USER MOD reduce.3.24.130724 H: found=0, std=0, add=470, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 470 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 38 SER OG : rot 180:sc= -0.574 USER MOD Set 1.2: A 41 LYS NZ :NH3+ 176:sc= -1.32 (180deg=-0.819) USER MOD Set 2.1: A 26 THR OG1 : rot 116:sc= 0.45 USER MOD Set 2.2: A 28 SER OG : rot 180:sc= 0.421 USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 9 LYS NZ :NH3+ 163:sc= -0.227 (180deg=-0.896) USER MOD Single : A 13 LYS NZ :NH3+ -165:sc= -0.0496 (180deg=-0.445) USER MOD Single : A 14 LYS NZ :NH3+ -123:sc= 1.02 (180deg=-0.836) USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN :FLIP amide:sc= 0.213 F(o=-2.4!,f=0.21) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 HIS : no HD1:sc= -1.07 K(o=-1.1,f=-3.1) USER MOD Single : A 36 LYS NZ :NH3+ 158:sc= -0.0446 (180deg=-0.497) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -0.272 X(o=-0.27,f=-0.48) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 5 -13.079 -9.506 -11.961 1.00 0.00 N ATOM 2 CA ILE A 5 -11.852 -9.216 -12.753 1.00 0.00 C ATOM 3 C ILE A 5 -10.804 -8.529 -11.802 1.00 0.00 C ATOM 4 O ILE A 5 -10.129 -7.568 -12.191 1.00 0.00 O ATOM 5 CB ILE A 5 -12.213 -8.254 -14.017 1.00 0.00 C ATOM 6 CG1 ILE A 5 -13.488 -8.853 -14.824 1.00 0.00 C ATOM 7 CG2 ILE A 5 -10.967 -8.154 -15.023 1.00 0.00 C ATOM 8 CD1 ILE A 5 -14.080 -7.805 -15.818 1.00 0.00 C ATOM 0 HA ILE A 5 -11.431 -10.139 -13.153 1.00 0.00 H new ATOM 0 HB ILE A 5 -12.448 -7.262 -13.632 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -13.186 -9.746 -15.372 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -14.258 -9.159 -14.115 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -11.227 -7.507 -15.861 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -10.107 -7.739 -14.497 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -10.719 -9.148 -15.395 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -14.932 -8.240 -16.341 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -14.405 -6.923 -15.266 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -13.317 -7.519 -16.542 1.00 0.00 H new ATOM 20 N MET A 6 -10.682 -9.045 -10.534 1.00 0.00 N ATOM 21 CA MET A 6 -9.719 -8.472 -9.518 1.00 0.00 C ATOM 22 C MET A 6 -9.689 -6.902 -9.609 1.00 0.00 C ATOM 23 O MET A 6 -8.623 -6.273 -9.510 1.00 0.00 O ATOM 24 CB MET A 6 -8.283 -9.081 -9.801 1.00 0.00 C ATOM 25 CG MET A 6 -8.271 -10.651 -9.560 1.00 0.00 C ATOM 26 SD MET A 6 -6.607 -11.341 -9.934 1.00 0.00 S ATOM 27 CE MET A 6 -6.715 -11.494 -11.756 1.00 0.00 C ATOM 0 H MET A 6 -11.224 -9.839 -10.193 1.00 0.00 H new ATOM 0 HA MET A 6 -10.039 -8.733 -8.509 1.00 0.00 H new ATOM 0 HB2 MET A 6 -7.989 -8.865 -10.828 1.00 0.00 H new ATOM 0 HB3 MET A 6 -7.548 -8.605 -9.152 1.00 0.00 H new ATOM 0 HG2 MET A 6 -8.539 -10.869 -8.526 1.00 0.00 H new ATOM 0 HG3 MET A 6 -9.021 -11.129 -10.191 1.00 0.00 H new ATOM 0 HE1 MET A 6 -5.781 -11.900 -12.143 1.00 0.00 H new ATOM 0 HE2 MET A 6 -7.537 -12.161 -12.017 1.00 0.00 H new ATOM 0 HE3 MET A 6 -6.892 -10.512 -12.194 1.00 0.00 H new ATOM 37 N GLN A 7 -10.893 -6.296 -9.847 1.00 0.00 N ATOM 38 CA GLN A 7 -11.031 -4.819 -10.005 1.00 0.00 C ATOM 39 C GLN A 7 -10.590 -4.100 -8.706 1.00 0.00 C ATOM 40 O GLN A 7 -9.964 -3.026 -8.757 1.00 0.00 O ATOM 41 CB GLN A 7 -12.539 -4.449 -10.362 1.00 0.00 C ATOM 42 CG GLN A 7 -12.706 -2.882 -10.628 1.00 0.00 C ATOM 43 CD GLN A 7 -14.154 -2.506 -11.015 1.00 0.00 C ATOM 44 OE1 GLN A 7 -14.954 -3.359 -11.413 1.00 0.00 O ATOM 45 NE2 GLN A 7 -14.529 -1.255 -10.918 1.00 0.00 N ATOM 0 H GLN A 7 -11.772 -6.806 -9.932 1.00 0.00 H new ATOM 0 HA GLN A 7 -10.387 -4.487 -10.820 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -12.853 -5.005 -11.245 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -13.193 -4.753 -9.545 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -12.416 -2.331 -9.734 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -12.028 -2.576 -11.425 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -13.870 -0.549 -10.590 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -15.480 -0.987 -11.171 1.00 0.00 H new ATOM 54 N ALA A 8 -10.926 -4.713 -7.545 1.00 0.00 N ATOM 55 CA ALA A 8 -10.572 -4.139 -6.209 1.00 0.00 C ATOM 56 C ALA A 8 -9.044 -4.004 -6.096 1.00 0.00 C ATOM 57 O ALA A 8 -8.531 -2.997 -5.576 1.00 0.00 O ATOM 58 CB ALA A 8 -11.080 -5.083 -5.052 1.00 0.00 C ATOM 0 H ALA A 8 -11.436 -5.595 -7.498 1.00 0.00 H new ATOM 0 HA ALA A 8 -11.047 -3.162 -6.115 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -10.815 -4.651 -4.087 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -12.163 -5.188 -5.117 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -10.614 -6.063 -5.151 1.00 0.00 H new ATOM 64 N LYS A 9 -8.316 -5.054 -6.561 1.00 0.00 N ATOM 65 CA LYS A 9 -6.830 -5.081 -6.497 1.00 0.00 C ATOM 66 C LYS A 9 -6.204 -3.975 -7.405 1.00 0.00 C ATOM 67 O LYS A 9 -5.266 -3.276 -7.001 1.00 0.00 O ATOM 68 CB LYS A 9 -6.295 -6.513 -6.911 1.00 0.00 C ATOM 69 CG LYS A 9 -4.795 -6.719 -6.431 1.00 0.00 C ATOM 70 CD LYS A 9 -4.273 -8.192 -6.759 1.00 0.00 C ATOM 71 CE LYS A 9 -2.797 -8.371 -6.241 1.00 0.00 C ATOM 72 NZ LYS A 9 -2.788 -8.155 -4.768 1.00 0.00 N ATOM 0 H LYS A 9 -8.730 -5.886 -6.981 1.00 0.00 H new ATOM 0 HA LYS A 9 -6.528 -4.875 -5.470 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -6.930 -7.283 -6.473 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -6.354 -6.629 -7.993 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -4.152 -5.987 -6.919 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -4.727 -6.538 -5.358 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -4.923 -8.930 -6.289 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -4.314 -8.370 -7.834 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -2.429 -9.369 -6.481 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -2.133 -7.660 -6.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -1.910 -8.541 -4.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -2.842 -7.136 -4.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -3.605 -8.636 -4.342 1.00 0.00 H new ATOM 86 N GLU A 10 -6.755 -3.827 -8.636 1.00 0.00 N ATOM 87 CA GLU A 10 -6.281 -2.797 -9.617 1.00 0.00 C ATOM 88 C GLU A 10 -6.585 -1.376 -9.067 1.00 0.00 C ATOM 89 O GLU A 10 -5.767 -0.456 -9.199 1.00 0.00 O ATOM 90 CB GLU A 10 -7.013 -3.023 -11.019 1.00 0.00 C ATOM 91 CG GLU A 10 -6.251 -4.088 -11.935 1.00 0.00 C ATOM 92 CD GLU A 10 -6.180 -5.479 -11.261 1.00 0.00 C ATOM 93 OE1 GLU A 10 -5.393 -5.625 -10.339 1.00 0.00 O ATOM 94 OE2 GLU A 10 -6.908 -6.367 -11.682 1.00 0.00 O ATOM 0 H GLU A 10 -7.525 -4.401 -8.979 1.00 0.00 H new ATOM 0 HA GLU A 10 -5.205 -2.893 -9.762 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -8.034 -3.362 -10.843 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -7.080 -2.073 -11.549 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -6.762 -4.174 -12.894 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -5.242 -3.733 -12.143 1.00 0.00 H new ATOM 101 N ASP A 11 -7.774 -1.234 -8.432 1.00 0.00 N ATOM 102 CA ASP A 11 -8.220 0.059 -7.825 1.00 0.00 C ATOM 103 C ASP A 11 -7.254 0.438 -6.678 1.00 0.00 C ATOM 104 O ASP A 11 -6.912 1.623 -6.502 1.00 0.00 O ATOM 105 CB ASP A 11 -9.690 -0.074 -7.266 1.00 0.00 C ATOM 106 CG ASP A 11 -10.735 -0.216 -8.398 1.00 0.00 C ATOM 107 OD1 ASP A 11 -10.379 -0.084 -9.566 1.00 0.00 O ATOM 108 OD2 ASP A 11 -11.886 -0.432 -8.069 1.00 0.00 O ATOM 0 H ASP A 11 -8.446 -1.994 -8.323 1.00 0.00 H new ATOM 0 HA ASP A 11 -8.210 0.837 -8.588 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -9.750 -0.941 -6.608 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -9.928 0.802 -6.662 1.00 0.00 H new ATOM 113 N PHE A 12 -6.809 -0.588 -5.900 1.00 0.00 N ATOM 114 CA PHE A 12 -5.863 -0.365 -4.771 1.00 0.00 C ATOM 115 C PHE A 12 -4.508 0.200 -5.306 1.00 0.00 C ATOM 116 O PHE A 12 -4.000 1.201 -4.791 1.00 0.00 O ATOM 117 CB PHE A 12 -5.616 -1.717 -4.002 1.00 0.00 C ATOM 118 CG PHE A 12 -4.732 -1.430 -2.728 1.00 0.00 C ATOM 119 CD1 PHE A 12 -5.337 -0.913 -1.558 1.00 0.00 C ATOM 120 CD2 PHE A 12 -3.323 -1.625 -2.753 1.00 0.00 C ATOM 121 CE1 PHE A 12 -4.558 -0.612 -0.436 1.00 0.00 C ATOM 122 CE2 PHE A 12 -2.555 -1.327 -1.617 1.00 0.00 C ATOM 123 CZ PHE A 12 -3.167 -0.815 -0.464 1.00 0.00 C ATOM 0 H PHE A 12 -7.085 -1.561 -6.031 1.00 0.00 H new ATOM 0 HA PHE A 12 -6.299 0.360 -4.084 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -6.567 -2.162 -3.708 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -5.116 -2.434 -4.653 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -6.404 -0.750 -1.531 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -2.845 -2.002 -3.645 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -5.027 -0.222 0.455 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -1.488 -1.493 -1.631 1.00 0.00 H new ATOM 0 HZ PHE A 12 -2.569 -0.576 0.403 1.00 0.00 H new ATOM 133 N LYS A 13 -3.948 -0.457 -6.360 1.00 0.00 N ATOM 134 CA LYS A 13 -2.656 -0.029 -6.985 1.00 0.00 C ATOM 135 C LYS A 13 -2.783 1.353 -7.595 1.00 0.00 C ATOM 136 O LYS A 13 -1.869 2.194 -7.487 1.00 0.00 O ATOM 137 CB LYS A 13 -2.248 -1.058 -8.105 1.00 0.00 C ATOM 138 CG LYS A 13 -1.835 -2.437 -7.455 1.00 0.00 C ATOM 139 CD LYS A 13 -1.423 -3.491 -8.574 1.00 0.00 C ATOM 140 CE LYS A 13 -0.974 -4.829 -7.892 1.00 0.00 C ATOM 141 NZ LYS A 13 0.261 -4.564 -7.093 1.00 0.00 N ATOM 0 H LYS A 13 -4.365 -1.280 -6.795 1.00 0.00 H new ATOM 0 HA LYS A 13 -1.891 0.002 -6.210 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -3.080 -1.207 -8.793 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -1.418 -0.660 -8.690 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -1.002 -2.285 -6.768 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -2.665 -2.830 -6.868 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -2.264 -3.675 -9.242 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -0.613 -3.092 -9.184 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -1.767 -5.210 -7.248 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -0.781 -5.592 -8.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 0.714 -5.467 -6.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 0.920 -3.988 -7.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 0.009 -4.053 -6.223 1.00 0.00 H new ATOM 155 N LYS A 14 -3.933 1.571 -8.256 1.00 0.00 N ATOM 156 CA LYS A 14 -4.222 2.841 -8.918 1.00 0.00 C ATOM 157 C LYS A 14 -4.185 3.975 -7.867 1.00 0.00 C ATOM 158 O LYS A 14 -3.674 5.062 -8.117 1.00 0.00 O ATOM 159 CB LYS A 14 -5.637 2.783 -9.633 1.00 0.00 C ATOM 160 CG LYS A 14 -5.903 4.122 -10.467 1.00 0.00 C ATOM 161 CD LYS A 14 -7.282 4.060 -11.251 1.00 0.00 C ATOM 162 CE LYS A 14 -7.494 5.395 -12.066 1.00 0.00 C ATOM 163 NZ LYS A 14 -7.611 6.529 -11.104 1.00 0.00 N ATOM 0 H LYS A 14 -4.676 0.877 -8.342 1.00 0.00 H new ATOM 0 HA LYS A 14 -3.470 3.035 -9.683 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -5.679 1.920 -10.298 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -6.422 2.650 -8.888 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -5.907 4.977 -9.791 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -5.089 4.278 -11.174 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -7.288 3.205 -11.927 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -8.104 3.917 -10.549 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -6.657 5.560 -12.745 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -8.393 5.325 -12.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -8.514 7.022 -11.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -7.576 6.164 -10.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -6.825 7.193 -11.253 1.00 0.00 H new ATOM 177 N MET A 15 -4.763 3.705 -6.688 1.00 0.00 N ATOM 178 CA MET A 15 -4.793 4.706 -5.601 1.00 0.00 C ATOM 179 C MET A 15 -3.345 4.976 -5.057 1.00 0.00 C ATOM 180 O MET A 15 -2.978 6.109 -4.805 1.00 0.00 O ATOM 181 CB MET A 15 -5.736 4.200 -4.434 1.00 0.00 C ATOM 182 CG MET A 15 -6.048 5.359 -3.386 1.00 0.00 C ATOM 183 SD MET A 15 -7.126 6.613 -4.180 1.00 0.00 S ATOM 184 CE MET A 15 -7.327 7.740 -2.788 1.00 0.00 C ATOM 0 H MET A 15 -5.211 2.817 -6.460 1.00 0.00 H new ATOM 0 HA MET A 15 -5.187 5.642 -5.996 1.00 0.00 H new ATOM 0 HB2 MET A 15 -6.670 3.829 -4.856 1.00 0.00 H new ATOM 0 HB3 MET A 15 -5.263 3.363 -3.921 1.00 0.00 H new ATOM 0 HG2 MET A 15 -6.538 4.946 -2.504 1.00 0.00 H new ATOM 0 HG3 MET A 15 -5.120 5.821 -3.049 1.00 0.00 H new ATOM 0 HE1 MET A 15 -7.961 8.576 -3.085 1.00 0.00 H new ATOM 0 HE2 MET A 15 -7.791 7.211 -1.955 1.00 0.00 H new ATOM 0 HE3 MET A 15 -6.351 8.116 -2.480 1.00 0.00 H new ATOM 194 N MET A 16 -2.566 3.887 -4.858 1.00 0.00 N ATOM 195 CA MET A 16 -1.167 3.957 -4.287 1.00 0.00 C ATOM 196 C MET A 16 -0.199 4.760 -5.204 1.00 0.00 C ATOM 197 O MET A 16 0.611 5.567 -4.706 1.00 0.00 O ATOM 198 CB MET A 16 -0.629 2.480 -4.134 1.00 0.00 C ATOM 199 CG MET A 16 -1.304 1.710 -2.923 1.00 0.00 C ATOM 200 SD MET A 16 -0.794 2.434 -1.319 1.00 0.00 S ATOM 201 CE MET A 16 0.669 1.403 -0.966 1.00 0.00 C ATOM 0 H MET A 16 -2.869 2.939 -5.080 1.00 0.00 H new ATOM 0 HA MET A 16 -1.209 4.471 -3.327 1.00 0.00 H new ATOM 0 HB2 MET A 16 -0.815 1.932 -5.058 1.00 0.00 H new ATOM 0 HB3 MET A 16 0.451 2.503 -3.989 1.00 0.00 H new ATOM 0 HG2 MET A 16 -2.389 1.755 -3.018 1.00 0.00 H new ATOM 0 HG3 MET A 16 -1.025 0.657 -2.956 1.00 0.00 H new ATOM 0 HE1 MET A 16 1.109 1.709 -0.017 1.00 0.00 H new ATOM 0 HE2 MET A 16 0.371 0.356 -0.907 1.00 0.00 H new ATOM 0 HE3 MET A 16 1.402 1.527 -1.763 1.00 0.00 H new ATOM 211 N GLU A 17 -0.281 4.524 -6.537 1.00 0.00 N ATOM 212 CA GLU A 17 0.600 5.225 -7.531 1.00 0.00 C ATOM 213 C GLU A 17 0.189 6.728 -7.626 1.00 0.00 C ATOM 214 O GLU A 17 1.003 7.590 -7.935 1.00 0.00 O ATOM 215 CB GLU A 17 0.540 4.472 -8.942 1.00 0.00 C ATOM 216 CG GLU A 17 -0.792 4.783 -9.723 1.00 0.00 C ATOM 217 CD GLU A 17 -0.948 3.934 -11.013 1.00 0.00 C ATOM 218 OE1 GLU A 17 -0.015 3.238 -11.387 1.00 0.00 O ATOM 219 OE2 GLU A 17 -2.017 4.002 -11.599 1.00 0.00 O ATOM 0 H GLU A 17 -0.937 3.864 -6.954 1.00 0.00 H new ATOM 0 HA GLU A 17 1.639 5.195 -7.202 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.394 4.772 -9.549 1.00 0.00 H new ATOM 0 HB3 GLU A 17 0.624 3.397 -8.783 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.643 4.598 -9.068 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -0.815 5.841 -9.985 1.00 0.00 H new ATOM 226 N GLU A 18 -1.137 7.002 -7.370 1.00 0.00 N ATOM 227 CA GLU A 18 -1.724 8.393 -7.421 1.00 0.00 C ATOM 228 C GLU A 18 -1.672 9.078 -6.028 1.00 0.00 C ATOM 229 O GLU A 18 -1.785 10.311 -5.942 1.00 0.00 O ATOM 230 CB GLU A 18 -3.246 8.325 -7.891 1.00 0.00 C ATOM 231 CG GLU A 18 -3.372 7.894 -9.417 1.00 0.00 C ATOM 232 CD GLU A 18 -4.854 7.767 -9.865 1.00 0.00 C ATOM 233 OE1 GLU A 18 -5.750 8.007 -9.057 1.00 0.00 O ATOM 234 OE2 GLU A 18 -5.057 7.434 -11.017 1.00 0.00 O ATOM 0 H GLU A 18 -1.817 6.281 -7.127 1.00 0.00 H new ATOM 0 HA GLU A 18 -1.132 8.974 -8.128 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.788 7.615 -7.266 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -3.715 9.299 -7.748 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -2.865 8.628 -10.044 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -2.865 6.941 -9.568 1.00 0.00 H new ATOM 241 N ALA A 19 -1.515 8.272 -4.945 1.00 0.00 N ATOM 242 CA ALA A 19 -1.471 8.797 -3.540 1.00 0.00 C ATOM 243 C ALA A 19 -0.029 9.086 -3.127 1.00 0.00 C ATOM 244 O ALA A 19 0.213 9.344 -1.954 1.00 0.00 O ATOM 245 CB ALA A 19 -2.110 7.731 -2.562 1.00 0.00 C ATOM 0 H ALA A 19 -1.416 7.259 -5.010 1.00 0.00 H new ATOM 0 HA ALA A 19 -2.039 9.726 -3.487 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.079 8.110 -1.540 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -3.145 7.548 -2.850 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.547 6.800 -2.621 1.00 0.00 H new ATOM 251 N LYS A 20 0.940 8.961 -4.120 1.00 0.00 N ATOM 252 CA LYS A 20 2.416 9.117 -3.856 1.00 0.00 C ATOM 253 C LYS A 20 2.631 9.959 -2.608 1.00 0.00 C ATOM 254 O LYS A 20 2.200 11.116 -2.546 1.00 0.00 O ATOM 255 CB LYS A 20 3.112 9.791 -5.114 1.00 0.00 C ATOM 256 CG LYS A 20 3.229 8.751 -6.335 1.00 0.00 C ATOM 257 CD LYS A 20 4.617 7.958 -6.332 1.00 0.00 C ATOM 258 CE LYS A 20 5.791 8.814 -6.957 1.00 0.00 C ATOM 259 NZ LYS A 20 7.097 8.136 -6.667 1.00 0.00 N ATOM 0 H LYS A 20 0.717 8.755 -5.094 1.00 0.00 H new ATOM 0 HA LYS A 20 2.864 8.137 -3.692 1.00 0.00 H new ATOM 0 HB2 LYS A 20 2.538 10.663 -5.428 1.00 0.00 H new ATOM 0 HB3 LYS A 20 4.105 10.146 -4.838 1.00 0.00 H new ATOM 0 HG2 LYS A 20 2.407 8.038 -6.281 1.00 0.00 H new ATOM 0 HG3 LYS A 20 3.123 9.288 -7.277 1.00 0.00 H new ATOM 0 HD2 LYS A 20 4.874 7.682 -5.309 1.00 0.00 H new ATOM 0 HD3 LYS A 20 4.506 7.031 -6.894 1.00 0.00 H new ATOM 0 HE2 LYS A 20 5.651 8.916 -8.033 1.00 0.00 H new ATOM 0 HE3 LYS A 20 5.788 9.820 -6.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 7.875 8.693 -7.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 7.228 8.060 -5.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 7.095 7.185 -7.087 1.00 0.00 H new ATOM 273 N PHE A 21 3.227 9.322 -1.591 1.00 0.00 N ATOM 274 CA PHE A 21 3.446 9.925 -0.272 1.00 0.00 C ATOM 275 C PHE A 21 4.860 9.627 0.175 1.00 0.00 C ATOM 276 O PHE A 21 5.580 8.873 -0.498 1.00 0.00 O ATOM 277 CB PHE A 21 2.371 9.324 0.717 1.00 0.00 C ATOM 278 CG PHE A 21 2.518 7.743 0.813 1.00 0.00 C ATOM 279 CD1 PHE A 21 1.935 6.893 -0.180 1.00 0.00 C ATOM 280 CD2 PHE A 21 3.241 7.152 1.875 1.00 0.00 C ATOM 281 CE1 PHE A 21 2.075 5.497 -0.092 1.00 0.00 C ATOM 282 CE2 PHE A 21 3.376 5.755 1.956 1.00 0.00 C ATOM 283 CZ PHE A 21 2.791 4.927 0.973 1.00 0.00 C ATOM 0 H PHE A 21 3.573 8.365 -1.663 1.00 0.00 H new ATOM 0 HA PHE A 21 3.331 11.009 -0.297 1.00 0.00 H new ATOM 0 HB2 PHE A 21 2.492 9.766 1.706 1.00 0.00 H new ATOM 0 HB3 PHE A 21 1.369 9.581 0.373 1.00 0.00 H new ATOM 0 HD1 PHE A 21 1.384 7.327 -1.002 1.00 0.00 H new ATOM 0 HD2 PHE A 21 3.693 7.779 2.630 1.00 0.00 H new ATOM 0 HE1 PHE A 21 1.631 4.862 -0.845 1.00 0.00 H new ATOM 0 HE2 PHE A 21 3.929 5.314 2.772 1.00 0.00 H new ATOM 0 HZ PHE A 21 2.894 3.854 1.040 1.00 0.00 H new ATOM 293 N ASN A 22 5.267 10.240 1.305 1.00 0.00 N ATOM 294 CA ASN A 22 6.622 10.058 1.857 1.00 0.00 C ATOM 295 C ASN A 22 7.018 8.508 1.852 1.00 0.00 C ATOM 296 O ASN A 22 6.300 7.699 2.462 1.00 0.00 O ATOM 297 CB ASN A 22 6.642 10.641 3.304 1.00 0.00 C ATOM 298 CG ASN A 22 6.413 12.171 3.249 1.00 0.00 C ATOM 299 OD1 ASN A 22 5.231 12.626 2.930 1.00 0.00 O flip ATOM 300 ND2 ASN A 22 7.334 12.956 3.483 1.00 0.00 N flip ATOM 0 H ASN A 22 4.675 10.865 1.852 1.00 0.00 H new ATOM 0 HA ASN A 22 7.355 10.583 1.245 1.00 0.00 H new ATOM 0 HB2 ASN A 22 5.868 10.168 3.908 1.00 0.00 H new ATOM 0 HB3 ASN A 22 7.597 10.423 3.782 1.00 0.00 H new ATOM 0 HD21 ASN A 22 8.257 12.600 3.732 1.00 0.00 H new ATOM 0 HD22 ASN A 22 7.173 13.962 3.428 1.00 0.00 H new ATOM 307 N PRO A 23 8.116 8.079 1.135 1.00 0.00 N ATOM 308 CA PRO A 23 8.516 6.611 1.047 1.00 0.00 C ATOM 309 C PRO A 23 9.030 6.071 2.392 1.00 0.00 C ATOM 310 O PRO A 23 9.119 4.848 2.574 1.00 0.00 O ATOM 311 CB PRO A 23 9.624 6.596 -0.080 1.00 0.00 C ATOM 312 CG PRO A 23 10.244 7.976 -0.033 1.00 0.00 C ATOM 313 CD PRO A 23 9.093 8.942 0.358 1.00 0.00 C ATOM 0 HA PRO A 23 7.677 5.957 0.809 1.00 0.00 H new ATOM 0 HB2 PRO A 23 10.368 5.822 0.107 1.00 0.00 H new ATOM 0 HB3 PRO A 23 9.190 6.391 -1.059 1.00 0.00 H new ATOM 0 HG2 PRO A 23 11.054 8.017 0.696 1.00 0.00 H new ATOM 0 HG3 PRO A 23 10.671 8.246 -0.999 1.00 0.00 H new ATOM 0 HD2 PRO A 23 9.459 9.770 0.965 1.00 0.00 H new ATOM 0 HD3 PRO A 23 8.623 9.377 -0.524 1.00 0.00 H new ATOM 321 N ARG A 24 9.389 7.003 3.321 1.00 0.00 N ATOM 322 CA ARG A 24 9.936 6.636 4.672 1.00 0.00 C ATOM 323 C ARG A 24 8.810 6.471 5.701 1.00 0.00 C ATOM 324 O ARG A 24 9.065 6.034 6.834 1.00 0.00 O ATOM 325 CB ARG A 24 10.944 7.745 5.120 1.00 0.00 C ATOM 326 CG ARG A 24 12.181 7.813 4.117 1.00 0.00 C ATOM 327 CD ARG A 24 13.129 9.000 4.502 1.00 0.00 C ATOM 328 NE ARG A 24 13.675 8.756 5.861 1.00 0.00 N ATOM 329 CZ ARG A 24 14.428 9.661 6.525 1.00 0.00 C ATOM 330 NH1 ARG A 24 14.724 10.817 5.977 1.00 0.00 N ATOM 331 NH2 ARG A 24 14.851 9.384 7.720 1.00 0.00 N ATOM 0 H ARG A 24 9.312 8.008 3.166 1.00 0.00 H new ATOM 0 HA ARG A 24 10.450 5.677 4.606 1.00 0.00 H new ATOM 0 HB2 ARG A 24 10.440 8.711 5.152 1.00 0.00 H new ATOM 0 HB3 ARG A 24 11.298 7.537 6.130 1.00 0.00 H new ATOM 0 HG2 ARG A 24 12.733 6.874 4.146 1.00 0.00 H new ATOM 0 HG3 ARG A 24 11.823 7.941 3.095 1.00 0.00 H new ATOM 0 HD2 ARG A 24 13.940 9.085 3.779 1.00 0.00 H new ATOM 0 HD3 ARG A 24 12.582 9.942 4.479 1.00 0.00 H new ATOM 0 HE ARG A 24 13.473 7.865 6.314 1.00 0.00 H new ATOM 0 HH11 ARG A 24 14.385 11.039 5.041 1.00 0.00 H new ATOM 0 HH12 ARG A 24 15.293 11.492 6.487 1.00 0.00 H new ATOM 0 HH21 ARG A 24 14.615 8.490 8.150 1.00 0.00 H new ATOM 0 HH22 ARG A 24 15.420 10.060 8.229 1.00 0.00 H new ATOM 345 N ALA A 25 7.557 6.768 5.292 1.00 0.00 N ATOM 346 CA ALA A 25 6.387 6.595 6.175 1.00 0.00 C ATOM 347 C ALA A 25 6.129 5.090 6.304 1.00 0.00 C ATOM 348 O ALA A 25 6.453 4.331 5.389 1.00 0.00 O ATOM 349 CB ALA A 25 5.140 7.317 5.583 1.00 0.00 C ATOM 0 H ALA A 25 7.333 7.126 4.363 1.00 0.00 H new ATOM 0 HA ALA A 25 6.580 7.034 7.154 1.00 0.00 H new ATOM 0 HB1 ALA A 25 4.288 7.177 6.249 1.00 0.00 H new ATOM 0 HB2 ALA A 25 5.350 8.382 5.481 1.00 0.00 H new ATOM 0 HB3 ALA A 25 4.908 6.898 4.604 1.00 0.00 H new ATOM 355 N THR A 26 5.550 4.685 7.434 1.00 0.00 N ATOM 356 CA THR A 26 5.226 3.275 7.719 1.00 0.00 C ATOM 357 C THR A 26 3.794 3.000 7.283 1.00 0.00 C ATOM 358 O THR A 26 3.039 3.937 6.983 1.00 0.00 O ATOM 359 CB THR A 26 5.394 3.007 9.255 1.00 0.00 C ATOM 360 OG1 THR A 26 4.454 3.796 9.968 1.00 0.00 O ATOM 361 CG2 THR A 26 6.840 3.388 9.746 1.00 0.00 C ATOM 0 H THR A 26 5.289 5.324 8.185 1.00 0.00 H new ATOM 0 HA THR A 26 5.898 2.613 7.172 1.00 0.00 H new ATOM 0 HB THR A 26 5.230 1.945 9.436 1.00 0.00 H new ATOM 0 HG1 THR A 26 3.823 3.210 10.436 1.00 0.00 H new ATOM 0 HG21 THR A 26 6.925 3.191 10.815 1.00 0.00 H new ATOM 0 HG22 THR A 26 7.576 2.791 9.207 1.00 0.00 H new ATOM 0 HG23 THR A 26 7.022 4.446 9.557 1.00 0.00 H new ATOM 369 N PHE A 27 3.422 1.712 7.267 1.00 0.00 N ATOM 370 CA PHE A 27 2.062 1.277 6.890 1.00 0.00 C ATOM 371 C PHE A 27 0.997 1.874 7.857 1.00 0.00 C ATOM 372 O PHE A 27 -0.062 2.331 7.420 1.00 0.00 O ATOM 373 CB PHE A 27 1.989 -0.286 6.907 1.00 0.00 C ATOM 374 CG PHE A 27 0.525 -0.746 6.571 1.00 0.00 C ATOM 375 CD1 PHE A 27 0.024 -0.568 5.263 1.00 0.00 C ATOM 376 CD2 PHE A 27 -0.326 -1.291 7.576 1.00 0.00 C ATOM 377 CE1 PHE A 27 -1.282 -0.930 4.954 1.00 0.00 C ATOM 378 CE2 PHE A 27 -1.637 -1.657 7.256 1.00 0.00 C ATOM 379 CZ PHE A 27 -2.119 -1.477 5.948 1.00 0.00 C ATOM 0 H PHE A 27 4.047 0.945 7.512 1.00 0.00 H new ATOM 0 HA PHE A 27 1.846 1.641 5.885 1.00 0.00 H new ATOM 0 HB2 PHE A 27 2.688 -0.701 6.181 1.00 0.00 H new ATOM 0 HB3 PHE A 27 2.285 -0.664 7.886 1.00 0.00 H new ATOM 0 HD1 PHE A 27 0.660 -0.148 4.498 1.00 0.00 H new ATOM 0 HD2 PHE A 27 0.041 -1.421 8.583 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -1.656 -0.792 3.950 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -2.280 -2.078 8.015 1.00 0.00 H new ATOM 0 HZ PHE A 27 -3.133 -1.758 5.704 1.00 0.00 H new ATOM 389 N SER A 28 1.288 1.835 9.168 1.00 0.00 N ATOM 390 CA SER A 28 0.351 2.351 10.206 1.00 0.00 C ATOM 391 C SER A 28 0.032 3.849 9.959 1.00 0.00 C ATOM 392 O SER A 28 -1.112 4.275 10.136 1.00 0.00 O ATOM 393 CB SER A 28 1.012 2.179 11.607 1.00 0.00 C ATOM 394 OG SER A 28 2.216 2.947 11.646 1.00 0.00 O ATOM 0 H SER A 28 2.157 1.456 9.543 1.00 0.00 H new ATOM 0 HA SER A 28 -0.582 1.790 10.158 1.00 0.00 H new ATOM 0 HB2 SER A 28 0.329 2.509 12.390 1.00 0.00 H new ATOM 0 HB3 SER A 28 1.229 1.128 11.795 1.00 0.00 H new ATOM 0 HG SER A 28 2.639 2.847 12.524 1.00 0.00 H new ATOM 400 N GLU A 29 1.043 4.623 9.515 1.00 0.00 N ATOM 401 CA GLU A 29 0.860 6.078 9.201 1.00 0.00 C ATOM 402 C GLU A 29 0.041 6.263 7.899 1.00 0.00 C ATOM 403 O GLU A 29 -0.898 7.082 7.851 1.00 0.00 O ATOM 404 CB GLU A 29 2.285 6.762 9.056 1.00 0.00 C ATOM 405 CG GLU A 29 3.054 6.814 10.451 1.00 0.00 C ATOM 406 CD GLU A 29 2.325 7.742 11.455 1.00 0.00 C ATOM 407 OE1 GLU A 29 2.080 8.881 11.098 1.00 0.00 O ATOM 408 OE2 GLU A 29 2.025 7.291 12.550 1.00 0.00 O ATOM 0 H GLU A 29 1.992 4.280 9.363 1.00 0.00 H new ATOM 0 HA GLU A 29 0.308 6.550 10.013 1.00 0.00 H new ATOM 0 HB2 GLU A 29 2.882 6.210 8.331 1.00 0.00 H new ATOM 0 HB3 GLU A 29 2.166 7.773 8.667 1.00 0.00 H new ATOM 0 HG2 GLU A 29 3.128 5.809 10.867 1.00 0.00 H new ATOM 0 HG3 GLU A 29 4.072 7.170 10.295 1.00 0.00 H new ATOM 415 N PHE A 30 0.390 5.471 6.851 1.00 0.00 N ATOM 416 CA PHE A 30 -0.317 5.521 5.548 1.00 0.00 C ATOM 417 C PHE A 30 -1.798 5.034 5.697 1.00 0.00 C ATOM 418 O PHE A 30 -2.734 5.654 5.167 1.00 0.00 O ATOM 419 CB PHE A 30 0.449 4.614 4.517 1.00 0.00 C ATOM 420 CG PHE A 30 -0.309 4.653 3.141 1.00 0.00 C ATOM 421 CD1 PHE A 30 -0.212 5.806 2.325 1.00 0.00 C ATOM 422 CD2 PHE A 30 -1.165 3.583 2.742 1.00 0.00 C ATOM 423 CE1 PHE A 30 -0.939 5.884 1.131 1.00 0.00 C ATOM 424 CE2 PHE A 30 -1.878 3.672 1.541 1.00 0.00 C ATOM 425 CZ PHE A 30 -1.774 4.825 0.739 1.00 0.00 C ATOM 0 H PHE A 30 1.153 4.795 6.885 1.00 0.00 H new ATOM 0 HA PHE A 30 -0.337 6.551 5.193 1.00 0.00 H new ATOM 0 HB2 PHE A 30 1.473 4.967 4.393 1.00 0.00 H new ATOM 0 HB3 PHE A 30 0.507 3.590 4.886 1.00 0.00 H new ATOM 0 HD1 PHE A 30 0.424 6.626 2.624 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -1.262 2.707 3.365 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -0.857 6.763 0.508 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -2.510 2.854 1.228 1.00 0.00 H new ATOM 0 HZ PHE A 30 -2.338 4.895 -0.180 1.00 0.00 H new ATOM 435 N ALA A 31 -1.972 3.894 6.413 1.00 0.00 N ATOM 436 CA ALA A 31 -3.306 3.275 6.643 1.00 0.00 C ATOM 437 C ALA A 31 -4.185 4.194 7.501 1.00 0.00 C ATOM 438 O ALA A 31 -5.351 4.340 7.230 1.00 0.00 O ATOM 439 CB ALA A 31 -3.116 1.892 7.344 1.00 0.00 C ATOM 0 H ALA A 31 -1.202 3.382 6.843 1.00 0.00 H new ATOM 0 HA ALA A 31 -3.805 3.130 5.685 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -4.090 1.434 7.515 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -2.516 1.241 6.708 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -2.609 2.034 8.299 1.00 0.00 H new ATOM 445 N ALA A 32 -3.580 4.824 8.525 1.00 0.00 N ATOM 446 CA ALA A 32 -4.309 5.765 9.432 1.00 0.00 C ATOM 447 C ALA A 32 -4.889 6.937 8.614 1.00 0.00 C ATOM 448 O ALA A 32 -6.013 7.398 8.881 1.00 0.00 O ATOM 449 CB ALA A 32 -3.320 6.324 10.517 1.00 0.00 C ATOM 0 H ALA A 32 -2.593 4.707 8.754 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.123 5.230 9.922 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -3.853 7.009 11.176 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -2.916 5.497 11.102 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -2.503 6.854 10.027 1.00 0.00 H new ATOM 455 N LYS A 33 -4.116 7.401 7.606 1.00 0.00 N ATOM 456 CA LYS A 33 -4.554 8.514 6.723 1.00 0.00 C ATOM 457 C LYS A 33 -5.685 8.069 5.758 1.00 0.00 C ATOM 458 O LYS A 33 -6.668 8.807 5.547 1.00 0.00 O ATOM 459 CB LYS A 33 -3.324 9.061 5.881 1.00 0.00 C ATOM 460 CG LYS A 33 -3.616 10.530 5.295 1.00 0.00 C ATOM 461 CD LYS A 33 -3.335 11.639 6.412 1.00 0.00 C ATOM 462 CE LYS A 33 -3.709 13.074 5.921 1.00 0.00 C ATOM 463 NZ LYS A 33 -3.371 14.039 7.015 1.00 0.00 N ATOM 0 H LYS A 33 -3.193 7.028 7.382 1.00 0.00 H new ATOM 0 HA LYS A 33 -4.944 9.306 7.363 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -2.435 9.090 6.511 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -3.111 8.377 5.060 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -2.986 10.713 4.424 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -4.651 10.596 4.960 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -3.907 11.403 7.309 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -2.281 11.614 6.690 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -3.161 13.321 5.012 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -4.770 13.129 5.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -3.611 15.005 6.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -3.913 13.799 7.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -2.354 13.985 7.224 1.00 0.00 H new ATOM 477 N HIS A 34 -5.518 6.865 5.152 1.00 0.00 N ATOM 478 CA HIS A 34 -6.499 6.311 4.163 1.00 0.00 C ATOM 479 C HIS A 34 -7.508 5.372 4.861 1.00 0.00 C ATOM 480 O HIS A 34 -8.320 4.753 4.202 1.00 0.00 O ATOM 481 CB HIS A 34 -5.697 5.532 3.040 1.00 0.00 C ATOM 482 CG HIS A 34 -4.842 6.522 2.242 1.00 0.00 C ATOM 483 ND1 HIS A 34 -3.756 7.154 2.812 1.00 0.00 N ATOM 484 CD2 HIS A 34 -4.919 7.013 0.951 1.00 0.00 C ATOM 485 CE1 HIS A 34 -3.232 7.985 1.894 1.00 0.00 C ATOM 486 NE2 HIS A 34 -3.904 7.939 0.743 1.00 0.00 N ATOM 0 H HIS A 34 -4.718 6.256 5.326 1.00 0.00 H new ATOM 0 HA HIS A 34 -7.066 7.126 3.713 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -5.063 4.770 3.493 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -6.390 5.016 2.376 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -5.655 6.721 0.217 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -2.371 8.614 2.068 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -3.714 8.469 -0.107 1.00 0.00 H new ATOM 494 N ALA A 35 -7.388 5.222 6.203 1.00 0.00 N ATOM 495 CA ALA A 35 -8.264 4.296 7.000 1.00 0.00 C ATOM 496 C ALA A 35 -9.746 4.565 6.701 1.00 0.00 C ATOM 497 O ALA A 35 -10.570 3.630 6.709 1.00 0.00 O ATOM 498 CB ALA A 35 -8.004 4.498 8.550 1.00 0.00 C ATOM 0 H ALA A 35 -6.699 5.723 6.764 1.00 0.00 H new ATOM 0 HA ALA A 35 -8.021 3.272 6.718 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -8.644 3.822 9.117 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -6.959 4.283 8.775 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -8.230 5.528 8.826 1.00 0.00 H new ATOM 504 N LYS A 36 -10.084 5.860 6.481 1.00 0.00 N ATOM 505 CA LYS A 36 -11.477 6.283 6.223 1.00 0.00 C ATOM 506 C LYS A 36 -11.876 5.990 4.764 1.00 0.00 C ATOM 507 O LYS A 36 -13.062 6.067 4.429 1.00 0.00 O ATOM 508 CB LYS A 36 -11.602 7.828 6.511 1.00 0.00 C ATOM 509 CG LYS A 36 -11.235 8.166 8.027 1.00 0.00 C ATOM 510 CD LYS A 36 -11.354 9.742 8.324 1.00 0.00 C ATOM 511 CE LYS A 36 -12.851 10.177 8.569 1.00 0.00 C ATOM 512 NZ LYS A 36 -13.352 9.498 9.794 1.00 0.00 N ATOM 0 H LYS A 36 -9.410 6.626 6.478 1.00 0.00 H new ATOM 0 HA LYS A 36 -12.147 5.724 6.877 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -10.941 8.379 5.843 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -12.618 8.159 6.298 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -11.900 7.618 8.694 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -10.220 7.830 8.241 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -10.754 9.994 9.198 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -10.945 10.303 7.484 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -12.916 11.259 8.684 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -13.467 9.910 7.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -14.160 10.028 10.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -13.653 8.531 9.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -12.593 9.460 10.504 1.00 0.00 H new ATOM 526 N ASP A 37 -10.880 5.649 3.896 1.00 0.00 N ATOM 527 CA ASP A 37 -11.162 5.347 2.475 1.00 0.00 C ATOM 528 C ASP A 37 -11.966 4.027 2.394 1.00 0.00 C ATOM 529 O ASP A 37 -11.732 3.106 3.176 1.00 0.00 O ATOM 530 CB ASP A 37 -9.813 5.225 1.663 1.00 0.00 C ATOM 531 CG ASP A 37 -9.017 6.556 1.693 1.00 0.00 C ATOM 532 OD1 ASP A 37 -9.369 7.447 2.460 1.00 0.00 O ATOM 533 OD2 ASP A 37 -8.067 6.654 0.948 1.00 0.00 O ATOM 0 H ASP A 37 -9.896 5.579 4.156 1.00 0.00 H new ATOM 0 HA ASP A 37 -11.747 6.156 2.037 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -9.204 4.425 2.083 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -10.031 4.952 0.631 1.00 0.00 H new ATOM 538 N SER A 38 -12.915 3.976 1.453 1.00 0.00 N ATOM 539 CA SER A 38 -13.782 2.801 1.243 1.00 0.00 C ATOM 540 C SER A 38 -12.975 1.584 0.728 1.00 0.00 C ATOM 541 O SER A 38 -13.290 0.435 1.041 1.00 0.00 O ATOM 542 CB SER A 38 -14.902 3.184 0.251 1.00 0.00 C ATOM 543 OG SER A 38 -15.770 2.081 0.068 1.00 0.00 O ATOM 0 H SER A 38 -13.107 4.746 0.813 1.00 0.00 H new ATOM 0 HA SER A 38 -14.221 2.505 2.196 1.00 0.00 H new ATOM 0 HB2 SER A 38 -15.460 4.040 0.630 1.00 0.00 H new ATOM 0 HB3 SER A 38 -14.470 3.482 -0.704 1.00 0.00 H new ATOM 0 HG SER A 38 -16.481 2.325 -0.560 1.00 0.00 H new ATOM 549 N ARG A 39 -11.933 1.877 -0.064 1.00 0.00 N ATOM 550 CA ARG A 39 -11.033 0.840 -0.656 1.00 0.00 C ATOM 551 C ARG A 39 -10.232 0.122 0.439 1.00 0.00 C ATOM 552 O ARG A 39 -9.767 -1.011 0.234 1.00 0.00 O ATOM 553 CB ARG A 39 -10.019 1.534 -1.656 1.00 0.00 C ATOM 554 CG ARG A 39 -10.790 2.139 -2.905 1.00 0.00 C ATOM 555 CD ARG A 39 -9.799 2.818 -3.916 1.00 0.00 C ATOM 556 NE ARG A 39 -10.591 3.386 -5.029 1.00 0.00 N ATOM 557 CZ ARG A 39 -11.225 4.589 -4.951 1.00 0.00 C ATOM 558 NH1 ARG A 39 -11.197 5.300 -3.838 1.00 0.00 N ATOM 559 NH2 ARG A 39 -11.889 5.030 -5.973 1.00 0.00 N ATOM 0 H ARG A 39 -11.680 2.831 -0.320 1.00 0.00 H new ATOM 0 HA ARG A 39 -11.649 0.110 -1.182 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -9.475 2.325 -1.140 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -9.280 0.808 -1.995 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -11.343 1.348 -3.411 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -11.522 2.871 -2.563 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -9.226 3.601 -3.419 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -9.082 2.089 -4.293 1.00 0.00 H new ATOM 0 HE ARG A 39 -10.666 2.852 -5.895 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -10.696 4.950 -3.022 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -11.677 6.199 -3.795 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -11.934 4.477 -6.829 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -12.366 5.930 -5.921 1.00 0.00 H new ATOM 573 N PHE A 40 -10.027 0.814 1.584 1.00 0.00 N ATOM 574 CA PHE A 40 -9.232 0.246 2.696 1.00 0.00 C ATOM 575 C PHE A 40 -9.972 -0.953 3.373 1.00 0.00 C ATOM 576 O PHE A 40 -9.394 -2.039 3.563 1.00 0.00 O ATOM 577 CB PHE A 40 -8.937 1.369 3.752 1.00 0.00 C ATOM 578 CG PHE A 40 -7.964 0.793 4.829 1.00 0.00 C ATOM 579 CD1 PHE A 40 -6.578 0.761 4.567 1.00 0.00 C ATOM 580 CD2 PHE A 40 -8.463 0.233 6.043 1.00 0.00 C ATOM 581 CE1 PHE A 40 -5.706 0.207 5.492 1.00 0.00 C ATOM 582 CE2 PHE A 40 -7.577 -0.334 6.962 1.00 0.00 C ATOM 583 CZ PHE A 40 -6.197 -0.350 6.690 1.00 0.00 C ATOM 0 H PHE A 40 -10.394 1.749 1.760 1.00 0.00 H new ATOM 0 HA PHE A 40 -8.294 -0.133 2.291 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -8.493 2.238 3.267 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -9.864 1.703 4.219 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -6.195 1.169 3.643 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -9.523 0.248 6.251 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -4.644 0.202 5.293 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -7.951 -0.760 7.881 1.00 0.00 H new ATOM 0 HZ PHE A 40 -5.513 -0.790 7.400 1.00 0.00 H new ATOM 593 N LYS A 41 -11.248 -0.696 3.760 1.00 0.00 N ATOM 594 CA LYS A 41 -12.105 -1.701 4.464 1.00 0.00 C ATOM 595 C LYS A 41 -12.622 -2.758 3.463 1.00 0.00 C ATOM 596 O LYS A 41 -13.112 -3.819 3.870 1.00 0.00 O ATOM 597 CB LYS A 41 -13.348 -0.971 5.180 1.00 0.00 C ATOM 598 CG LYS A 41 -14.443 -0.482 4.112 1.00 0.00 C ATOM 599 CD LYS A 41 -15.680 0.247 4.805 1.00 0.00 C ATOM 600 CE LYS A 41 -16.850 0.459 3.748 1.00 0.00 C ATOM 601 NZ LYS A 41 -16.344 1.228 2.581 1.00 0.00 N ATOM 0 H LYS A 41 -11.712 0.198 3.599 1.00 0.00 H new ATOM 0 HA LYS A 41 -11.502 -2.198 5.224 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -13.812 -1.655 5.890 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -12.988 -0.115 5.751 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -13.975 0.198 3.401 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -14.802 -1.340 3.544 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -16.040 -0.349 5.644 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -15.366 1.209 5.209 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -17.234 -0.507 3.419 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -17.680 0.991 4.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -17.094 1.305 1.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -16.061 2.180 2.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -15.523 0.738 2.172 1.00 0.00 H new ATOM 615 N ALA A 42 -12.514 -2.450 2.132 1.00 0.00 N ATOM 616 CA ALA A 42 -12.986 -3.364 1.041 1.00 0.00 C ATOM 617 C ALA A 42 -12.174 -4.664 1.069 1.00 0.00 C ATOM 618 O ALA A 42 -12.727 -5.759 0.837 1.00 0.00 O ATOM 619 CB ALA A 42 -12.845 -2.648 -0.347 1.00 0.00 C ATOM 0 H ALA A 42 -12.106 -1.580 1.791 1.00 0.00 H new ATOM 0 HA ALA A 42 -14.036 -3.609 1.198 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -13.189 -3.315 -1.137 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -13.448 -1.740 -0.351 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -11.800 -2.390 -0.519 1.00 0.00 H new ATOM 625 N ILE A 43 -10.876 -4.542 1.393 1.00 0.00 N ATOM 626 CA ILE A 43 -9.989 -5.711 1.507 1.00 0.00 C ATOM 627 C ILE A 43 -10.151 -6.239 2.949 1.00 0.00 C ATOM 628 O ILE A 43 -9.873 -5.512 3.916 1.00 0.00 O ATOM 629 CB ILE A 43 -8.477 -5.267 1.252 1.00 0.00 C ATOM 630 CG1 ILE A 43 -8.342 -4.646 -0.226 1.00 0.00 C ATOM 631 CG2 ILE A 43 -7.506 -6.537 1.396 1.00 0.00 C ATOM 632 CD1 ILE A 43 -6.960 -3.965 -0.449 1.00 0.00 C ATOM 0 H ILE A 43 -10.419 -3.649 1.580 1.00 0.00 H new ATOM 0 HA ILE A 43 -10.241 -6.478 0.775 1.00 0.00 H new ATOM 0 HB ILE A 43 -8.193 -4.515 1.988 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -8.481 -5.435 -0.965 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -9.136 -3.916 -0.386 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -6.475 -6.229 1.221 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -7.595 -6.951 2.400 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -7.787 -7.295 0.665 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -6.913 -3.560 -1.460 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -6.832 -3.158 0.272 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -6.166 -4.700 -0.315 1.00 0.00 H new ATOM 644 N GLU A 44 -10.613 -7.505 3.077 1.00 0.00 N ATOM 645 CA GLU A 44 -10.817 -8.146 4.389 1.00 0.00 C ATOM 646 C GLU A 44 -9.450 -8.474 5.040 1.00 0.00 C ATOM 647 O GLU A 44 -9.250 -8.276 6.252 1.00 0.00 O ATOM 648 CB GLU A 44 -11.659 -9.470 4.167 1.00 0.00 C ATOM 649 CG GLU A 44 -12.022 -10.181 5.548 1.00 0.00 C ATOM 650 CD GLU A 44 -12.894 -11.441 5.304 1.00 0.00 C ATOM 651 OE1 GLU A 44 -13.914 -11.314 4.644 1.00 0.00 O ATOM 652 OE2 GLU A 44 -12.523 -12.505 5.783 1.00 0.00 O ATOM 0 H GLU A 44 -10.851 -8.100 2.283 1.00 0.00 H new ATOM 0 HA GLU A 44 -11.354 -7.474 5.058 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -12.577 -9.231 3.629 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -11.093 -10.160 3.541 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -11.107 -10.461 6.070 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -12.556 -9.483 6.193 1.00 0.00 H new ATOM 659 N LYS A 45 -8.531 -9.030 4.200 1.00 0.00 N ATOM 660 CA LYS A 45 -7.188 -9.462 4.655 1.00 0.00 C ATOM 661 C LYS A 45 -6.222 -8.265 4.751 1.00 0.00 C ATOM 662 O LYS A 45 -5.721 -7.763 3.739 1.00 0.00 O ATOM 663 CB LYS A 45 -6.588 -10.541 3.656 1.00 0.00 C ATOM 664 CG LYS A 45 -7.487 -11.862 3.630 1.00 0.00 C ATOM 665 CD LYS A 45 -6.901 -12.954 2.605 1.00 0.00 C ATOM 666 CE LYS A 45 -5.591 -13.640 3.158 1.00 0.00 C ATOM 667 NZ LYS A 45 -5.145 -14.684 2.185 1.00 0.00 N ATOM 0 H LYS A 45 -8.701 -9.187 3.207 1.00 0.00 H new ATOM 0 HA LYS A 45 -7.300 -9.903 5.646 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -6.527 -10.119 2.653 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -5.572 -10.795 3.957 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -7.535 -12.290 4.631 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -8.507 -11.604 3.344 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -7.657 -13.716 2.415 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -6.684 -12.475 1.650 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -4.807 -12.896 3.299 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -5.783 -14.090 4.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -4.282 -15.143 2.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -5.894 -15.396 2.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -4.948 -14.240 1.265 1.00 0.00 H new ATOM 681 N MET A 46 -5.937 -7.867 5.993 1.00 0.00 N ATOM 682 CA MET A 46 -5.003 -6.769 6.312 1.00 0.00 C ATOM 683 C MET A 46 -3.549 -7.154 5.911 1.00 0.00 C ATOM 684 O MET A 46 -2.716 -6.287 5.624 1.00 0.00 O ATOM 685 CB MET A 46 -5.133 -6.446 7.858 1.00 0.00 C ATOM 686 CG MET A 46 -4.840 -7.737 8.745 1.00 0.00 C ATOM 687 SD MET A 46 -5.025 -7.338 10.527 1.00 0.00 S ATOM 688 CE MET A 46 -3.367 -6.658 10.894 1.00 0.00 C ATOM 0 H MET A 46 -6.350 -8.299 6.820 1.00 0.00 H new ATOM 0 HA MET A 46 -5.252 -5.874 5.742 1.00 0.00 H new ATOM 0 HB2 MET A 46 -4.436 -5.652 8.126 1.00 0.00 H new ATOM 0 HB3 MET A 46 -6.136 -6.075 8.071 1.00 0.00 H new ATOM 0 HG2 MET A 46 -5.526 -8.538 8.471 1.00 0.00 H new ATOM 0 HG3 MET A 46 -3.831 -8.100 8.549 1.00 0.00 H new ATOM 0 HE1 MET A 46 -3.317 -6.367 11.943 1.00 0.00 H new ATOM 0 HE2 MET A 46 -2.610 -7.416 10.691 1.00 0.00 H new ATOM 0 HE3 MET A 46 -3.185 -5.786 10.267 1.00 0.00 H new ATOM 698 N LYS A 47 -3.287 -8.480 5.902 1.00 0.00 N ATOM 699 CA LYS A 47 -1.965 -9.054 5.539 1.00 0.00 C ATOM 700 C LYS A 47 -1.606 -8.725 4.081 1.00 0.00 C ATOM 701 O LYS A 47 -0.438 -8.430 3.765 1.00 0.00 O ATOM 702 CB LYS A 47 -2.020 -10.629 5.740 1.00 0.00 C ATOM 703 CG LYS A 47 -2.235 -11.041 7.271 1.00 0.00 C ATOM 704 CD LYS A 47 -0.948 -10.682 8.154 1.00 0.00 C ATOM 705 CE LYS A 47 -1.156 -11.070 9.658 1.00 0.00 C ATOM 706 NZ LYS A 47 0.093 -10.735 10.415 1.00 0.00 N ATOM 0 H LYS A 47 -3.983 -9.185 6.145 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.198 -8.620 6.181 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.830 -11.041 5.138 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -1.094 -11.072 5.374 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.108 -10.525 7.670 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -2.438 -12.110 7.338 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -0.077 -11.206 7.759 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -0.740 -9.615 8.078 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -2.007 -10.530 10.074 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -1.379 -12.133 9.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -0.030 -10.987 11.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 0.893 -11.269 10.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 0.284 -9.716 10.336 1.00 0.00 H new ATOM 720 N ASP A 48 -2.622 -8.780 3.191 1.00 0.00 N ATOM 721 CA ASP A 48 -2.423 -8.489 1.754 1.00 0.00 C ATOM 722 C ASP A 48 -2.024 -7.005 1.574 1.00 0.00 C ATOM 723 O ASP A 48 -1.186 -6.683 0.727 1.00 0.00 O ATOM 724 CB ASP A 48 -3.736 -8.813 0.962 1.00 0.00 C ATOM 725 CG ASP A 48 -3.566 -8.529 -0.550 1.00 0.00 C ATOM 726 OD1 ASP A 48 -2.742 -9.186 -1.162 1.00 0.00 O ATOM 727 OD2 ASP A 48 -4.245 -7.645 -1.061 1.00 0.00 O ATOM 0 H ASP A 48 -3.581 -9.021 3.440 1.00 0.00 H new ATOM 0 HA ASP A 48 -1.620 -9.113 1.361 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -4.003 -9.859 1.110 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -4.558 -8.215 1.356 1.00 0.00 H new ATOM 732 N ARG A 49 -2.631 -6.104 2.397 1.00 0.00 N ATOM 733 CA ARG A 49 -2.307 -4.650 2.310 1.00 0.00 C ATOM 734 C ARG A 49 -0.838 -4.410 2.734 1.00 0.00 C ATOM 735 O ARG A 49 -0.126 -3.606 2.114 1.00 0.00 O ATOM 736 CB ARG A 49 -3.266 -3.773 3.216 1.00 0.00 C ATOM 737 CG ARG A 49 -4.753 -3.765 2.662 1.00 0.00 C ATOM 738 CD ARG A 49 -5.609 -2.634 3.363 1.00 0.00 C ATOM 739 NE ARG A 49 -5.679 -2.855 4.827 1.00 0.00 N ATOM 740 CZ ARG A 49 -6.610 -3.639 5.426 1.00 0.00 C ATOM 741 NH1 ARG A 49 -7.499 -4.308 4.721 1.00 0.00 N ATOM 742 NH2 ARG A 49 -6.590 -3.774 6.715 1.00 0.00 N ATOM 0 H ARG A 49 -3.324 -6.346 3.105 1.00 0.00 H new ATOM 0 HA ARG A 49 -2.452 -4.345 1.274 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -3.259 -4.161 4.235 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -2.889 -2.751 3.262 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -4.743 -3.604 1.584 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -5.215 -4.737 2.835 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -5.167 -1.659 3.159 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -6.615 -2.622 2.944 1.00 0.00 H new ATOM 0 HE ARG A 49 -4.988 -2.391 5.417 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -7.497 -4.243 3.703 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -8.190 -4.891 5.193 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -5.880 -3.293 7.267 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -7.285 -4.361 7.177 1.00 0.00 H new ATOM 756 N GLU A 50 -0.396 -5.124 3.812 1.00 0.00 N ATOM 757 CA GLU A 50 0.991 -4.991 4.326 1.00 0.00 C ATOM 758 C GLU A 50 1.993 -5.508 3.251 1.00 0.00 C ATOM 759 O GLU A 50 3.046 -4.898 3.013 1.00 0.00 O ATOM 760 CB GLU A 50 1.145 -5.803 5.681 1.00 0.00 C ATOM 761 CG GLU A 50 2.584 -5.558 6.337 1.00 0.00 C ATOM 762 CD GLU A 50 2.740 -6.330 7.664 1.00 0.00 C ATOM 763 OE1 GLU A 50 2.440 -7.513 7.679 1.00 0.00 O ATOM 764 OE2 GLU A 50 3.172 -5.724 8.636 1.00 0.00 O ATOM 0 H GLU A 50 -0.974 -5.786 4.330 1.00 0.00 H new ATOM 0 HA GLU A 50 1.209 -3.943 4.531 1.00 0.00 H new ATOM 0 HB2 GLU A 50 0.366 -5.500 6.381 1.00 0.00 H new ATOM 0 HB3 GLU A 50 1.005 -6.867 5.489 1.00 0.00 H new ATOM 0 HG2 GLU A 50 3.361 -5.871 5.639 1.00 0.00 H new ATOM 0 HG3 GLU A 50 2.727 -4.492 6.516 1.00 0.00 H new ATOM 771 N ALA A 51 1.649 -6.657 2.617 1.00 0.00 N ATOM 772 CA ALA A 51 2.506 -7.275 1.564 1.00 0.00 C ATOM 773 C ALA A 51 2.698 -6.294 0.369 1.00 0.00 C ATOM 774 O ALA A 51 3.819 -6.081 -0.099 1.00 0.00 O ATOM 775 CB ALA A 51 1.821 -8.597 1.066 1.00 0.00 C ATOM 0 H ALA A 51 0.792 -7.174 2.812 1.00 0.00 H new ATOM 0 HA ALA A 51 3.487 -7.498 1.982 1.00 0.00 H new ATOM 0 HB1 ALA A 51 2.438 -9.059 0.295 1.00 0.00 H new ATOM 0 HB2 ALA A 51 1.709 -9.286 1.903 1.00 0.00 H new ATOM 0 HB3 ALA A 51 0.839 -8.365 0.654 1.00 0.00 H new ATOM 781 N LEU A 52 1.566 -5.696 -0.088 1.00 0.00 N ATOM 782 CA LEU A 52 1.553 -4.714 -1.217 1.00 0.00 C ATOM 783 C LEU A 52 2.353 -3.459 -0.853 1.00 0.00 C ATOM 784 O LEU A 52 3.115 -2.948 -1.668 1.00 0.00 O ATOM 785 CB LEU A 52 0.051 -4.336 -1.535 1.00 0.00 C ATOM 786 CG LEU A 52 -0.740 -5.562 -2.226 1.00 0.00 C ATOM 787 CD1 LEU A 52 -2.302 -5.314 -2.173 1.00 0.00 C ATOM 788 CD2 LEU A 52 -0.281 -5.728 -3.739 1.00 0.00 C ATOM 0 H LEU A 52 0.643 -5.875 0.308 1.00 0.00 H new ATOM 0 HA LEU A 52 2.019 -5.160 -2.096 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.455 -4.050 -0.613 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.026 -3.469 -2.195 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.506 -6.473 -1.676 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -2.819 -6.150 -2.643 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.622 -5.227 -1.135 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.542 -4.393 -2.705 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.821 -6.558 -4.194 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -0.496 -4.811 -4.287 1.00 0.00 H new ATOM 0 HD23 LEU A 52 0.790 -5.929 -3.774 1.00 0.00 H new ATOM 800 N PHE A 53 2.173 -2.982 0.389 1.00 0.00 N ATOM 801 CA PHE A 53 2.894 -1.784 0.887 1.00 0.00 C ATOM 802 C PHE A 53 4.424 -2.015 0.831 1.00 0.00 C ATOM 803 O PHE A 53 5.173 -1.168 0.342 1.00 0.00 O ATOM 804 CB PHE A 53 2.446 -1.507 2.363 1.00 0.00 C ATOM 805 CG PHE A 53 3.435 -0.483 3.022 1.00 0.00 C ATOM 806 CD1 PHE A 53 3.401 0.873 2.647 1.00 0.00 C ATOM 807 CD2 PHE A 53 4.430 -0.926 3.952 1.00 0.00 C ATOM 808 CE1 PHE A 53 4.327 1.772 3.195 1.00 0.00 C ATOM 809 CE2 PHE A 53 5.349 -0.022 4.479 1.00 0.00 C ATOM 810 CZ PHE A 53 5.298 1.324 4.105 1.00 0.00 C ATOM 0 H PHE A 53 1.539 -3.401 1.069 1.00 0.00 H new ATOM 0 HA PHE A 53 2.656 -0.925 0.259 1.00 0.00 H new ATOM 0 HB2 PHE A 53 1.431 -1.111 2.379 1.00 0.00 H new ATOM 0 HB3 PHE A 53 2.434 -2.437 2.932 1.00 0.00 H new ATOM 0 HD1 PHE A 53 2.663 1.220 1.939 1.00 0.00 H new ATOM 0 HD2 PHE A 53 4.468 -1.965 4.246 1.00 0.00 H new ATOM 0 HE1 PHE A 53 4.293 2.815 2.916 1.00 0.00 H new ATOM 0 HE2 PHE A 53 6.101 -0.361 5.176 1.00 0.00 H new ATOM 0 HZ PHE A 53 6.010 2.023 4.518 1.00 0.00 H new ATOM 820 N ASN A 54 4.867 -3.179 1.349 1.00 0.00 N ATOM 821 CA ASN A 54 6.317 -3.529 1.371 1.00 0.00 C ATOM 822 C ASN A 54 6.850 -3.629 -0.078 1.00 0.00 C ATOM 823 O ASN A 54 7.959 -3.160 -0.382 1.00 0.00 O ATOM 824 CB ASN A 54 6.509 -4.907 2.102 1.00 0.00 C ATOM 825 CG ASN A 54 6.166 -4.802 3.606 1.00 0.00 C ATOM 826 OD1 ASN A 54 6.484 -3.804 4.257 1.00 0.00 O ATOM 827 ND2 ASN A 54 5.545 -5.791 4.196 1.00 0.00 N ATOM 0 H ASN A 54 4.257 -3.889 1.754 1.00 0.00 H new ATOM 0 HA ASN A 54 6.870 -2.755 1.903 1.00 0.00 H new ATOM 0 HB2 ASN A 54 5.874 -5.660 1.634 1.00 0.00 H new ATOM 0 HB3 ASN A 54 7.540 -5.242 1.985 1.00 0.00 H new ATOM 0 HD21 ASN A 54 5.326 -5.735 5.191 1.00 0.00 H new ATOM 0 HD22 ASN A 54 5.280 -6.618 3.661 1.00 0.00 H new ATOM 834 N GLU A 55 6.028 -4.256 -0.965 1.00 0.00 N ATOM 835 CA GLU A 55 6.393 -4.435 -2.399 1.00 0.00 C ATOM 836 C GLU A 55 6.384 -3.080 -3.133 1.00 0.00 C ATOM 837 O GLU A 55 7.238 -2.820 -3.985 1.00 0.00 O ATOM 838 CB GLU A 55 5.387 -5.453 -3.118 1.00 0.00 C ATOM 839 CG GLU A 55 6.123 -6.325 -4.232 1.00 0.00 C ATOM 840 CD GLU A 55 6.758 -5.421 -5.313 1.00 0.00 C ATOM 841 OE1 GLU A 55 6.022 -4.664 -5.922 1.00 0.00 O ATOM 842 OE2 GLU A 55 7.965 -5.501 -5.507 1.00 0.00 O ATOM 0 H GLU A 55 5.118 -4.642 -0.716 1.00 0.00 H new ATOM 0 HA GLU A 55 7.399 -4.852 -2.441 1.00 0.00 H new ATOM 0 HB2 GLU A 55 4.944 -6.114 -2.373 1.00 0.00 H new ATOM 0 HB3 GLU A 55 4.570 -4.895 -3.575 1.00 0.00 H new ATOM 0 HG2 GLU A 55 6.894 -6.939 -3.767 1.00 0.00 H new ATOM 0 HG3 GLU A 55 5.410 -7.006 -4.696 1.00 0.00 H new ATOM 849 N PHE A 56 5.371 -2.227 -2.806 1.00 0.00 N ATOM 850 CA PHE A 56 5.208 -0.902 -3.455 1.00 0.00 C ATOM 851 C PHE A 56 6.444 -0.005 -3.172 1.00 0.00 C ATOM 852 O PHE A 56 7.004 0.589 -4.085 1.00 0.00 O ATOM 853 CB PHE A 56 3.901 -0.205 -2.907 1.00 0.00 C ATOM 854 CG PHE A 56 3.744 1.207 -3.586 1.00 0.00 C ATOM 855 CD1 PHE A 56 3.267 1.295 -4.917 1.00 0.00 C ATOM 856 CD2 PHE A 56 4.140 2.401 -2.907 1.00 0.00 C ATOM 857 CE1 PHE A 56 3.166 2.539 -5.550 1.00 0.00 C ATOM 858 CE2 PHE A 56 4.044 3.640 -3.555 1.00 0.00 C ATOM 859 CZ PHE A 56 3.561 3.710 -4.877 1.00 0.00 C ATOM 0 H PHE A 56 4.663 -2.435 -2.102 1.00 0.00 H new ATOM 0 HA PHE A 56 5.121 -1.043 -4.532 1.00 0.00 H new ATOM 0 HB2 PHE A 56 3.029 -0.823 -3.119 1.00 0.00 H new ATOM 0 HB3 PHE A 56 3.959 -0.097 -1.824 1.00 0.00 H new ATOM 0 HD1 PHE A 56 2.980 0.398 -5.446 1.00 0.00 H new ATOM 0 HD2 PHE A 56 4.513 2.348 -1.895 1.00 0.00 H new ATOM 0 HE1 PHE A 56 2.784 2.601 -6.558 1.00 0.00 H new ATOM 0 HE2 PHE A 56 4.341 4.542 -3.041 1.00 0.00 H new ATOM 0 HZ PHE A 56 3.494 4.666 -5.375 1.00 0.00 H new ATOM 869 N VAL A 57 6.851 0.071 -1.878 1.00 0.00 N ATOM 870 CA VAL A 57 8.029 0.891 -1.460 1.00 0.00 C ATOM 871 C VAL A 57 9.317 0.331 -2.096 1.00 0.00 C ATOM 872 O VAL A 57 10.155 1.093 -2.599 1.00 0.00 O ATOM 873 CB VAL A 57 8.143 0.870 0.137 1.00 0.00 C ATOM 874 CG1 VAL A 57 9.505 1.541 0.643 1.00 0.00 C ATOM 875 CG2 VAL A 57 6.906 1.640 0.778 1.00 0.00 C ATOM 0 H VAL A 57 6.390 -0.418 -1.111 1.00 0.00 H new ATOM 0 HA VAL A 57 7.897 1.918 -1.799 1.00 0.00 H new ATOM 0 HB VAL A 57 8.140 -0.173 0.454 1.00 0.00 H new ATOM 0 HG11 VAL A 57 9.545 1.507 1.732 1.00 0.00 H new ATOM 0 HG12 VAL A 57 10.354 0.995 0.232 1.00 0.00 H new ATOM 0 HG13 VAL A 57 9.545 2.578 0.310 1.00 0.00 H new ATOM 0 HG21 VAL A 57 6.990 1.622 1.865 1.00 0.00 H new ATOM 0 HG22 VAL A 57 6.902 2.673 0.431 1.00 0.00 H new ATOM 0 HG23 VAL A 57 5.979 1.153 0.477 1.00 0.00 H new ATOM 885 N ALA A 58 9.471 -1.019 -2.048 1.00 0.00 N ATOM 886 CA ALA A 58 10.674 -1.697 -2.603 1.00 0.00 C ATOM 887 C ALA A 58 10.743 -1.510 -4.144 1.00 0.00 C ATOM 888 O ALA A 58 11.823 -1.276 -4.706 1.00 0.00 O ATOM 889 CB ALA A 58 10.621 -3.224 -2.229 1.00 0.00 C ATOM 0 H ALA A 58 8.786 -1.653 -1.636 1.00 0.00 H new ATOM 0 HA ALA A 58 11.572 -1.252 -2.174 1.00 0.00 H new ATOM 0 HB1 ALA A 58 11.499 -3.728 -2.632 1.00 0.00 H new ATOM 0 HB2 ALA A 58 10.606 -3.333 -1.145 1.00 0.00 H new ATOM 0 HB3 ALA A 58 9.721 -3.671 -2.651 1.00 0.00 H new ATOM 895 N ALA A 59 9.561 -1.603 -4.811 1.00 0.00 N ATOM 896 CA ALA A 59 9.456 -1.429 -6.288 1.00 0.00 C ATOM 897 C ALA A 59 9.594 0.068 -6.692 1.00 0.00 C ATOM 898 O ALA A 59 10.261 0.397 -7.684 1.00 0.00 O ATOM 899 CB ALA A 59 8.063 -1.976 -6.752 1.00 0.00 C ATOM 0 H ALA A 59 8.671 -1.797 -4.353 1.00 0.00 H new ATOM 0 HA ALA A 59 10.265 -1.978 -6.770 1.00 0.00 H new ATOM 0 HB1 ALA A 59 7.967 -1.857 -7.831 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.983 -3.032 -6.494 1.00 0.00 H new ATOM 0 HB3 ALA A 59 7.269 -1.419 -6.254 1.00 0.00 H new ATOM 905 N ALA A 60 8.922 0.968 -5.912 1.00 0.00 N ATOM 906 CA ALA A 60 8.938 2.437 -6.190 1.00 0.00 C ATOM 907 C ALA A 60 10.346 3.021 -5.959 1.00 0.00 C ATOM 908 O ALA A 60 10.828 3.844 -6.757 1.00 0.00 O ATOM 909 CB ALA A 60 7.910 3.159 -5.239 1.00 0.00 C ATOM 0 H ALA A 60 8.369 0.705 -5.096 1.00 0.00 H new ATOM 0 HA ALA A 60 8.661 2.598 -7.232 1.00 0.00 H new ATOM 0 HB1 ALA A 60 7.919 4.230 -5.439 1.00 0.00 H new ATOM 0 HB2 ALA A 60 6.910 2.765 -5.418 1.00 0.00 H new ATOM 0 HB3 ALA A 60 8.189 2.982 -4.200 1.00 0.00 H new ATOM 915 N ARG A 61 11.007 2.588 -4.842 1.00 0.00 N ATOM 916 CA ARG A 61 12.374 3.076 -4.513 1.00 0.00 C ATOM 917 C ARG A 61 13.403 2.486 -5.477 1.00 0.00 C ATOM 918 O ARG A 61 14.300 3.188 -5.974 1.00 0.00 O ATOM 919 CB ARG A 61 12.740 2.681 -3.031 1.00 0.00 C ATOM 920 CG ARG A 61 14.185 3.242 -2.621 1.00 0.00 C ATOM 921 CD ARG A 61 14.513 2.887 -1.142 1.00 0.00 C ATOM 922 NE ARG A 61 13.558 3.594 -0.261 1.00 0.00 N ATOM 923 CZ ARG A 61 13.563 3.464 1.076 1.00 0.00 C ATOM 924 NH1 ARG A 61 14.434 2.677 1.663 1.00 0.00 N ATOM 925 NH2 ARG A 61 12.692 4.114 1.782 1.00 0.00 N ATOM 0 H ARG A 61 10.623 1.920 -4.174 1.00 0.00 H new ATOM 0 HA ARG A 61 12.389 4.161 -4.612 1.00 0.00 H new ATOM 0 HB2 ARG A 61 11.987 3.077 -2.350 1.00 0.00 H new ATOM 0 HB3 ARG A 61 12.725 1.596 -2.927 1.00 0.00 H new ATOM 0 HG2 ARG A 61 14.945 2.820 -3.279 1.00 0.00 H new ATOM 0 HG3 ARG A 61 14.212 4.323 -2.755 1.00 0.00 H new ATOM 0 HD2 ARG A 61 14.443 1.810 -0.988 1.00 0.00 H new ATOM 0 HD3 ARG A 61 15.536 3.178 -0.901 1.00 0.00 H new ATOM 0 HE ARG A 61 12.864 4.208 -0.688 1.00 0.00 H new ATOM 0 HH11 ARG A 61 15.112 2.160 1.104 1.00 0.00 H new ATOM 0 HH12 ARG A 61 14.433 2.583 2.679 1.00 0.00 H new ATOM 0 HH21 ARG A 61 12.011 4.718 1.322 1.00 0.00 H new ATOM 0 HH22 ARG A 61 12.688 4.022 2.798 1.00 0.00 H new TER 939 ARG A 61