USER MOD reduce.3.24.130724 H: found=0, std=0, add=343, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 344 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 37 SER OG : rot 2:sc= 0.0551 USER MOD Set 1.2: A 38 GLN : amide:sc= -1.57! C(o=-1.5!,f=-7.9!) USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.012 USER MOD Single : A 12 MET CE :methyl -164:sc= 0 (180deg=-0.47) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 161:sc= -0.0704 (180deg=-0.649) USER MOD Single : A 22 SER OG : rot 72:sc= 0.908 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.0225 USER MOD Single : A 25 THR OG1 : rot -21:sc= -0.549 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 31 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= -3.31! C(o=-3.3!,f=-3.5!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 46 LYS NZ :NH3+ 163:sc= -0.0258 (180deg=-0.458) USER MOD ----------------------------------------------------------------- ATOM 11 N ALA A 10 4.312 -13.225 -12.546 1.00 0.00 N ATOM 12 CA ALA A 10 3.294 -12.867 -11.556 1.00 0.00 C ATOM 13 C ALA A 10 2.111 -13.825 -11.638 1.00 0.00 C ATOM 14 O ALA A 10 2.133 -14.790 -12.402 1.00 0.00 O ATOM 15 CB ALA A 10 2.808 -11.437 -11.802 1.00 0.00 C ATOM 0 HA ALA A 10 3.738 -12.936 -10.563 1.00 0.00 H new ATOM 0 HB1 ALA A 10 2.051 -11.178 -11.062 1.00 0.00 H new ATOM 0 HB2 ALA A 10 3.648 -10.748 -11.719 1.00 0.00 H new ATOM 0 HB3 ALA A 10 2.378 -11.366 -12.801 1.00 0.00 H new ATOM 21 N THR A 11 1.077 -13.551 -10.844 1.00 0.00 N ATOM 22 CA THR A 11 -0.120 -14.390 -10.826 1.00 0.00 C ATOM 23 C THR A 11 -1.365 -13.524 -10.658 1.00 0.00 C ATOM 24 O THR A 11 -1.334 -12.501 -9.974 1.00 0.00 O ATOM 25 CB THR A 11 -0.028 -15.391 -9.673 1.00 0.00 C ATOM 26 OG1 THR A 11 1.229 -16.051 -9.722 1.00 0.00 O ATOM 27 CG2 THR A 11 -1.151 -16.421 -9.787 1.00 0.00 C ATOM 0 H THR A 11 1.044 -12.756 -10.206 1.00 0.00 H new ATOM 0 HA THR A 11 -0.190 -14.930 -11.770 1.00 0.00 H new ATOM 0 HB THR A 11 -0.127 -14.860 -8.726 1.00 0.00 H new ATOM 0 HG1 THR A 11 1.291 -16.692 -8.983 1.00 0.00 H new ATOM 0 HG21 THR A 11 -1.079 -17.130 -8.963 1.00 0.00 H new ATOM 0 HG22 THR A 11 -2.115 -15.914 -9.746 1.00 0.00 H new ATOM 0 HG23 THR A 11 -1.061 -16.954 -10.733 1.00 0.00 H new ATOM 35 N MET A 12 -2.459 -13.940 -11.288 1.00 0.00 N ATOM 36 CA MET A 12 -3.709 -13.193 -11.201 1.00 0.00 C ATOM 37 C MET A 12 -4.104 -12.977 -9.744 1.00 0.00 C ATOM 38 O MET A 12 -4.805 -12.019 -9.415 1.00 0.00 O ATOM 39 CB MET A 12 -4.823 -13.952 -11.926 1.00 0.00 C ATOM 40 CG MET A 12 -4.844 -15.405 -11.449 1.00 0.00 C ATOM 41 SD MET A 12 -6.197 -16.289 -12.264 1.00 0.00 S ATOM 42 CE MET A 12 -6.200 -17.742 -11.186 1.00 0.00 C ATOM 0 H MET A 12 -2.506 -14.783 -11.860 1.00 0.00 H new ATOM 0 HA MET A 12 -3.563 -12.222 -11.674 1.00 0.00 H new ATOM 0 HB2 MET A 12 -5.786 -13.480 -11.731 1.00 0.00 H new ATOM 0 HB3 MET A 12 -4.662 -13.914 -13.003 1.00 0.00 H new ATOM 0 HG2 MET A 12 -3.893 -15.887 -11.675 1.00 0.00 H new ATOM 0 HG3 MET A 12 -4.971 -15.442 -10.367 1.00 0.00 H new ATOM 0 HE1 MET A 12 -6.758 -18.548 -11.663 1.00 0.00 H new ATOM 0 HE2 MET A 12 -5.174 -18.066 -11.009 1.00 0.00 H new ATOM 0 HE3 MET A 12 -6.669 -17.489 -10.235 1.00 0.00 H new ATOM 52 N LYS A 13 -3.652 -13.874 -8.876 1.00 0.00 N ATOM 53 CA LYS A 13 -3.965 -13.776 -7.455 1.00 0.00 C ATOM 54 C LYS A 13 -3.214 -12.613 -6.817 1.00 0.00 C ATOM 55 O LYS A 13 -3.738 -11.936 -5.933 1.00 0.00 O ATOM 56 CB LYS A 13 -3.585 -15.078 -6.749 1.00 0.00 C ATOM 57 CG LYS A 13 -4.209 -15.097 -5.349 1.00 0.00 C ATOM 58 CD LYS A 13 -3.630 -16.264 -4.524 1.00 0.00 C ATOM 59 CE LYS A 13 -2.313 -15.843 -3.856 1.00 0.00 C ATOM 60 NZ LYS A 13 -1.846 -16.934 -2.955 1.00 0.00 N ATOM 0 H LYS A 13 -3.071 -14.673 -9.129 1.00 0.00 H new ATOM 0 HA LYS A 13 -5.036 -13.602 -7.350 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -3.934 -15.934 -7.327 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -2.501 -15.163 -6.677 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -4.013 -14.152 -4.843 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -5.291 -15.199 -5.427 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -4.348 -16.573 -3.765 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -3.459 -17.125 -5.170 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -1.558 -15.634 -4.614 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -2.458 -14.924 -3.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -0.954 -16.651 -2.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -2.565 -17.113 -2.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -1.693 -17.801 -3.509 1.00 0.00 H new ATOM 74 N ASP A 14 -1.980 -12.389 -7.260 1.00 0.00 N ATOM 75 CA ASP A 14 -1.169 -11.312 -6.713 1.00 0.00 C ATOM 76 C ASP A 14 -1.713 -9.953 -7.133 1.00 0.00 C ATOM 77 O ASP A 14 -1.645 -8.989 -6.371 1.00 0.00 O ATOM 78 CB ASP A 14 0.279 -11.454 -7.188 1.00 0.00 C ATOM 79 CG ASP A 14 0.904 -12.707 -6.587 1.00 0.00 C ATOM 80 OD1 ASP A 14 0.556 -13.040 -5.465 1.00 0.00 O ATOM 81 OD2 ASP A 14 1.723 -13.316 -7.256 1.00 0.00 O ATOM 0 H ASP A 14 -1.525 -12.936 -7.991 1.00 0.00 H new ATOM 0 HA ASP A 14 -1.205 -11.379 -5.626 1.00 0.00 H new ATOM 0 HB2 ASP A 14 0.310 -11.508 -8.276 1.00 0.00 H new ATOM 0 HB3 ASP A 14 0.854 -10.575 -6.896 1.00 0.00 H new ATOM 86 N VAL A 15 -2.255 -9.877 -8.343 1.00 0.00 N ATOM 87 CA VAL A 15 -2.804 -8.622 -8.831 1.00 0.00 C ATOM 88 C VAL A 15 -4.004 -8.215 -7.984 1.00 0.00 C ATOM 89 O VAL A 15 -4.202 -7.033 -7.702 1.00 0.00 O ATOM 90 CB VAL A 15 -3.219 -8.761 -10.302 1.00 0.00 C ATOM 91 CG1 VAL A 15 -3.951 -7.494 -10.758 1.00 0.00 C ATOM 92 CG2 VAL A 15 -1.972 -8.973 -11.168 1.00 0.00 C ATOM 0 H VAL A 15 -2.325 -10.659 -8.995 1.00 0.00 H new ATOM 0 HA VAL A 15 -2.039 -7.850 -8.755 1.00 0.00 H new ATOM 0 HB VAL A 15 -3.885 -9.617 -10.408 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -4.243 -7.599 -11.803 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -4.841 -7.347 -10.146 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -3.291 -6.634 -10.650 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -2.267 -9.072 -12.213 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -1.304 -8.119 -11.059 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -1.457 -9.879 -10.849 1.00 0.00 H new ATOM 102 N ALA A 16 -4.792 -9.199 -7.568 1.00 0.00 N ATOM 103 CA ALA A 16 -5.957 -8.923 -6.738 1.00 0.00 C ATOM 104 C ALA A 16 -5.534 -8.097 -5.530 1.00 0.00 C ATOM 105 O ALA A 16 -6.176 -7.107 -5.181 1.00 0.00 O ATOM 106 CB ALA A 16 -6.597 -10.230 -6.267 1.00 0.00 C ATOM 0 H ALA A 16 -4.648 -10.184 -7.789 1.00 0.00 H new ATOM 0 HA ALA A 16 -6.687 -8.367 -7.326 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -7.466 -10.007 -5.648 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -6.908 -10.815 -7.132 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -5.873 -10.800 -5.685 1.00 0.00 H new ATOM 112 N LEU A 17 -4.438 -8.515 -4.905 1.00 0.00 N ATOM 113 CA LEU A 17 -3.920 -7.811 -3.739 1.00 0.00 C ATOM 114 C LEU A 17 -3.813 -6.319 -4.037 1.00 0.00 C ATOM 115 O LEU A 17 -4.093 -5.481 -3.180 1.00 0.00 O ATOM 116 CB LEU A 17 -2.539 -8.359 -3.361 1.00 0.00 C ATOM 117 CG LEU A 17 -2.138 -7.855 -1.959 1.00 0.00 C ATOM 118 CD1 LEU A 17 -2.717 -8.776 -0.875 1.00 0.00 C ATOM 119 CD2 LEU A 17 -0.609 -7.848 -1.835 1.00 0.00 C ATOM 0 H LEU A 17 -3.895 -9.332 -5.184 1.00 0.00 H new ATOM 0 HA LEU A 17 -4.605 -7.964 -2.905 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.555 -9.449 -3.374 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -1.799 -8.042 -4.096 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.531 -6.847 -1.826 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -2.426 -8.408 0.109 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -3.804 -8.788 -0.951 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -2.332 -9.787 -1.013 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.326 -7.492 -0.844 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.228 -8.859 -1.980 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.186 -7.188 -2.592 1.00 0.00 H new ATOM 131 N LYS A 18 -3.409 -5.997 -5.262 1.00 0.00 N ATOM 132 CA LYS A 18 -3.269 -4.603 -5.670 1.00 0.00 C ATOM 133 C LYS A 18 -4.636 -3.926 -5.751 1.00 0.00 C ATOM 134 O LYS A 18 -4.787 -2.765 -5.375 1.00 0.00 O ATOM 135 CB LYS A 18 -2.578 -4.524 -7.037 1.00 0.00 C ATOM 136 CG LYS A 18 -2.126 -3.075 -7.322 1.00 0.00 C ATOM 137 CD LYS A 18 -0.723 -2.836 -6.750 1.00 0.00 C ATOM 138 CE LYS A 18 -0.350 -1.361 -6.911 1.00 0.00 C ATOM 139 NZ LYS A 18 0.914 -1.085 -6.170 1.00 0.00 N ATOM 0 H LYS A 18 -3.174 -6.677 -5.985 1.00 0.00 H new ATOM 0 HA LYS A 18 -2.663 -4.087 -4.925 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -1.717 -5.192 -7.057 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -3.260 -4.860 -7.818 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -2.125 -2.891 -8.396 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -2.832 -2.372 -6.879 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -0.696 -3.116 -5.697 1.00 0.00 H new ATOM 0 HD3 LYS A 18 0.003 -3.464 -7.266 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -0.226 -1.119 -7.967 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -1.152 -0.728 -6.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 1.168 -0.082 -6.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 0.779 -1.301 -5.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 1.677 -1.679 -6.552 1.00 0.00 H new ATOM 153 N ALA A 19 -5.634 -4.665 -6.240 1.00 0.00 N ATOM 154 CA ALA A 19 -6.991 -4.130 -6.360 1.00 0.00 C ATOM 155 C ALA A 19 -7.789 -4.429 -5.093 1.00 0.00 C ATOM 156 O ALA A 19 -8.972 -4.102 -4.998 1.00 0.00 O ATOM 157 CB ALA A 19 -7.691 -4.746 -7.577 1.00 0.00 C ATOM 0 H ALA A 19 -5.529 -5.629 -6.557 1.00 0.00 H new ATOM 0 HA ALA A 19 -6.933 -3.050 -6.492 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -8.700 -4.343 -7.659 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -7.130 -4.506 -8.480 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -7.741 -5.828 -7.458 1.00 0.00 H new ATOM 163 N LYS A 20 -7.128 -5.052 -4.121 1.00 0.00 N ATOM 164 CA LYS A 20 -7.776 -5.393 -2.858 1.00 0.00 C ATOM 165 C LYS A 20 -9.147 -6.002 -3.108 1.00 0.00 C ATOM 166 O LYS A 20 -10.153 -5.546 -2.565 1.00 0.00 O ATOM 167 CB LYS A 20 -7.921 -4.143 -1.992 1.00 0.00 C ATOM 168 CG LYS A 20 -6.552 -3.470 -1.833 1.00 0.00 C ATOM 169 CD LYS A 20 -6.612 -2.469 -0.680 1.00 0.00 C ATOM 170 CE LYS A 20 -5.262 -1.765 -0.541 1.00 0.00 C ATOM 171 NZ LYS A 20 -4.964 -1.010 -1.791 1.00 0.00 N ATOM 0 H LYS A 20 -6.149 -5.330 -4.183 1.00 0.00 H new ATOM 0 HA LYS A 20 -7.156 -6.124 -2.339 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -8.628 -3.451 -2.449 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -8.323 -4.409 -1.014 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -5.786 -4.220 -1.639 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -6.274 -2.962 -2.757 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -7.398 -1.736 -0.862 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -6.863 -2.983 0.248 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -5.280 -1.086 0.311 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -4.477 -2.496 -0.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -4.238 -0.291 -1.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -4.615 -1.667 -2.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -5.830 -0.545 -2.131 1.00 0.00 H new ATOM 185 N VAL A 21 -9.175 -7.034 -3.937 1.00 0.00 N ATOM 186 CA VAL A 21 -10.424 -7.715 -4.271 1.00 0.00 C ATOM 187 C VAL A 21 -10.749 -8.787 -3.238 1.00 0.00 C ATOM 188 O VAL A 21 -11.521 -8.557 -2.308 1.00 0.00 O ATOM 189 CB VAL A 21 -10.308 -8.353 -5.656 1.00 0.00 C ATOM 190 CG1 VAL A 21 -11.573 -9.159 -5.959 1.00 0.00 C ATOM 191 CG2 VAL A 21 -10.136 -7.255 -6.707 1.00 0.00 C ATOM 0 H VAL A 21 -8.349 -7.421 -4.393 1.00 0.00 H new ATOM 0 HA VAL A 21 -11.229 -6.980 -4.272 1.00 0.00 H new ATOM 0 HB VAL A 21 -9.445 -9.018 -5.678 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -11.488 -9.612 -6.947 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -11.694 -9.941 -5.210 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -12.440 -8.498 -5.937 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -10.053 -7.707 -7.695 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -11.000 -6.590 -6.683 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -9.233 -6.684 -6.492 1.00 0.00 H new ATOM 201 N SER A 22 -10.150 -9.957 -3.413 1.00 0.00 N ATOM 202 CA SER A 22 -10.372 -11.072 -2.498 1.00 0.00 C ATOM 203 C SER A 22 -9.660 -12.324 -3.012 1.00 0.00 C ATOM 204 O SER A 22 -9.737 -12.653 -4.196 1.00 0.00 O ATOM 205 CB SER A 22 -11.877 -11.338 -2.352 1.00 0.00 C ATOM 206 OG SER A 22 -12.398 -10.511 -1.320 1.00 0.00 O ATOM 0 H SER A 22 -9.507 -10.160 -4.178 1.00 0.00 H new ATOM 0 HA SER A 22 -9.964 -10.815 -1.521 1.00 0.00 H new ATOM 0 HB2 SER A 22 -12.388 -11.132 -3.293 1.00 0.00 H new ATOM 0 HB3 SER A 22 -12.052 -12.388 -2.117 1.00 0.00 H new ATOM 0 HG SER A 22 -12.417 -9.580 -1.625 1.00 0.00 H new ATOM 212 N THR A 23 -8.961 -13.007 -2.114 1.00 0.00 N ATOM 213 CA THR A 23 -8.227 -14.214 -2.481 1.00 0.00 C ATOM 214 C THR A 23 -9.182 -15.355 -2.827 1.00 0.00 C ATOM 215 O THR A 23 -8.846 -16.235 -3.619 1.00 0.00 O ATOM 216 CB THR A 23 -7.313 -14.641 -1.323 1.00 0.00 C ATOM 217 OG1 THR A 23 -8.032 -14.551 -0.101 1.00 0.00 O ATOM 218 CG2 THR A 23 -6.087 -13.726 -1.262 1.00 0.00 C ATOM 0 H THR A 23 -8.886 -12.748 -1.130 1.00 0.00 H new ATOM 0 HA THR A 23 -7.625 -13.990 -3.361 1.00 0.00 H new ATOM 0 HB THR A 23 -6.984 -15.668 -1.483 1.00 0.00 H new ATOM 0 HG1 THR A 23 -7.452 -14.824 0.640 1.00 0.00 H new ATOM 0 HG21 THR A 23 -5.443 -14.035 -0.438 1.00 0.00 H new ATOM 0 HG22 THR A 23 -5.535 -13.794 -2.199 1.00 0.00 H new ATOM 0 HG23 THR A 23 -6.409 -12.697 -1.105 1.00 0.00 H new ATOM 226 N ALA A 24 -10.371 -15.337 -2.232 1.00 0.00 N ATOM 227 CA ALA A 24 -11.358 -16.382 -2.493 1.00 0.00 C ATOM 228 C ALA A 24 -12.059 -16.150 -3.830 1.00 0.00 C ATOM 229 O ALA A 24 -12.350 -17.096 -4.563 1.00 0.00 O ATOM 230 CB ALA A 24 -12.398 -16.405 -1.370 1.00 0.00 C ATOM 0 H ALA A 24 -10.673 -14.619 -1.573 1.00 0.00 H new ATOM 0 HA ALA A 24 -10.838 -17.339 -2.534 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -13.132 -17.186 -1.570 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -11.903 -16.606 -0.420 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -12.901 -15.439 -1.320 1.00 0.00 H new ATOM 236 N THR A 25 -12.346 -14.887 -4.126 1.00 0.00 N ATOM 237 CA THR A 25 -13.038 -14.544 -5.366 1.00 0.00 C ATOM 238 C THR A 25 -12.264 -15.044 -6.583 1.00 0.00 C ATOM 239 O THR A 25 -12.749 -15.900 -7.324 1.00 0.00 O ATOM 240 CB THR A 25 -13.211 -13.028 -5.463 1.00 0.00 C ATOM 241 OG1 THR A 25 -11.966 -12.395 -5.198 1.00 0.00 O ATOM 242 CG2 THR A 25 -14.250 -12.563 -4.442 1.00 0.00 C ATOM 0 H THR A 25 -12.114 -14.091 -3.533 1.00 0.00 H new ATOM 0 HA THR A 25 -14.015 -15.027 -5.353 1.00 0.00 H new ATOM 0 HB THR A 25 -13.549 -12.764 -6.465 1.00 0.00 H new ATOM 0 HG1 THR A 25 -11.389 -13.006 -4.694 1.00 0.00 H new ATOM 0 HG21 THR A 25 -14.372 -11.482 -4.513 1.00 0.00 H new ATOM 0 HG22 THR A 25 -15.204 -13.050 -4.646 1.00 0.00 H new ATOM 0 HG23 THR A 25 -13.916 -12.825 -3.438 1.00 0.00 H new ATOM 250 N VAL A 26 -11.069 -14.501 -6.798 1.00 0.00 N ATOM 251 CA VAL A 26 -10.257 -14.901 -7.945 1.00 0.00 C ATOM 252 C VAL A 26 -9.948 -16.398 -7.897 1.00 0.00 C ATOM 253 O VAL A 26 -9.731 -17.026 -8.934 1.00 0.00 O ATOM 254 CB VAL A 26 -8.952 -14.079 -7.965 1.00 0.00 C ATOM 255 CG1 VAL A 26 -7.921 -14.718 -8.908 1.00 0.00 C ATOM 256 CG2 VAL A 26 -9.250 -12.655 -8.445 1.00 0.00 C ATOM 0 H VAL A 26 -10.644 -13.791 -6.201 1.00 0.00 H new ATOM 0 HA VAL A 26 -10.817 -14.705 -8.859 1.00 0.00 H new ATOM 0 HB VAL A 26 -8.544 -14.058 -6.955 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -7.008 -14.122 -8.907 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -7.695 -15.729 -8.569 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -8.327 -14.757 -9.919 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -8.327 -12.075 -8.459 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -9.671 -12.690 -9.450 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -9.964 -12.185 -7.769 1.00 0.00 H new ATOM 266 N SER A 27 -9.925 -16.966 -6.696 1.00 0.00 N ATOM 267 CA SER A 27 -9.635 -18.388 -6.546 1.00 0.00 C ATOM 268 C SER A 27 -10.851 -19.228 -6.928 1.00 0.00 C ATOM 269 O SER A 27 -10.718 -20.272 -7.570 1.00 0.00 O ATOM 270 CB SER A 27 -9.236 -18.693 -5.103 1.00 0.00 C ATOM 271 OG SER A 27 -9.024 -20.092 -4.961 1.00 0.00 O ATOM 0 H SER A 27 -10.101 -16.471 -5.822 1.00 0.00 H new ATOM 0 HA SER A 27 -8.809 -18.641 -7.211 1.00 0.00 H new ATOM 0 HB2 SER A 27 -8.329 -18.147 -4.841 1.00 0.00 H new ATOM 0 HB3 SER A 27 -10.017 -18.360 -4.419 1.00 0.00 H new ATOM 0 HG SER A 27 -8.766 -20.292 -4.037 1.00 0.00 H new ATOM 277 N ARG A 28 -12.035 -18.765 -6.538 1.00 0.00 N ATOM 278 CA ARG A 28 -13.270 -19.476 -6.856 1.00 0.00 C ATOM 279 C ARG A 28 -13.733 -19.130 -8.267 1.00 0.00 C ATOM 280 O ARG A 28 -14.425 -19.913 -8.915 1.00 0.00 O ATOM 281 CB ARG A 28 -14.361 -19.097 -5.852 1.00 0.00 C ATOM 282 CG ARG A 28 -13.995 -19.645 -4.471 1.00 0.00 C ATOM 283 CD ARG A 28 -14.968 -19.092 -3.427 1.00 0.00 C ATOM 284 NE ARG A 28 -14.858 -19.847 -2.185 1.00 0.00 N ATOM 285 CZ ARG A 28 -15.426 -21.042 -2.054 1.00 0.00 C ATOM 286 NH1 ARG A 28 -16.094 -21.560 -3.048 1.00 0.00 N ATOM 287 NH2 ARG A 28 -15.317 -21.697 -0.929 1.00 0.00 N ATOM 0 H ARG A 28 -12.166 -17.906 -6.004 1.00 0.00 H new ATOM 0 HA ARG A 28 -13.080 -20.548 -6.799 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -14.469 -18.013 -5.808 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -15.321 -19.501 -6.173 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -14.034 -20.734 -4.479 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -12.973 -19.364 -4.216 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -14.754 -18.040 -3.241 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -15.989 -19.147 -3.805 1.00 0.00 H new ATOM 0 HE ARG A 28 -14.336 -19.452 -1.403 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -16.181 -21.048 -3.926 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -16.530 -22.477 -2.947 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -14.796 -21.292 -0.151 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -15.753 -22.614 -0.828 1.00 0.00 H new ATOM 301 N ALA A 29 -13.352 -17.943 -8.724 1.00 0.00 N ATOM 302 CA ALA A 29 -13.738 -17.481 -10.053 1.00 0.00 C ATOM 303 C ALA A 29 -13.471 -18.557 -11.100 1.00 0.00 C ATOM 304 O ALA A 29 -14.330 -18.851 -11.931 1.00 0.00 O ATOM 305 CB ALA A 29 -12.959 -16.215 -10.417 1.00 0.00 C ATOM 0 H ALA A 29 -12.778 -17.285 -8.197 1.00 0.00 H new ATOM 0 HA ALA A 29 -14.806 -17.262 -10.038 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -13.255 -15.879 -11.411 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -13.176 -15.433 -9.690 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -11.891 -16.431 -10.410 1.00 0.00 H new ATOM 311 N LEU A 30 -12.280 -19.136 -11.059 1.00 0.00 N ATOM 312 CA LEU A 30 -11.921 -20.173 -12.019 1.00 0.00 C ATOM 313 C LEU A 30 -12.929 -21.322 -11.959 1.00 0.00 C ATOM 314 O LEU A 30 -12.860 -22.258 -12.756 1.00 0.00 O ATOM 315 CB LEU A 30 -10.496 -20.701 -11.733 1.00 0.00 C ATOM 316 CG LEU A 30 -9.424 -19.840 -12.438 1.00 0.00 C ATOM 317 CD1 LEU A 30 -9.515 -19.984 -13.973 1.00 0.00 C ATOM 318 CD2 LEU A 30 -9.589 -18.365 -12.041 1.00 0.00 C ATOM 0 H LEU A 30 -11.553 -18.910 -10.381 1.00 0.00 H new ATOM 0 HA LEU A 30 -11.940 -19.741 -13.019 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -10.315 -20.701 -10.658 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -10.415 -21.734 -12.070 1.00 0.00 H new ATOM 0 HG LEU A 30 -8.443 -20.193 -12.120 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -8.749 -19.367 -14.442 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -9.361 -21.027 -14.250 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -10.499 -19.660 -14.311 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -8.829 -17.766 -12.543 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -10.579 -18.017 -12.337 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -9.476 -18.264 -10.962 1.00 0.00 H new ATOM 330 N MET A 31 -13.861 -21.246 -11.008 1.00 0.00 N ATOM 331 CA MET A 31 -14.883 -22.287 -10.845 1.00 0.00 C ATOM 332 C MET A 31 -16.286 -21.696 -10.965 1.00 0.00 C ATOM 333 O MET A 31 -17.170 -22.295 -11.579 1.00 0.00 O ATOM 334 CB MET A 31 -14.729 -22.952 -9.475 1.00 0.00 C ATOM 335 CG MET A 31 -13.324 -23.540 -9.348 1.00 0.00 C ATOM 336 SD MET A 31 -13.007 -23.981 -7.621 1.00 0.00 S ATOM 337 CE MET A 31 -11.462 -24.882 -7.898 1.00 0.00 C ATOM 0 H MET A 31 -13.931 -20.478 -10.340 1.00 0.00 H new ATOM 0 HA MET A 31 -14.747 -23.027 -11.634 1.00 0.00 H new ATOM 0 HB2 MET A 31 -14.902 -22.223 -8.684 1.00 0.00 H new ATOM 0 HB3 MET A 31 -15.475 -23.737 -9.354 1.00 0.00 H new ATOM 0 HG2 MET A 31 -13.228 -24.421 -9.983 1.00 0.00 H new ATOM 0 HG3 MET A 31 -12.584 -22.818 -9.692 1.00 0.00 H new ATOM 0 HE1 MET A 31 -11.080 -25.251 -6.946 1.00 0.00 H new ATOM 0 HE2 MET A 31 -11.646 -25.723 -8.566 1.00 0.00 H new ATOM 0 HE3 MET A 31 -10.728 -24.215 -8.349 1.00 0.00 H new ATOM 347 N ASN A 32 -16.489 -20.526 -10.367 1.00 0.00 N ATOM 348 CA ASN A 32 -17.792 -19.870 -10.403 1.00 0.00 C ATOM 349 C ASN A 32 -17.645 -18.363 -10.165 1.00 0.00 C ATOM 350 O ASN A 32 -17.724 -17.906 -9.025 1.00 0.00 O ATOM 351 CB ASN A 32 -18.691 -20.464 -9.316 1.00 0.00 C ATOM 352 CG ASN A 32 -20.079 -19.835 -9.384 1.00 0.00 C ATOM 353 OD1 ASN A 32 -20.649 -19.475 -8.354 1.00 0.00 O ATOM 354 ND2 ASN A 32 -20.657 -19.682 -10.544 1.00 0.00 N ATOM 0 H ASN A 32 -15.771 -20.014 -9.854 1.00 0.00 H new ATOM 0 HA ASN A 32 -18.235 -20.031 -11.386 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -18.766 -21.544 -9.445 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -18.252 -20.289 -8.334 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -21.585 -19.263 -10.600 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -20.181 -19.982 -11.395 1.00 0.00 H new ATOM 361 N PRO A 33 -17.431 -17.585 -11.201 1.00 0.00 N ATOM 362 CA PRO A 33 -17.268 -16.109 -11.068 1.00 0.00 C ATOM 363 C PRO A 33 -18.614 -15.385 -11.009 1.00 0.00 C ATOM 364 O PRO A 33 -18.985 -14.667 -11.937 1.00 0.00 O ATOM 365 CB PRO A 33 -16.485 -15.736 -12.330 1.00 0.00 C ATOM 366 CG PRO A 33 -16.930 -16.726 -13.364 1.00 0.00 C ATOM 367 CD PRO A 33 -17.316 -18.013 -12.611 1.00 0.00 C ATOM 0 HA PRO A 33 -16.764 -15.821 -10.145 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -16.701 -14.714 -12.642 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -15.410 -15.797 -12.161 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -17.778 -16.340 -13.929 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -16.132 -16.922 -14.080 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -18.255 -18.425 -12.981 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -16.559 -18.788 -12.732 1.00 0.00 H new ATOM 375 N ASP A 34 -19.338 -15.583 -9.906 1.00 0.00 N ATOM 376 CA ASP A 34 -20.650 -14.950 -9.718 1.00 0.00 C ATOM 377 C ASP A 34 -20.649 -14.039 -8.491 1.00 0.00 C ATOM 378 O ASP A 34 -21.466 -13.124 -8.390 1.00 0.00 O ATOM 379 CB ASP A 34 -21.723 -16.028 -9.545 1.00 0.00 C ATOM 380 CG ASP A 34 -21.364 -16.936 -8.373 1.00 0.00 C ATOM 381 OD1 ASP A 34 -20.213 -16.924 -7.970 1.00 0.00 O ATOM 382 OD2 ASP A 34 -22.249 -17.628 -7.895 1.00 0.00 O ATOM 0 H ASP A 34 -19.041 -16.175 -9.130 1.00 0.00 H new ATOM 0 HA ASP A 34 -20.866 -14.347 -10.600 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -22.693 -15.563 -9.372 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -21.810 -16.616 -10.458 1.00 0.00 H new ATOM 387 N LYS A 35 -19.731 -14.291 -7.560 1.00 0.00 N ATOM 388 CA LYS A 35 -19.646 -13.485 -6.348 1.00 0.00 C ATOM 389 C LYS A 35 -18.962 -12.150 -6.632 1.00 0.00 C ATOM 390 O LYS A 35 -19.172 -11.171 -5.917 1.00 0.00 O ATOM 391 CB LYS A 35 -18.863 -14.245 -5.269 1.00 0.00 C ATOM 392 CG LYS A 35 -19.715 -15.404 -4.711 1.00 0.00 C ATOM 393 CD LYS A 35 -20.611 -14.910 -3.556 1.00 0.00 C ATOM 394 CE LYS A 35 -19.834 -14.942 -2.232 1.00 0.00 C ATOM 395 NZ LYS A 35 -20.746 -14.564 -1.116 1.00 0.00 N ATOM 0 H LYS A 35 -19.042 -15.041 -7.622 1.00 0.00 H new ATOM 0 HA LYS A 35 -20.658 -13.290 -5.995 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -17.936 -14.635 -5.689 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -18.587 -13.565 -4.463 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -20.333 -15.823 -5.505 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -19.064 -16.204 -4.358 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -20.954 -13.896 -3.760 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -21.499 -15.538 -3.480 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -19.425 -15.938 -2.061 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -18.990 -14.254 -2.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -20.222 -14.585 -0.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -21.116 -13.606 -1.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -21.537 -15.237 -1.071 1.00 0.00 H new ATOM 409 N VAL A 36 -18.144 -12.118 -7.678 1.00 0.00 N ATOM 410 CA VAL A 36 -17.437 -10.897 -8.043 1.00 0.00 C ATOM 411 C VAL A 36 -18.427 -9.827 -8.494 1.00 0.00 C ATOM 412 O VAL A 36 -19.354 -10.108 -9.257 1.00 0.00 O ATOM 413 CB VAL A 36 -16.437 -11.189 -9.168 1.00 0.00 C ATOM 414 CG1 VAL A 36 -15.404 -10.061 -9.250 1.00 0.00 C ATOM 415 CG2 VAL A 36 -15.720 -12.511 -8.881 1.00 0.00 C ATOM 0 H VAL A 36 -17.955 -12.917 -8.284 1.00 0.00 H new ATOM 0 HA VAL A 36 -16.897 -10.530 -7.170 1.00 0.00 H new ATOM 0 HB VAL A 36 -16.972 -11.258 -10.115 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -14.696 -10.274 -10.051 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -15.911 -9.118 -9.454 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -14.869 -9.988 -8.303 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -15.009 -12.720 -9.680 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -15.189 -12.438 -7.932 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -16.451 -13.317 -8.826 1.00 0.00 H new ATOM 425 N SER A 37 -18.223 -8.604 -8.022 1.00 0.00 N ATOM 426 CA SER A 37 -19.103 -7.498 -8.383 1.00 0.00 C ATOM 427 C SER A 37 -18.945 -7.158 -9.860 1.00 0.00 C ATOM 428 O SER A 37 -17.889 -7.381 -10.444 1.00 0.00 O ATOM 429 CB SER A 37 -18.780 -6.268 -7.535 1.00 0.00 C ATOM 430 OG SER A 37 -19.811 -5.302 -7.700 1.00 0.00 O ATOM 0 H SER A 37 -17.461 -8.353 -7.392 1.00 0.00 H new ATOM 0 HA SER A 37 -20.133 -7.801 -8.196 1.00 0.00 H new ATOM 0 HB2 SER A 37 -18.692 -6.548 -6.485 1.00 0.00 H new ATOM 0 HB3 SER A 37 -17.820 -5.847 -7.834 1.00 0.00 H new ATOM 0 HG SER A 37 -20.503 -5.660 -8.294 1.00 0.00 H new ATOM 436 N GLN A 38 -20.003 -6.630 -10.456 1.00 0.00 N ATOM 437 CA GLN A 38 -19.975 -6.275 -11.872 1.00 0.00 C ATOM 438 C GLN A 38 -18.717 -5.485 -12.207 1.00 0.00 C ATOM 439 O GLN A 38 -17.957 -5.868 -13.098 1.00 0.00 O ATOM 440 CB GLN A 38 -21.212 -5.447 -12.237 1.00 0.00 C ATOM 441 CG GLN A 38 -22.488 -6.230 -11.899 1.00 0.00 C ATOM 442 CD GLN A 38 -22.794 -6.125 -10.407 1.00 0.00 C ATOM 443 OE1 GLN A 38 -22.098 -5.418 -9.679 1.00 0.00 O ATOM 444 NE2 GLN A 38 -23.801 -6.789 -9.908 1.00 0.00 N ATOM 0 H GLN A 38 -20.888 -6.438 -9.987 1.00 0.00 H new ATOM 0 HA GLN A 38 -19.975 -7.198 -12.451 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -21.201 -4.502 -11.693 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -21.196 -5.203 -13.299 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -23.326 -5.841 -12.477 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -22.366 -7.276 -12.179 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -24.376 -7.374 -10.514 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -24.013 -6.723 -8.912 1.00 0.00 H new ATOM 453 N ALA A 39 -18.496 -4.387 -11.500 1.00 0.00 N ATOM 454 CA ALA A 39 -17.316 -3.578 -11.759 1.00 0.00 C ATOM 455 C ALA A 39 -16.063 -4.413 -11.520 1.00 0.00 C ATOM 456 O ALA A 39 -15.182 -4.494 -12.375 1.00 0.00 O ATOM 457 CB ALA A 39 -17.300 -2.348 -10.843 1.00 0.00 C ATOM 0 H ALA A 39 -19.104 -4.041 -10.758 1.00 0.00 H new ATOM 0 HA ALA A 39 -17.339 -3.242 -12.796 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -16.411 -1.753 -11.049 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -18.190 -1.746 -11.026 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -17.288 -2.670 -9.802 1.00 0.00 H new ATOM 463 N THR A 40 -15.991 -5.022 -10.342 1.00 0.00 N ATOM 464 CA THR A 40 -14.847 -5.846 -9.979 1.00 0.00 C ATOM 465 C THR A 40 -14.688 -7.015 -10.947 1.00 0.00 C ATOM 466 O THR A 40 -13.593 -7.552 -11.108 1.00 0.00 O ATOM 467 CB THR A 40 -15.033 -6.375 -8.555 1.00 0.00 C ATOM 468 OG1 THR A 40 -15.215 -5.280 -7.669 1.00 0.00 O ATOM 469 CG2 THR A 40 -13.803 -7.177 -8.127 1.00 0.00 C ATOM 0 H THR A 40 -16.712 -4.960 -9.623 1.00 0.00 H new ATOM 0 HA THR A 40 -13.946 -5.234 -10.031 1.00 0.00 H new ATOM 0 HB THR A 40 -15.908 -7.025 -8.526 1.00 0.00 H new ATOM 0 HG1 THR A 40 -15.336 -5.615 -6.756 1.00 0.00 H new ATOM 0 HG21 THR A 40 -13.946 -7.549 -7.112 1.00 0.00 H new ATOM 0 HG22 THR A 40 -13.663 -8.019 -8.805 1.00 0.00 H new ATOM 0 HG23 THR A 40 -12.922 -6.536 -8.158 1.00 0.00 H new ATOM 477 N ARG A 41 -15.787 -7.407 -11.586 1.00 0.00 N ATOM 478 CA ARG A 41 -15.756 -8.519 -12.533 1.00 0.00 C ATOM 479 C ARG A 41 -15.021 -8.121 -13.808 1.00 0.00 C ATOM 480 O ARG A 41 -14.337 -8.939 -14.424 1.00 0.00 O ATOM 481 CB ARG A 41 -17.181 -8.961 -12.877 1.00 0.00 C ATOM 482 CG ARG A 41 -17.129 -10.224 -13.742 1.00 0.00 C ATOM 483 CD ARG A 41 -18.520 -10.856 -13.806 1.00 0.00 C ATOM 484 NE ARG A 41 -19.536 -9.824 -13.979 1.00 0.00 N ATOM 485 CZ ARG A 41 -20.826 -10.135 -14.052 1.00 0.00 C ATOM 486 NH1 ARG A 41 -21.202 -11.381 -13.968 1.00 0.00 N ATOM 487 NH2 ARG A 41 -21.716 -9.194 -14.208 1.00 0.00 N ATOM 0 H ARG A 41 -16.704 -6.975 -11.467 1.00 0.00 H new ATOM 0 HA ARG A 41 -15.225 -9.348 -12.066 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -17.743 -9.156 -11.964 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -17.702 -8.165 -13.408 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -16.784 -9.976 -14.746 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -16.414 -10.934 -13.325 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -18.567 -11.565 -14.633 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -18.714 -11.418 -12.892 1.00 0.00 H new ATOM 0 HE ARG A 41 -19.252 -8.847 -14.045 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -20.506 -12.117 -13.846 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -22.192 -11.620 -14.024 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -21.422 -8.220 -14.274 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -22.706 -9.433 -14.264 1.00 0.00 H new ATOM 501 N ASN A 42 -15.178 -6.867 -14.210 1.00 0.00 N ATOM 502 CA ASN A 42 -14.524 -6.384 -15.420 1.00 0.00 C ATOM 503 C ASN A 42 -13.030 -6.168 -15.185 1.00 0.00 C ATOM 504 O ASN A 42 -12.207 -6.489 -16.043 1.00 0.00 O ATOM 505 CB ASN A 42 -15.168 -5.074 -15.880 1.00 0.00 C ATOM 506 CG ASN A 42 -14.626 -4.681 -17.250 1.00 0.00 C ATOM 507 OD1 ASN A 42 -14.665 -5.478 -18.186 1.00 0.00 O ATOM 508 ND2 ASN A 42 -14.119 -3.490 -17.422 1.00 0.00 N ATOM 0 H ASN A 42 -15.745 -6.173 -13.723 1.00 0.00 H new ATOM 0 HA ASN A 42 -14.647 -7.140 -16.196 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -16.251 -5.188 -15.927 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -14.962 -4.284 -15.158 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -13.754 -3.218 -18.335 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -14.088 -2.832 -16.644 1.00 0.00 H new ATOM 515 N ARG A 43 -12.685 -5.614 -14.027 1.00 0.00 N ATOM 516 CA ARG A 43 -11.290 -5.350 -13.697 1.00 0.00 C ATOM 517 C ARG A 43 -10.487 -6.642 -13.633 1.00 0.00 C ATOM 518 O ARG A 43 -9.400 -6.732 -14.203 1.00 0.00 O ATOM 519 CB ARG A 43 -11.201 -4.628 -12.350 1.00 0.00 C ATOM 520 CG ARG A 43 -9.793 -4.058 -12.167 1.00 0.00 C ATOM 521 CD ARG A 43 -9.589 -3.658 -10.705 1.00 0.00 C ATOM 522 NE ARG A 43 -8.266 -3.071 -10.524 1.00 0.00 N ATOM 523 CZ ARG A 43 -8.024 -1.807 -10.854 1.00 0.00 C ATOM 524 NH1 ARG A 43 -8.979 -1.067 -11.347 1.00 0.00 N ATOM 525 NH2 ARG A 43 -6.832 -1.303 -10.684 1.00 0.00 N ATOM 0 H ARG A 43 -13.350 -5.340 -13.304 1.00 0.00 H new ATOM 0 HA ARG A 43 -10.871 -4.720 -14.482 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -11.938 -3.826 -12.306 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -11.433 -5.319 -11.539 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -9.049 -4.799 -12.459 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -9.653 -3.193 -12.815 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -10.356 -2.944 -10.405 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -9.698 -4.532 -10.063 1.00 0.00 H new ATOM 0 HE ARG A 43 -7.514 -3.641 -10.137 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -9.911 -1.459 -11.479 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -8.793 -0.097 -11.600 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -6.085 -1.880 -10.297 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -6.648 -0.332 -10.938 1.00 0.00 H new ATOM 539 N VAL A 44 -11.017 -7.641 -12.934 1.00 0.00 N ATOM 540 CA VAL A 44 -10.308 -8.907 -12.817 1.00 0.00 C ATOM 541 C VAL A 44 -10.153 -9.553 -14.192 1.00 0.00 C ATOM 542 O VAL A 44 -9.078 -10.044 -14.536 1.00 0.00 O ATOM 543 CB VAL A 44 -11.035 -9.865 -11.860 1.00 0.00 C ATOM 544 CG1 VAL A 44 -11.119 -9.235 -10.463 1.00 0.00 C ATOM 545 CG2 VAL A 44 -12.447 -10.145 -12.375 1.00 0.00 C ATOM 0 H VAL A 44 -11.914 -7.600 -12.451 1.00 0.00 H new ATOM 0 HA VAL A 44 -9.320 -8.704 -12.405 1.00 0.00 H new ATOM 0 HB VAL A 44 -10.479 -10.801 -11.806 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -11.635 -9.917 -9.787 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -10.113 -9.045 -10.089 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -11.669 -8.295 -10.520 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -12.956 -10.825 -11.691 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -13.003 -9.210 -12.438 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -12.390 -10.600 -13.364 1.00 0.00 H new ATOM 555 N GLU A 45 -11.228 -9.558 -14.971 1.00 0.00 N ATOM 556 CA GLU A 45 -11.184 -10.157 -16.302 1.00 0.00 C ATOM 557 C GLU A 45 -9.990 -9.622 -17.088 1.00 0.00 C ATOM 558 O GLU A 45 -9.247 -10.389 -17.701 1.00 0.00 O ATOM 559 CB GLU A 45 -12.477 -9.856 -17.067 1.00 0.00 C ATOM 560 CG GLU A 45 -12.375 -10.418 -18.488 1.00 0.00 C ATOM 561 CD GLU A 45 -13.748 -10.404 -19.153 1.00 0.00 C ATOM 562 OE1 GLU A 45 -14.436 -9.404 -19.027 1.00 0.00 O ATOM 563 OE2 GLU A 45 -14.091 -11.394 -19.777 1.00 0.00 O ATOM 0 H GLU A 45 -12.130 -9.160 -14.710 1.00 0.00 H new ATOM 0 HA GLU A 45 -11.081 -11.236 -16.186 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -13.329 -10.298 -16.550 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -12.649 -8.780 -17.102 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -11.672 -9.825 -19.073 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -11.986 -11.436 -18.459 1.00 0.00 H new ATOM 570 N LYS A 46 -9.805 -8.305 -17.064 1.00 0.00 N ATOM 571 CA LYS A 46 -8.689 -7.689 -17.776 1.00 0.00 C ATOM 572 C LYS A 46 -7.363 -8.025 -17.095 1.00 0.00 C ATOM 573 O LYS A 46 -6.340 -8.200 -17.758 1.00 0.00 O ATOM 574 CB LYS A 46 -8.871 -6.169 -17.820 1.00 0.00 C ATOM 575 CG LYS A 46 -7.679 -5.530 -18.542 1.00 0.00 C ATOM 576 CD LYS A 46 -7.975 -4.052 -18.803 1.00 0.00 C ATOM 577 CE LYS A 46 -6.719 -3.368 -19.348 1.00 0.00 C ATOM 578 NZ LYS A 46 -6.270 -4.066 -20.585 1.00 0.00 N ATOM 0 H LYS A 46 -10.406 -7.649 -16.565 1.00 0.00 H new ATOM 0 HA LYS A 46 -8.672 -8.083 -18.792 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -9.798 -5.918 -18.335 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -8.951 -5.773 -16.808 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -6.777 -5.630 -17.938 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -7.491 -6.046 -19.483 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -8.793 -3.955 -19.516 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -8.296 -3.566 -17.881 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -6.927 -2.320 -19.564 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -5.927 -3.387 -18.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -5.613 -3.454 -21.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -5.789 -4.952 -20.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -7.095 -4.280 -21.181 1.00 0.00 H new ATOM 592 N ALA A 47 -7.391 -8.118 -15.769 1.00 0.00 N ATOM 593 CA ALA A 47 -6.191 -8.433 -15.001 1.00 0.00 C ATOM 594 C ALA A 47 -5.608 -9.773 -15.434 1.00 0.00 C ATOM 595 O ALA A 47 -4.424 -10.038 -15.226 1.00 0.00 O ATOM 596 CB ALA A 47 -6.517 -8.478 -13.506 1.00 0.00 C ATOM 0 H ALA A 47 -8.230 -7.980 -15.205 1.00 0.00 H new ATOM 0 HA ALA A 47 -5.455 -7.652 -15.188 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -5.614 -8.714 -12.944 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -6.900 -7.508 -13.188 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -7.270 -9.244 -13.321 1.00 0.00 H new ATOM 602 N ALA A 48 -6.442 -10.613 -16.037 1.00 0.00 N ATOM 603 CA ALA A 48 -5.992 -11.926 -16.494 1.00 0.00 C ATOM 604 C ALA A 48 -5.090 -11.796 -17.719 1.00 0.00 C ATOM 605 O ALA A 48 -4.078 -12.489 -17.832 1.00 0.00 O ATOM 606 CB ALA A 48 -7.202 -12.797 -16.841 1.00 0.00 C ATOM 0 H ALA A 48 -7.425 -10.412 -16.220 1.00 0.00 H new ATOM 0 HA ALA A 48 -5.422 -12.392 -15.690 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -6.861 -13.775 -17.181 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -7.828 -12.918 -15.957 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -7.780 -12.319 -17.632 1.00 0.00 H new ATOM 612 N ARG A 49 -5.464 -10.914 -18.639 1.00 0.00 N ATOM 613 CA ARG A 49 -4.681 -10.712 -19.854 1.00 0.00 C ATOM 614 C ARG A 49 -3.411 -9.908 -19.565 1.00 0.00 C ATOM 615 O ARG A 49 -2.363 -10.158 -20.160 1.00 0.00 O ATOM 616 CB ARG A 49 -5.521 -9.978 -20.904 1.00 0.00 C ATOM 617 CG ARG A 49 -6.607 -10.919 -21.461 1.00 0.00 C ATOM 618 CD ARG A 49 -5.974 -12.055 -22.292 1.00 0.00 C ATOM 619 NE ARG A 49 -5.754 -13.229 -21.454 1.00 0.00 N ATOM 620 CZ ARG A 49 -4.964 -14.219 -21.855 1.00 0.00 C ATOM 621 NH1 ARG A 49 -4.373 -14.155 -23.016 1.00 0.00 N ATOM 622 NH2 ARG A 49 -4.780 -15.259 -21.087 1.00 0.00 N ATOM 0 H ARG A 49 -6.298 -10.331 -18.569 1.00 0.00 H new ATOM 0 HA ARG A 49 -4.392 -11.692 -20.234 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -5.984 -9.097 -20.460 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -4.881 -9.628 -21.714 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -7.185 -11.342 -20.639 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -7.302 -10.353 -22.081 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -6.626 -12.312 -23.127 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -5.028 -11.721 -22.718 1.00 0.00 H new ATOM 0 HE ARG A 49 -6.214 -13.291 -20.546 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -4.517 -13.344 -23.618 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -3.767 -14.916 -23.322 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -5.243 -15.311 -20.180 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -4.174 -16.019 -21.395 1.00 0.00 H new ATOM 636 N GLU A 50 -3.512 -8.940 -18.658 1.00 0.00 N ATOM 637 CA GLU A 50 -2.364 -8.107 -18.314 1.00 0.00 C ATOM 638 C GLU A 50 -1.315 -8.905 -17.545 1.00 0.00 C ATOM 639 O GLU A 50 -0.116 -8.768 -17.793 1.00 0.00 O ATOM 640 CB GLU A 50 -2.821 -6.917 -17.467 1.00 0.00 C ATOM 641 CG GLU A 50 -3.595 -5.927 -18.346 1.00 0.00 C ATOM 642 CD GLU A 50 -2.627 -5.144 -19.225 1.00 0.00 C ATOM 643 OE1 GLU A 50 -1.540 -4.848 -18.758 1.00 0.00 O ATOM 644 OE2 GLU A 50 -2.987 -4.852 -20.355 1.00 0.00 O ATOM 0 H GLU A 50 -4.369 -8.715 -18.152 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.915 -7.750 -19.241 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -3.452 -7.262 -16.648 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -1.958 -6.424 -17.019 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -4.312 -6.463 -18.968 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -4.166 -5.242 -17.720 1.00 0.00 H new ATOM 651 N VAL A 51 -1.768 -9.733 -16.611 1.00 0.00 N ATOM 652 CA VAL A 51 -0.849 -10.539 -15.812 1.00 0.00 C ATOM 653 C VAL A 51 -0.312 -11.717 -16.626 1.00 0.00 C ATOM 654 O VAL A 51 0.733 -12.280 -16.302 1.00 0.00 O ATOM 655 CB VAL A 51 -1.554 -11.049 -14.551 1.00 0.00 C ATOM 656 CG1 VAL A 51 -2.542 -12.161 -14.915 1.00 0.00 C ATOM 657 CG2 VAL A 51 -0.511 -11.593 -13.572 1.00 0.00 C ATOM 0 H VAL A 51 -2.755 -9.864 -16.389 1.00 0.00 H new ATOM 0 HA VAL A 51 -0.008 -9.911 -15.520 1.00 0.00 H new ATOM 0 HB VAL A 51 -2.099 -10.226 -14.088 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -3.038 -12.517 -14.012 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -3.287 -11.773 -15.609 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -2.005 -12.986 -15.383 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -1.010 -11.957 -12.674 1.00 0.00 H new ATOM 0 HG22 VAL A 51 0.035 -12.412 -14.040 1.00 0.00 H new ATOM 0 HG23 VAL A 51 0.185 -10.799 -13.304 1.00 0.00 H new ATOM 667 N GLY A 52 -1.034 -12.081 -17.681 1.00 0.00 N ATOM 668 CA GLY A 52 -0.619 -13.190 -18.532 1.00 0.00 C ATOM 669 C GLY A 52 -0.195 -14.394 -17.696 1.00 0.00 C ATOM 670 O GLY A 52 0.924 -14.890 -17.830 1.00 0.00 O ATOM 0 H GLY A 52 -1.903 -11.628 -17.965 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -1.439 -13.472 -19.193 1.00 0.00 H new ATOM 0 HA3 GLY A 52 0.208 -12.875 -19.168 1.00 0.00 H new