USER MOD reduce.3.24.130724 H: found=0, std=0, add=585, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 580 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 8 GLN : amide:sc= -0.133 K(o=-0.066,f=-3.7!) USER MOD Set 1.2: A 53 LYS NZ :NH3+ -145:sc= 0.0678 (180deg=0.0165) USER MOD Set 2.1: A 48 LYS NZ :NH3+ -130:sc= 0.308 (180deg=-1.41) USER MOD Set 2.2: A 63 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 20 SER OG : rot -92:sc= 1.08 USER MOD Set 3.2: A 21 GLN : amide:sc= 0.942 K(o=2,f=-0.6) USER MOD Set 4.1: A 18 HIS : no HE2:sc= 0.146 K(o=1.5,f=0.5) USER MOD Set 4.2: A 22 THR OG1 : rot -52:sc= 1.31 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 161:sc= 1.58 (180deg=1.03) USER MOD Single : A 2 LYS NZ :NH3+ 164:sc= 0.253 (180deg=0.161) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -0.0626 X(o=-0.063,f=0) USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.0287 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 39 SER OG : rot 180:sc= 0.015 USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.161 4.727 -13.845 1.00 0.00 N ATOM 2 CA MET A 1 -4.492 4.376 -13.280 1.00 0.00 C ATOM 3 C MET A 1 -4.818 2.867 -13.530 1.00 0.00 C ATOM 4 O MET A 1 -5.273 2.478 -14.608 1.00 0.00 O ATOM 5 CB MET A 1 -5.587 5.320 -13.838 1.00 0.00 C ATOM 6 CG MET A 1 -5.604 6.723 -13.205 1.00 0.00 C ATOM 7 SD MET A 1 -4.137 7.669 -13.645 1.00 0.00 S ATOM 8 CE MET A 1 -4.247 8.980 -12.418 1.00 0.00 C ATOM 0 H1 MET A 1 -3.095 5.758 -13.963 1.00 0.00 H new ATOM 0 H2 MET A 1 -2.413 4.404 -13.198 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.043 4.264 -14.769 1.00 0.00 H new ATOM 0 HA MET A 1 -4.467 4.520 -12.200 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.447 5.422 -14.914 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.561 4.855 -13.687 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.495 7.259 -13.532 1.00 0.00 H new ATOM 0 HG3 MET A 1 -5.667 6.632 -12.121 1.00 0.00 H new ATOM 0 HE1 MET A 1 -3.409 9.666 -12.543 1.00 0.00 H new ATOM 0 HE2 MET A 1 -5.183 9.523 -12.548 1.00 0.00 H new ATOM 0 HE3 MET A 1 -4.215 8.546 -11.418 1.00 0.00 H new ATOM 19 N LYS A 2 -4.577 2.032 -12.513 1.00 0.00 N ATOM 20 CA LYS A 2 -4.797 0.558 -12.592 1.00 0.00 C ATOM 21 C LYS A 2 -6.208 0.106 -12.072 1.00 0.00 C ATOM 22 O LYS A 2 -6.967 0.880 -11.479 1.00 0.00 O ATOM 23 CB LYS A 2 -3.638 -0.103 -11.786 1.00 0.00 C ATOM 24 CG LYS A 2 -2.273 -0.102 -12.505 1.00 0.00 C ATOM 25 CD LYS A 2 -2.120 -1.245 -13.521 1.00 0.00 C ATOM 26 CE LYS A 2 -0.843 -1.080 -14.353 1.00 0.00 C ATOM 27 NZ LYS A 2 -0.578 -2.330 -15.092 1.00 0.00 N ATOM 0 H LYS A 2 -4.225 2.344 -11.608 1.00 0.00 H new ATOM 0 HA LYS A 2 -4.788 0.239 -13.634 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -3.533 0.417 -10.834 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -3.913 -1.133 -11.558 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -2.141 0.851 -13.018 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -1.479 -0.177 -11.762 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -2.095 -2.200 -12.997 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -2.987 -1.267 -14.181 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -0.954 -0.249 -15.049 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -0.000 -0.842 -13.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 0.110 -2.146 -15.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -0.193 -3.043 -14.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -1.464 -2.683 -15.507 1.00 0.00 H new ATOM 40 N ALA A 3 -6.558 -1.174 -12.285 1.00 0.00 N ATOM 41 CA ALA A 3 -7.850 -1.740 -11.817 1.00 0.00 C ATOM 42 C ALA A 3 -7.816 -2.247 -10.338 1.00 0.00 C ATOM 43 O ALA A 3 -7.398 -3.373 -10.048 1.00 0.00 O ATOM 44 CB ALA A 3 -8.222 -2.844 -12.819 1.00 0.00 C ATOM 0 H ALA A 3 -5.968 -1.843 -12.779 1.00 0.00 H new ATOM 0 HA ALA A 3 -8.613 -0.962 -11.792 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -9.168 -3.299 -12.525 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -8.321 -2.413 -13.815 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -7.441 -3.605 -12.829 1.00 0.00 H new ATOM 50 N LEU A 4 -8.264 -1.389 -9.414 1.00 0.00 N ATOM 51 CA LEU A 4 -8.186 -1.655 -7.957 1.00 0.00 C ATOM 52 C LEU A 4 -9.581 -2.072 -7.368 1.00 0.00 C ATOM 53 O LEU A 4 -10.561 -1.327 -7.440 1.00 0.00 O ATOM 54 CB LEU A 4 -7.666 -0.381 -7.227 1.00 0.00 C ATOM 55 CG LEU A 4 -6.139 -0.152 -7.246 1.00 0.00 C ATOM 56 CD1 LEU A 4 -5.565 0.251 -8.598 1.00 0.00 C ATOM 57 CD2 LEU A 4 -5.789 0.960 -6.242 1.00 0.00 C ATOM 0 H LEU A 4 -8.691 -0.492 -9.645 1.00 0.00 H new ATOM 0 HA LEU A 4 -7.497 -2.485 -7.800 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -8.147 0.489 -7.674 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -7.991 -0.426 -6.188 1.00 0.00 H new ATOM 0 HG LEU A 4 -5.698 -1.115 -6.990 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -4.487 0.389 -8.509 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -5.772 -0.531 -9.329 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -6.024 1.184 -8.925 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -4.712 1.130 -6.248 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -6.303 1.879 -6.524 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -6.104 0.660 -5.242 1.00 0.00 H new ATOM 69 N THR A 5 -9.638 -3.245 -6.725 1.00 0.00 N ATOM 70 CA THR A 5 -10.817 -3.660 -5.899 1.00 0.00 C ATOM 71 C THR A 5 -10.886 -2.916 -4.512 1.00 0.00 C ATOM 72 O THR A 5 -9.897 -2.337 -4.064 1.00 0.00 O ATOM 73 CB THR A 5 -10.833 -5.212 -5.696 1.00 0.00 C ATOM 74 OG1 THR A 5 -9.637 -5.690 -5.088 1.00 0.00 O ATOM 75 CG2 THR A 5 -11.027 -6.013 -6.981 1.00 0.00 C ATOM 0 H THR A 5 -8.888 -3.936 -6.751 1.00 0.00 H new ATOM 0 HA THR A 5 -11.707 -3.366 -6.456 1.00 0.00 H new ATOM 0 HB THR A 5 -11.695 -5.368 -5.047 1.00 0.00 H new ATOM 0 HG1 THR A 5 -9.691 -6.662 -4.979 1.00 0.00 H new ATOM 0 HG21 THR A 5 -11.026 -7.078 -6.750 1.00 0.00 H new ATOM 0 HG22 THR A 5 -11.979 -5.742 -7.438 1.00 0.00 H new ATOM 0 HG23 THR A 5 -10.215 -5.791 -7.674 1.00 0.00 H new ATOM 83 N ALA A 6 -12.050 -2.924 -3.837 1.00 0.00 N ATOM 84 CA ALA A 6 -12.305 -2.067 -2.638 1.00 0.00 C ATOM 85 C ALA A 6 -11.240 -2.018 -1.490 1.00 0.00 C ATOM 86 O ALA A 6 -10.748 -0.929 -1.188 1.00 0.00 O ATOM 87 CB ALA A 6 -13.705 -2.438 -2.124 1.00 0.00 C ATOM 0 H ALA A 6 -12.841 -3.515 -4.095 1.00 0.00 H new ATOM 0 HA ALA A 6 -12.225 -1.038 -2.987 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -13.941 -1.838 -1.245 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -14.442 -2.245 -2.904 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -13.727 -3.495 -1.858 1.00 0.00 H new ATOM 93 N ARG A 7 -10.837 -3.159 -0.906 1.00 0.00 N ATOM 94 CA ARG A 7 -9.690 -3.195 0.053 1.00 0.00 C ATOM 95 C ARG A 7 -8.264 -2.909 -0.541 1.00 0.00 C ATOM 96 O ARG A 7 -7.442 -2.339 0.177 1.00 0.00 O ATOM 97 CB ARG A 7 -9.724 -4.509 0.876 1.00 0.00 C ATOM 98 CG ARG A 7 -10.659 -4.448 2.107 1.00 0.00 C ATOM 99 CD ARG A 7 -9.993 -3.814 3.342 1.00 0.00 C ATOM 100 NE ARG A 7 -11.021 -3.637 4.394 1.00 0.00 N ATOM 101 CZ ARG A 7 -10.794 -3.278 5.648 1.00 0.00 C ATOM 102 NH1 ARG A 7 -9.625 -3.014 6.145 1.00 0.00 N ATOM 103 NH2 ARG A 7 -11.809 -3.171 6.433 1.00 0.00 N ATOM 0 H ARG A 7 -11.275 -4.066 -1.070 1.00 0.00 H new ATOM 0 HA ARG A 7 -9.849 -2.337 0.707 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -10.044 -5.325 0.228 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -8.713 -4.744 1.210 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -11.551 -3.877 1.850 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -10.987 -5.457 2.357 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -9.186 -4.450 3.705 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -9.549 -2.853 3.081 1.00 0.00 H new ATOM 0 HE ARG A 7 -11.991 -3.807 4.128 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -8.794 -3.077 5.556 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -9.536 -2.744 7.125 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -12.748 -3.361 6.082 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -11.674 -2.897 7.406 1.00 0.00 H new ATOM 116 N GLN A 8 -7.979 -3.232 -1.811 1.00 0.00 N ATOM 117 CA GLN A 8 -6.782 -2.697 -2.524 1.00 0.00 C ATOM 118 C GLN A 8 -6.769 -1.127 -2.728 1.00 0.00 C ATOM 119 O GLN A 8 -5.732 -0.502 -2.511 1.00 0.00 O ATOM 120 CB GLN A 8 -6.636 -3.383 -3.905 1.00 0.00 C ATOM 121 CG GLN A 8 -6.580 -4.921 -3.946 1.00 0.00 C ATOM 122 CD GLN A 8 -5.377 -5.592 -3.313 1.00 0.00 C ATOM 123 OE1 GLN A 8 -4.844 -5.185 -2.291 1.00 0.00 O ATOM 124 NE2 GLN A 8 -4.901 -6.672 -3.872 1.00 0.00 N ATOM 0 H GLN A 8 -8.552 -3.859 -2.375 1.00 0.00 H new ATOM 0 HA GLN A 8 -5.940 -2.926 -1.871 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -7.472 -3.063 -4.527 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -5.727 -3.003 -4.372 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -7.476 -5.304 -3.457 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -6.629 -5.232 -4.989 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -5.326 -7.034 -4.725 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -4.104 -7.153 -3.455 1.00 0.00 H new ATOM 133 N GLN A 9 -7.907 -0.520 -3.097 1.00 0.00 N ATOM 134 CA GLN A 9 -8.111 0.955 -3.074 1.00 0.00 C ATOM 135 C GLN A 9 -7.933 1.640 -1.681 1.00 0.00 C ATOM 136 O GLN A 9 -7.191 2.618 -1.598 1.00 0.00 O ATOM 137 CB GLN A 9 -9.484 1.224 -3.734 1.00 0.00 C ATOM 138 CG GLN A 9 -9.775 2.694 -4.102 1.00 0.00 C ATOM 139 CD GLN A 9 -8.902 3.279 -5.200 1.00 0.00 C ATOM 140 OE1 GLN A 9 -8.975 2.899 -6.362 1.00 0.00 O ATOM 141 NE2 GLN A 9 -8.051 4.222 -4.892 1.00 0.00 N ATOM 0 H GLN A 9 -8.725 -1.034 -3.424 1.00 0.00 H new ATOM 0 HA GLN A 9 -7.310 1.431 -3.640 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -9.555 0.621 -4.640 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -10.265 0.877 -3.058 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -10.818 2.774 -4.410 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -9.660 3.304 -3.206 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -7.979 4.549 -3.929 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -7.459 4.631 -5.615 1.00 0.00 H new ATOM 150 N GLU A 10 -8.526 1.105 -0.601 1.00 0.00 N ATOM 151 CA GLU A 10 -8.179 1.486 0.799 1.00 0.00 C ATOM 152 C GLU A 10 -6.641 1.427 1.156 1.00 0.00 C ATOM 153 O GLU A 10 -6.099 2.416 1.649 1.00 0.00 O ATOM 154 CB GLU A 10 -8.973 0.560 1.763 1.00 0.00 C ATOM 155 CG GLU A 10 -10.505 0.728 1.751 1.00 0.00 C ATOM 156 CD GLU A 10 -11.254 -0.419 2.421 1.00 0.00 C ATOM 157 OE1 GLU A 10 -12.080 -1.117 1.843 1.00 0.00 O ATOM 158 OE2 GLU A 10 -10.880 -0.610 3.716 1.00 0.00 O ATOM 0 H GLU A 10 -9.258 0.398 -0.662 1.00 0.00 H new ATOM 0 HA GLU A 10 -8.451 2.536 0.908 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -8.739 -0.475 1.516 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -8.616 0.734 2.778 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -10.763 1.661 2.253 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -10.844 0.817 0.719 1.00 0.00 H new ATOM 166 N VAL A 11 -5.961 0.306 0.861 1.00 0.00 N ATOM 167 CA VAL A 11 -4.473 0.175 0.994 1.00 0.00 C ATOM 168 C VAL A 11 -3.664 1.208 0.134 1.00 0.00 C ATOM 169 O VAL A 11 -2.818 1.906 0.698 1.00 0.00 O ATOM 170 CB VAL A 11 -4.076 -1.323 0.760 1.00 0.00 C ATOM 171 CG1 VAL A 11 -2.557 -1.590 0.693 1.00 0.00 C ATOM 172 CG2 VAL A 11 -4.617 -2.246 1.885 1.00 0.00 C ATOM 0 H VAL A 11 -6.414 -0.543 0.523 1.00 0.00 H new ATOM 0 HA VAL A 11 -4.185 0.446 2.010 1.00 0.00 H new ATOM 0 HB VAL A 11 -4.522 -1.543 -0.210 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -2.381 -2.653 0.529 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -2.123 -1.019 -0.128 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -2.092 -1.286 1.631 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -4.320 -3.276 1.685 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -4.207 -1.930 2.844 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -5.705 -2.182 1.917 1.00 0.00 H new ATOM 182 N PHE A 12 -3.942 1.349 -1.174 1.00 0.00 N ATOM 183 CA PHE A 12 -3.374 2.444 -2.009 1.00 0.00 C ATOM 184 C PHE A 12 -3.632 3.897 -1.498 1.00 0.00 C ATOM 185 O PHE A 12 -2.664 4.643 -1.370 1.00 0.00 O ATOM 186 CB PHE A 12 -3.855 2.232 -3.466 1.00 0.00 C ATOM 187 CG PHE A 12 -3.234 3.200 -4.493 1.00 0.00 C ATOM 188 CD1 PHE A 12 -1.872 3.134 -4.831 1.00 0.00 C ATOM 189 CD2 PHE A 12 -4.017 4.218 -5.060 1.00 0.00 C ATOM 190 CE1 PHE A 12 -1.307 4.069 -5.700 1.00 0.00 C ATOM 191 CE2 PHE A 12 -3.452 5.150 -5.933 1.00 0.00 C ATOM 192 CZ PHE A 12 -2.096 5.079 -6.243 1.00 0.00 C ATOM 0 H PHE A 12 -4.559 0.719 -1.686 1.00 0.00 H new ATOM 0 HA PHE A 12 -2.289 2.370 -1.942 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -3.626 1.209 -3.765 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -4.939 2.338 -3.496 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -1.255 2.351 -4.414 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -5.068 4.281 -4.818 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -0.258 4.009 -5.951 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -4.066 5.925 -6.367 1.00 0.00 H new ATOM 0 HZ PHE A 12 -1.656 5.809 -6.906 1.00 0.00 H new ATOM 202 N ASP A 13 -4.877 4.293 -1.197 1.00 0.00 N ATOM 203 CA ASP A 13 -5.169 5.624 -0.598 1.00 0.00 C ATOM 204 C ASP A 13 -4.488 5.922 0.796 1.00 0.00 C ATOM 205 O ASP A 13 -4.088 7.064 1.019 1.00 0.00 O ATOM 206 CB ASP A 13 -6.689 5.857 -0.517 1.00 0.00 C ATOM 207 CG ASP A 13 -7.474 5.873 -1.823 1.00 0.00 C ATOM 208 OD1 ASP A 13 -8.558 5.314 -1.946 1.00 0.00 O ATOM 209 OD2 ASP A 13 -6.872 6.579 -2.826 1.00 0.00 O ATOM 0 H ASP A 13 -5.705 3.718 -1.355 1.00 0.00 H new ATOM 0 HA ASP A 13 -4.707 6.336 -1.282 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -7.114 5.081 0.120 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -6.856 6.809 -0.014 1.00 0.00 H new ATOM 215 N LEU A 14 -4.301 4.923 1.672 1.00 0.00 N ATOM 216 CA LEU A 14 -3.380 5.032 2.845 1.00 0.00 C ATOM 217 C LEU A 14 -1.874 5.252 2.472 1.00 0.00 C ATOM 218 O LEU A 14 -1.267 6.199 2.973 1.00 0.00 O ATOM 219 CB LEU A 14 -3.609 3.770 3.712 1.00 0.00 C ATOM 220 CG LEU A 14 -3.204 3.786 5.197 1.00 0.00 C ATOM 221 CD1 LEU A 14 -1.714 3.941 5.480 1.00 0.00 C ATOM 222 CD2 LEU A 14 -4.011 4.820 5.987 1.00 0.00 C ATOM 0 H LEU A 14 -4.772 4.021 1.601 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.619 5.937 3.404 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.671 3.531 3.666 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.076 2.946 3.237 1.00 0.00 H new ATOM 0 HG LEU A 14 -3.449 2.781 5.542 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.546 3.939 6.557 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.169 3.113 5.026 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.360 4.882 5.059 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.699 4.804 7.031 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.837 5.812 5.571 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.072 4.580 5.922 1.00 0.00 H new ATOM 234 N ILE A 15 -1.295 4.429 1.583 1.00 0.00 N ATOM 235 CA ILE A 15 0.087 4.637 1.028 1.00 0.00 C ATOM 236 C ILE A 15 0.296 6.047 0.348 1.00 0.00 C ATOM 237 O ILE A 15 1.220 6.772 0.712 1.00 0.00 O ATOM 238 CB ILE A 15 0.449 3.428 0.091 1.00 0.00 C ATOM 239 CG1 ILE A 15 0.507 2.063 0.847 1.00 0.00 C ATOM 240 CG2 ILE A 15 1.788 3.601 -0.664 1.00 0.00 C ATOM 241 CD1 ILE A 15 0.281 0.851 -0.065 1.00 0.00 C ATOM 0 H ILE A 15 -1.757 3.596 1.218 1.00 0.00 H new ATOM 0 HA ILE A 15 0.791 4.656 1.860 1.00 0.00 H new ATOM 0 HB ILE A 15 -0.369 3.420 -0.629 1.00 0.00 H new ATOM 0 HG12 ILE A 15 1.478 1.966 1.333 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -0.246 2.061 1.635 1.00 0.00 H new ATOM 0 HG21 ILE A 15 1.969 2.727 -1.290 1.00 0.00 H new ATOM 0 HG22 ILE A 15 1.740 4.492 -1.290 1.00 0.00 H new ATOM 0 HG23 ILE A 15 2.600 3.706 0.055 1.00 0.00 H new ATOM 0 HD11 ILE A 15 0.335 -0.064 0.525 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -0.701 0.925 -0.531 1.00 0.00 H new ATOM 0 HD13 ILE A 15 1.049 0.829 -0.838 1.00 0.00 H new ATOM 253 N ARG A 16 -0.586 6.411 -0.581 1.00 0.00 N ATOM 254 CA ARG A 16 -0.717 7.778 -1.157 1.00 0.00 C ATOM 255 C ARG A 16 -0.771 8.981 -0.157 1.00 0.00 C ATOM 256 O ARG A 16 -0.033 9.953 -0.328 1.00 0.00 O ATOM 257 CB ARG A 16 -2.013 7.662 -2.001 1.00 0.00 C ATOM 258 CG ARG A 16 -2.302 8.832 -2.940 1.00 0.00 C ATOM 259 CD ARG A 16 -3.477 8.537 -3.883 1.00 0.00 C ATOM 260 NE ARG A 16 -4.802 8.689 -3.229 1.00 0.00 N ATOM 261 CZ ARG A 16 -5.467 9.830 -3.089 1.00 0.00 C ATOM 262 NH1 ARG A 16 -5.015 10.993 -3.456 1.00 0.00 N ATOM 263 NH2 ARG A 16 -6.641 9.784 -2.557 1.00 0.00 N ATOM 0 H ARG A 16 -1.258 5.753 -0.976 1.00 0.00 H new ATOM 0 HA ARG A 16 0.185 8.036 -1.712 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -1.957 6.750 -2.595 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -2.858 7.549 -1.321 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -2.524 9.722 -2.352 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -1.412 9.053 -3.529 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -3.423 9.207 -4.741 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -3.382 7.521 -4.265 1.00 0.00 H new ATOM 0 HE ARG A 16 -5.238 7.846 -2.856 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -4.092 11.070 -3.883 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -5.584 11.828 -3.317 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -7.031 8.890 -2.259 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -7.179 10.642 -2.435 1.00 0.00 H new ATOM 276 N ASP A 17 -1.640 8.891 0.858 1.00 0.00 N ATOM 277 CA ASP A 17 -1.693 9.847 1.997 1.00 0.00 C ATOM 278 C ASP A 17 -0.414 9.895 2.910 1.00 0.00 C ATOM 279 O ASP A 17 0.043 10.988 3.247 1.00 0.00 O ATOM 280 CB ASP A 17 -2.977 9.479 2.782 1.00 0.00 C ATOM 281 CG ASP A 17 -3.385 10.473 3.846 1.00 0.00 C ATOM 282 OD1 ASP A 17 -3.123 10.333 5.036 1.00 0.00 O ATOM 283 OD2 ASP A 17 -4.053 11.540 3.323 1.00 0.00 O ATOM 0 H ASP A 17 -2.337 8.149 0.922 1.00 0.00 H new ATOM 0 HA ASP A 17 -1.717 10.866 1.611 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -3.799 9.370 2.074 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -2.831 8.507 3.252 1.00 0.00 H new ATOM 289 N HIS A 18 0.145 8.742 3.291 1.00 0.00 N ATOM 290 CA HIS A 18 1.444 8.665 4.016 1.00 0.00 C ATOM 291 C HIS A 18 2.690 9.212 3.224 1.00 0.00 C ATOM 292 O HIS A 18 3.485 9.945 3.811 1.00 0.00 O ATOM 293 CB HIS A 18 1.612 7.194 4.450 1.00 0.00 C ATOM 294 CG HIS A 18 2.498 6.991 5.685 1.00 0.00 C ATOM 295 ND1 HIS A 18 3.856 6.756 5.588 1.00 0.00 N ATOM 296 CD2 HIS A 18 2.089 6.940 7.038 1.00 0.00 C ATOM 297 CE1 HIS A 18 4.167 6.601 6.910 1.00 0.00 C ATOM 298 NE2 HIS A 18 3.177 6.688 7.848 1.00 0.00 N ATOM 0 H HIS A 18 -0.278 7.831 3.112 1.00 0.00 H new ATOM 0 HA HIS A 18 1.410 9.336 4.874 1.00 0.00 H new ATOM 0 HB2 HIS A 18 0.627 6.774 4.653 1.00 0.00 H new ATOM 0 HB3 HIS A 18 2.035 6.629 3.619 1.00 0.00 H new ATOM 0 HD1 HIS A 18 4.456 6.711 4.764 1.00 0.00 H new ATOM 0 HD2 HIS A 18 1.076 7.078 7.385 1.00 0.00 H new ATOM 0 HE1 HIS A 18 5.187 6.411 7.211 1.00 0.00 H new ATOM 306 N ILE A 19 2.812 8.937 1.916 1.00 0.00 N ATOM 307 CA ILE A 19 3.799 9.618 1.012 1.00 0.00 C ATOM 308 C ILE A 19 3.553 11.169 0.863 1.00 0.00 C ATOM 309 O ILE A 19 4.521 11.927 0.910 1.00 0.00 O ATOM 310 CB ILE A 19 3.863 8.863 -0.375 1.00 0.00 C ATOM 311 CG1 ILE A 19 4.443 7.426 -0.193 1.00 0.00 C ATOM 312 CG2 ILE A 19 4.734 9.595 -1.430 1.00 0.00 C ATOM 313 CD1 ILE A 19 4.238 6.496 -1.385 1.00 0.00 C ATOM 0 H ILE A 19 2.238 8.241 1.440 1.00 0.00 H new ATOM 0 HA ILE A 19 4.780 9.552 1.482 1.00 0.00 H new ATOM 0 HB ILE A 19 2.835 8.830 -0.737 1.00 0.00 H new ATOM 0 HG12 ILE A 19 5.511 7.504 0.009 1.00 0.00 H new ATOM 0 HG13 ILE A 19 3.984 6.973 0.686 1.00 0.00 H new ATOM 0 HG21 ILE A 19 4.736 9.025 -2.359 1.00 0.00 H new ATOM 0 HG22 ILE A 19 4.324 10.588 -1.615 1.00 0.00 H new ATOM 0 HG23 ILE A 19 5.755 9.687 -1.059 1.00 0.00 H new ATOM 0 HD11 ILE A 19 4.674 5.521 -1.165 1.00 0.00 H new ATOM 0 HD12 ILE A 19 3.171 6.381 -1.578 1.00 0.00 H new ATOM 0 HD13 ILE A 19 4.722 6.920 -2.265 1.00 0.00 H new ATOM 325 N SER A 20 2.302 11.630 0.700 1.00 0.00 N ATOM 326 CA SER A 20 1.956 13.081 0.742 1.00 0.00 C ATOM 327 C SER A 20 2.380 13.883 2.020 1.00 0.00 C ATOM 328 O SER A 20 2.911 14.986 1.880 1.00 0.00 O ATOM 329 CB SER A 20 0.428 13.169 0.476 1.00 0.00 C ATOM 330 OG SER A 20 -0.062 14.511 0.492 1.00 0.00 O ATOM 0 H SER A 20 1.500 11.022 0.536 1.00 0.00 H new ATOM 0 HA SER A 20 2.552 13.581 -0.021 1.00 0.00 H new ATOM 0 HB2 SER A 20 0.206 12.718 -0.491 1.00 0.00 H new ATOM 0 HB3 SER A 20 -0.101 12.585 1.229 1.00 0.00 H new ATOM 0 HG SER A 20 -0.371 14.736 1.395 1.00 0.00 H new ATOM 336 N GLN A 21 2.145 13.353 3.229 1.00 0.00 N ATOM 337 CA GLN A 21 2.522 14.039 4.492 1.00 0.00 C ATOM 338 C GLN A 21 3.936 13.672 5.074 1.00 0.00 C ATOM 339 O GLN A 21 4.615 14.570 5.573 1.00 0.00 O ATOM 340 CB GLN A 21 1.405 13.829 5.549 1.00 0.00 C ATOM 341 CG GLN A 21 0.158 14.721 5.348 1.00 0.00 C ATOM 342 CD GLN A 21 -0.855 14.276 4.309 1.00 0.00 C ATOM 343 OE1 GLN A 21 -0.845 14.690 3.155 1.00 0.00 O ATOM 344 NE2 GLN A 21 -1.789 13.441 4.680 1.00 0.00 N ATOM 0 H GLN A 21 1.694 12.449 3.368 1.00 0.00 H new ATOM 0 HA GLN A 21 2.616 15.094 4.236 1.00 0.00 H new ATOM 0 HB2 GLN A 21 1.096 12.784 5.530 1.00 0.00 H new ATOM 0 HB3 GLN A 21 1.818 14.021 6.539 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -0.355 14.804 6.306 1.00 0.00 H new ATOM 0 HG3 GLN A 21 0.498 15.721 5.081 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -1.808 13.090 5.637 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -2.499 13.141 4.012 1.00 0.00 H new ATOM 353 N THR A 22 4.350 12.398 5.058 1.00 0.00 N ATOM 354 CA THR A 22 5.691 11.969 5.559 1.00 0.00 C ATOM 355 C THR A 22 6.818 11.803 4.467 1.00 0.00 C ATOM 356 O THR A 22 7.990 12.000 4.793 1.00 0.00 O ATOM 357 CB THR A 22 5.641 10.641 6.401 1.00 0.00 C ATOM 358 OG1 THR A 22 5.432 9.483 5.598 1.00 0.00 O ATOM 359 CG2 THR A 22 4.611 10.596 7.522 1.00 0.00 C ATOM 0 H THR A 22 3.780 11.630 4.703 1.00 0.00 H new ATOM 0 HA THR A 22 5.966 12.816 6.188 1.00 0.00 H new ATOM 0 HB THR A 22 6.632 10.639 6.855 1.00 0.00 H new ATOM 0 HG1 THR A 22 4.648 9.619 5.026 1.00 0.00 H new ATOM 0 HG21 THR A 22 4.669 9.634 8.031 1.00 0.00 H new ATOM 0 HG22 THR A 22 4.813 11.396 8.234 1.00 0.00 H new ATOM 0 HG23 THR A 22 3.613 10.725 7.104 1.00 0.00 H new ATOM 367 N GLY A 23 6.480 11.375 3.240 1.00 0.00 N ATOM 368 CA GLY A 23 7.477 10.975 2.216 1.00 0.00 C ATOM 369 C GLY A 23 7.586 9.470 1.874 1.00 0.00 C ATOM 370 O GLY A 23 7.816 9.135 0.712 1.00 0.00 O ATOM 0 H GLY A 23 5.514 11.294 2.924 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.249 11.513 1.296 1.00 0.00 H new ATOM 0 HA3 GLY A 23 8.457 11.316 2.550 1.00 0.00 H new ATOM 374 N MET A 24 7.486 8.580 2.867 1.00 0.00 N ATOM 375 CA MET A 24 7.803 7.136 2.708 1.00 0.00 C ATOM 376 C MET A 24 6.599 6.185 2.386 1.00 0.00 C ATOM 377 O MET A 24 5.487 6.454 2.851 1.00 0.00 O ATOM 378 CB MET A 24 8.575 6.683 3.984 1.00 0.00 C ATOM 379 CG MET A 24 7.763 6.582 5.286 1.00 0.00 C ATOM 380 SD MET A 24 8.864 6.288 6.681 1.00 0.00 S ATOM 381 CE MET A 24 9.159 7.985 7.209 1.00 0.00 C ATOM 0 H MET A 24 7.184 8.830 3.809 1.00 0.00 H new ATOM 0 HA MET A 24 8.410 7.044 1.808 1.00 0.00 H new ATOM 0 HB2 MET A 24 9.019 5.708 3.784 1.00 0.00 H new ATOM 0 HB3 MET A 24 9.397 7.380 4.149 1.00 0.00 H new ATOM 0 HG2 MET A 24 7.200 7.502 5.445 1.00 0.00 H new ATOM 0 HG3 MET A 24 7.037 5.773 5.209 1.00 0.00 H new ATOM 0 HE1 MET A 24 9.827 7.987 8.071 1.00 0.00 H new ATOM 0 HE2 MET A 24 9.617 8.545 6.394 1.00 0.00 H new ATOM 0 HE3 MET A 24 8.212 8.451 7.483 1.00 0.00 H new ATOM 391 N PRO A 25 6.761 5.038 1.663 1.00 0.00 N ATOM 392 CA PRO A 25 5.678 4.007 1.543 1.00 0.00 C ATOM 393 C PRO A 25 5.491 3.138 2.836 1.00 0.00 C ATOM 394 O PRO A 25 6.454 2.471 3.229 1.00 0.00 O ATOM 395 CB PRO A 25 6.153 3.181 0.318 1.00 0.00 C ATOM 396 CG PRO A 25 7.690 3.307 0.335 1.00 0.00 C ATOM 397 CD PRO A 25 7.959 4.725 0.856 1.00 0.00 C ATOM 0 HA PRO A 25 4.686 4.442 1.418 1.00 0.00 H new ATOM 0 HB2 PRO A 25 5.840 2.140 0.397 1.00 0.00 H new ATOM 0 HB3 PRO A 25 5.734 3.571 -0.610 1.00 0.00 H new ATOM 0 HG2 PRO A 25 8.142 2.555 0.982 1.00 0.00 H new ATOM 0 HG3 PRO A 25 8.110 3.165 -0.661 1.00 0.00 H new ATOM 0 HD2 PRO A 25 8.868 4.765 1.457 1.00 0.00 H new ATOM 0 HD3 PRO A 25 8.087 5.434 0.038 1.00 0.00 H new ATOM 405 N PRO A 26 4.315 3.083 3.519 1.00 0.00 N ATOM 406 CA PRO A 26 4.187 2.378 4.839 1.00 0.00 C ATOM 407 C PRO A 26 4.154 0.826 4.805 1.00 0.00 C ATOM 408 O PRO A 26 3.785 0.185 3.819 1.00 0.00 O ATOM 409 CB PRO A 26 2.883 2.993 5.427 1.00 0.00 C ATOM 410 CG PRO A 26 2.081 3.464 4.201 1.00 0.00 C ATOM 411 CD PRO A 26 3.174 3.976 3.256 1.00 0.00 C ATOM 0 HA PRO A 26 5.081 2.534 5.443 1.00 0.00 H new ATOM 0 HB2 PRO A 26 2.325 2.257 6.006 1.00 0.00 H new ATOM 0 HB3 PRO A 26 3.105 3.824 6.097 1.00 0.00 H new ATOM 0 HG2 PRO A 26 1.509 2.650 3.755 1.00 0.00 H new ATOM 0 HG3 PRO A 26 1.370 4.249 4.460 1.00 0.00 H new ATOM 0 HD2 PRO A 26 2.858 3.924 2.214 1.00 0.00 H new ATOM 0 HD3 PRO A 26 3.425 5.017 3.462 1.00 0.00 H new ATOM 419 N THR A 27 4.535 0.238 5.945 1.00 0.00 N ATOM 420 CA THR A 27 4.555 -1.238 6.144 1.00 0.00 C ATOM 421 C THR A 27 3.208 -1.818 6.694 1.00 0.00 C ATOM 422 O THR A 27 2.256 -1.096 7.007 1.00 0.00 O ATOM 423 CB THR A 27 5.823 -1.588 6.993 1.00 0.00 C ATOM 424 OG1 THR A 27 6.050 -2.996 7.008 1.00 0.00 O ATOM 425 CG2 THR A 27 5.829 -1.153 8.452 1.00 0.00 C ATOM 0 H THR A 27 4.841 0.763 6.764 1.00 0.00 H new ATOM 0 HA THR A 27 4.636 -1.741 5.181 1.00 0.00 H new ATOM 0 HB THR A 27 6.597 -1.016 6.482 1.00 0.00 H new ATOM 0 HG1 THR A 27 6.848 -3.193 7.542 1.00 0.00 H new ATOM 0 HG21 THR A 27 6.765 -1.459 8.919 1.00 0.00 H new ATOM 0 HG22 THR A 27 5.733 -0.069 8.509 1.00 0.00 H new ATOM 0 HG23 THR A 27 4.993 -1.619 8.974 1.00 0.00 H new ATOM 433 N ARG A 28 3.159 -3.149 6.828 1.00 0.00 N ATOM 434 CA ARG A 28 1.981 -3.900 7.342 1.00 0.00 C ATOM 435 C ARG A 28 1.280 -3.420 8.654 1.00 0.00 C ATOM 436 O ARG A 28 0.053 -3.353 8.676 1.00 0.00 O ATOM 437 CB ARG A 28 2.336 -5.410 7.368 1.00 0.00 C ATOM 438 CG ARG A 28 3.335 -5.867 8.444 1.00 0.00 C ATOM 439 CD ARG A 28 3.726 -7.341 8.303 1.00 0.00 C ATOM 440 NE ARG A 28 4.636 -7.674 9.422 1.00 0.00 N ATOM 441 CZ ARG A 28 5.234 -8.838 9.605 1.00 0.00 C ATOM 442 NH1 ARG A 28 5.119 -9.866 8.816 1.00 0.00 N ATOM 443 NH2 ARG A 28 5.988 -8.956 10.644 1.00 0.00 N ATOM 0 H ARG A 28 3.943 -3.754 6.582 1.00 0.00 H new ATOM 0 HA ARG A 28 1.186 -3.675 6.631 1.00 0.00 H new ATOM 0 HB2 ARG A 28 1.413 -5.974 7.500 1.00 0.00 H new ATOM 0 HB3 ARG A 28 2.739 -5.681 6.392 1.00 0.00 H new ATOM 0 HG2 ARG A 28 4.232 -5.251 8.386 1.00 0.00 H new ATOM 0 HG3 ARG A 28 2.900 -5.704 9.430 1.00 0.00 H new ATOM 0 HD2 ARG A 28 2.840 -7.976 8.328 1.00 0.00 H new ATOM 0 HD3 ARG A 28 4.217 -7.517 7.346 1.00 0.00 H new ATOM 0 HE ARG A 28 4.817 -6.943 10.110 1.00 0.00 H new ATOM 0 HH11 ARG A 28 4.532 -9.807 7.984 1.00 0.00 H new ATOM 0 HH12 ARG A 28 5.616 -10.731 9.030 1.00 0.00 H new ATOM 0 HH21 ARG A 28 6.102 -8.169 11.283 1.00 0.00 H new ATOM 0 HH22 ARG A 28 6.470 -9.836 10.827 1.00 0.00 H new ATOM 456 N ALA A 29 2.035 -3.073 9.709 1.00 0.00 N ATOM 457 CA ALA A 29 1.468 -2.465 10.940 1.00 0.00 C ATOM 458 C ALA A 29 0.873 -1.023 10.794 1.00 0.00 C ATOM 459 O ALA A 29 -0.209 -0.771 11.320 1.00 0.00 O ATOM 460 CB ALA A 29 2.567 -2.527 12.011 1.00 0.00 C ATOM 0 H ALA A 29 3.046 -3.201 9.741 1.00 0.00 H new ATOM 0 HA ALA A 29 0.586 -3.043 11.216 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.196 -2.090 12.938 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.847 -3.566 12.186 1.00 0.00 H new ATOM 0 HB3 ALA A 29 3.439 -1.969 11.670 1.00 0.00 H new ATOM 466 N GLU A 30 1.540 -0.117 10.061 1.00 0.00 N ATOM 467 CA GLU A 30 0.970 1.216 9.701 1.00 0.00 C ATOM 468 C GLU A 30 -0.348 1.162 8.840 1.00 0.00 C ATOM 469 O GLU A 30 -1.332 1.808 9.201 1.00 0.00 O ATOM 470 CB GLU A 30 2.067 2.040 8.967 1.00 0.00 C ATOM 471 CG GLU A 30 3.248 2.467 9.857 1.00 0.00 C ATOM 472 CD GLU A 30 4.384 3.160 9.121 1.00 0.00 C ATOM 473 OE1 GLU A 30 4.778 4.288 9.393 1.00 0.00 O ATOM 474 OE2 GLU A 30 4.974 2.358 8.191 1.00 0.00 O ATOM 0 H GLU A 30 2.481 -0.273 9.699 1.00 0.00 H new ATOM 0 HA GLU A 30 0.670 1.693 10.634 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.451 1.450 8.135 1.00 0.00 H new ATOM 0 HB3 GLU A 30 1.609 2.932 8.541 1.00 0.00 H new ATOM 0 HG2 GLU A 30 2.876 3.135 10.634 1.00 0.00 H new ATOM 0 HG3 GLU A 30 3.644 1.584 10.359 1.00 0.00 H new ATOM 482 N ILE A 31 -0.375 0.359 7.768 1.00 0.00 N ATOM 483 CA ILE A 31 -1.620 0.059 6.987 1.00 0.00 C ATOM 484 C ILE A 31 -2.736 -0.663 7.833 1.00 0.00 C ATOM 485 O ILE A 31 -3.899 -0.261 7.753 1.00 0.00 O ATOM 486 CB ILE A 31 -1.209 -0.714 5.680 1.00 0.00 C ATOM 487 CG1 ILE A 31 -0.346 0.184 4.731 1.00 0.00 C ATOM 488 CG2 ILE A 31 -2.410 -1.223 4.848 1.00 0.00 C ATOM 489 CD1 ILE A 31 0.530 -0.612 3.768 1.00 0.00 C ATOM 0 H ILE A 31 0.455 -0.109 7.404 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.099 0.996 6.703 1.00 0.00 H new ATOM 0 HB ILE A 31 -0.643 -1.571 6.045 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -1.008 0.832 4.156 1.00 0.00 H new ATOM 0 HG13 ILE A 31 0.289 0.832 5.335 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -2.045 -1.745 3.964 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -3.007 -1.906 5.452 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -3.025 -0.377 4.542 1.00 0.00 H new ATOM 0 HD11 ILE A 31 1.099 0.075 3.142 1.00 0.00 H new ATOM 0 HD12 ILE A 31 1.217 -1.240 4.335 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -0.100 -1.240 3.138 1.00 0.00 H new ATOM 501 N ALA A 32 -2.401 -1.690 8.635 1.00 0.00 N ATOM 502 CA ALA A 32 -3.361 -2.336 9.562 1.00 0.00 C ATOM 503 C ALA A 32 -3.983 -1.450 10.688 1.00 0.00 C ATOM 504 O ALA A 32 -5.205 -1.454 10.854 1.00 0.00 O ATOM 505 CB ALA A 32 -2.684 -3.590 10.136 1.00 0.00 C ATOM 0 H ALA A 32 -1.466 -2.096 8.663 1.00 0.00 H new ATOM 0 HA ALA A 32 -4.241 -2.574 8.964 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -3.366 -4.089 10.824 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -2.427 -4.269 9.323 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -1.778 -3.303 10.669 1.00 0.00 H new ATOM 511 N GLN A 33 -3.159 -0.713 11.438 1.00 0.00 N ATOM 512 CA GLN A 33 -3.626 0.185 12.524 1.00 0.00 C ATOM 513 C GLN A 33 -4.353 1.495 12.056 1.00 0.00 C ATOM 514 O GLN A 33 -5.341 1.871 12.688 1.00 0.00 O ATOM 515 CB GLN A 33 -2.414 0.542 13.435 1.00 0.00 C ATOM 516 CG GLN A 33 -1.860 -0.648 14.253 1.00 0.00 C ATOM 517 CD GLN A 33 -0.595 -0.330 15.035 1.00 0.00 C ATOM 518 OE1 GLN A 33 0.522 -0.610 14.618 1.00 0.00 O ATOM 519 NE2 GLN A 33 -0.713 0.243 16.205 1.00 0.00 N ATOM 0 H GLN A 33 -2.146 -0.715 11.317 1.00 0.00 H new ATOM 0 HA GLN A 33 -4.391 -0.373 13.065 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -1.614 0.945 12.814 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -2.712 1.333 14.123 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -2.628 -0.986 14.948 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -1.656 -1.477 13.575 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -1.637 0.482 16.565 1.00 0.00 H new ATOM 0 HE22 GLN A 33 0.119 0.451 16.757 1.00 0.00 H new ATOM 528 N ARG A 34 -3.875 2.184 11.008 1.00 0.00 N ATOM 529 CA ARG A 34 -4.499 3.453 10.525 1.00 0.00 C ATOM 530 C ARG A 34 -5.760 3.310 9.603 1.00 0.00 C ATOM 531 O ARG A 34 -6.599 4.212 9.628 1.00 0.00 O ATOM 532 CB ARG A 34 -3.349 4.317 9.946 1.00 0.00 C ATOM 533 CG ARG A 34 -3.671 5.824 9.840 1.00 0.00 C ATOM 534 CD ARG A 34 -2.422 6.708 9.667 1.00 0.00 C ATOM 535 NE ARG A 34 -1.947 6.786 8.265 1.00 0.00 N ATOM 536 CZ ARG A 34 -2.195 7.775 7.416 1.00 0.00 C ATOM 537 NH1 ARG A 34 -2.934 8.812 7.679 1.00 0.00 N ATOM 538 NH2 ARG A 34 -1.670 7.704 6.243 1.00 0.00 N ATOM 0 H ARG A 34 -3.058 1.894 10.470 1.00 0.00 H new ATOM 0 HA ARG A 34 -4.969 3.959 11.368 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -2.466 4.190 10.572 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -3.094 3.942 8.955 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -4.341 5.986 8.995 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -4.207 6.137 10.736 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -2.645 7.713 10.024 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -1.620 6.318 10.294 1.00 0.00 H new ATOM 0 HE ARG A 34 -1.379 6.011 7.923 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -3.372 8.907 8.595 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -3.076 9.531 6.969 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -1.086 6.906 5.993 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -1.838 8.446 5.563 1.00 0.00 H new ATOM 551 N LEU A 35 -5.937 2.208 8.849 1.00 0.00 N ATOM 552 CA LEU A 35 -7.245 1.875 8.208 1.00 0.00 C ATOM 553 C LEU A 35 -8.257 1.096 9.132 1.00 0.00 C ATOM 554 O LEU A 35 -9.427 1.479 9.195 1.00 0.00 O ATOM 555 CB LEU A 35 -7.021 1.032 6.916 1.00 0.00 C ATOM 556 CG LEU A 35 -6.434 1.792 5.716 1.00 0.00 C ATOM 557 CD1 LEU A 35 -5.886 0.786 4.698 1.00 0.00 C ATOM 558 CD2 LEU A 35 -7.464 2.699 5.038 1.00 0.00 C ATOM 0 H LEU A 35 -5.199 1.529 8.663 1.00 0.00 H new ATOM 0 HA LEU A 35 -7.694 2.843 7.986 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -6.357 0.202 7.157 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -7.976 0.600 6.617 1.00 0.00 H new ATOM 0 HG LEU A 35 -5.635 2.432 6.090 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.469 1.322 3.845 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -5.107 0.184 5.165 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -6.692 0.136 4.359 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -6.999 3.213 4.197 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -8.298 2.097 4.679 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -7.829 3.434 5.755 1.00 0.00 H new ATOM 570 N GLY A 36 -7.832 -0.015 9.752 1.00 0.00 N ATOM 571 CA GLY A 36 -8.740 -0.934 10.475 1.00 0.00 C ATOM 572 C GLY A 36 -8.732 -2.374 9.930 1.00 0.00 C ATOM 573 O GLY A 36 -9.687 -2.804 9.279 1.00 0.00 O ATOM 0 H GLY A 36 -6.854 -0.306 9.770 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -8.459 -0.953 11.528 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -9.756 -0.542 10.423 1.00 0.00 H new ATOM 577 N PHE A 37 -7.668 -3.116 10.238 1.00 0.00 N ATOM 578 CA PHE A 37 -7.565 -4.565 9.943 1.00 0.00 C ATOM 579 C PHE A 37 -7.415 -5.365 11.286 1.00 0.00 C ATOM 580 O PHE A 37 -6.546 -5.067 12.110 1.00 0.00 O ATOM 581 CB PHE A 37 -6.309 -4.863 9.079 1.00 0.00 C ATOM 582 CG PHE A 37 -6.417 -4.530 7.590 1.00 0.00 C ATOM 583 CD1 PHE A 37 -6.181 -3.234 7.099 1.00 0.00 C ATOM 584 CD2 PHE A 37 -6.683 -5.556 6.674 1.00 0.00 C ATOM 585 CE1 PHE A 37 -6.176 -2.985 5.726 1.00 0.00 C ATOM 586 CE2 PHE A 37 -6.688 -5.304 5.301 1.00 0.00 C ATOM 587 CZ PHE A 37 -6.428 -4.019 4.830 1.00 0.00 C ATOM 0 H PHE A 37 -6.843 -2.736 10.702 1.00 0.00 H new ATOM 0 HA PHE A 37 -8.465 -4.863 9.406 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -5.468 -4.307 9.494 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -6.070 -5.922 9.176 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -6.002 -2.424 7.791 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -6.887 -6.554 7.034 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -5.976 -1.989 5.359 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -6.893 -6.104 4.605 1.00 0.00 H new ATOM 0 HZ PHE A 37 -6.422 -3.825 3.768 1.00 0.00 H new ATOM 597 N ARG A 38 -8.184 -6.448 11.434 1.00 0.00 N ATOM 598 CA ARG A 38 -7.898 -7.494 12.462 1.00 0.00 C ATOM 599 C ARG A 38 -6.505 -8.224 12.347 1.00 0.00 C ATOM 600 O ARG A 38 -5.845 -8.447 13.362 1.00 0.00 O ATOM 601 CB ARG A 38 -9.111 -8.461 12.564 1.00 0.00 C ATOM 602 CG ARG A 38 -9.179 -9.685 11.634 1.00 0.00 C ATOM 603 CD ARG A 38 -9.314 -9.398 10.135 1.00 0.00 C ATOM 604 NE ARG A 38 -8.804 -10.567 9.381 1.00 0.00 N ATOM 605 CZ ARG A 38 -8.746 -10.666 8.063 1.00 0.00 C ATOM 606 NH1 ARG A 38 -9.139 -9.742 7.235 1.00 0.00 N ATOM 607 NH2 ARG A 38 -8.263 -11.756 7.572 1.00 0.00 N ATOM 0 H ARG A 38 -9.009 -6.637 10.865 1.00 0.00 H new ATOM 0 HA ARG A 38 -7.778 -6.969 13.410 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -9.153 -8.827 13.590 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -10.014 -7.873 12.398 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -8.279 -10.281 11.788 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -10.025 -10.300 11.941 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -10.356 -9.208 9.879 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -8.752 -8.502 9.869 1.00 0.00 H new ATOM 0 HE ARG A 38 -8.469 -11.363 9.924 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -9.524 -8.867 7.592 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -9.062 -9.892 6.229 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -7.945 -12.499 8.195 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -8.199 -11.876 6.561 1.00 0.00 H new ATOM 620 N SER A 39 -6.095 -8.589 11.123 1.00 0.00 N ATOM 621 CA SER A 39 -4.869 -9.366 10.868 1.00 0.00 C ATOM 622 C SER A 39 -3.768 -8.484 10.179 1.00 0.00 C ATOM 623 O SER A 39 -3.948 -8.134 9.004 1.00 0.00 O ATOM 624 CB SER A 39 -5.232 -10.569 9.945 1.00 0.00 C ATOM 625 OG SER A 39 -6.215 -11.434 10.521 1.00 0.00 O ATOM 0 H SER A 39 -6.608 -8.352 10.274 1.00 0.00 H new ATOM 0 HA SER A 39 -4.466 -9.718 11.818 1.00 0.00 H new ATOM 0 HB2 SER A 39 -5.601 -10.191 8.992 1.00 0.00 H new ATOM 0 HB3 SER A 39 -4.330 -11.143 9.732 1.00 0.00 H new ATOM 0 HG SER A 39 -6.407 -12.169 9.902 1.00 0.00 H new ATOM 631 N PRO A 40 -2.604 -8.157 10.803 1.00 0.00 N ATOM 632 CA PRO A 40 -1.441 -7.521 10.082 1.00 0.00 C ATOM 633 C PRO A 40 -0.914 -8.193 8.786 1.00 0.00 C ATOM 634 O PRO A 40 -0.572 -7.494 7.832 1.00 0.00 O ATOM 635 CB PRO A 40 -0.370 -7.419 11.200 1.00 0.00 C ATOM 636 CG PRO A 40 -1.205 -7.291 12.496 1.00 0.00 C ATOM 637 CD PRO A 40 -2.391 -8.247 12.263 1.00 0.00 C ATOM 0 HA PRO A 40 -1.753 -6.572 9.645 1.00 0.00 H new ATOM 0 HB2 PRO A 40 0.271 -8.300 11.222 1.00 0.00 H new ATOM 0 HB3 PRO A 40 0.279 -6.556 11.055 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -0.627 -7.577 13.375 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -1.542 -6.267 12.656 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -2.157 -9.265 12.575 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -3.275 -7.938 12.820 1.00 0.00 H new ATOM 645 N ASN A 41 -0.903 -9.532 8.720 1.00 0.00 N ATOM 646 CA ASN A 41 -0.604 -10.279 7.469 1.00 0.00 C ATOM 647 C ASN A 41 -1.659 -10.146 6.298 1.00 0.00 C ATOM 648 O ASN A 41 -1.254 -10.269 5.142 1.00 0.00 O ATOM 649 CB ASN A 41 -0.350 -11.773 7.785 1.00 0.00 C ATOM 650 CG ASN A 41 0.834 -12.056 8.697 1.00 0.00 C ATOM 651 OD1 ASN A 41 0.682 -12.264 9.893 1.00 0.00 O ATOM 652 ND2 ASN A 41 2.043 -12.059 8.196 1.00 0.00 N ATOM 0 H ASN A 41 -1.098 -10.133 9.521 1.00 0.00 H new ATOM 0 HA ASN A 41 0.293 -9.796 7.081 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -1.248 -12.187 8.244 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -0.198 -12.305 6.846 1.00 0.00 H new ATOM 0 HD21 ASN A 41 2.845 -12.233 8.801 1.00 0.00 H new ATOM 0 HD22 ASN A 41 2.183 -11.887 7.200 1.00 0.00 H new ATOM 659 N ALA A 42 -2.947 -9.860 6.567 1.00 0.00 N ATOM 660 CA ALA A 42 -3.896 -9.394 5.515 1.00 0.00 C ATOM 661 C ALA A 42 -3.581 -7.989 4.893 1.00 0.00 C ATOM 662 O ALA A 42 -3.586 -7.862 3.667 1.00 0.00 O ATOM 663 CB ALA A 42 -5.309 -9.448 6.113 1.00 0.00 C ATOM 0 H ALA A 42 -3.361 -9.940 7.496 1.00 0.00 H new ATOM 0 HA ALA A 42 -3.794 -10.064 4.661 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.032 -9.113 5.369 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.540 -10.471 6.408 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.359 -8.798 6.987 1.00 0.00 H new ATOM 669 N ALA A 43 -3.242 -6.978 5.713 1.00 0.00 N ATOM 670 CA ALA A 43 -2.582 -5.738 5.224 1.00 0.00 C ATOM 671 C ALA A 43 -1.216 -5.920 4.467 1.00 0.00 C ATOM 672 O ALA A 43 -1.008 -5.256 3.452 1.00 0.00 O ATOM 673 CB ALA A 43 -2.435 -4.816 6.441 1.00 0.00 C ATOM 0 H ALA A 43 -3.411 -6.988 6.719 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.216 -5.314 4.445 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -1.954 -3.886 6.137 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -3.420 -4.597 6.853 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.826 -5.309 7.199 1.00 0.00 H new ATOM 679 N GLU A 44 -0.333 -6.831 4.917 1.00 0.00 N ATOM 680 CA GLU A 44 0.865 -7.251 4.143 1.00 0.00 C ATOM 681 C GLU A 44 0.576 -7.924 2.753 1.00 0.00 C ATOM 682 O GLU A 44 1.142 -7.490 1.751 1.00 0.00 O ATOM 683 CB GLU A 44 1.717 -8.201 5.033 1.00 0.00 C ATOM 684 CG GLU A 44 3.162 -8.354 4.522 1.00 0.00 C ATOM 685 CD GLU A 44 3.994 -9.428 5.190 1.00 0.00 C ATOM 686 OE1 GLU A 44 3.629 -10.097 6.155 1.00 0.00 O ATOM 687 OE2 GLU A 44 5.208 -9.554 4.584 1.00 0.00 O ATOM 0 H GLU A 44 -0.423 -7.297 5.820 1.00 0.00 H new ATOM 0 HA GLU A 44 1.400 -6.335 3.891 1.00 0.00 H new ATOM 0 HB2 GLU A 44 1.735 -7.818 6.053 1.00 0.00 H new ATOM 0 HB3 GLU A 44 1.243 -9.182 5.069 1.00 0.00 H new ATOM 0 HG2 GLU A 44 3.128 -8.562 3.453 1.00 0.00 H new ATOM 0 HG3 GLU A 44 3.672 -7.399 4.645 1.00 0.00 H new ATOM 695 N GLU A 45 -0.259 -8.969 2.689 1.00 0.00 N ATOM 696 CA GLU A 45 -0.636 -9.617 1.400 1.00 0.00 C ATOM 697 C GLU A 45 -1.361 -8.683 0.373 1.00 0.00 C ATOM 698 O GLU A 45 -1.009 -8.724 -0.807 1.00 0.00 O ATOM 699 CB GLU A 45 -1.452 -10.882 1.765 1.00 0.00 C ATOM 700 CG GLU A 45 -1.716 -11.834 0.582 1.00 0.00 C ATOM 701 CD GLU A 45 -2.475 -13.086 0.988 1.00 0.00 C ATOM 702 OE1 GLU A 45 -1.936 -14.126 1.352 1.00 0.00 O ATOM 703 OE2 GLU A 45 -3.823 -12.929 0.901 1.00 0.00 O ATOM 0 H GLU A 45 -0.693 -9.393 3.509 1.00 0.00 H new ATOM 0 HA GLU A 45 0.270 -9.880 0.854 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -0.921 -11.429 2.544 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -2.408 -10.573 2.187 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -2.282 -11.305 -0.184 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -0.765 -12.121 0.134 1.00 0.00 H new ATOM 711 N HIS A 46 -2.291 -7.818 0.812 1.00 0.00 N ATOM 712 CA HIS A 46 -2.791 -6.694 -0.021 1.00 0.00 C ATOM 713 C HIS A 46 -1.706 -5.643 -0.447 1.00 0.00 C ATOM 714 O HIS A 46 -1.672 -5.318 -1.627 1.00 0.00 O ATOM 715 CB HIS A 46 -3.970 -5.999 0.686 1.00 0.00 C ATOM 716 CG HIS A 46 -5.278 -6.786 0.814 1.00 0.00 C ATOM 717 ND1 HIS A 46 -5.695 -7.833 -0.003 1.00 0.00 N ATOM 718 CD2 HIS A 46 -6.275 -6.474 1.743 1.00 0.00 C ATOM 719 CE1 HIS A 46 -6.925 -8.071 0.544 1.00 0.00 C ATOM 720 NE2 HIS A 46 -7.357 -7.314 1.598 1.00 0.00 N ATOM 0 H HIS A 46 -2.716 -7.870 1.738 1.00 0.00 H new ATOM 0 HA HIS A 46 -3.119 -7.149 -0.956 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -3.645 -5.721 1.688 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -4.185 -5.073 0.152 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -6.206 -5.682 2.475 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -7.553 -8.854 0.145 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -8.229 -7.359 2.125 1.00 0.00 H new ATOM 728 N LEU A 47 -0.804 -5.174 0.436 1.00 0.00 N ATOM 729 CA LEU A 47 0.421 -4.402 0.026 1.00 0.00 C ATOM 730 C LEU A 47 1.265 -5.026 -1.141 1.00 0.00 C ATOM 731 O LEU A 47 1.517 -4.332 -2.127 1.00 0.00 O ATOM 732 CB LEU A 47 1.215 -4.129 1.332 1.00 0.00 C ATOM 733 CG LEU A 47 2.598 -3.456 1.233 1.00 0.00 C ATOM 734 CD1 LEU A 47 2.533 -2.023 0.711 1.00 0.00 C ATOM 735 CD2 LEU A 47 3.266 -3.447 2.622 1.00 0.00 C ATOM 0 H LEU A 47 -0.887 -5.308 1.444 1.00 0.00 H new ATOM 0 HA LEU A 47 0.121 -3.466 -0.445 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.591 -3.508 1.974 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.348 -5.083 1.843 1.00 0.00 H new ATOM 0 HG LEU A 47 3.179 -4.039 0.518 1.00 0.00 H new ATOM 0 HD11 LEU A 47 3.539 -1.606 0.665 1.00 0.00 H new ATOM 0 HD12 LEU A 47 2.093 -2.019 -0.286 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.920 -1.419 1.381 1.00 0.00 H new ATOM 0 HD21 LEU A 47 4.244 -2.971 2.552 1.00 0.00 H new ATOM 0 HD22 LEU A 47 2.642 -2.892 3.322 1.00 0.00 H new ATOM 0 HD23 LEU A 47 3.385 -4.471 2.975 1.00 0.00 H new ATOM 747 N LYS A 48 1.643 -6.311 -1.057 1.00 0.00 N ATOM 748 CA LYS A 48 2.296 -7.042 -2.179 1.00 0.00 C ATOM 749 C LYS A 48 1.421 -7.203 -3.485 1.00 0.00 C ATOM 750 O LYS A 48 1.896 -6.859 -4.571 1.00 0.00 O ATOM 751 CB LYS A 48 2.786 -8.427 -1.675 1.00 0.00 C ATOM 752 CG LYS A 48 4.146 -8.469 -0.955 1.00 0.00 C ATOM 753 CD LYS A 48 4.169 -7.854 0.450 1.00 0.00 C ATOM 754 CE LYS A 48 5.500 -8.133 1.159 1.00 0.00 C ATOM 755 NZ LYS A 48 5.583 -7.349 2.408 1.00 0.00 N ATOM 0 H LYS A 48 1.510 -6.878 -0.220 1.00 0.00 H new ATOM 0 HA LYS A 48 3.134 -6.419 -2.490 1.00 0.00 H new ATOM 0 HB2 LYS A 48 2.032 -8.827 -0.997 1.00 0.00 H new ATOM 0 HB3 LYS A 48 2.835 -9.101 -2.531 1.00 0.00 H new ATOM 0 HG2 LYS A 48 4.467 -9.508 -0.883 1.00 0.00 H new ATOM 0 HG3 LYS A 48 4.880 -7.950 -1.572 1.00 0.00 H new ATOM 0 HD2 LYS A 48 4.010 -6.778 0.381 1.00 0.00 H new ATOM 0 HD3 LYS A 48 3.348 -8.260 1.041 1.00 0.00 H new ATOM 0 HE2 LYS A 48 5.587 -9.197 1.381 1.00 0.00 H new ATOM 0 HE3 LYS A 48 6.332 -7.876 0.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 6.491 -6.843 2.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 4.803 -6.662 2.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 5.514 -7.989 3.225 1.00 0.00 H new ATOM 768 N ALA A 49 0.185 -7.712 -3.378 1.00 0.00 N ATOM 769 CA ALA A 49 -0.739 -7.849 -4.535 1.00 0.00 C ATOM 770 C ALA A 49 -1.254 -6.534 -5.216 1.00 0.00 C ATOM 771 O ALA A 49 -1.411 -6.516 -6.437 1.00 0.00 O ATOM 772 CB ALA A 49 -1.897 -8.731 -4.043 1.00 0.00 C ATOM 0 H ALA A 49 -0.209 -8.041 -2.497 1.00 0.00 H new ATOM 0 HA ALA A 49 -0.171 -8.289 -5.354 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -2.616 -8.871 -4.850 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -1.509 -9.700 -3.730 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -2.389 -8.248 -3.199 1.00 0.00 H new ATOM 778 N LEU A 50 -1.498 -5.458 -4.459 1.00 0.00 N ATOM 779 CA LEU A 50 -1.676 -4.081 -5.012 1.00 0.00 C ATOM 780 C LEU A 50 -0.427 -3.519 -5.751 1.00 0.00 C ATOM 781 O LEU A 50 -0.542 -3.148 -6.922 1.00 0.00 O ATOM 782 CB LEU A 50 -2.191 -3.228 -3.825 1.00 0.00 C ATOM 783 CG LEU A 50 -2.510 -1.733 -3.989 1.00 0.00 C ATOM 784 CD1 LEU A 50 -1.286 -0.860 -3.687 1.00 0.00 C ATOM 785 CD2 LEU A 50 -3.136 -1.368 -5.327 1.00 0.00 C ATOM 0 H LEU A 50 -1.580 -5.502 -3.443 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.401 -4.069 -5.826 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.100 -3.708 -3.461 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.448 -3.308 -3.031 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.278 -1.522 -3.245 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -1.548 0.190 -3.813 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.960 -1.032 -2.661 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -0.478 -1.117 -4.372 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.328 -0.296 -5.358 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.454 -1.638 -6.133 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -4.075 -1.909 -5.449 1.00 0.00 H new ATOM 797 N ALA A 51 0.749 -3.489 -5.105 1.00 0.00 N ATOM 798 CA ALA A 51 2.019 -3.057 -5.739 1.00 0.00 C ATOM 799 C ALA A 51 2.404 -3.705 -7.105 1.00 0.00 C ATOM 800 O ALA A 51 2.694 -2.976 -8.059 1.00 0.00 O ATOM 801 CB ALA A 51 3.100 -3.312 -4.680 1.00 0.00 C ATOM 0 H ALA A 51 0.854 -3.762 -4.128 1.00 0.00 H new ATOM 0 HA ALA A 51 1.905 -2.012 -6.028 1.00 0.00 H new ATOM 0 HB1 ALA A 51 4.072 -3.017 -5.074 1.00 0.00 H new ATOM 0 HB2 ALA A 51 2.879 -2.729 -3.786 1.00 0.00 H new ATOM 0 HB3 ALA A 51 3.118 -4.372 -4.426 1.00 0.00 H new ATOM 807 N ARG A 52 2.374 -5.042 -7.192 1.00 0.00 N ATOM 808 CA ARG A 52 2.760 -5.784 -8.419 1.00 0.00 C ATOM 809 C ARG A 52 1.633 -6.018 -9.497 1.00 0.00 C ATOM 810 O ARG A 52 1.909 -6.646 -10.520 1.00 0.00 O ATOM 811 CB ARG A 52 3.485 -7.086 -7.973 1.00 0.00 C ATOM 812 CG ARG A 52 5.000 -6.921 -7.690 1.00 0.00 C ATOM 813 CD ARG A 52 5.374 -6.148 -6.418 1.00 0.00 C ATOM 814 NE ARG A 52 6.823 -5.818 -6.397 1.00 0.00 N ATOM 815 CZ ARG A 52 7.387 -4.785 -7.011 1.00 0.00 C ATOM 816 NH1 ARG A 52 6.744 -3.914 -7.732 1.00 0.00 N ATOM 817 NH2 ARG A 52 8.661 -4.634 -6.888 1.00 0.00 N ATOM 0 H ARG A 52 2.084 -5.645 -6.422 1.00 0.00 H new ATOM 0 HA ARG A 52 3.433 -5.141 -8.987 1.00 0.00 H new ATOM 0 HB2 ARG A 52 3.001 -7.465 -7.073 1.00 0.00 H new ATOM 0 HB3 ARG A 52 3.354 -7.842 -8.748 1.00 0.00 H new ATOM 0 HG2 ARG A 52 5.447 -7.913 -7.631 1.00 0.00 H new ATOM 0 HG3 ARG A 52 5.454 -6.417 -8.543 1.00 0.00 H new ATOM 0 HD2 ARG A 52 4.788 -5.230 -6.361 1.00 0.00 H new ATOM 0 HD3 ARG A 52 5.121 -6.742 -5.540 1.00 0.00 H new ATOM 0 HE ARG A 52 7.436 -6.437 -5.866 1.00 0.00 H new ATOM 0 HH11 ARG A 52 5.735 -4.000 -7.856 1.00 0.00 H new ATOM 0 HH12 ARG A 52 7.249 -3.145 -8.173 1.00 0.00 H new ATOM 0 HH21 ARG A 52 9.202 -5.297 -6.333 1.00 0.00 H new ATOM 0 HH22 ARG A 52 9.128 -3.852 -7.346 1.00 0.00 H new ATOM 830 N LYS A 53 0.446 -5.395 -9.371 1.00 0.00 N ATOM 831 CA LYS A 53 -0.322 -4.912 -10.560 1.00 0.00 C ATOM 832 C LYS A 53 0.434 -3.781 -11.386 1.00 0.00 C ATOM 833 O LYS A 53 0.505 -3.865 -12.613 1.00 0.00 O ATOM 834 CB LYS A 53 -1.704 -4.347 -10.122 1.00 0.00 C ATOM 835 CG LYS A 53 -2.703 -5.373 -9.563 1.00 0.00 C ATOM 836 CD LYS A 53 -3.988 -4.669 -9.081 1.00 0.00 C ATOM 837 CE LYS A 53 -5.001 -5.601 -8.405 1.00 0.00 C ATOM 838 NZ LYS A 53 -4.523 -6.024 -7.073 1.00 0.00 N ATOM 0 H LYS A 53 -0.007 -5.211 -8.476 1.00 0.00 H new ATOM 0 HA LYS A 53 -0.438 -5.782 -11.206 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -1.538 -3.581 -9.365 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -2.161 -3.854 -10.980 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -2.949 -6.106 -10.332 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -2.248 -5.919 -8.736 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -3.715 -3.879 -8.381 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -4.467 -4.188 -9.934 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -5.960 -5.092 -8.307 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -5.168 -6.478 -9.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -4.824 -7.003 -6.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -3.485 -5.970 -7.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -4.923 -5.398 -6.346 1.00 0.00 H new ATOM 851 N GLY A 54 0.963 -2.766 -10.690 1.00 0.00 N ATOM 852 CA GLY A 54 1.789 -1.695 -11.290 1.00 0.00 C ATOM 853 C GLY A 54 1.506 -0.293 -10.724 1.00 0.00 C ATOM 854 O GLY A 54 1.124 0.600 -11.480 1.00 0.00 O ATOM 0 H GLY A 54 0.832 -2.659 -9.684 1.00 0.00 H new ATOM 0 HA2 GLY A 54 2.841 -1.932 -11.135 1.00 0.00 H new ATOM 0 HA3 GLY A 54 1.621 -1.681 -12.367 1.00 0.00 H new ATOM 858 N VAL A 55 1.712 -0.106 -9.413 1.00 0.00 N ATOM 859 CA VAL A 55 1.420 1.187 -8.718 1.00 0.00 C ATOM 860 C VAL A 55 2.550 1.645 -7.721 1.00 0.00 C ATOM 861 O VAL A 55 2.882 2.834 -7.699 1.00 0.00 O ATOM 862 CB VAL A 55 0.010 1.284 -8.048 1.00 0.00 C ATOM 863 CG1 VAL A 55 -1.156 1.051 -9.028 1.00 0.00 C ATOM 864 CG2 VAL A 55 -0.226 0.382 -6.833 1.00 0.00 C ATOM 0 H VAL A 55 2.082 -0.830 -8.796 1.00 0.00 H new ATOM 0 HA VAL A 55 1.405 1.896 -9.546 1.00 0.00 H new ATOM 0 HB VAL A 55 0.022 2.317 -7.699 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -2.102 1.133 -8.494 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -1.120 1.799 -9.820 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -1.071 0.056 -9.464 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.237 0.537 -6.456 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -0.104 -0.661 -7.125 1.00 0.00 H new ATOM 0 HG23 VAL A 55 0.494 0.627 -6.053 1.00 0.00 H new ATOM 874 N ILE A 56 3.110 0.733 -6.903 1.00 0.00 N ATOM 875 CA ILE A 56 4.288 1.030 -6.045 1.00 0.00 C ATOM 876 C ILE A 56 5.426 -0.036 -6.261 1.00 0.00 C ATOM 877 O ILE A 56 5.164 -1.210 -6.539 1.00 0.00 O ATOM 878 CB ILE A 56 3.979 1.264 -4.518 1.00 0.00 C ATOM 879 CG1 ILE A 56 3.647 0.004 -3.691 1.00 0.00 C ATOM 880 CG2 ILE A 56 2.898 2.338 -4.283 1.00 0.00 C ATOM 881 CD1 ILE A 56 3.941 0.148 -2.195 1.00 0.00 C ATOM 0 H ILE A 56 2.767 -0.224 -6.814 1.00 0.00 H new ATOM 0 HA ILE A 56 4.642 2.003 -6.386 1.00 0.00 H new ATOM 0 HB ILE A 56 4.938 1.622 -4.144 1.00 0.00 H new ATOM 0 HG12 ILE A 56 2.592 -0.237 -3.822 1.00 0.00 H new ATOM 0 HG13 ILE A 56 4.218 -0.837 -4.084 1.00 0.00 H new ATOM 0 HG21 ILE A 56 2.728 2.455 -3.213 1.00 0.00 H new ATOM 0 HG22 ILE A 56 3.230 3.287 -4.704 1.00 0.00 H new ATOM 0 HG23 ILE A 56 1.970 2.032 -4.766 1.00 0.00 H new ATOM 0 HD11 ILE A 56 3.682 -0.778 -1.682 1.00 0.00 H new ATOM 0 HD12 ILE A 56 5.001 0.358 -2.051 1.00 0.00 H new ATOM 0 HD13 ILE A 56 3.350 0.967 -1.785 1.00 0.00 H new ATOM 893 N GLU A 57 6.679 0.381 -6.071 1.00 0.00 N ATOM 894 CA GLU A 57 7.848 -0.529 -6.085 1.00 0.00 C ATOM 895 C GLU A 57 8.244 -0.947 -4.629 1.00 0.00 C ATOM 896 O GLU A 57 8.617 -0.104 -3.804 1.00 0.00 O ATOM 897 CB GLU A 57 9.040 0.166 -6.792 1.00 0.00 C ATOM 898 CG GLU A 57 8.861 0.468 -8.293 1.00 0.00 C ATOM 899 CD GLU A 57 8.712 -0.715 -9.232 1.00 0.00 C ATOM 900 OE1 GLU A 57 8.824 -1.894 -8.906 1.00 0.00 O ATOM 901 OE2 GLU A 57 8.433 -0.317 -10.502 1.00 0.00 O ATOM 0 H GLU A 57 6.922 1.357 -5.902 1.00 0.00 H new ATOM 0 HA GLU A 57 7.584 -1.433 -6.634 1.00 0.00 H new ATOM 0 HB2 GLU A 57 9.244 1.104 -6.276 1.00 0.00 H new ATOM 0 HB3 GLU A 57 9.923 -0.462 -6.672 1.00 0.00 H new ATOM 0 HG2 GLU A 57 7.981 1.101 -8.406 1.00 0.00 H new ATOM 0 HG3 GLU A 57 9.719 1.054 -8.623 1.00 0.00 H new ATOM 909 N ILE A 58 8.166 -2.249 -4.337 1.00 0.00 N ATOM 910 CA ILE A 58 8.572 -2.814 -3.012 1.00 0.00 C ATOM 911 C ILE A 58 10.039 -3.365 -3.089 1.00 0.00 C ATOM 912 O ILE A 58 10.458 -4.007 -4.056 1.00 0.00 O ATOM 913 CB ILE A 58 7.512 -3.874 -2.514 1.00 0.00 C ATOM 914 CG1 ILE A 58 6.162 -3.170 -2.162 1.00 0.00 C ATOM 915 CG2 ILE A 58 7.978 -4.674 -1.269 1.00 0.00 C ATOM 916 CD1 ILE A 58 4.992 -4.121 -1.913 1.00 0.00 C ATOM 0 H ILE A 58 7.825 -2.950 -4.995 1.00 0.00 H new ATOM 0 HA ILE A 58 8.581 -2.028 -2.257 1.00 0.00 H new ATOM 0 HB ILE A 58 7.388 -4.576 -3.339 1.00 0.00 H new ATOM 0 HG12 ILE A 58 6.309 -2.556 -1.273 1.00 0.00 H new ATOM 0 HG13 ILE A 58 5.897 -2.495 -2.976 1.00 0.00 H new ATOM 0 HG21 ILE A 58 7.202 -5.384 -0.981 1.00 0.00 H new ATOM 0 HG22 ILE A 58 8.894 -5.215 -1.506 1.00 0.00 H new ATOM 0 HG23 ILE A 58 8.165 -3.987 -0.444 1.00 0.00 H new ATOM 0 HD11 ILE A 58 4.098 -3.544 -1.676 1.00 0.00 H new ATOM 0 HD12 ILE A 58 4.812 -4.718 -2.807 1.00 0.00 H new ATOM 0 HD13 ILE A 58 5.230 -4.780 -1.078 1.00 0.00 H new ATOM 928 N VAL A 59 10.793 -3.127 -2.012 1.00 0.00 N ATOM 929 CA VAL A 59 12.159 -3.703 -1.824 1.00 0.00 C ATOM 930 C VAL A 59 12.037 -5.158 -1.251 1.00 0.00 C ATOM 931 O VAL A 59 11.292 -5.411 -0.299 1.00 0.00 O ATOM 932 CB VAL A 59 12.968 -2.744 -0.887 1.00 0.00 C ATOM 933 CG1 VAL A 59 14.346 -3.283 -0.450 1.00 0.00 C ATOM 934 CG2 VAL A 59 13.251 -1.371 -1.550 1.00 0.00 C ATOM 0 H VAL A 59 10.490 -2.534 -1.240 1.00 0.00 H new ATOM 0 HA VAL A 59 12.695 -3.782 -2.770 1.00 0.00 H new ATOM 0 HB VAL A 59 12.315 -2.655 -0.019 1.00 0.00 H new ATOM 0 HG11 VAL A 59 14.834 -2.553 0.196 1.00 0.00 H new ATOM 0 HG12 VAL A 59 14.215 -4.219 0.094 1.00 0.00 H new ATOM 0 HG13 VAL A 59 14.964 -3.459 -1.331 1.00 0.00 H new ATOM 0 HG21 VAL A 59 13.814 -0.743 -0.860 1.00 0.00 H new ATOM 0 HG22 VAL A 59 13.831 -1.519 -2.461 1.00 0.00 H new ATOM 0 HG23 VAL A 59 12.307 -0.884 -1.796 1.00 0.00 H new ATOM 944 N SER A 60 12.795 -6.107 -1.818 1.00 0.00 N ATOM 945 CA SER A 60 12.816 -7.514 -1.322 1.00 0.00 C ATOM 946 C SER A 60 13.574 -7.660 0.039 1.00 0.00 C ATOM 947 O SER A 60 14.805 -7.707 0.089 1.00 0.00 O ATOM 948 CB SER A 60 13.429 -8.404 -2.427 1.00 0.00 C ATOM 949 OG SER A 60 12.581 -8.460 -3.576 1.00 0.00 O ATOM 0 H SER A 60 13.404 -5.939 -2.619 1.00 0.00 H new ATOM 0 HA SER A 60 11.796 -7.836 -1.113 1.00 0.00 H new ATOM 0 HB2 SER A 60 14.406 -8.013 -2.712 1.00 0.00 H new ATOM 0 HB3 SER A 60 13.588 -9.410 -2.040 1.00 0.00 H new ATOM 0 HG SER A 60 12.994 -9.028 -4.260 1.00 0.00 H new ATOM 955 N GLY A 61 12.801 -7.666 1.133 1.00 0.00 N ATOM 956 CA GLY A 61 13.351 -7.517 2.504 1.00 0.00 C ATOM 957 C GLY A 61 12.667 -6.397 3.308 1.00 0.00 C ATOM 958 O GLY A 61 11.922 -6.673 4.250 1.00 0.00 O ATOM 0 H GLY A 61 11.787 -7.772 1.104 1.00 0.00 H new ATOM 0 HA2 GLY A 61 13.240 -8.460 3.039 1.00 0.00 H new ATOM 0 HA3 GLY A 61 14.419 -7.311 2.440 1.00 0.00 H new ATOM 962 N ALA A 62 12.919 -5.137 2.930 1.00 0.00 N ATOM 963 CA ALA A 62 12.268 -3.970 3.568 1.00 0.00 C ATOM 964 C ALA A 62 10.792 -3.753 3.103 1.00 0.00 C ATOM 965 O ALA A 62 10.523 -3.308 1.984 1.00 0.00 O ATOM 966 CB ALA A 62 13.153 -2.748 3.279 1.00 0.00 C ATOM 0 H ALA A 62 13.570 -4.892 2.184 1.00 0.00 H new ATOM 0 HA ALA A 62 12.185 -4.141 4.641 1.00 0.00 H new ATOM 0 HB1 ALA A 62 12.709 -1.862 3.733 1.00 0.00 H new ATOM 0 HB2 ALA A 62 14.146 -2.911 3.697 1.00 0.00 H new ATOM 0 HB3 ALA A 62 13.232 -2.603 2.202 1.00 0.00 H new ATOM 972 N SER A 63 9.841 -4.060 3.997 1.00 0.00 N ATOM 973 CA SER A 63 8.388 -3.843 3.730 1.00 0.00 C ATOM 974 C SER A 63 7.853 -2.367 3.744 1.00 0.00 C ATOM 975 O SER A 63 6.781 -2.130 3.186 1.00 0.00 O ATOM 976 CB SER A 63 7.582 -4.760 4.676 1.00 0.00 C ATOM 977 OG SER A 63 7.805 -6.139 4.371 1.00 0.00 O ATOM 0 H SER A 63 10.039 -4.460 4.914 1.00 0.00 H new ATOM 0 HA SER A 63 8.243 -4.106 2.682 1.00 0.00 H new ATOM 0 HB2 SER A 63 7.867 -4.562 5.709 1.00 0.00 H new ATOM 0 HB3 SER A 63 6.519 -4.533 4.590 1.00 0.00 H new ATOM 0 HG SER A 63 7.285 -6.698 4.985 1.00 0.00 H new ATOM 983 N ARG A 64 8.612 -1.380 4.266 1.00 0.00 N ATOM 984 CA ARG A 64 8.581 -0.012 3.682 1.00 0.00 C ATOM 985 C ARG A 64 9.556 -0.005 2.436 1.00 0.00 C ATOM 986 O ARG A 64 10.780 -0.018 2.595 1.00 0.00 O ATOM 987 CB ARG A 64 9.041 1.089 4.670 1.00 0.00 C ATOM 988 CG ARG A 64 8.142 1.333 5.894 1.00 0.00 C ATOM 989 CD ARG A 64 8.365 2.746 6.455 1.00 0.00 C ATOM 990 NE ARG A 64 7.734 2.931 7.783 1.00 0.00 N ATOM 991 CZ ARG A 64 8.337 2.749 8.952 1.00 0.00 C ATOM 992 NH1 ARG A 64 9.544 2.285 9.091 1.00 0.00 N ATOM 993 NH2 ARG A 64 7.687 3.057 10.022 1.00 0.00 N ATOM 0 H ARG A 64 9.236 -1.492 5.065 1.00 0.00 H new ATOM 0 HA ARG A 64 7.549 0.214 3.414 1.00 0.00 H new ATOM 0 HB2 ARG A 64 10.039 0.833 5.026 1.00 0.00 H new ATOM 0 HB3 ARG A 64 9.129 2.026 4.120 1.00 0.00 H new ATOM 0 HG2 ARG A 64 7.096 1.208 5.615 1.00 0.00 H new ATOM 0 HG3 ARG A 64 8.357 0.592 6.664 1.00 0.00 H new ATOM 0 HD2 ARG A 64 9.435 2.938 6.534 1.00 0.00 H new ATOM 0 HD3 ARG A 64 7.960 3.479 5.758 1.00 0.00 H new ATOM 0 HE ARG A 64 6.757 3.222 7.801 1.00 0.00 H new ATOM 0 HH11 ARG A 64 10.092 2.034 8.268 1.00 0.00 H new ATOM 0 HH12 ARG A 64 9.943 2.172 10.023 1.00 0.00 H new ATOM 0 HH21 ARG A 64 6.739 3.428 9.954 1.00 0.00 H new ATOM 0 HH22 ARG A 64 8.120 2.930 10.936 1.00 0.00 H new ATOM 1006 N GLY A 65 8.974 -0.063 1.235 1.00 0.00 N ATOM 1007 CA GLY A 65 9.748 -0.233 -0.017 1.00 0.00 C ATOM 1008 C GLY A 65 10.509 0.992 -0.541 1.00 0.00 C ATOM 1009 O GLY A 65 11.480 1.418 0.084 1.00 0.00 O ATOM 0 H GLY A 65 7.966 0.005 1.094 1.00 0.00 H new ATOM 0 HA2 GLY A 65 10.467 -1.038 0.137 1.00 0.00 H new ATOM 0 HA3 GLY A 65 9.062 -0.564 -0.797 1.00 0.00 H new ATOM 1013 N ILE A 66 10.126 1.527 -1.712 1.00 0.00 N ATOM 1014 CA ILE A 66 10.846 2.696 -2.320 1.00 0.00 C ATOM 1015 C ILE A 66 9.906 3.776 -2.932 1.00 0.00 C ATOM 1016 O ILE A 66 9.907 4.908 -2.444 1.00 0.00 O ATOM 1017 CB ILE A 66 12.067 2.220 -3.174 1.00 0.00 C ATOM 1018 CG1 ILE A 66 13.187 3.276 -3.348 1.00 0.00 C ATOM 1019 CG2 ILE A 66 11.754 1.496 -4.489 1.00 0.00 C ATOM 1020 CD1 ILE A 66 12.948 4.450 -4.289 1.00 0.00 C ATOM 0 H ILE A 66 9.337 1.187 -2.262 1.00 0.00 H new ATOM 0 HA ILE A 66 11.300 3.280 -1.519 1.00 0.00 H new ATOM 0 HB ILE A 66 12.466 1.437 -2.528 1.00 0.00 H new ATOM 0 HG12 ILE A 66 13.413 3.683 -2.363 1.00 0.00 H new ATOM 0 HG13 ILE A 66 14.081 2.755 -3.690 1.00 0.00 H new ATOM 0 HG21 ILE A 66 12.686 1.220 -4.983 1.00 0.00 H new ATOM 0 HG22 ILE A 66 11.174 0.597 -4.280 1.00 0.00 H new ATOM 0 HG23 ILE A 66 11.180 2.156 -5.140 1.00 0.00 H new ATOM 0 HD11 ILE A 66 13.827 5.095 -4.297 1.00 0.00 H new ATOM 0 HD12 ILE A 66 12.762 4.077 -5.296 1.00 0.00 H new ATOM 0 HD13 ILE A 66 12.083 5.019 -3.948 1.00 0.00 H new ATOM 1032 N ARG A 67 9.139 3.478 -3.993 1.00 0.00 N ATOM 1033 CA ARG A 67 8.538 4.534 -4.865 1.00 0.00 C ATOM 1034 C ARG A 67 7.037 4.269 -5.192 1.00 0.00 C ATOM 1035 O ARG A 67 6.681 3.167 -5.606 1.00 0.00 O ATOM 1036 CB ARG A 67 9.397 4.530 -6.166 1.00 0.00 C ATOM 1037 CG ARG A 67 9.084 5.649 -7.179 1.00 0.00 C ATOM 1038 CD ARG A 67 9.909 5.532 -8.473 1.00 0.00 C ATOM 1039 NE ARG A 67 9.415 4.412 -9.311 1.00 0.00 N ATOM 1040 CZ ARG A 67 9.915 4.047 -10.478 1.00 0.00 C ATOM 1041 NH1 ARG A 67 10.920 4.631 -11.063 1.00 0.00 N ATOM 1042 NH2 ARG A 67 9.367 3.045 -11.075 1.00 0.00 N ATOM 0 H ARG A 67 8.914 2.525 -4.277 1.00 0.00 H new ATOM 0 HA ARG A 67 8.549 5.499 -4.358 1.00 0.00 H new ATOM 0 HB2 ARG A 67 10.448 4.603 -5.885 1.00 0.00 H new ATOM 0 HB3 ARG A 67 9.266 3.569 -6.663 1.00 0.00 H new ATOM 0 HG2 ARG A 67 8.023 5.622 -7.427 1.00 0.00 H new ATOM 0 HG3 ARG A 67 9.279 6.616 -6.716 1.00 0.00 H new ATOM 0 HD2 ARG A 67 9.850 6.465 -9.033 1.00 0.00 H new ATOM 0 HD3 ARG A 67 10.959 5.373 -8.227 1.00 0.00 H new ATOM 0 HE ARG A 67 8.622 3.878 -8.956 1.00 0.00 H new ATOM 0 HH11 ARG A 67 11.376 5.428 -10.618 1.00 0.00 H new ATOM 0 HH12 ARG A 67 11.252 4.292 -11.966 1.00 0.00 H new ATOM 0 HH21 ARG A 67 8.577 2.565 -10.645 1.00 0.00 H new ATOM 0 HH22 ARG A 67 9.724 2.732 -11.978 1.00 0.00 H new ATOM 1055 N LEU A 68 6.184 5.304 -5.125 1.00 0.00 N ATOM 1056 CA LEU A 68 4.889 5.321 -5.888 1.00 0.00 C ATOM 1057 C LEU A 68 5.132 5.956 -7.285 1.00 0.00 C ATOM 1058 O LEU A 68 5.579 7.104 -7.390 1.00 0.00 O ATOM 1059 CB LEU A 68 3.835 6.029 -5.009 1.00 0.00 C ATOM 1060 CG LEU A 68 2.364 5.980 -5.494 1.00 0.00 C ATOM 1061 CD1 LEU A 68 1.426 6.099 -4.275 1.00 0.00 C ATOM 1062 CD2 LEU A 68 2.014 7.112 -6.464 1.00 0.00 C ATOM 0 H LEU A 68 6.349 6.139 -4.562 1.00 0.00 H new ATOM 0 HA LEU A 68 4.499 4.325 -6.095 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.877 5.591 -4.012 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.124 7.075 -4.911 1.00 0.00 H new ATOM 0 HG LEU A 68 2.238 5.033 -6.019 1.00 0.00 H new ATOM 0 HD11 LEU A 68 0.389 6.065 -4.609 1.00 0.00 H new ATOM 0 HD12 LEU A 68 1.613 5.272 -3.590 1.00 0.00 H new ATOM 0 HD13 LEU A 68 1.612 7.044 -3.764 1.00 0.00 H new ATOM 0 HD21 LEU A 68 0.971 7.022 -6.767 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.168 8.073 -5.973 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.654 7.048 -7.344 1.00 0.00 H new ATOM 1074 N LEU A 69 4.881 5.197 -8.360 1.00 0.00 N ATOM 1075 CA LEU A 69 5.320 5.571 -9.737 1.00 0.00 C ATOM 1076 C LEU A 69 4.399 6.578 -10.503 1.00 0.00 C ATOM 1077 O LEU A 69 3.849 6.307 -11.569 1.00 0.00 O ATOM 1078 CB LEU A 69 5.749 4.303 -10.517 1.00 0.00 C ATOM 1079 CG LEU A 69 4.836 3.067 -10.588 1.00 0.00 C ATOM 1080 CD1 LEU A 69 3.520 3.310 -11.318 1.00 0.00 C ATOM 1081 CD2 LEU A 69 5.594 1.931 -11.299 1.00 0.00 C ATOM 0 H LEU A 69 4.374 4.313 -8.315 1.00 0.00 H new ATOM 0 HA LEU A 69 6.208 6.195 -9.634 1.00 0.00 H new ATOM 0 HB2 LEU A 69 5.948 4.612 -11.543 1.00 0.00 H new ATOM 0 HB3 LEU A 69 6.698 3.974 -10.094 1.00 0.00 H new ATOM 0 HG LEU A 69 4.580 2.808 -9.560 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.933 2.392 -11.325 1.00 0.00 H new ATOM 0 HD12 LEU A 69 2.960 4.094 -10.808 1.00 0.00 H new ATOM 0 HD13 LEU A 69 3.724 3.618 -12.343 1.00 0.00 H new ATOM 0 HD21 LEU A 69 4.957 1.048 -11.356 1.00 0.00 H new ATOM 0 HD22 LEU A 69 5.865 2.249 -12.306 1.00 0.00 H new ATOM 0 HD23 LEU A 69 6.498 1.691 -10.739 1.00 0.00 H new ATOM 1093 N GLN A 70 4.296 7.791 -9.945 1.00 0.00 N ATOM 1094 CA GLN A 70 3.589 8.956 -10.558 1.00 0.00 C ATOM 1095 C GLN A 70 2.020 8.912 -10.731 1.00 0.00 C ATOM 1096 O GLN A 70 1.435 9.849 -11.278 1.00 0.00 O ATOM 1097 CB GLN A 70 4.294 9.473 -11.843 1.00 0.00 C ATOM 1098 CG GLN A 70 5.797 9.807 -11.740 1.00 0.00 C ATOM 1099 CD GLN A 70 6.168 10.934 -10.794 1.00 0.00 C ATOM 1100 OE1 GLN A 70 6.031 12.112 -11.096 1.00 0.00 O ATOM 1101 NE2 GLN A 70 6.654 10.633 -9.617 1.00 0.00 N ATOM 0 H GLN A 70 4.705 8.009 -9.036 1.00 0.00 H new ATOM 0 HA GLN A 70 3.691 9.683 -9.752 1.00 0.00 H new ATOM 0 HB2 GLN A 70 4.168 8.721 -12.622 1.00 0.00 H new ATOM 0 HB3 GLN A 70 3.771 10.369 -12.177 1.00 0.00 H new ATOM 0 HG2 GLN A 70 6.327 8.908 -11.427 1.00 0.00 H new ATOM 0 HG3 GLN A 70 6.161 10.061 -12.736 1.00 0.00 H new ATOM 0 HE21 GLN A 70 6.775 9.656 -9.350 1.00 0.00 H new ATOM 0 HE22 GLN A 70 6.912 11.375 -8.967 1.00 0.00 H new ATOM 1110 N GLU A 71 1.347 7.896 -10.184 1.00 0.00 N ATOM 1111 CA GLU A 71 -0.140 7.782 -10.233 1.00 0.00 C ATOM 1112 C GLU A 71 -0.956 8.758 -9.305 1.00 0.00 C ATOM 1113 O GLU A 71 -2.120 9.017 -9.611 1.00 0.00 O ATOM 1114 CB GLU A 71 -0.479 6.282 -9.998 1.00 0.00 C ATOM 1115 CG GLU A 71 -1.932 5.898 -10.355 1.00 0.00 C ATOM 1116 CD GLU A 71 -2.239 4.421 -10.165 1.00 0.00 C ATOM 1117 OE1 GLU A 71 -2.721 3.959 -9.139 1.00 0.00 O ATOM 1118 OE2 GLU A 71 -1.942 3.678 -11.269 1.00 0.00 O ATOM 0 H GLU A 71 1.801 7.125 -9.694 1.00 0.00 H new ATOM 0 HA GLU A 71 -0.471 8.122 -11.214 1.00 0.00 H new ATOM 0 HB2 GLU A 71 0.202 5.670 -10.589 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -0.298 6.040 -8.951 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -2.615 6.484 -9.740 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -2.126 6.170 -11.393 1.00 0.00 H new ATOM 1126 N GLU A 72 -0.380 9.294 -8.213 1.00 0.00 N ATOM 1127 CA GLU A 72 -1.052 10.326 -7.377 1.00 0.00 C ATOM 1128 C GLU A 72 -0.952 11.777 -7.920 1.00 0.00 C ATOM 1129 O GLU A 72 -1.901 12.554 -7.942 1.00 0.00 O ATOM 1130 CB GLU A 72 -0.627 10.169 -5.899 1.00 0.00 C ATOM 1131 CG GLU A 72 0.743 10.709 -5.454 1.00 0.00 C ATOM 1132 CD GLU A 72 1.085 10.373 -4.002 1.00 0.00 C ATOM 1133 OE1 GLU A 72 1.917 9.536 -3.676 1.00 0.00 O ATOM 1134 OE2 GLU A 72 0.354 11.096 -3.108 1.00 0.00 O ATOM 0 H GLU A 72 0.549 9.034 -7.883 1.00 0.00 H new ATOM 0 HA GLU A 72 -2.124 10.137 -7.438 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -1.386 10.654 -5.285 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -0.655 9.106 -5.660 1.00 0.00 H new ATOM 0 HG2 GLU A 72 1.515 10.300 -6.105 1.00 0.00 H new ATOM 0 HG3 GLU A 72 0.758 11.791 -5.582 1.00 0.00 H new TER 1142 GLU A 72