.362 -5.129 1.00 0.00 H new ATOM 157 N PHE A 12 6.357 -7.958 -5.115 1.00 0.00 N ATOM 158 CA PHE A 12 6.283 -9.194 -5.944 1.00 0.00 C ATOM 159 C PHE A 12 5.207 -10.129 -5.388 1.00 0.00 C ATOM 160 O PHE A 12 5.392 -11.327 -5.300 1.00 0.00 O ATOM 161 CB PHE A 12 7.670 -9.840 -5.854 1.00 0.00 C ATOM 162 CG PHE A 12 8.094 -9.962 -4.409 1.00 0.00 C ATOM 163 CD1 PHE A 12 7.742 -11.096 -3.668 1.00 0.00 C ATOM 164 CD2 PHE A 12 8.841 -8.940 -3.812 1.00 0.00 C ATOM 165 CE1 PHE A 12 8.136 -11.207 -2.330 1.00 0.00 C ATOM 166 CE2 PHE A 12 9.236 -9.051 -2.474 1.00 0.00 C ATOM 167 CZ PHE A 12 8.883 -10.185 -1.733 1.00 0.00 C ATOM 0 H PHE A 12 6.652 -8.101 -4.149 1.00 0.00 H new ATOM 0 HA PHE A 12 6.017 -8.979 -6.979 1.00 0.00 H new ATOM 0 HB2 PHE A 12 7.652 -10.825 -6.320 1.00 0.00 H new ATOM 0 HB3 PHE A 12 8.395 -9.241 -6.404 1.00 0.00 H new ATOM 0 HD1 PHE A 12 7.166 -11.885 -4.129 1.00 0.00 H new ATOM 0 HD2 PHE A 12 9.113 -8.065 -4.384 1.00 0.00 H new ATOM 0 HE1 PHE A 12 7.864 -12.082 -1.758 1.00 0.00 H new ATOM 0 HE2 PHE A 12 9.813 -8.262 -2.014 1.00 0.00 H new ATOM 0 HZ PHE A 12 9.187 -10.271 -0.700 1.00 0.00 H new ATOM 177 N GLN A 13 4.080 -9.584 -5.017 1.00 0.00 N ATOM 178 CA GLN A 13 2.982 -10.427 -4.468 1.00 0.00 C ATOM 179 C GLN A 13 1.706 -9.592 -4.329 1.00 0.00 C ATOM 180 O GLN A 13 1.735 -8.473 -3.858 1.00 0.00 O ATOM 181 CB GLN A 13 3.478 -10.886 -3.096 1.00 0.00 C ATOM 182 CG GLN A 13 2.741 -12.162 -2.690 1.00 0.00 C ATOM 183 CD GLN A 13 3.682 -13.360 -2.828 1.00 0.00 C ATOM 184 OE1 GLN A 13 3.920 -13.837 -3.920 1.00 0.00 O ATOM 185 NE2 GLN A 13 4.230 -13.869 -1.760 1.00 0.00 N ATOM 0 H GLN A 13 3.873 -8.587 -5.071 1.00 0.00 H new ATOM 0 HA GLN A 13 2.744 -11.273 -5.113 1.00 0.00 H new ATOM 0 HB2 GLN A 13 4.552 -11.068 -3.128 1.00 0.00 H new ATOM 0 HB3 GLN A 13 3.309 -10.104 -2.356 1.00 0.00 H new ATOM 0 HG2 GLN A 13 2.388 -12.080 -1.662 1.00 0.00 H new ATOM 0 HG3 GLN A 13 1.862 -12.302 -3.318 1.00 0.00 H new ATOM 0 HE21 GLN A 13 4.030 -13.468 -0.844 1.00 0.00 H new ATOM 0 HE22 GLN A 13 4.859 -14.668 -1.841 1.00 0.00 H new ATOM 194 N TYR A 14 0.586 -10.121 -4.738 1.00 0.00 N ATOM 195 CA TYR A 14 -0.681 -9.348 -4.628 1.00 0.00 C ATOM 196 C TYR A 14 -1.791 -10.220 -4.032 1.00 0.00 C ATOM 197 O TYR A 14 -2.124 -11.264 -4.559 1.00 0.00 O ATOM 198 CB TYR A 14 -1.026 -8.940 -6.062 1.00 0.00 C ATOM 199 CG TYR A 14 0.137 -8.186 -6.663 1.00 0.00 C ATOM 200 CD1 TYR A 14 0.683 -7.087 -5.988 1.00 0.00 C ATOM 201 CD2 TYR A 14 0.670 -8.584 -7.896 1.00 0.00 C ATOM 202 CE1 TYR A 14 1.762 -6.389 -6.543 1.00 0.00 C ATOM 203 CE2 TYR A 14 1.749 -7.884 -8.451 1.00 0.00 C ATOM 204 CZ TYR A 14 2.293 -6.787 -7.774 1.00 0.00 C ATOM 205 OH TYR A 14 3.358 -6.099 -8.321 1.00 0.00 O ATOM 0 H TYR A 14 0.494 -11.053 -5.143 1.00 0.00 H new ATOM 0 HA TYR A 14 -0.577 -8.483 -3.973 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -1.248 -9.824 -6.660 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -1.920 -8.317 -6.069 1.00 0.00 H new ATOM 0 HD1 TYR A 14 0.271 -6.778 -5.039 1.00 0.00 H new ATOM 0 HD2 TYR A 14 0.249 -9.430 -8.418 1.00 0.00 H new ATOM 0 HE1 TYR A 14 2.184 -5.543 -6.021 1.00 0.00 H new ATOM 0 HE2 TYR A 14 2.161 -8.191 -9.401 1.00 0.00 H new ATOM 0 HH TYR A 14 3.227 -6.008 -9.288 1.00 0.00 H new ATOM 215 N SER A 15 -2.362 -9.799 -2.937 1.00 0.00 N ATOM 216 CA SER A 15 -3.447 -10.602 -2.304 1.00 0.00 C ATOM 217 C SER A 15 -4.803 -10.246 -2.925 1.00 0.00 C ATOM 218 O SER A 15 -4.875 -9.668 -3.991 1.00 0.00 O ATOM 219 CB SER A 15 -3.415 -10.210 -0.826 1.00 0.00 C ATOM 220 OG SER A 15 -3.090 -11.353 -0.045 1.00 0.00 O ATOM 0 H SER A 15 -2.124 -8.933 -2.453 1.00 0.00 H new ATOM 0 HA SER A 15 -3.305 -11.673 -2.447 1.00 0.00 H new ATOM 0 HB2 SER A 15 -2.680 -9.422 -0.662 1.00 0.00 H new ATOM 0 HB3 SER A 15 -4.383 -9.811 -0.522 1.00 0.00 H new ATOM 0 HG SER A 15 -3.067 -11.106 0.903 1.00 0.00 H new ATOM 226 N HIS A 16 -5.877 -10.588 -2.265 1.00 0.00 N ATOM 227 CA HIS A 16 -7.227 -10.269 -2.814 1.00 0.00 C ATOM 228 C HIS A 16 -8.301 -10.509 -1.747 1.00 0.00 C ATOM 229 O HIS A 16 -9.116 -11.403 -1.864 1.00 0.00 O ATOM 230 CB HIS A 16 -7.418 -11.227 -3.990 1.00 0.00 C ATOM 231 CG HIS A 16 -7.339 -12.646 -3.499 1.00 0.00 C ATOM 232 ND1 HIS A 16 -6.135 -13.252 -3.182 1.00 0.00 N ATOM 233 CD2 HIS A 16 -8.307 -13.592 -3.266 1.00 0.00 C ATOM 234 CE1 HIS A 16 -6.405 -14.508 -2.780 1.00 0.00 C ATOM 235 NE2 HIS A 16 -7.715 -14.767 -2.812 1.00 0.00 N ATOM 0 H HIS A 16 -5.878 -11.075 -1.369 1.00 0.00 H new ATOM 0 HA HIS A 16 -7.310 -9.227 -3.122 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -8.383 -11.049 -4.465 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -6.653 -11.049 -4.746 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -9.367 -13.446 -3.413 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -5.654 -15.219 -2.470 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -8.181 -15.638 -2.558 1.00 0.00 H new ATOM 243 N LYS A 17 -8.308 -9.717 -0.710 1.00 0.00 N ATOM 244 CA LYS A 17 -9.329 -9.900 0.361 1.00 0.00 C ATOM 245 C LYS A 17 -9.453 -8.621 1.200 1.00 0.00 C ATOM 246 O LYS A 17 -8.485 -7.911 1.385 1.00 0.00 O ATOM 247 CB LYS A 17 -8.804 -11.054 1.217 1.00 0.00 C ATOM 248 CG LYS A 17 -9.563 -12.335 0.867 1.00 0.00 C ATOM 249 CD LYS A 17 -10.320 -12.834 2.099 1.00 0.00 C ATOM 250 CE LYS A 17 -10.639 -14.326 1.934 1.00 0.00 C ATOM 251 NZ LYS A 17 -11.894 -14.390 1.120 1.00 0.00 N ATOM 0 H LYS A 17 -7.651 -8.951 -0.558 1.00 0.00 H new ATOM 0 HA LYS A 17 -10.319 -10.111 -0.044 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -7.737 -11.192 1.045 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -8.929 -10.822 2.275 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -10.260 -12.145 0.051 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -8.867 -13.099 0.521 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -9.721 -12.676 2.996 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -11.242 -12.266 2.227 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -9.822 -14.847 1.434 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -10.777 -14.805 2.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -12.163 -15.384 0.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -12.659 -13.895 1.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -11.734 -13.935 0.198 1.00 0.00 H new ATOM 265 N PRO A 18 -10.645 -8.365 1.681 1.00 0.00 N ATOM 266 CA PRO A 18 -10.882 -7.155 2.505 1.00 0.00 C ATOM 267 C PRO A 18 -10.256 -7.323 3.892 1.00 0.00 C ATOM 268 O PRO A 18 -10.772 -8.028 4.737 1.00 0.00 O ATOM 269 CB PRO A 18 -12.404 -7.074 2.597 1.00 0.00 C ATOM 270 CG PRO A 18 -12.880 -8.475 2.391 1.00 0.00 C ATOM 271 CD PRO A 18 -11.867 -9.162 1.510 1.00 0.00 C ATOM 0 HA PRO A 18 -10.440 -6.254 2.081 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -12.721 -6.688 3.566 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -12.810 -6.404 1.839 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -12.976 -8.994 3.345 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -13.865 -8.483 1.924 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -11.713 -10.198 1.812 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -12.190 -9.178 0.469 1.00 0.00 H new ATOM 279 N LEU A 19 -9.148 -6.679 4.130 1.00 0.00 N ATOM 280 CA LEU A 19 -8.480 -6.793 5.459 1.00 0.00 C ATOM 281 C LEU A 19 -9.276 -6.026 6.522 1.00 0.00 C ATOM 282 O LEU A 19 -9.915 -5.038 6.218 1.00 0.00 O ATOM 283 CB LEU A 19 -7.107 -6.151 5.259 1.00 0.00 C ATOM 284 CG LEU A 19 -6.036 -6.994 5.950 1.00 0.00 C ATOM 285 CD1 LEU A 19 -4.860 -7.208 4.997 1.00 0.00 C ATOM 286 CD2 LEU A 19 -5.548 -6.265 7.204 1.00 0.00 C ATOM 0 H LEU A 19 -8.673 -6.075 3.459 1.00 0.00 H new ATOM 0 HA LEU A 19 -8.409 -7.826 5.800 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.886 -6.067 4.195 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -7.105 -5.140 5.666 1.00 0.00 H new ATOM 0 HG LEU A 19 -6.457 -7.960 6.229 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.096 -7.809 5.491 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -5.206 -7.725 4.102 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.437 -6.243 4.718 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.784 -6.864 7.699 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.127 -5.300 6.923 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.385 -6.111 7.884 1.00 0.00 H new ATOM 298 N PRO A 20 -9.204 -6.498 7.743 1.00 0.00 N ATOM 299 CA PRO A 20 -9.923 -5.826 8.854 1.00 0.00 C ATOM 300 C PRO A 20 -9.292 -4.455 9.130 1.00 0.00 C ATOM 301 O PRO A 20 -8.163 -4.352 9.565 1.00 0.00 O ATOM 302 CB PRO A 20 -9.746 -6.787 10.029 1.00 0.00 C ATOM 303 CG PRO A 20 -8.513 -7.566 9.705 1.00 0.00 C ATOM 304 CD PRO A 20 -8.458 -7.677 8.205 1.00 0.00 C ATOM 0 HA PRO A 20 -10.975 -5.630 8.646 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -9.636 -6.246 10.969 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -10.610 -7.442 10.137 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -7.625 -7.064 10.089 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -8.546 -8.553 10.166 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -7.431 -7.670 7.840 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -8.914 -8.603 7.855 1.00 0.00 H new ATOM 312 N TRP A 21 -10.015 -3.405 8.848 1.00 0.00 N ATOM 313 CA TRP A 21 -9.475 -2.025 9.053 1.00 0.00 C ATOM 314 C TRP A 21 -8.807 -1.869 10.420 1.00 0.00 C ATOM 315 O TRP A 21 -7.800 -1.201 10.548 1.00 0.00 O ATOM 316 CB TRP A 21 -10.693 -1.115 8.932 1.00 0.00 C ATOM 317 CG TRP A 21 -11.140 -1.127 7.511 1.00 0.00 C ATOM 318 CD1 TRP A 21 -12.117 -1.916 7.009 1.00 0.00 C ATOM 319 CD2 TRP A 21 -10.631 -0.344 6.397 1.00 0.00 C ATOM 320 NE1 TRP A 21 -12.240 -1.664 5.655 1.00 0.00 N ATOM 321 CE2 TRP A 21 -11.344 -0.701 5.231 1.00 0.00 C ATOM 322 CE3 TRP A 21 -9.627 0.634 6.288 1.00 0.00 C ATOM 323 CZ2 TRP A 21 -11.071 -0.109 3.998 1.00 0.00 C ATOM 324 CZ3 TRP A 21 -9.350 1.233 5.050 1.00 0.00 C ATOM 325 CH2 TRP A 21 -10.070 0.862 3.907 1.00 0.00 C ATOM 0 H TRP A 21 -10.966 -3.442 8.481 1.00 0.00 H new ATOM 0 HA TRP A 21 -8.699 -1.785 8.326 1.00 0.00 H new ATOM 0 HB2 TRP A 21 -11.493 -1.461 9.586 1.00 0.00 H new ATOM 0 HB3 TRP A 21 -10.443 -0.101 9.244 1.00 0.00 H new ATOM 0 HD1 TRP A 21 -12.704 -2.626 7.573 1.00 0.00 H new ATOM 0 HE1 TRP A 21 -12.910 -2.131 5.044 1.00 0.00 H new ATOM 0 HE3 TRP A 21 -9.065 0.926 7.163 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 -11.629 -0.399 3.120 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 -8.577 1.984 4.978 1.00 0.00 H new ATOM 0 HH2 TRP A 21 -9.852 1.326 2.956 1.00 0.00 H new ATOM 336 N THR A 22 -9.340 -2.472 11.443 1.00 0.00 N ATOM 337 CA THR A 22 -8.705 -2.342 12.788 1.00 0.00 C ATOM 338 C THR A 22 -7.230 -2.740 12.707 1.00 0.00 C ATOM 339 O THR A 22 -6.373 -2.117 13.300 1.00 0.00 O ATOM 340 CB THR A 22 -9.476 -3.307 13.678 1.00 0.00 C ATOM 341 OG1 THR A 22 -8.948 -3.261 14.996 1.00 0.00 O ATOM 342 CG2 THR A 22 -9.352 -4.722 13.120 1.00 0.00 C ATOM 0 H THR A 22 -10.182 -3.046 11.410 1.00 0.00 H new ATOM 0 HA THR A 22 -8.739 -1.322 13.172 1.00 0.00 H new ATOM 0 HB THR A 22 -10.528 -3.021 13.703 1.00 0.00 H new ATOM 0 HG1 THR A 22 -9.445 -3.881 15.569 1.00 0.00 H new ATOM 0 HG21 THR A 22 -9.904 -5.414 13.757 1.00 0.00 H new ATOM 0 HG22 THR A 22 -9.762 -4.752 12.110 1.00 0.00 H new ATOM 0 HG23 THR A 22 -8.302 -5.012 13.094 1.00 0.00 H new ATOM 350 N TRP A 23 -6.929 -3.769 11.963 1.00 0.00 N ATOM 351 CA TRP A 23 -5.513 -4.203 11.826 1.00 0.00 C ATOM 352 C TRP A 23 -4.863 -3.511 10.623 1.00 0.00 C ATOM 353 O TRP A 23 -3.730 -3.784 10.280 1.00 0.00 O ATOM 354 CB TRP A 23 -5.587 -5.712 11.598 1.00 0.00 C ATOM 355 CG TRP A 23 -5.295 -6.428 12.876 1.00 0.00 C ATOM 356 CD1 TRP A 23 -5.693 -6.024 14.103 1.00 0.00 C ATOM 357 CD2 TRP A 23 -4.553 -7.665 13.072 1.00 0.00 C ATOM 358 NE1 TRP A 23 -5.240 -6.934 15.042 1.00 0.00 N ATOM 359 CE2 TRP A 23 -4.531 -7.963 14.454 1.00 0.00 C ATOM 360 CE3 TRP A 23 -3.901 -8.548 12.192 1.00 0.00 C ATOM 361 CZ2 TRP A 23 -3.886 -9.098 14.947 1.00 0.00 C ATOM 362 CZ3 TRP A 23 -3.250 -9.691 12.685 1.00 0.00 C ATOM 363 CH2 TRP A 23 -3.243 -9.965 14.060 1.00 0.00 C ATOM 0 H TRP A 23 -7.606 -4.328 11.443 1.00 0.00 H new ATOM 0 HA TRP A 23 -4.914 -3.949 12.701 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -6.577 -5.987 11.234 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -4.872 -6.009 10.831 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -6.270 -5.136 14.316 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -5.409 -6.855 16.045 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -3.901 -8.346 11.131 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -3.884 -9.305 16.007 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -2.752 -10.362 12.001 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -2.741 -10.845 14.433 1.00 0.00 H new ATOM 374 N VAL A 24 -5.567 -2.619 9.978 1.00 0.00 N ATOM 375 CA VAL A 24 -4.980 -1.915 8.806 1.00 0.00 C ATOM 376 C VAL A 24 -4.441 -0.550 9.236 1.00 0.00 C ATOM 377 O VAL A 24 -5.133 0.234 9.855 1.00 0.00 O ATOM 378 CB VAL A 24 -6.128 -1.757 7.811 1.00 0.00 C ATOM 379 CG1 VAL A 24 -5.623 -1.015 6.571 1.00 0.00 C ATOM 380 CG2 VAL A 24 -6.638 -3.142 7.401 1.00 0.00 C ATOM 0 H VAL A 24 -6.522 -2.349 10.213 1.00 0.00 H new ATOM 0 HA VAL A 24 -4.147 -2.464 8.368 1.00 0.00 H new ATOM 0 HB VAL A 24 -6.938 -1.191 8.272 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -6.439 -0.900 5.858 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -5.253 -0.031 6.861 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -4.816 -1.584 6.110 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -7.458 -3.032 6.691 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -5.828 -3.705 6.937 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -6.991 -3.675 8.283 1.00 0.00 H new ATOM 390 N ARG A 25 -3.206 -0.262 8.928 1.00 0.00 N ATOM 391 CA ARG A 25 -2.626 1.049 9.338 1.00 0.00 C ATOM 392 C ARG A 25 -2.709 2.067 8.195 1.00 0.00 C ATOM 393 O ARG A 25 -3.332 3.101 8.325 1.00 0.00 O ATOM 394 CB ARG A 25 -1.168 0.745 9.681 1.00 0.00 C ATOM 395 CG ARG A 25 -0.474 2.028 10.144 1.00 0.00 C ATOM 396 CD ARG A 25 -0.099 1.902 11.624 1.00 0.00 C ATOM 397 NE ARG A 25 1.384 2.038 11.657 1.00 0.00 N ATOM 398 CZ ARG A 25 1.956 2.700 12.628 1.00 0.00 C ATOM 399 NH1 ARG A 25 1.720 2.373 13.869 1.00 0.00 N ATOM 400 NH2 ARG A 25 2.767 3.686 12.356 1.00 0.00 N ATOM 0 H ARG A 25 -2.575 -0.875 8.412 1.00 0.00 H new ATOM 0 HA ARG A 25 -3.165 1.486 10.178 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -1.118 -0.011 10.464 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -0.656 0.336 8.810 1.00 0.00 H new ATOM 0 HG2 ARG A 25 0.419 2.207 9.546 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -1.133 2.884 9.997 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -0.580 2.677 12.221 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -0.417 0.942 12.032 1.00 0.00 H new ATOM 0 HE ARG A 25 1.952 1.615 10.923 1.00 0.00 H new ATOM 0 HH11 ARG A 25 1.089 1.600 14.082 1.00 0.00 H new ATOM 0 HH12 ARG A 25 2.167 2.890 14.626 1.00 0.00 H new ATOM 0 HH21 ARG A 25 2.954 3.940 11.386 1.00 0.00 H new ATOM 0 HH22 ARG A 25 3.214 4.203 13.114 1.00 0.00 H new ATOM 414 N SER A 26 -2.084 1.793 7.083 1.00 0.00 N ATOM 415 CA SER A 26 -2.135 2.766 5.953 1.00 0.00 C ATOM 416 C SER A 26 -1.772 2.081 4.635 1.00 0.00 C ATOM 417 O SER A 26 -1.913 0.884 4.486 1.00 0.00 O ATOM 418 CB SER A 26 -1.096 3.829 6.304 1.00 0.00 C ATOM 419 OG SER A 26 0.199 3.243 6.290 1.00 0.00 O ATOM 0 H SER A 26 -1.544 0.945 6.908 1.00 0.00 H new ATOM 0 HA SER A 26 -3.131 3.189 5.822 1.00 0.00 H new ATOM 0 HB2 SER A 26 -1.144 4.651 5.589 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.307 4.249 7.287 1.00 0.00 H new ATOM 0 HG SER A 26 0.868 3.923 6.513 1.00 0.00 H new ATOM 425 N TYR A 27 -1.308 2.837 3.677 1.00 0.00 N ATOM 426 CA TYR A 27 -0.940 2.230 2.369 1.00 0.00 C ATOM 427 C TYR A 27 0.229 3.012 1.736 1.00 0.00 C ATOM 428 O TYR A 27 0.744 3.950 2.311 1.00 0.00 O ATOM 429 CB TYR A 27 -2.240 2.307 1.530 1.00 0.00 C ATOM 430 CG TYR A 27 -2.166 3.387 0.466 1.00 0.00 C ATOM 431 CD1 TYR A 27 -2.300 4.733 0.826 1.00 0.00 C ATOM 432 CD2 TYR A 27 -1.952 3.037 -0.871 1.00 0.00 C ATOM 433 CE1 TYR A 27 -2.223 5.729 -0.153 1.00 0.00 C ATOM 434 CE2 TYR A 27 -1.874 4.033 -1.851 1.00 0.00 C ATOM 435 CZ TYR A 27 -2.009 5.380 -1.492 1.00 0.00 C ATOM 436 OH TYR A 27 -1.932 6.363 -2.458 1.00 0.00 O ATOM 0 H TYR A 27 -1.169 3.845 3.744 1.00 0.00 H new ATOM 0 HA TYR A 27 -0.590 1.201 2.447 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -2.423 1.343 1.056 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -3.086 2.504 2.189 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -2.463 5.002 1.859 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -1.847 1.998 -1.147 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -2.329 6.768 0.124 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -1.710 3.763 -2.884 1.00 0.00 H new ATOM 0 HH TYR A 27 -1.779 5.950 -3.334 1.00 0.00 H new ATOM 446 N GLU A 28 0.631 2.635 0.551 1.00 0.00 N ATOM 447 CA GLU A 28 1.747 3.355 -0.133 1.00 0.00 C ATOM 448 C GLU A 28 1.995 2.740 -1.514 1.00 0.00 C ATOM 449 O GLU A 28 1.896 1.542 -1.697 1.00 0.00 O ATOM 450 CB GLU A 28 2.972 3.170 0.765 1.00 0.00 C ATOM 451 CG GLU A 28 3.203 1.681 1.022 1.00 0.00 C ATOM 452 CD GLU A 28 4.514 1.499 1.786 1.00 0.00 C ATOM 453 OE1 GLU A 28 4.523 1.752 2.980 1.00 0.00 O ATOM 454 OE2 GLU A 28 5.489 1.115 1.162 1.00 0.00 O ATOM 0 H GLU A 28 0.233 1.857 0.025 1.00 0.00 H new ATOM 0 HA GLU A 28 1.521 4.411 -0.284 1.00 0.00 H new ATOM 0 HB2 GLU A 28 3.851 3.608 0.292 1.00 0.00 H new ATOM 0 HB3 GLU A 28 2.825 3.693 1.710 1.00 0.00 H new ATOM 0 HG2 GLU A 28 2.374 1.266 1.595 1.00 0.00 H new ATOM 0 HG3 GLU A 28 3.241 1.138 0.077 1.00 0.00 H new ATOM 461 N PHE A 29 2.312 3.549 -2.489 1.00 0.00 N ATOM 462 CA PHE A 29 2.563 3.007 -3.857 1.00 0.00 C ATOM 463 C PHE A 29 4.046 2.667 -4.028 1.00 0.00 C ATOM 464 O PHE A 29 4.902 3.245 -3.389 1.00 0.00 O ATOM 465 CB PHE A 29 2.160 4.138 -4.805 1.00 0.00 C ATOM 466 CG PHE A 29 1.390 3.571 -5.974 1.00 0.00 C ATOM 467 CD1 PHE A 29 2.064 2.885 -6.992 1.00 0.00 C ATOM 468 CD2 PHE A 29 0.002 3.734 -6.042 1.00 0.00 C ATOM 469 CE1 PHE A 29 1.349 2.362 -8.077 1.00 0.00 C ATOM 470 CE2 PHE A 29 -0.713 3.212 -7.126 1.00 0.00 C ATOM 471 CZ PHE A 29 -0.040 2.527 -8.144 1.00 0.00 C ATOM 0 H PHE A 29 2.408 4.560 -2.398 1.00 0.00 H new ATOM 0 HA PHE A 29 2.004 2.091 -4.050 1.00 0.00 H new ATOM 0 HB2 PHE A 29 1.550 4.870 -4.275 1.00 0.00 H new ATOM 0 HB3 PHE A 29 3.048 4.661 -5.161 1.00 0.00 H new ATOM 0 HD1 PHE A 29 3.135 2.759 -6.940 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.518 4.263 -5.257 1.00 0.00 H new ATOM 0 HE1 PHE A 29 1.869 1.832 -8.861 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -1.784 3.338 -7.177 1.00 0.00 H new ATOM 0 HZ PHE A 29 -0.592 2.126 -8.981 1.00 0.00 H new ATOM 481 N THR A 30 4.358 1.734 -4.887 1.00 0.00 N ATOM 482 CA THR A 30 5.788 1.364 -5.096 1.00 0.00 C ATOM 483 C THR A 30 6.549 2.533 -5.727 1.00 0.00 C ATOM 484 O THR A 30 5.986 3.572 -6.008 1.00 0.00 O ATOM 485 CB THR A 30 5.757 0.171 -6.051 1.00 0.00 C ATOM 486 OG1 THR A 30 4.855 0.443 -7.115 1.00 0.00 O ATOM 487 CG2 THR A 30 5.302 -1.082 -5.300 1.00 0.00 C ATOM 0 H THR A 30 3.687 1.213 -5.452 1.00 0.00 H new ATOM 0 HA THR A 30 6.291 1.123 -4.160 1.00 0.00 H new ATOM 0 HB THR A 30 6.756 0.003 -6.453 1.00 0.00 H new ATOM 0 HG1 THR A 30 5.231 1.140 -7.692 1.00 0.00 H new ATOM 0 HG21 THR A 30 5.282 -1.930 -5.985 1.00 0.00 H new ATOM 0 HG22 THR A 30 5.996 -1.290 -4.486 1.00 0.00 H new ATOM 0 HG23 THR A 30 4.304 -0.920 -4.893 1.00 0.00 H new ATOM 495 N SER A 31 7.823 2.371 -5.955 1.00 0.00 N ATOM 496 CA SER A 31 8.616 3.472 -6.571 1.00 0.00 C ATOM 497 C SER A 31 8.467 3.439 -8.095 1.00 0.00 C ATOM 498 O SER A 31 7.706 2.661 -8.635 1.00 0.00 O ATOM 499 CB SER A 31 10.063 3.193 -6.167 1.00 0.00 C ATOM 500 OG SER A 31 10.448 1.914 -6.652 1.00 0.00 O ATOM 0 H SER A 31 8.349 1.524 -5.741 1.00 0.00 H new ATOM 0 HA SER A 31 8.285 4.456 -6.240 1.00 0.00 H new ATOM 0 HB2 SER A 31 10.721 3.962 -6.573 1.00 0.00 H new ATOM 0 HB3 SER A 31 10.163 3.228 -5.082 1.00 0.00 H new ATOM 0 HG SER A 31 11.376 1.733 -6.396 1.00 0.00 H new ATOM 506 N ASN A 32 9.187 4.276 -8.791 1.00 0.00 N ATOM 507 CA ASN A 32 9.085 4.286 -10.280 1.00 0.00 C ATOM 508 C ASN A 32 10.112 3.326 -10.887 1.00 0.00 C ATOM 509 O ASN A 32 9.811 2.567 -11.788 1.00 0.00 O ATOM 510 CB ASN A 32 9.387 5.728 -10.691 1.00 0.00 C ATOM 511 CG ASN A 32 8.794 5.998 -12.075 1.00 0.00 C ATOM 512 OD1 ASN A 32 8.625 5.090 -12.864 1.00 0.00 O ATOM 513 ND2 ASN A 32 8.469 7.218 -12.406 1.00 0.00 N ATOM 0 H ASN A 32 9.840 4.952 -8.395 1.00 0.00 H new ATOM 0 HA ASN A 32 8.104 3.962 -10.628 1.00 0.00 H new ATOM 0 HB2 ASN A 32 8.967 6.421 -9.962 1.00 0.00 H new ATOM 0 HB3 ASN A 32 10.464 5.895 -10.706 1.00 0.00 H new ATOM 0 HD21 ASN A 32 8.073 7.408 -13.327 1.00 0.00 H new ATOM 0 HD22 ASN A 32 8.611 7.981 -11.744 1.00 0.00 H new ATOM 520 N SER A 33 11.323 3.353 -10.400 1.00 0.00 N ATOM 521 CA SER A 33 12.369 2.442 -10.949 1.00 0.00 C ATOM 522 C SER A 33 11.990 0.978 -10.699 1.00 0.00 C ATOM 523 O SER A 33 12.537 0.075 -11.301 1.00 0.00 O ATOM 524 CB SER A 33 13.645 2.801 -10.188 1.00 0.00 C ATOM 525 OG SER A 33 14.765 2.242 -10.863 1.00 0.00 O ATOM 0 H SER A 33 11.634 3.966 -9.646 1.00 0.00 H new ATOM 0 HA SER A 33 12.488 2.557 -12.026 1.00 0.00 H new ATOM 0 HB2 SER A 33 13.750 3.884 -10.120 1.00 0.00 H new ATOM 0 HB3 SER A 33 13.593 2.421 -9.168 1.00 0.00 H new ATOM 0 HG SER A 33 15.586 2.471 -10.379 1.00 0.00 H new ATOM 531 N CYS A 34 11.060 0.733 -9.813 1.00 0.00 N ATOM 532 CA CYS A 34 10.654 -0.674 -9.526 1.00 0.00 C ATOM 533 C CYS A 34 10.322 -1.411 -10.827 1.00 0.00 C ATOM 534 O CYS A 34 9.928 -0.815 -11.809 1.00 0.00 O ATOM 535 CB CYS A 34 9.412 -0.555 -8.644 1.00 0.00 C ATOM 536 SG CYS A 34 8.968 -2.190 -8.005 1.00 0.00 S ATOM 0 H CYS A 34 10.565 1.446 -9.277 1.00 0.00 H new ATOM 0 HA CYS A 34 11.448 -1.240 -9.039 1.00 0.00 H new ATOM 0 HB2 CYS A 34 9.603 0.130 -7.818 1.00 0.00 H new ATOM 0 HB3 CYS A 34 8.584 -0.140 -9.218 1.00 0.00 H new ATOM 541 N SER A 35 10.483 -2.706 -10.839 1.00 0.00 N ATOM 542 CA SER A 35 10.183 -3.488 -12.075 1.00 0.00 C ATOM 543 C SER A 35 8.678 -3.749 -12.201 1.00 0.00 C ATOM 544 O SER A 35 8.192 -4.125 -13.250 1.00 0.00 O ATOM 545 CB SER A 35 10.938 -4.804 -11.898 1.00 0.00 C ATOM 546 OG SER A 35 12.310 -4.604 -12.214 1.00 0.00 O ATOM 0 H SER A 35 10.810 -3.258 -10.046 1.00 0.00 H new ATOM 0 HA SER A 35 10.483 -2.956 -12.978 1.00 0.00 H new ATOM 0 HB2 SER A 35 10.837 -5.160 -10.873 1.00 0.00 H new ATOM 0 HB3 SER A 35 10.512 -5.571 -12.545 1.00 0.00 H new ATOM 0 HG SER A 35 12.798 -5.446 -12.100 1.00 0.00 H new ATOM 552 N GLN A 36 7.935 -3.555 -11.145 1.00 0.00 N ATOM 553 CA GLN A 36 6.465 -3.796 -11.219 1.00 0.00 C ATOM 554 C GLN A 36 5.723 -2.838 -10.284 1.00 0.00 C ATOM 555 O GLN A 36 5.559 -3.104 -9.110 1.00 0.00 O ATOM 556 CB GLN A 36 6.278 -5.243 -10.764 1.00 0.00 C ATOM 557 CG GLN A 36 5.366 -5.974 -11.752 1.00 0.00 C ATOM 558 CD GLN A 36 4.567 -7.049 -11.013 1.00 0.00 C ATOM 559 OE1 GLN A 36 3.379 -6.907 -10.807 1.00 0.00 O ATOM 560 NE2 GLN A 36 5.174 -8.129 -10.602 1.00 0.00 N ATOM 0 H GLN A 36 8.280 -3.241 -10.238 1.00 0.00 H new ATOM 0 HA GLN A 36 6.069 -3.629 -12.221 1.00 0.00 H new ATOM 0 HB2 GLN A 36 7.244 -5.745 -10.705 1.00 0.00 H new ATOM 0 HB3 GLN A 36 5.844 -5.268 -9.765 1.00 0.00 H new ATOM 0 HG2 GLN A 36 4.688 -5.266 -12.229 1.00 0.00 H new ATOM 0 HG3 GLN A 36 5.961 -6.429 -12.544 1.00 0.00 H new ATOM 0 HE21 GLN A 36 6.172 -8.250 -10.774 1.00 0.00 H new ATOM 0 HE22 GLN A 36 4.650 -8.852 -10.109 1.00 0.00 H new ATOM 569 N ARG A 37 5.273 -1.726 -10.795 1.00 0.00 N ATOM 570 CA ARG A 37 4.541 -0.755 -9.934 1.00 0.00 C ATOM 571 C ARG A 37 3.325 -1.434 -9.299 1.00 0.00 C ATOM 572 O ARG A 37 2.572 -2.124 -9.958 1.00 0.00 O ATOM 573 CB ARG A 37 4.103 0.365 -10.879 1.00 0.00 C ATOM 574 CG ARG A 37 3.300 -0.224 -12.041 1.00 0.00 C ATOM 575 CD ARG A 37 4.027 0.055 -13.358 1.00 0.00 C ATOM 576 NE ARG A 37 3.237 1.135 -14.010 1.00 0.00 N ATOM 577 CZ ARG A 37 3.835 2.210 -14.444 1.00 0.00 C ATOM 578 NH1 ARG A 37 4.392 2.216 -15.624 1.00 0.00 N ATOM 579 NH2 ARG A 37 3.875 3.281 -13.698 1.00 0.00 N ATOM 0 H ARG A 37 5.380 -1.448 -11.770 1.00 0.00 H new ATOM 0 HA ARG A 37 5.157 -0.376 -9.118 1.00 0.00 H new ATOM 0 HB2 ARG A 37 3.498 1.094 -10.339 1.00 0.00 H new ATOM 0 HB3 ARG A 37 4.976 0.895 -11.260 1.00 0.00 H new ATOM 0 HG2 ARG A 37 3.175 -1.298 -11.903 1.00 0.00 H new ATOM 0 HG3 ARG A 37 2.302 0.213 -12.065 1.00 0.00 H new ATOM 0 HD2 ARG A 37 5.056 0.369 -13.182 1.00 0.00 H new ATOM 0 HD3 ARG A 37 4.068 -0.837 -13.983 1.00 0.00 H new ATOM 0 HE ARG A 37 2.228 1.034 -14.117 1.00 0.00 H new ATOM 0 HH11 ARG A 37 4.360 1.380 -16.207 1.00 0.00 H new ATOM 0 HH12 ARG A 37 4.859 3.057 -15.963 1.00 0.00 H new ATOM 0 HH21 ARG A 37 3.439 3.277 -12.776 1.00 0.00 H new ATOM 0 HH22 ARG A 37 4.343 4.122 -14.037 1.00 0.00 H new ATOM 593 N ALA A 38 3.130 -1.249 -8.022 1.00 0.00 N ATOM 594 CA ALA A 38 1.967 -1.887 -7.349 1.00 0.00 C ATOM 595 C ALA A 38 1.601 -1.120 -6.074 1.00 0.00 C ATOM 596 O ALA A 38 2.429 -0.466 -5.472 1.00 0.00 O ATOM 597 CB ALA A 38 2.435 -3.303 -7.012 1.00 0.00 C ATOM 0 H ALA A 38 3.726 -0.684 -7.417 1.00 0.00 H new ATOM 0 HA ALA A 38 1.077 -1.891 -7.978 1.00 0.00 H new ATOM 0 HB1 ALA A 38 1.631 -3.842 -6.511 1.00 0.00 H new ATOM 0 HB2 ALA A 38 2.705 -3.825 -7.930 1.00 0.00 H new ATOM 0 HB3 ALA A 38 3.303 -3.253 -6.354 1.00 0.00 H new ATOM 603 N VAL A 39 0.366 -1.202 -5.657 1.00 0.00 N ATOM 604 CA VAL A 39 -0.055 -0.485 -4.419 1.00 0.00 C ATOM 605 C VAL A 39 0.205 -1.369 -3.198 1.00 0.00 C ATOM 606 O VAL A 39 0.401 -2.560 -3.318 1.00 0.00 O ATOM 607 CB VAL A 39 -1.554 -0.234 -4.600 1.00 0.00 C ATOM 608 CG1 VAL A 39 -2.148 0.330 -3.307 1.00 0.00 C ATOM 609 CG2 VAL A 39 -1.764 0.773 -5.734 1.00 0.00 C ATOM 0 H VAL A 39 -0.370 -1.735 -6.121 1.00 0.00 H new ATOM 0 HA VAL A 39 0.493 0.444 -4.263 1.00 0.00 H new ATOM 0 HB VAL A 39 -2.049 -1.174 -4.842 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -3.215 0.506 -3.443 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.999 -0.383 -2.496 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.654 1.269 -3.059 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.831 0.955 -5.866 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -1.264 1.709 -5.486 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -1.347 0.373 -6.658 1.00 0.00 H new ATOM 619 N ILE A 40 0.216 -0.798 -2.026 1.00 0.00 N ATOM 620 CA ILE A 40 0.469 -1.614 -0.809 1.00 0.00 C ATOM 621 C ILE A 40 -0.463 -1.173 0.326 1.00 0.00 C ATOM 622 O ILE A 40 -0.866 -0.031 0.408 1.00 0.00 O ATOM 623 CB ILE A 40 1.938 -1.340 -0.458 1.00 0.00 C ATOM 624 CG1 ILE A 40 2.845 -2.076 -1.445 1.00 0.00 C ATOM 625 CG2 ILE A 40 2.248 -1.828 0.960 1.00 0.00 C ATOM 626 CD1 ILE A 40 4.185 -1.347 -1.551 1.00 0.00 C ATOM 0 H ILE A 40 0.061 0.196 -1.860 1.00 0.00 H new ATOM 0 HA ILE A 40 0.282 -2.676 -0.966 1.00 0.00 H new ATOM 0 HB ILE A 40 2.115 -0.266 -0.515 1.00 0.00 H new ATOM 0 HG12 ILE A 40 3.003 -3.102 -1.114 1.00 0.00 H new ATOM 0 HG13 ILE A 40 2.369 -2.127 -2.424 1.00 0.00 H new ATOM 0 HG21 ILE A 40 3.293 -1.627 1.194 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.610 -1.305 1.672 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.062 -2.900 1.025 1.00 0.00 H new ATOM 0 HD11 ILE A 40 4.830 -1.873 -2.255 1.00 0.00 H new ATOM 0 HD12 ILE A 40 4.018 -0.329 -1.902 1.00 0.00 H new ATOM 0 HD13 ILE A 40 4.663 -1.319 -0.572 1.00 0.00 H new ATOM 638 N PHE A 41 -0.784 -2.075 1.208 1.00 0.00 N ATOM 639 CA PHE A 41 -1.665 -1.733 2.358 1.00 0.00 C ATOM 640 C PHE A 41 -0.973 -2.180 3.644 1.00 0.00 C ATOM 641 O PHE A 41 -0.776 -3.359 3.870 1.00 0.00 O ATOM 642 CB PHE A 41 -2.952 -2.526 2.127 1.00 0.00 C ATOM 643 CG PHE A 41 -3.715 -1.927 0.970 1.00 0.00 C ATOM 644 CD1 PHE A 41 -4.035 -0.565 0.975 1.00 0.00 C ATOM 645 CD2 PHE A 41 -4.104 -2.734 -0.106 1.00 0.00 C ATOM 646 CE1 PHE A 41 -4.744 -0.007 -0.096 1.00 0.00 C ATOM 647 CE2 PHE A 41 -4.813 -2.177 -1.177 1.00 0.00 C ATOM 648 CZ PHE A 41 -5.133 -0.813 -1.173 1.00 0.00 C ATOM 0 H PHE A 41 -0.470 -3.045 1.181 1.00 0.00 H new ATOM 0 HA PHE A 41 -1.873 -0.666 2.442 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -2.716 -3.569 1.919 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -3.566 -2.512 3.027 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -3.735 0.057 1.806 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -3.857 -3.785 -0.110 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -4.991 1.044 -0.091 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -5.114 -2.799 -2.007 1.00 0.00 H new ATOM 0 HZ PHE A 41 -5.679 -0.384 -2.000 1.00 0.00 H new ATOM 658 N THR A 42 -0.567 -1.261 4.474 1.00 0.00 N ATOM 659 CA THR A 42 0.150 -1.664 5.716 1.00 0.00 C ATOM 660 C THR A 42 -0.827 -1.964 6.857 1.00 0.00 C ATOM 661 O THR A 42 -1.869 -1.350 6.978 1.00 0.00 O ATOM 662 CB THR A 42 1.051 -0.478 6.076 1.00 0.00 C ATOM 663 OG1 THR A 42 1.333 0.286 4.910 1.00 0.00 O ATOM 664 CG2 THR A 42 2.358 -1.000 6.669 1.00 0.00 C ATOM 0 H THR A 42 -0.699 -0.257 4.349 1.00 0.00 H new ATOM 0 HA THR A 42 0.722 -2.578 5.559 1.00 0.00 H new ATOM 0 HB THR A 42 0.542 0.154 6.804 1.00 0.00 H new ATOM 0 HG1 THR A 42 1.908 1.044 5.146 1.00 0.00 H new ATOM 0 HG21 THR A 42 3.002 -0.159 6.927 1.00 0.00 H new ATOM 0 HG22 THR A 42 2.144 -1.581 7.566 1.00 0.00 H new ATOM 0 HG23 THR A 42 2.862 -1.633 5.938 1.00 0.00 H new ATOM 672 N THR A 43 -0.485 -2.908 7.696 1.00 0.00 N ATOM 673 CA THR A 43 -1.376 -3.263 8.837 1.00 0.00 C ATOM 674 C THR A 43 -0.930 -2.541 10.111 1.00 0.00 C ATOM 675 O THR A 43 0.031 -1.798 10.111 1.00 0.00 O ATOM 676 CB THR A 43 -1.230 -4.777 9.003 1.00 0.00 C ATOM 677 OG1 THR A 43 0.135 -5.098 9.228 1.00 0.00 O ATOM 678 CG2 THR A 43 -1.721 -5.483 7.740 1.00 0.00 C ATOM 0 H THR A 43 0.377 -3.450 7.638 1.00 0.00 H new ATOM 0 HA THR A 43 -2.409 -2.969 8.653 1.00 0.00 H new ATOM 0 HB THR A 43 -1.826 -5.107 9.854 1.00 0.00 H new ATOM 0 HG1 THR A 43 0.599 -5.175 8.368 1.00 0.00 H new ATOM 0 HG21 THR A 43 -1.616 -6.561 7.861 1.00 0.00 H new ATOM 0 HG22 THR A 43 -2.769 -5.238 7.570 1.00 0.00 H new ATOM 0 HG23 THR A 43 -1.129 -5.155 6.886 1.00 0.00 H new ATOM 686 N LYS A 44 -1.623 -2.758 11.195 1.00 0.00 N ATOM 687 CA LYS A 44 -1.249 -2.087 12.473 1.00 0.00 C ATOM 688 C LYS A 44 -0.211 -2.919 13.233 1.00 0.00 C ATOM 689 O LYS A 44 0.468 -2.428 14.114 1.00 0.00 O ATOM 690 CB LYS A 44 -2.552 -2.002 13.269 1.00 0.00 C ATOM 691 CG LYS A 44 -3.412 -0.862 12.719 1.00 0.00 C ATOM 692 CD LYS A 44 -3.737 0.121 13.844 1.00 0.00 C ATOM 693 CE LYS A 44 -4.412 1.362 13.257 1.00 0.00 C ATOM 694 NZ LYS A 44 -3.580 2.507 13.723 1.00 0.00 N ATOM 0 H LYS A 44 -2.435 -3.373 11.251 1.00 0.00 H new ATOM 0 HA LYS A 44 -0.804 -1.106 12.306 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -3.094 -2.945 13.202 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -2.336 -1.833 14.324 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -2.884 -0.349 11.915 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.333 -1.260 12.292 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.393 -0.351 14.576 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -2.825 0.404 14.369 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -4.446 1.316 12.169 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -5.441 1.454 13.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -3.979 3.396 13.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -3.571 2.529 14.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -2.608 2.395 13.371 1.00 0.00 H new ATOM 708 N ARG A 45 -0.083 -4.176 12.904 1.00 0.00 N ATOM 709 CA ARG A 45 0.910 -5.035 13.612 1.00 0.00 C ATOM 710 C ARG A 45 2.316 -4.833 13.031 1.00 0.00 C ATOM 711 O ARG A 45 3.262 -5.473 13.446 1.00 0.00 O ATOM 712 CB ARG A 45 0.432 -6.467 13.371 1.00 0.00 C ATOM 713 CG ARG A 45 0.918 -7.369 14.506 1.00 0.00 C ATOM 714 CD ARG A 45 0.391 -8.790 14.292 1.00 0.00 C ATOM 715 NE ARG A 45 -0.616 -8.992 15.369 1.00 0.00 N ATOM 716 CZ ARG A 45 -0.299 -9.667 16.439 1.00 0.00 C ATOM 717 NH1 ARG A 45 -0.089 -10.952 16.363 1.00 0.00 N ATOM 718 NH2 ARG A 45 -0.191 -9.055 17.588 1.00 0.00 N ATOM 0 H ARG A 45 -0.622 -4.645 12.176 1.00 0.00 H new ATOM 0 HA ARG A 45 0.975 -4.794 14.673 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -0.656 -6.493 13.313 1.00 0.00 H new ATOM 0 HB3 ARG A 45 0.811 -6.831 12.416 1.00 0.00 H new ATOM 0 HG2 ARG A 45 2.007 -7.375 14.538 1.00 0.00 H new ATOM 0 HG3 ARG A 45 0.573 -6.982 15.465 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -0.059 -8.900 13.305 1.00 0.00 H new ATOM 0 HD3 ARG A 45 1.194 -9.524 14.360 1.00 0.00 H new ATOM 0 HE ARG A 45 -1.554 -8.603 15.270 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -0.173 -11.430 15.466 1.00 0.00 H new ATOM 0 HH12 ARG A 45 0.159 -11.479 17.201 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -0.355 -8.050 17.648 1.00 0.00 H new ATOM 0 HH22 ARG A 45 0.057 -9.582 18.425 1.00 0.00 H new ATOM 732 N GLY A 46 2.466 -3.952 12.077 1.00 0.00 N ATOM 733 CA GLY A 46 3.815 -3.723 11.484 1.00 0.00 C ATOM 734 C GLY A 46 4.006 -4.644 10.278 1.00 0.00 C ATOM 735 O GLY A 46 5.115 -4.983 9.913 1.00 0.00 O ATOM 0 H GLY A 46 1.716 -3.384 11.685 1.00 0.00 H new ATOM 0 HA2 GLY A 46 3.918 -2.682 11.179 1.00 0.00 H new ATOM 0 HA3 GLY A 46 4.588 -3.915 12.228 1.00 0.00 H new ATOM 739 N LYS A 47 2.935 -5.055 9.657 1.00 0.00 N ATOM 740 CA LYS A 47 3.057 -5.953 8.477 1.00 0.00 C ATOM 741 C LYS A 47 2.578 -5.235 7.213 1.00 0.00 C ATOM 742 O LYS A 47 1.467 -4.750 7.147 1.00 0.00 O ATOM 743 CB LYS A 47 2.157 -7.149 8.792 1.00 0.00 C ATOM 744 CG LYS A 47 2.949 -8.447 8.616 1.00 0.00 C ATOM 745 CD LYS A 47 2.880 -9.267 9.905 1.00 0.00 C ATOM 746 CE LYS A 47 2.942 -10.758 9.566 1.00 0.00 C ATOM 747 NZ LYS A 47 3.205 -11.437 10.865 1.00 0.00 N ATOM 0 H LYS A 47 1.980 -4.807 9.917 1.00 0.00 H new ATOM 0 HA LYS A 47 4.088 -6.258 8.295 1.00 0.00 H new ATOM 0 HB2 LYS A 47 1.781 -7.076 9.813 1.00 0.00 H new ATOM 0 HB3 LYS A 47 1.289 -7.148 8.132 1.00 0.00 H new ATOM 0 HG2 LYS A 47 2.543 -9.023 7.784 1.00 0.00 H new ATOM 0 HG3 LYS A 47 3.987 -8.222 8.371 1.00 0.00 H new ATOM 0 HD2 LYS A 47 3.706 -8.998 10.564 1.00 0.00 H new ATOM 0 HD3 LYS A 47 1.958 -9.043 10.442 1.00 0.00 H new ATOM 0 HE2 LYS A 47 2.007 -11.101 9.123 1.00 0.00 H new ATOM 0 HE3 LYS A 47 3.732 -10.966 8.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 3.261 -12.465 10.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 4.105 -11.095 11.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 2.433 -11.226 11.529 1.00 0.00 H new ATOM 761 N LYS A 48 3.410 -5.161 6.211 1.00 0.00 N ATOM 762 CA LYS A 48 3.004 -4.471 4.952 1.00 0.00 C ATOM 763 C LYS A 48 2.658 -5.498 3.871 1.00 0.00 C ATOM 764 O LYS A 48 3.359 -6.472 3.678 1.00 0.00 O ATOM 765 CB LYS A 48 4.226 -3.651 4.542 1.00 0.00 C ATOM 766 CG LYS A 48 3.886 -2.808 3.310 1.00 0.00 C ATOM 767 CD LYS A 48 4.362 -1.372 3.528 1.00 0.00 C ATOM 768 CE LYS A 48 5.593 -1.101 2.660 1.00 0.00 C ATOM 769 NZ LYS A 48 6.575 -2.152 3.039 1.00 0.00 N ATOM 0 H LYS A 48 4.354 -5.548 6.209 1.00 0.00 H new ATOM 0 HA LYS A 48 2.120 -3.848 5.089 1.00 0.00 H new ATOM 0 HB2 LYS A 48 4.536 -3.005 5.363 1.00 0.00 H new ATOM 0 HB3 LYS A 48 5.064 -4.313 4.323 1.00 0.00 H new ATOM 0 HG2 LYS A 48 4.362 -3.230 2.425 1.00 0.00 H new ATOM 0 HG3 LYS A 48 2.811 -2.823 3.131 1.00 0.00 H new ATOM 0 HD2 LYS A 48 3.565 -0.672 3.276 1.00 0.00 H new ATOM 0 HD3 LYS A 48 4.604 -1.214 4.579 1.00 0.00 H new ATOM 0 HE2 LYS A 48 5.347 -1.156 1.600 1.00 0.00 H new ATOM 0 HE3 LYS A 48 5.993 -0.104 2.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 7.538 -1.816 2.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 6.486 -2.361 4.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 6.389 -3.015 2.490 1.00 0.00 H new ATOM 783 N VAL A 49 1.581 -5.288 3.165 1.00 0.00 N ATOM 784 CA VAL A 49 1.190 -6.255 2.096 1.00 0.00 C ATOM 785 C VAL A 49 1.134 -5.552 0.735 1.00 0.00 C ATOM 786 O VAL A 49 0.641 -4.448 0.618 1.00 0.00 O ATOM 787 CB VAL A 49 -0.199 -6.752 2.499 1.00 0.00 C ATOM 788 CG1 VAL A 49 -0.658 -7.838 1.523 1.00 0.00 C ATOM 789 CG2 VAL A 49 -0.139 -7.334 3.914 1.00 0.00 C ATOM 0 H VAL A 49 0.955 -4.491 3.280 1.00 0.00 H new ATOM 0 HA VAL A 49 1.905 -7.072 2.000 1.00 0.00 H new ATOM 0 HB VAL A 49 -0.903 -5.920 2.474 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -1.648 -8.191 1.811 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -0.699 -7.427 0.514 1.00 0.00 H new ATOM 0 HG13 VAL A 49 0.046 -8.670 1.547 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -1.128 -7.689 4.204 1.00 0.00 H new ATOM 0 HG22 VAL A 49 0.566 -8.165 3.936 1.00 0.00 H new ATOM 0 HG23 VAL A 49 0.188 -6.563 4.611 1.00 0.00 H new ATOM 799 N CYS A 50 1.640 -6.182 -0.293 1.00 0.00 N ATOM 800 CA CYS A 50 1.616 -5.544 -1.644 1.00 0.00 C ATOM 801 C CYS A 50 0.290 -5.836 -2.351 1.00 0.00 C ATOM 802 O CYS A 50 -0.401 -6.785 -2.037 1.00 0.00 O ATOM 803 CB CYS A 50 2.777 -6.187 -2.409 1.00 0.00 C ATOM 804 SG CYS A 50 4.333 -5.384 -1.948 1.00 0.00 S ATOM 0 H CYS A 50 2.067 -7.107 -0.257 1.00 0.00 H new ATOM 0 HA CYS A 50 1.712 -4.460 -1.584 1.00 0.00 H new ATOM 0 HB2 CYS A 50 2.827 -7.253 -2.185 1.00 0.00 H new ATOM 0 HB3 CYS A 50 2.613 -6.094 -3.483 1.00 0.00 H new ATOM 809 N THR A 51 -0.066 -5.023 -3.309 1.00 0.00 N ATOM 810 CA THR A 51 -1.341 -5.242 -4.048 1.00 0.00 C ATOM 811 C THR A 51 -1.262 -4.576 -5.425 1.00 0.00 C ATOM 812 O THR A 51 -0.309 -3.890 -5.736 1.00 0.00 O ATOM 813 CB THR A 51 -2.417 -4.576 -3.188 1.00 0.00 C ATOM 814 OG1 THR A 51 -1.925 -3.337 -2.693 1.00 0.00 O ATOM 815 CG2 THR A 51 -2.776 -5.490 -2.016 1.00 0.00 C ATOM 0 H THR A 51 0.475 -4.213 -3.612 1.00 0.00 H new ATOM 0 HA THR A 51 -1.553 -6.298 -4.213 1.00 0.00 H new ATOM 0 HB THR A 51 -3.307 -4.399 -3.792 1.00 0.00 H new ATOM 0 HG1 THR A 51 -2.553 -2.976 -2.033 1.00 0.00 H new ATOM 0 HG21 THR A 51 -3.543 -5.014 -1.405 1.00 0.00 H new ATOM 0 HG22 THR A 51 -3.153 -6.439 -2.397 1.00 0.00 H new ATOM 0 HG23 THR A 51 -1.888 -5.670 -1.410 1.00 0.00 H new ATOM 823 N HIS A 52 -2.251 -4.771 -6.252 1.00 0.00 N ATOM 824 CA HIS A 52 -2.221 -4.147 -7.604 1.00 0.00 C ATOM 825 C HIS A 52 -3.156 -2.931 -7.650 1.00 0.00 C ATOM 826 O HIS A 52 -4.173 -2.912 -6.986 1.00 0.00 O ATOM 827 CB HIS A 52 -2.708 -5.236 -8.558 1.00 0.00 C ATOM 828 CG HIS A 52 -1.685 -5.447 -9.641 1.00 0.00 C ATOM 829 ND1 HIS A 52 -0.325 -5.474 -9.377 1.00 0.00 N ATOM 830 CD2 HIS A 52 -1.810 -5.641 -10.994 1.00 0.00 C ATOM 831 CE1 HIS A 52 0.310 -5.676 -10.547 1.00 0.00 C ATOM 832 NE2 HIS A 52 -0.549 -5.785 -11.564 1.00 0.00 N ATOM 0 H HIS A 52 -3.077 -5.334 -6.051 1.00 0.00 H new ATOM 0 HA HIS A 52 -1.226 -3.791 -7.870 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -2.873 -6.165 -8.013 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -3.664 -4.950 -8.996 1.00 0.00 H new ATOM 0 HD1 HIS A 52 0.115 -5.361 -8.464 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -2.745 -5.676 -11.534 1.00 0.00 H new ATOM 0 HE1 HIS A 52 1.383 -5.742 -10.651 1.00 0.00 H new ATOM 840 N PRO A 53 -2.780 -1.949 -8.431 1.00 0.00 N ATOM 841 CA PRO A 53 -3.602 -0.723 -8.552 1.00 0.00 C ATOM 842 C PRO A 53 -4.795 -0.965 -9.481 1.00 0.00 C ATOM 843 O PRO A 53 -5.832 -0.345 -9.348 1.00 0.00 O ATOM 844 CB PRO A 53 -2.642 0.294 -9.162 1.00 0.00 C ATOM 845 CG PRO A 53 -1.619 -0.516 -9.898 1.00 0.00 C ATOM 846 CD PRO A 53 -1.570 -1.885 -9.261 1.00 0.00 C ATOM 0 HA PRO A 53 -4.019 -0.394 -7.600 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -3.165 0.973 -9.836 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -2.177 0.907 -8.390 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -1.881 -0.595 -10.953 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -0.642 -0.035 -9.847 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -1.563 -2.673 -10.014 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -0.669 -2.011 -8.660 1.00 0.00 H new ATOM 854 N ARG A 54 -4.657 -1.859 -10.422 1.00 0.00 N ATOM 855 CA ARG A 54 -5.786 -2.133 -11.358 1.00 0.00 C ATOM 856 C ARG A 54 -7.014 -2.610 -10.581 1.00 0.00 C ATOM 857 O ARG A 54 -8.129 -2.220 -10.865 1.00 0.00 O ATOM 858 CB ARG A 54 -5.279 -3.235 -12.286 1.00 0.00 C ATOM 859 CG ARG A 54 -6.181 -3.315 -13.519 1.00 0.00 C ATOM 860 CD ARG A 54 -5.968 -4.658 -14.223 1.00 0.00 C ATOM 861 NE ARG A 54 -7.082 -4.755 -15.207 1.00 0.00 N ATOM 862 CZ ARG A 54 -7.786 -5.852 -15.290 1.00 0.00 C ATOM 863 NH1 ARG A 54 -7.191 -7.013 -15.270 1.00 0.00 N ATOM 864 NH2 ARG A 54 -9.085 -5.787 -15.393 1.00 0.00 N ATOM 0 H ARG A 54 -3.814 -2.410 -10.583 1.00 0.00 H new ATOM 0 HA ARG A 54 -6.085 -1.243 -11.911 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -4.252 -3.029 -12.586 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -5.273 -4.192 -11.763 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -7.225 -3.208 -13.226 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -5.956 -2.495 -14.201 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -4.998 -4.695 -14.719 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -5.994 -5.485 -13.513 1.00 0.00 H new ATOM 0 HE ARG A 54 -7.295 -3.965 -15.816 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -6.175 -7.064 -15.189 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -7.741 -7.869 -15.335 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -9.551 -4.880 -15.409 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -9.635 -6.644 -15.458 1.00 0.00 H new ATOM 878 N LYS A 55 -6.823 -3.449 -9.600 1.00 0.00 N ATOM 879 CA LYS A 55 -7.986 -3.943 -8.809 1.00 0.00 C ATOM 880 C LYS A 55 -8.782 -2.757 -8.260 1.00 0.00 C ATOM 881 O LYS A 55 -8.264 -1.931 -7.535 1.00 0.00 O ATOM 882 CB LYS A 55 -7.377 -4.759 -7.668 1.00 0.00 C ATOM 883 CG LYS A 55 -7.726 -6.238 -7.854 1.00 0.00 C ATOM 884 CD LYS A 55 -6.440 -7.065 -7.882 1.00 0.00 C ATOM 885 CE LYS A 55 -5.788 -6.950 -9.260 1.00 0.00 C ATOM 886 NZ LYS A 55 -6.286 -8.131 -10.020 1.00 0.00 N ATOM 0 H LYS A 55 -5.915 -3.813 -9.312 1.00 0.00 H new ATOM 0 HA LYS A 55 -8.673 -4.541 -9.408 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -6.295 -4.629 -7.651 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -7.756 -4.403 -6.710 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -8.371 -6.576 -7.042 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -8.281 -6.378 -8.781 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -5.753 -6.714 -7.113 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -6.662 -8.109 -7.659 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -6.066 -6.018 -9.752 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -4.701 -6.959 -9.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -5.882 -8.123 -10.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -6.001 -9.004 -9.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -7.323 -8.092 -10.081 1.00 0.00 H new ATOM 900 N LYS A 56 -10.035 -2.661 -8.609 1.00 0.00 N ATOM 901 CA LYS A 56 -10.863 -1.522 -8.118 1.00 0.00 C ATOM 902 C LYS A 56 -10.904 -1.499 -6.587 1.00 0.00 C ATOM 903 O LYS A 56 -10.806 -0.456 -5.972 1.00 0.00 O ATOM 904 CB LYS A 56 -12.259 -1.779 -8.687 1.00 0.00 C ATOM 905 CG LYS A 56 -12.538 -0.791 -9.821 1.00 0.00 C ATOM 906 CD LYS A 56 -14.041 -0.756 -10.110 1.00 0.00 C ATOM 907 CE LYS A 56 -14.454 0.665 -10.500 1.00 0.00 C ATOM 908 NZ LYS A 56 -15.427 0.491 -11.613 1.00 0.00 N ATOM 0 H LYS A 56 -10.522 -3.322 -9.214 1.00 0.00 H new ATOM 0 HA LYS A 56 -10.459 -0.559 -8.431 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -12.330 -2.802 -9.056 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -13.008 -1.670 -7.903 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -12.187 0.203 -9.546 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -11.991 -1.086 -10.717 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -14.283 -1.450 -10.915 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -14.599 -1.080 -9.231 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -14.906 1.190 -9.658 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -13.593 1.253 -10.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -15.756 1.423 -11.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -14.966 -0.005 -12.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -16.239 -0.067 -11.280 1.00 0.00 H new ATOM 922 N TRP A 57 -11.055 -2.637 -5.964 1.00 0.00 N ATOM 923 CA TRP A 57 -11.110 -2.662 -4.474 1.00 0.00 C ATOM 924 C TRP A 57 -9.857 -1.990 -3.884 1.00 0.00 C ATOM 925 O TRP A 57 -9.908 -1.361 -2.845 1.00 0.00 O ATOM 926 CB TRP A 57 -11.210 -4.159 -4.102 1.00 0.00 C ATOM 927 CG TRP A 57 -9.849 -4.772 -3.935 1.00 0.00 C ATOM 928 CD1 TRP A 57 -9.251 -5.601 -4.821 1.00 0.00 C ATOM 929 CD2 TRP A 57 -8.917 -4.610 -2.829 1.00 0.00 C ATOM 930 NE1 TRP A 57 -8.008 -5.956 -4.328 1.00 0.00 N ATOM 931 CE2 TRP A 57 -7.757 -5.370 -3.101 1.00 0.00 C ATOM 932 CE3 TRP A 57 -8.966 -3.883 -1.625 1.00 0.00 C ATOM 933 CZ2 TRP A 57 -6.682 -5.406 -2.213 1.00 0.00 C ATOM 934 CZ3 TRP A 57 -7.886 -3.917 -0.729 1.00 0.00 C ATOM 935 CH2 TRP A 57 -6.747 -4.679 -1.023 1.00 0.00 C ATOM 0 H TRP A 57 -11.142 -3.546 -6.419 1.00 0.00 H new ATOM 0 HA TRP A 57 -11.957 -2.107 -4.070 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -11.777 -4.269 -3.177 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -11.759 -4.693 -4.878 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -9.674 -5.931 -5.758 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -7.356 -6.575 -4.811 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -9.841 -3.295 -1.389 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -5.805 -5.992 -2.445 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -7.933 -3.353 0.191 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -5.920 -4.704 -0.329 1.00 0.00 H new ATOM 946 N VAL A 58 -8.736 -2.121 -4.544 1.00 0.00 N ATOM 947 CA VAL A 58 -7.487 -1.491 -4.023 1.00 0.00 C ATOM 948 C VAL A 58 -7.637 0.028 -4.032 1.00 0.00 C ATOM 949 O VAL A 58 -7.369 0.695 -3.052 1.00 0.00 O ATOM 950 CB VAL A 58 -6.383 -1.922 -4.985 1.00 0.00 C ATOM 951 CG1 VAL A 58 -5.042 -1.371 -4.504 1.00 0.00 C ATOM 952 CG2 VAL A 58 -6.315 -3.450 -5.037 1.00 0.00 C ATOM 0 H VAL A 58 -8.631 -2.635 -5.419 1.00 0.00 H new ATOM 0 HA VAL A 58 -7.267 -1.793 -2.999 1.00 0.00 H new ATOM 0 HB VAL A 58 -6.600 -1.534 -5.980 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -4.254 -1.679 -5.191 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -5.087 -0.283 -4.469 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -4.826 -1.758 -3.508 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -5.526 -3.756 -5.724 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -6.100 -3.839 -4.042 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -7.270 -3.845 -5.382 1.00 0.00 H new ATOM 962 N GLN A 59 -8.080 0.582 -5.128 1.00 0.00 N ATOM 963 CA GLN A 59 -8.264 2.055 -5.186 1.00 0.00 C ATOM 964 C GLN A 59 -9.263 2.465 -4.111 1.00 0.00 C ATOM 965 O GLN A 59 -9.241 3.571 -3.610 1.00 0.00 O ATOM 966 CB GLN A 59 -8.821 2.337 -6.582 1.00 0.00 C ATOM 967 CG GLN A 59 -7.739 2.063 -7.627 1.00 0.00 C ATOM 968 CD GLN A 59 -6.603 3.075 -7.463 1.00 0.00 C ATOM 969 OE1 GLN A 59 -6.799 4.259 -7.647 1.00 0.00 O ATOM 970 NE2 GLN A 59 -5.416 2.655 -7.123 1.00 0.00 N ATOM 0 H GLN A 59 -8.321 0.078 -5.981 1.00 0.00 H new ATOM 0 HA GLN A 59 -7.341 2.609 -5.013 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -9.692 1.709 -6.771 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -9.154 3.373 -6.650 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -7.356 1.049 -7.512 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -8.161 2.133 -8.630 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -5.252 1.660 -6.969 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -4.652 3.321 -7.012 1.00 0.00 H new ATOM 979 N LYS A 60 -10.136 1.566 -3.743 1.00 0.00 N ATOM 980 CA LYS A 60 -11.130 1.889 -2.691 1.00 0.00 C ATOM 981 C LYS A 60 -10.445 1.891 -1.325 1.00 0.00 C ATOM 982 O LYS A 60 -10.763 2.685 -0.462 1.00 0.00 O ATOM 983 CB LYS A 60 -12.176 0.777 -2.767 1.00 0.00 C ATOM 984 CG LYS A 60 -13.375 1.152 -1.895 1.00 0.00 C ATOM 985 CD LYS A 60 -14.634 0.466 -2.429 1.00 0.00 C ATOM 986 CE LYS A 60 -15.871 1.139 -1.831 1.00 0.00 C ATOM 987 NZ LYS A 60 -17.022 0.321 -2.303 1.00 0.00 N ATOM 0 H LYS A 60 -10.200 0.624 -4.128 1.00 0.00 H new ATOM 0 HA LYS A 60 -11.582 2.871 -2.831 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -12.494 0.631 -3.799 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -11.746 -0.166 -2.429 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -13.195 0.851 -0.863 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -13.511 2.233 -1.893 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -14.662 0.529 -3.517 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -14.622 -0.593 -2.171 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -15.822 1.159 -0.742 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -15.958 2.173 -2.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -17.908 0.722 -1.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -17.048 0.326 -3.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -16.916 -0.656 -1.964 1.00 0.00 H new ATOM 1001 N TYR A 61 -9.497 1.013 -1.121 1.00 0.00 N ATOM 1002 CA TYR A 61 -8.795 0.982 0.192 1.00 0.00 C ATOM 1003 C TYR A 61 -7.785 2.128 0.264 1.00 0.00 C ATOM 1004 O TYR A 61 -7.538 2.686 1.313 1.00 0.00 O ATOM 1005 CB TYR A 61 -8.088 -0.371 0.239 1.00 0.00 C ATOM 1006 CG TYR A 61 -8.885 -1.318 1.101 1.00 0.00 C ATOM 1007 CD1 TYR A 61 -10.073 -1.877 0.614 1.00 0.00 C ATOM 1008 CD2 TYR A 61 -8.440 -1.637 2.389 1.00 0.00 C ATOM 1009 CE1 TYR A 61 -10.815 -2.754 1.413 1.00 0.00 C ATOM 1010 CE2 TYR A 61 -9.182 -2.514 3.189 1.00 0.00 C ATOM 1011 CZ TYR A 61 -10.370 -3.073 2.702 1.00 0.00 C ATOM 1012 OH TYR A 61 -11.102 -3.938 3.490 1.00 0.00 O ATOM 0 H TYR A 61 -9.182 0.322 -1.802 1.00 0.00 H new ATOM 0 HA TYR A 61 -9.477 1.103 1.033 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -7.985 -0.776 -0.768 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -7.081 -0.255 0.640 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -10.417 -1.631 -0.380 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -7.524 -1.206 2.766 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -11.731 -3.185 1.036 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -8.838 -2.760 4.183 1.00 0.00 H new ATOM 0 HH TYR A 61 -10.583 -4.173 4.287 1.00 0.00 H new ATOM 1022 N ILE A 62 -7.211 2.490 -0.850 1.00 0.00 N ATOM 1023 CA ILE A 62 -6.228 3.611 -0.849 1.00 0.00 C ATOM 1024 C ILE A 62 -6.933 4.910 -0.454 1.00 0.00 C ATOM 1025 O ILE A 62 -6.482 5.636 0.410 1.00 0.00 O ATOM 1026 CB ILE A 62 -5.712 3.694 -2.286 1.00 0.00 C ATOM 1027 CG1 ILE A 62 -4.936 2.420 -2.628 1.00 0.00 C ATOM 1028 CG2 ILE A 62 -4.785 4.903 -2.429 1.00 0.00 C ATOM 1029 CD1 ILE A 62 -4.831 2.279 -4.146 1.00 0.00 C ATOM 0 H ILE A 62 -7.379 2.060 -1.759 1.00 0.00 H new ATOM 0 HA ILE A 62 -5.415 3.454 -0.140 1.00 0.00 H new ATOM 0 HB ILE A 62 -6.558 3.799 -2.965 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -3.940 2.458 -2.186 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -5.439 1.550 -2.205 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -4.418 4.961 -3.454 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -5.334 5.813 -2.188 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -3.941 4.797 -1.747 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -4.278 1.372 -4.390 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -5.831 2.221 -4.576 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -4.309 3.143 -4.556 1.00 0.00 H new ATOM 1041 N SER A 63 -8.043 5.205 -1.076 1.00 0.00 N ATOM 1042 CA SER A 63 -8.783 6.451 -0.730 1.00 0.00 C ATOM 1043 C SER A 63 -9.249 6.385 0.725 1.00 0.00 C ATOM 1044 O SER A 63 -9.208 7.362 1.447 1.00 0.00 O ATOM 1045 CB SER A 63 -9.979 6.481 -1.678 1.00 0.00 C ATOM 1046 OG SER A 63 -10.510 7.799 -1.724 1.00 0.00 O ATOM 0 H SER A 63 -8.468 4.637 -1.808 1.00 0.00 H new ATOM 0 HA SER A 63 -8.168 7.345 -0.832 1.00 0.00 H new ATOM 0 HB2 SER A 63 -9.675 6.164 -2.676 1.00 0.00 H new ATOM 0 HB3 SER A 63 -10.743 5.781 -1.340 1.00 0.00 H new ATOM 0 HG SER A 63 -11.277 7.822 -2.333 1.00 0.00 H new ATOM 1052 N LEU A 64 -9.686 5.235 1.163 1.00 0.00 N ATOM 1053 CA LEU A 64 -10.145 5.105 2.573 1.00 0.00 C ATOM 1054 C LEU A 64 -8.944 5.192 3.517 1.00 0.00 C ATOM 1055 O LEU A 64 -8.901 6.023 4.403 1.00 0.00 O ATOM 1056 CB LEU A 64 -10.802 3.728 2.658 1.00 0.00 C ATOM 1057 CG LEU A 64 -12.323 3.893 2.668 1.00 0.00 C ATOM 1058 CD1 LEU A 64 -12.847 3.887 1.231 1.00 0.00 C ATOM 1059 CD2 LEU A 64 -12.956 2.737 3.445 1.00 0.00 C ATOM 0 H LEU A 64 -9.744 4.383 0.606 1.00 0.00 H new ATOM 0 HA LEU A 64 -10.838 5.896 2.860 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -10.497 3.114 1.811 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -10.475 3.211 3.560 1.00 0.00 H new ATOM 0 HG LEU A 64 -12.582 4.838 3.145 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -13.931 4.005 1.238 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -12.397 4.710 0.676 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -12.588 2.942 0.753 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -14.040 2.854 3.453 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -12.696 1.792 2.967 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -12.584 2.740 4.469 1.00 0.00 H new ATOM 1071 N LEU A 65 -7.959 4.354 3.330 1.00 0.00 N ATOM 1072 CA LEU A 65 -6.765 4.418 4.219 1.00 0.00 C ATOM 1073 C LEU A 65 -6.167 5.824 4.158 1.00 0.00 C ATOM 1074 O LEU A 65 -6.388 6.643 5.028 1.00 0.00 O ATOM 1075 CB LEU A 65 -5.769 3.384 3.665 1.00 0.00 C ATOM 1076 CG LEU A 65 -6.023 2.001 4.286 1.00 0.00 C ATOM 1077 CD1 LEU A 65 -4.919 1.033 3.850 1.00 0.00 C ATOM 1078 CD2 LEU A 65 -6.019 2.099 5.812 1.00 0.00 C ATOM 0 H LEU A 65 -7.930 3.635 2.607 1.00 0.00 H new ATOM 0 HA LEU A 65 -7.012 4.204 5.259 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -5.864 3.325 2.581 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -4.749 3.703 3.879 1.00 0.00 H new ATOM 0 HG LEU A 65 -6.994 1.639 3.948 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -5.100 0.053 4.291 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -4.918 0.948 2.763 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.952 1.409 4.185 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -6.200 1.113 6.240 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -5.051 2.470 6.150 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -6.803 2.784 6.135 1.00 0.00 H new ATOM 1090 N LYS A 66 -5.421 6.115 3.128 1.00 0.00 N ATOM 1091 CA LYS A 66 -4.813 7.473 2.992 1.00 0.00 C ATOM 1092 C LYS A 66 -4.149 7.905 4.304 1.00 0.00 C ATOM 1093 O LYS A 66 -4.643 8.765 5.007 1.00 0.00 O ATOM 1094 CB LYS A 66 -5.984 8.396 2.659 1.00 0.00 C ATOM 1095 CG LYS A 66 -6.223 8.394 1.147 1.00 0.00 C ATOM 1096 CD LYS A 66 -6.360 9.835 0.651 1.00 0.00 C ATOM 1097 CE LYS A 66 -7.840 10.171 0.464 1.00 0.00 C ATOM 1098 NZ LYS A 66 -7.849 11.424 -0.341 1.00 0.00 N ATOM 0 H LYS A 66 -5.204 5.468 2.370 1.00 0.00 H new ATOM 0 HA LYS A 66 -4.037 7.497 2.227 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -6.882 8.064 3.180 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -5.772 9.408 3.003 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -5.396 7.900 0.638 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -7.125 7.829 0.911 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -5.908 10.522 1.366 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -5.826 9.959 -0.291 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -8.366 9.367 -0.051 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -8.337 10.314 1.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -8.831 11.720 -0.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -7.347 12.173 0.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -7.375 11.255 -1.251 1.00 0.00 H new ATOM 1112 N THR A 67 -3.037 7.315 4.638 1.00 0.00 N ATOM 1113 CA THR A 67 -2.347 7.692 5.900 1.00 0.00 C ATOM 1114 C THR A 67 -0.833 7.508 5.749 1.00 0.00 C ATOM 1115 O THR A 67 -0.231 6.733 6.464 1.00 0.00 O ATOM 1116 CB THR A 67 -2.896 6.731 6.949 1.00 0.00 C ATOM 1117 OG1 THR A 67 -4.295 6.568 6.757 1.00 0.00 O ATOM 1118 CG2 THR A 67 -2.629 7.289 8.348 1.00 0.00 C ATOM 0 H THR A 67 -2.576 6.588 4.091 1.00 0.00 H new ATOM 0 HA THR A 67 -2.517 8.734 6.169 1.00 0.00 H new ATOM 0 HB THR A 67 -2.402 5.764 6.848 1.00 0.00 H new ATOM 0 HG1 THR A 67 -4.648 5.949 7.430 1.00 0.00 H new ATOM 0 HG21 THR A 67 -3.022 6.600 9.096 1.00 0.00 H new ATOM 0 HG22 THR A 67 -1.555 7.408 8.493 1.00 0.00 H new ATOM 0 HG23 THR A 67 -3.119 8.257 8.453 1.00 0.00 H new ATOM 1126 N PRO A 68 -0.264 8.233 4.819 1.00 0.00 N ATOM 1127 CA PRO A 68 1.199 8.147 4.578 1.00 0.00 C ATOM 1128 C PRO A 68 1.977 8.752 5.754 1.00 0.00 C ATOM 1129 O PRO A 68 3.177 8.597 5.860 1.00 0.00 O ATOM 1130 CB PRO A 68 1.401 8.969 3.309 1.00 0.00 C ATOM 1131 CG PRO A 68 0.242 9.913 3.280 1.00 0.00 C ATOM 1132 CD PRO A 68 -0.912 9.194 3.918 1.00 0.00 C ATOM 0 HA PRO A 68 1.556 7.122 4.478 1.00 0.00 H new ATOM 0 HB2 PRO A 68 2.349 9.506 3.332 1.00 0.00 H new ATOM 0 HB3 PRO A 68 1.416 8.333 2.424 1.00 0.00 H new ATOM 0 HG2 PRO A 68 0.475 10.830 3.822 1.00 0.00 H new ATOM 0 HG3 PRO A 68 0.002 10.200 2.256 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -1.560 9.880 4.463 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -1.532 8.692 3.175 1.00 0.00 H new ATOM 1140 N LYS A 69 1.303 9.439 6.637 1.00 0.00 N ATOM 1141 CA LYS A 69 2.002 10.048 7.802 1.00 0.00 C ATOM 1142 C LYS A 69 1.017 10.249 8.957 1.00 0.00 C ATOM 1143 O LYS A 69 -0.184 10.229 8.771 1.00 0.00 O ATOM 1144 CB LYS A 69 2.519 11.396 7.295 1.00 0.00 C ATOM 1145 CG LYS A 69 1.336 12.271 6.871 1.00 0.00 C ATOM 1146 CD LYS A 69 1.773 13.214 5.750 1.00 0.00 C ATOM 1147 CE LYS A 69 2.701 14.288 6.318 1.00 0.00 C ATOM 1148 NZ LYS A 69 1.874 15.525 6.366 1.00 0.00 N ATOM 0 H LYS A 69 0.297 9.604 6.600 1.00 0.00 H new ATOM 0 HA LYS A 69 2.810 9.419 8.177 1.00 0.00 H new ATOM 0 HB2 LYS A 69 3.092 11.895 8.077 1.00 0.00 H new ATOM 0 HB3 LYS A 69 3.194 11.245 6.452 1.00 0.00 H new ATOM 0 HG2 LYS A 69 0.510 11.645 6.532 1.00 0.00 H new ATOM 0 HG3 LYS A 69 0.972 12.846 7.723 1.00 0.00 H new ATOM 0 HD2 LYS A 69 2.285 12.653 4.968 1.00 0.00 H new ATOM 0 HD3 LYS A 69 0.900 13.678 5.291 1.00 0.00 H new ATOM 0 HE2 LYS A 69 3.060 14.015 7.310 1.00 0.00 H new ATOM 0 HE3 LYS A 69 3.579 14.425 5.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 2.443 16.308 6.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 1.552 15.765 5.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 1.049 15.367 6.979 1.00 0.00 H new ATOM 1162 N GLN A 70 1.512 10.439 10.149 1.00 0.00 N ATOM 1163 CA GLN A 70 0.598 10.639 11.311 1.00 0.00 C ATOM 1164 C GLN A 70 1.310 11.425 12.416 1.00 0.00 C ATOM 1165 O GLN A 70 1.219 11.096 13.582 1.00 0.00 O ATOM 1166 CB GLN A 70 0.255 9.229 11.792 1.00 0.00 C ATOM 1167 CG GLN A 70 -0.952 9.286 12.730 1.00 0.00 C ATOM 1168 CD GLN A 70 -2.238 9.080 11.925 1.00 0.00 C ATOM 1169 OE1 GLN A 70 -2.433 9.702 10.899 1.00 0.00 O ATOM 1170 NE2 GLN A 70 -3.130 8.227 12.351 1.00 0.00 N ATOM 0 H GLN A 70 2.508 10.465 10.369 1.00 0.00 H new ATOM 0 HA GLN A 70 -0.293 11.206 11.042 1.00 0.00 H new ATOM 0 HB2 GLN A 70 0.036 8.586 10.939 1.00 0.00 H new ATOM 0 HB3 GLN A 70 1.110 8.792 12.309 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -0.865 8.518 13.498 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -0.982 10.247 13.243 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -2.966 7.705 13.212 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -3.991 8.082 11.823 1.00 0.00 H new ATOM 1179 N LEU A 71 2.020 12.461 12.058 1.00 0.00 N ATOM 1180 CA LEU A 71 2.737 13.266 13.089 1.00 0.00 C ATOM 1181 C LEU A 71 2.623 14.759 12.769 1.00 0.00 C ATOM 1182 O LEU A 71 2.272 15.079 11.646 1.00 0.00 O ATOM 1183 CB LEU A 71 4.195 12.810 13.006 1.00 0.00 C ATOM 1184 CG LEU A 71 4.698 12.975 11.571 1.00 0.00 C ATOM 1185 CD1 LEU A 71 6.068 13.656 11.582 1.00 0.00 C ATOM 1186 CD2 LEU A 71 4.819 11.597 10.915 1.00 0.00 C ATOM 1187 OXT LEU A 71 2.891 15.557 13.653 1.00 0.00 O ATOM 0 H LEU A 71 2.135 12.784 11.097 1.00 0.00 H new ATOM 0 HA LEU A 71 2.321 13.122 14.086 1.00 0.00 H new ATOM 0 HB2 LEU A 71 4.810 13.396 13.688 1.00 0.00 H new ATOM 0 HB3 LEU A 71 4.280 11.768 13.315 1.00 0.00 H new ATOM 0 HG LEU A 71 3.995 13.588 11.008 1.00 0.00 H new ATOM 0 HD11 LEU A 71 6.425 13.773 10.559 1.00 0.00 H new ATOM 0 HD12 LEU A 71 5.983 14.636 12.051 1.00 0.00 H new ATOM 0 HD13 LEU A 71 6.774 13.045 12.145 1.00 0.00 H new ATOM 0 HD21 LEU A 71 5.177 11.711 9.892 1.00 0.00 H new ATOM 0 HD22 LEU A 71 5.523 10.986 11.480 1.00 0.00 H new ATOM 0 HD23 LEU A 71 3.843 11.112 10.906 1.00 0.00 H new TER 1199 LEU A 71