USER MOD reduce.3.24.130724 H: found=0, std=0, add=357, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 358 hydrogens (1 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 29 GLN : amide:sc= -0.669 K(o=1.6,f=0.057) USER MOD Set 1.2: A 30 SER OG : rot -64:sc= 1.07 USER MOD Set 1.3: A 50 THR OG1 : rot -74:sc= 1.18 USER MOD Single : A 1 ASP N :NH3+ 172:sc= 0.847 (180deg=0.785) USER MOD Single : A 2 GLN : amide:sc= 2 K(o=2,f=-1.9!) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ -162:sc= 1.73 (180deg=0.889) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 LYS NZ :NH3+ -178:sc= 2.38 (180deg=2.27) USER MOD Single : A 18 LYS NZ :NH3+ -164:sc= 1.19 (180deg=1.06) USER MOD Single : A 20 GLN : amide:sc= -0.0307 K(o=-0.031,f=-0.99) USER MOD Single : A 26 SER OG : rot 73:sc= 0.793 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.275 USER MOD Single : A 35 TYR OH : rot -102:sc= 0.37 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 174:sc= 1.26 (180deg=1.05) USER MOD Single : A 42 GLN : amide:sc= 1 K(o=1,f=-0.0032) USER MOD Single : A 44 THR OG1 : rot -29:sc= 0.202 USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 12.313 -7.626 -0.649 1.00 0.00 N ATOM 2 CA ASP A 1 12.839 -6.601 0.272 1.00 0.00 C ATOM 3 C ASP A 1 12.299 -5.211 -0.049 1.00 0.00 C ATOM 4 O ASP A 1 11.794 -4.533 0.843 1.00 0.00 O ATOM 5 CB ASP A 1 14.369 -6.582 0.284 1.00 0.00 C ATOM 6 CG ASP A 1 14.866 -5.482 1.214 1.00 0.00 C ATOM 7 OD1 ASP A 1 14.829 -5.710 2.442 1.00 0.00 O ATOM 8 OD2 ASP A 1 15.212 -4.403 0.689 1.00 0.00 O ATOM 0 H1 ASP A 1 12.806 -8.527 -0.484 1.00 0.00 H new ATOM 0 H2 ASP A 1 11.294 -7.753 -0.482 1.00 0.00 H new ATOM 0 H3 ASP A 1 12.468 -7.322 -1.632 1.00 0.00 H new ATOM 0 HA ASP A 1 12.491 -6.876 1.268 1.00 0.00 H new ATOM 0 HB2 ASP A 1 14.751 -7.548 0.613 1.00 0.00 H new ATOM 0 HB3 ASP A 1 14.747 -6.416 -0.725 1.00 0.00 H new ATOM 15 N GLN A 2 12.416 -4.803 -1.319 1.00 0.00 N ATOM 16 CA GLN A 2 11.811 -3.592 -1.852 1.00 0.00 C ATOM 17 C GLN A 2 10.519 -4.003 -2.554 1.00 0.00 C ATOM 18 O GLN A 2 9.428 -3.659 -2.105 1.00 0.00 O ATOM 19 CB GLN A 2 12.785 -2.893 -2.813 1.00 0.00 C ATOM 20 CG GLN A 2 14.089 -2.464 -2.129 1.00 0.00 C ATOM 21 CD GLN A 2 13.841 -1.451 -1.017 1.00 0.00 C ATOM 22 OE1 GLN A 2 13.578 -0.285 -1.301 1.00 0.00 O ATOM 23 NE2 GLN A 2 13.922 -1.890 0.241 1.00 0.00 N ATOM 0 H GLN A 2 12.949 -5.324 -2.016 1.00 0.00 H new ATOM 0 HA GLN A 2 11.586 -2.879 -1.059 1.00 0.00 H new ATOM 0 HB2 GLN A 2 13.017 -3.564 -3.640 1.00 0.00 H new ATOM 0 HB3 GLN A 2 12.299 -2.016 -3.241 1.00 0.00 H new ATOM 0 HG2 GLN A 2 14.588 -3.341 -1.717 1.00 0.00 H new ATOM 0 HG3 GLN A 2 14.763 -2.033 -2.870 1.00 0.00 H new ATOM 0 HE21 GLN A 2 14.143 -2.868 0.427 1.00 0.00 H new ATOM 0 HE22 GLN A 2 13.762 -1.247 1.017 1.00 0.00 H new ATOM 32 N GLU A 3 10.658 -4.797 -3.621 1.00 0.00 N ATOM 33 CA GLU A 3 9.563 -5.529 -4.231 1.00 0.00 C ATOM 34 C GLU A 3 9.411 -6.828 -3.447 1.00 0.00 C ATOM 35 O GLU A 3 10.420 -7.399 -3.028 1.00 0.00 O ATOM 36 CB GLU A 3 9.865 -5.794 -5.711 1.00 0.00 C ATOM 37 CG GLU A 3 10.330 -4.532 -6.454 1.00 0.00 C ATOM 38 CD GLU A 3 9.386 -3.355 -6.237 1.00 0.00 C ATOM 39 OE1 GLU A 3 8.240 -3.450 -6.724 1.00 0.00 O ATOM 40 OE2 GLU A 3 9.817 -2.391 -5.567 1.00 0.00 O ATOM 0 H GLU A 3 11.553 -4.946 -4.087 1.00 0.00 H new ATOM 0 HA GLU A 3 8.633 -4.961 -4.198 1.00 0.00 H new ATOM 0 HB2 GLU A 3 10.635 -6.562 -5.789 1.00 0.00 H new ATOM 0 HB3 GLU A 3 8.972 -6.188 -6.195 1.00 0.00 H new ATOM 0 HG2 GLU A 3 11.330 -4.261 -6.115 1.00 0.00 H new ATOM 0 HG3 GLU A 3 10.402 -4.746 -7.520 1.00 0.00 H new ATOM 47 N SER A 4 8.168 -7.254 -3.187 1.00 0.00 N ATOM 48 CA SER A 4 7.863 -8.222 -2.140 1.00 0.00 C ATOM 49 C SER A 4 8.486 -7.712 -0.843 1.00 0.00 C ATOM 50 O SER A 4 9.474 -8.259 -0.355 1.00 0.00 O ATOM 51 CB SER A 4 8.323 -9.633 -2.524 1.00 0.00 C ATOM 52 OG SER A 4 7.697 -10.024 -3.729 1.00 0.00 O ATOM 0 H SER A 4 7.348 -6.933 -3.701 1.00 0.00 H new ATOM 0 HA SER A 4 6.786 -8.313 -2.000 1.00 0.00 H new ATOM 0 HB2 SER A 4 9.406 -9.654 -2.642 1.00 0.00 H new ATOM 0 HB3 SER A 4 8.075 -10.336 -1.729 1.00 0.00 H new ATOM 0 HG SER A 4 7.993 -10.925 -3.974 1.00 0.00 H new ATOM 58 N CYS A 5 7.939 -6.599 -0.341 1.00 0.00 N ATOM 59 CA CYS A 5 8.567 -5.797 0.693 1.00 0.00 C ATOM 60 C CYS A 5 8.559 -6.498 2.052 1.00 0.00 C ATOM 61 O CYS A 5 8.029 -7.598 2.198 1.00 0.00 O ATOM 62 CB CYS A 5 7.894 -4.419 0.758 1.00 0.00 C ATOM 63 SG CYS A 5 9.019 -3.068 1.196 1.00 0.00 S ATOM 0 H CYS A 5 7.038 -6.233 -0.650 1.00 0.00 H new ATOM 0 HA CYS A 5 9.616 -5.661 0.431 1.00 0.00 H new ATOM 0 HB2 CYS A 5 7.441 -4.201 -0.209 1.00 0.00 H new ATOM 0 HB3 CYS A 5 7.085 -4.455 1.488 1.00 0.00 H new ATOM 68 N LYS A 6 9.154 -5.850 3.055 1.00 0.00 N ATOM 69 CA LYS A 6 9.203 -6.319 4.430 1.00 0.00 C ATOM 70 C LYS A 6 7.835 -6.105 5.084 1.00 0.00 C ATOM 71 O LYS A 6 7.660 -5.202 5.900 1.00 0.00 O ATOM 72 CB LYS A 6 10.322 -5.564 5.158 1.00 0.00 C ATOM 73 CG LYS A 6 11.695 -5.922 4.569 1.00 0.00 C ATOM 74 CD LYS A 6 12.827 -5.089 5.185 1.00 0.00 C ATOM 75 CE LYS A 6 12.874 -3.639 4.679 1.00 0.00 C ATOM 76 NZ LYS A 6 13.157 -3.555 3.234 1.00 0.00 N ATOM 0 H LYS A 6 9.628 -4.957 2.923 1.00 0.00 H new ATOM 0 HA LYS A 6 9.424 -7.385 4.479 1.00 0.00 H new ATOM 0 HB2 LYS A 6 10.155 -4.490 5.076 1.00 0.00 H new ATOM 0 HB3 LYS A 6 10.302 -5.810 6.220 1.00 0.00 H new ATOM 0 HG2 LYS A 6 11.894 -6.981 4.735 1.00 0.00 H new ATOM 0 HG3 LYS A 6 11.677 -5.766 3.490 1.00 0.00 H new ATOM 0 HD2 LYS A 6 12.713 -5.082 6.269 1.00 0.00 H new ATOM 0 HD3 LYS A 6 13.780 -5.571 4.968 1.00 0.00 H new ATOM 0 HE2 LYS A 6 11.921 -3.153 4.888 1.00 0.00 H new ATOM 0 HE3 LYS A 6 13.639 -3.090 5.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 13.478 -2.594 2.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 13.900 -4.239 2.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 12.293 -3.773 2.698 1.00 0.00 H new ATOM 90 N GLY A 7 6.861 -6.937 4.700 1.00 0.00 N ATOM 91 CA GLY A 7 5.470 -6.799 5.103 1.00 0.00 C ATOM 92 C GLY A 7 4.884 -5.531 4.488 1.00 0.00 C ATOM 93 O GLY A 7 5.280 -5.138 3.391 1.00 0.00 O ATOM 0 H GLY A 7 7.027 -7.737 4.090 1.00 0.00 H new ATOM 0 HA2 GLY A 7 4.899 -7.670 4.780 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.398 -6.755 6.190 1.00 0.00 H new ATOM 97 N ARG A 8 3.984 -4.858 5.218 1.00 0.00 N ATOM 98 CA ARG A 8 3.582 -3.504 4.884 1.00 0.00 C ATOM 99 C ARG A 8 4.692 -2.570 5.354 1.00 0.00 C ATOM 100 O ARG A 8 4.621 -1.982 6.431 1.00 0.00 O ATOM 101 CB ARG A 8 2.222 -3.173 5.508 1.00 0.00 C ATOM 102 CG ARG A 8 1.742 -1.740 5.225 1.00 0.00 C ATOM 103 CD ARG A 8 1.715 -1.378 3.734 1.00 0.00 C ATOM 104 NE ARG A 8 3.021 -0.901 3.242 1.00 0.00 N ATOM 105 CZ ARG A 8 3.588 -1.197 2.057 1.00 0.00 C ATOM 106 NH1 ARG A 8 3.067 -2.126 1.244 1.00 0.00 N ATOM 107 NH2 ARG A 8 4.700 -0.554 1.682 1.00 0.00 N ATOM 0 H ARG A 8 3.525 -5.240 6.045 1.00 0.00 H new ATOM 0 HA ARG A 8 3.448 -3.385 3.809 1.00 0.00 H new ATOM 0 HB2 ARG A 8 1.479 -3.876 5.131 1.00 0.00 H new ATOM 0 HB3 ARG A 8 2.282 -3.320 6.586 1.00 0.00 H new ATOM 0 HG2 ARG A 8 0.741 -1.614 5.638 1.00 0.00 H new ATOM 0 HG3 ARG A 8 2.393 -1.039 5.748 1.00 0.00 H new ATOM 0 HD2 ARG A 8 1.411 -2.252 3.157 1.00 0.00 H new ATOM 0 HD3 ARG A 8 0.964 -0.607 3.565 1.00 0.00 H new ATOM 0 HE ARG A 8 3.548 -0.285 3.862 1.00 0.00 H new ATOM 0 HH11 ARG A 8 2.222 -2.627 1.518 1.00 0.00 H new ATOM 0 HH12 ARG A 8 3.515 -2.332 0.351 1.00 0.00 H new ATOM 0 HH21 ARG A 8 5.111 0.153 2.292 1.00 0.00 H new ATOM 0 HH22 ARG A 8 5.137 -0.771 0.786 1.00 0.00 H new ATOM 121 N CYS A 9 5.735 -2.470 4.531 1.00 0.00 N ATOM 122 CA CYS A 9 6.936 -1.715 4.833 1.00 0.00 C ATOM 123 C CYS A 9 6.699 -0.214 4.659 1.00 0.00 C ATOM 124 O CYS A 9 5.598 0.214 4.311 1.00 0.00 O ATOM 125 CB CYS A 9 8.051 -2.212 3.918 1.00 0.00 C ATOM 126 SG CYS A 9 7.837 -1.737 2.187 1.00 0.00 S ATOM 0 H CYS A 9 5.763 -2.924 3.618 1.00 0.00 H new ATOM 0 HA CYS A 9 7.221 -1.868 5.874 1.00 0.00 H new ATOM 0 HB2 CYS A 9 9.004 -1.823 4.277 1.00 0.00 H new ATOM 0 HB3 CYS A 9 8.105 -3.299 3.983 1.00 0.00 H new ATOM 131 N THR A 10 7.747 0.575 4.918 1.00 0.00 N ATOM 132 CA THR A 10 7.727 2.028 4.849 1.00 0.00 C ATOM 133 C THR A 10 8.850 2.552 3.946 1.00 0.00 C ATOM 134 O THR A 10 9.157 3.741 3.993 1.00 0.00 O ATOM 135 CB THR A 10 7.847 2.589 6.274 1.00 0.00 C ATOM 136 OG1 THR A 10 9.012 2.080 6.890 1.00 0.00 O ATOM 137 CG2 THR A 10 6.625 2.222 7.122 1.00 0.00 C ATOM 0 H THR A 10 8.657 0.202 5.189 1.00 0.00 H new ATOM 0 HA THR A 10 6.787 2.361 4.409 1.00 0.00 H new ATOM 0 HB THR A 10 7.905 3.675 6.204 1.00 0.00 H new ATOM 0 HG1 THR A 10 9.086 2.441 7.798 1.00 0.00 H new ATOM 0 HG21 THR A 10 6.741 2.634 8.125 1.00 0.00 H new ATOM 0 HG22 THR A 10 5.726 2.633 6.662 1.00 0.00 H new ATOM 0 HG23 THR A 10 6.537 1.137 7.183 1.00 0.00 H new ATOM 145 N GLU A 11 9.461 1.684 3.127 1.00 0.00 N ATOM 146 CA GLU A 11 10.591 2.045 2.283 1.00 0.00 C ATOM 147 C GLU A 11 10.704 1.116 1.070 1.00 0.00 C ATOM 148 O GLU A 11 11.803 0.879 0.576 1.00 0.00 O ATOM 149 CB GLU A 11 11.878 2.084 3.131 1.00 0.00 C ATOM 150 CG GLU A 11 12.094 0.860 4.036 1.00 0.00 C ATOM 151 CD GLU A 11 12.222 -0.448 3.262 1.00 0.00 C ATOM 152 OE1 GLU A 11 13.352 -0.750 2.819 1.00 0.00 O ATOM 153 OE2 GLU A 11 11.192 -1.144 3.138 1.00 0.00 O ATOM 0 H GLU A 11 9.178 0.708 3.037 1.00 0.00 H new ATOM 0 HA GLU A 11 10.432 3.043 1.876 1.00 0.00 H new ATOM 0 HB2 GLU A 11 12.734 2.179 2.462 1.00 0.00 H new ATOM 0 HB3 GLU A 11 11.859 2.979 3.753 1.00 0.00 H new ATOM 0 HG2 GLU A 11 12.994 1.011 4.631 1.00 0.00 H new ATOM 0 HG3 GLU A 11 11.260 0.781 4.734 1.00 0.00 H new ATOM 160 N GLY A 12 9.574 0.604 0.572 1.00 0.00 N ATOM 161 CA GLY A 12 9.553 -0.274 -0.582 1.00 0.00 C ATOM 162 C GLY A 12 9.751 0.561 -1.833 1.00 0.00 C ATOM 163 O GLY A 12 8.790 1.156 -2.309 1.00 0.00 O ATOM 0 H GLY A 12 8.652 0.792 0.965 1.00 0.00 H new ATOM 0 HA2 GLY A 12 10.340 -1.024 -0.500 1.00 0.00 H new ATOM 0 HA3 GLY A 12 8.605 -0.810 -0.632 1.00 0.00 H new ATOM 167 N PHE A 13 10.996 0.632 -2.323 1.00 0.00 N ATOM 168 CA PHE A 13 11.459 1.582 -3.328 1.00 0.00 C ATOM 169 C PHE A 13 11.568 2.981 -2.707 1.00 0.00 C ATOM 170 O PHE A 13 11.096 3.204 -1.592 1.00 0.00 O ATOM 171 CB PHE A 13 10.604 1.523 -4.609 1.00 0.00 C ATOM 172 CG PHE A 13 11.140 2.349 -5.759 1.00 0.00 C ATOM 173 CD1 PHE A 13 12.337 1.978 -6.395 1.00 0.00 C ATOM 174 CD2 PHE A 13 10.509 3.558 -6.104 1.00 0.00 C ATOM 175 CE1 PHE A 13 12.908 2.819 -7.364 1.00 0.00 C ATOM 176 CE2 PHE A 13 11.084 4.400 -7.069 1.00 0.00 C ATOM 177 CZ PHE A 13 12.284 4.033 -7.698 1.00 0.00 C ATOM 0 H PHE A 13 11.734 0.000 -2.013 1.00 0.00 H new ATOM 0 HA PHE A 13 12.461 1.304 -3.656 1.00 0.00 H new ATOM 0 HB2 PHE A 13 10.524 0.484 -4.930 1.00 0.00 H new ATOM 0 HB3 PHE A 13 9.595 1.862 -4.374 1.00 0.00 H new ATOM 0 HD1 PHE A 13 12.818 1.046 -6.138 1.00 0.00 H new ATOM 0 HD2 PHE A 13 9.582 3.839 -5.626 1.00 0.00 H new ATOM 0 HE1 PHE A 13 13.827 2.533 -7.853 1.00 0.00 H new ATOM 0 HE2 PHE A 13 10.602 5.331 -7.328 1.00 0.00 H new ATOM 0 HZ PHE A 13 12.727 4.683 -8.438 1.00 0.00 H new ATOM 187 N ASN A 14 12.230 3.906 -3.416 1.00 0.00 N ATOM 188 CA ASN A 14 12.500 5.272 -2.978 1.00 0.00 C ATOM 189 C ASN A 14 11.265 5.913 -2.350 1.00 0.00 C ATOM 190 O ASN A 14 11.309 6.335 -1.196 1.00 0.00 O ATOM 191 CB ASN A 14 13.006 6.096 -4.166 1.00 0.00 C ATOM 192 CG ASN A 14 13.234 7.553 -3.778 1.00 0.00 C ATOM 193 OD1 ASN A 14 12.481 8.431 -4.191 1.00 0.00 O ATOM 194 ND2 ASN A 14 14.272 7.813 -2.983 1.00 0.00 N ATOM 0 H ASN A 14 12.604 3.710 -4.345 1.00 0.00 H new ATOM 0 HA ASN A 14 13.270 5.246 -2.207 1.00 0.00 H new ATOM 0 HB2 ASN A 14 13.937 5.667 -4.538 1.00 0.00 H new ATOM 0 HB3 ASN A 14 12.284 6.044 -4.981 1.00 0.00 H new ATOM 0 HD21 ASN A 14 14.466 8.772 -2.695 1.00 0.00 H new ATOM 0 HD22 ASN A 14 14.872 7.053 -2.663 1.00 0.00 H new ATOM 201 N VAL A 15 10.161 5.942 -3.103 1.00 0.00 N ATOM 202 CA VAL A 15 8.838 6.202 -2.569 1.00 0.00 C ATOM 203 C VAL A 15 8.219 4.852 -2.206 1.00 0.00 C ATOM 204 O VAL A 15 8.257 3.923 -3.011 1.00 0.00 O ATOM 205 CB VAL A 15 8.004 7.021 -3.569 1.00 0.00 C ATOM 206 CG1 VAL A 15 7.844 6.359 -4.944 1.00 0.00 C ATOM 207 CG2 VAL A 15 6.626 7.332 -2.975 1.00 0.00 C ATOM 0 H VAL A 15 10.170 5.783 -4.110 1.00 0.00 H new ATOM 0 HA VAL A 15 8.878 6.814 -1.668 1.00 0.00 H new ATOM 0 HB VAL A 15 8.562 7.941 -3.740 1.00 0.00 H new ATOM 0 HG11 VAL A 15 7.244 7.000 -5.589 1.00 0.00 H new ATOM 0 HG12 VAL A 15 8.826 6.210 -5.393 1.00 0.00 H new ATOM 0 HG13 VAL A 15 7.348 5.395 -4.828 1.00 0.00 H new ATOM 0 HG21 VAL A 15 6.044 7.912 -3.691 1.00 0.00 H new ATOM 0 HG22 VAL A 15 6.106 6.400 -2.755 1.00 0.00 H new ATOM 0 HG23 VAL A 15 6.747 7.906 -2.056 1.00 0.00 H new ATOM 217 N ASP A 16 7.688 4.737 -0.984 1.00 0.00 N ATOM 218 CA ASP A 16 7.160 3.488 -0.463 1.00 0.00 C ATOM 219 C ASP A 16 5.920 3.056 -1.245 1.00 0.00 C ATOM 220 O ASP A 16 5.120 3.895 -1.659 1.00 0.00 O ATOM 221 CB ASP A 16 6.841 3.638 1.027 1.00 0.00 C ATOM 222 CG ASP A 16 6.287 2.344 1.616 1.00 0.00 C ATOM 223 OD1 ASP A 16 6.939 1.296 1.420 1.00 0.00 O ATOM 224 OD2 ASP A 16 5.215 2.417 2.254 1.00 0.00 O ATOM 0 H ASP A 16 7.616 5.517 -0.331 1.00 0.00 H new ATOM 0 HA ASP A 16 7.915 2.711 -0.581 1.00 0.00 H new ATOM 0 HB2 ASP A 16 7.744 3.926 1.566 1.00 0.00 H new ATOM 0 HB3 ASP A 16 6.117 4.441 1.166 1.00 0.00 H new ATOM 229 N LYS A 17 5.763 1.741 -1.425 1.00 0.00 N ATOM 230 CA LYS A 17 4.632 1.148 -2.122 1.00 0.00 C ATOM 231 C LYS A 17 3.401 1.127 -1.215 1.00 0.00 C ATOM 232 O LYS A 17 2.955 0.064 -0.785 1.00 0.00 O ATOM 233 CB LYS A 17 4.997 -0.257 -2.615 1.00 0.00 C ATOM 234 CG LYS A 17 6.003 -0.206 -3.771 1.00 0.00 C ATOM 235 CD LYS A 17 6.606 -1.582 -4.067 1.00 0.00 C ATOM 236 CE LYS A 17 5.542 -2.578 -4.538 1.00 0.00 C ATOM 237 NZ LYS A 17 6.145 -3.865 -4.913 1.00 0.00 N ATOM 0 H LYS A 17 6.433 1.052 -1.082 1.00 0.00 H new ATOM 0 HA LYS A 17 4.388 1.755 -2.994 1.00 0.00 H new ATOM 0 HB2 LYS A 17 5.417 -0.834 -1.791 1.00 0.00 H new ATOM 0 HB3 LYS A 17 4.095 -0.775 -2.940 1.00 0.00 H new ATOM 0 HG2 LYS A 17 5.509 0.173 -4.665 1.00 0.00 H new ATOM 0 HG3 LYS A 17 6.801 0.495 -3.526 1.00 0.00 H new ATOM 0 HD2 LYS A 17 7.377 -1.485 -4.831 1.00 0.00 H new ATOM 0 HD3 LYS A 17 7.093 -1.966 -3.171 1.00 0.00 H new ATOM 0 HE2 LYS A 17 4.810 -2.734 -3.745 1.00 0.00 H new ATOM 0 HE3 LYS A 17 5.005 -2.163 -5.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 5.404 -4.507 -5.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 6.850 -3.713 -5.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 6.608 -4.287 -4.083 1.00 0.00 H new ATOM 251 N LYS A 18 2.828 2.306 -0.955 1.00 0.00 N ATOM 252 CA LYS A 18 1.588 2.467 -0.215 1.00 0.00 C ATOM 253 C LYS A 18 0.425 2.191 -1.167 1.00 0.00 C ATOM 254 O LYS A 18 -0.295 3.101 -1.575 1.00 0.00 O ATOM 255 CB LYS A 18 1.526 3.868 0.406 1.00 0.00 C ATOM 256 CG LYS A 18 2.714 4.077 1.347 1.00 0.00 C ATOM 257 CD LYS A 18 2.536 5.354 2.173 1.00 0.00 C ATOM 258 CE LYS A 18 3.813 5.712 2.939 1.00 0.00 C ATOM 259 NZ LYS A 18 4.301 4.601 3.778 1.00 0.00 N ATOM 0 H LYS A 18 3.229 3.192 -1.264 1.00 0.00 H new ATOM 0 HA LYS A 18 1.529 1.760 0.612 1.00 0.00 H new ATOM 0 HB2 LYS A 18 1.537 4.624 -0.380 1.00 0.00 H new ATOM 0 HB3 LYS A 18 0.592 3.991 0.954 1.00 0.00 H new ATOM 0 HG2 LYS A 18 2.812 3.219 2.012 1.00 0.00 H new ATOM 0 HG3 LYS A 18 3.636 4.138 0.768 1.00 0.00 H new ATOM 0 HD2 LYS A 18 2.262 6.179 1.515 1.00 0.00 H new ATOM 0 HD3 LYS A 18 1.714 5.221 2.876 1.00 0.00 H new ATOM 0 HE2 LYS A 18 4.590 5.995 2.230 1.00 0.00 H new ATOM 0 HE3 LYS A 18 3.623 6.582 3.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 4.988 4.964 4.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 3.500 4.168 4.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 4.759 3.887 3.176 1.00 0.00 H new ATOM 273 N CYS A 19 0.295 0.917 -1.544 1.00 0.00 N ATOM 274 CA CYS A 19 -0.531 0.440 -2.639 1.00 0.00 C ATOM 275 C CYS A 19 -0.187 1.160 -3.944 1.00 0.00 C ATOM 276 O CYS A 19 -1.056 1.723 -4.608 1.00 0.00 O ATOM 277 CB CYS A 19 -2.028 0.479 -2.304 1.00 0.00 C ATOM 278 SG CYS A 19 -3.061 -0.377 -3.524 1.00 0.00 S ATOM 0 H CYS A 19 0.788 0.161 -1.068 1.00 0.00 H new ATOM 0 HA CYS A 19 -0.299 -0.614 -2.791 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -2.186 0.027 -1.325 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -2.350 1.518 -2.231 1.00 0.00 H new ATOM 283 N GLN A 20 1.089 1.090 -4.338 1.00 0.00 N ATOM 284 CA GLN A 20 1.523 1.418 -5.689 1.00 0.00 C ATOM 285 C GLN A 20 1.445 0.120 -6.489 1.00 0.00 C ATOM 286 O GLN A 20 2.460 -0.436 -6.903 1.00 0.00 O ATOM 287 CB GLN A 20 2.933 2.013 -5.656 1.00 0.00 C ATOM 288 CG GLN A 20 2.940 3.351 -4.906 1.00 0.00 C ATOM 289 CD GLN A 20 4.323 3.999 -4.893 1.00 0.00 C ATOM 290 OE1 GLN A 20 5.342 3.320 -5.006 1.00 0.00 O ATOM 291 NE2 GLN A 20 4.359 5.325 -4.757 1.00 0.00 N ATOM 0 H GLN A 20 1.849 0.802 -3.721 1.00 0.00 H new ATOM 0 HA GLN A 20 0.893 2.174 -6.157 1.00 0.00 H new ATOM 0 HB2 GLN A 20 3.616 1.315 -5.171 1.00 0.00 H new ATOM 0 HB3 GLN A 20 3.295 2.159 -6.674 1.00 0.00 H new ATOM 0 HG2 GLN A 20 2.227 4.031 -5.373 1.00 0.00 H new ATOM 0 HG3 GLN A 20 2.605 3.192 -3.881 1.00 0.00 H new ATOM 0 HE21 GLN A 20 3.491 5.852 -4.666 1.00 0.00 H new ATOM 0 HE22 GLN A 20 5.255 5.812 -4.744 1.00 0.00 H new ATOM 300 N CYS A 21 0.212 -0.384 -6.623 1.00 0.00 N ATOM 301 CA CYS A 21 -0.104 -1.767 -6.946 1.00 0.00 C ATOM 302 C CYS A 21 0.766 -2.733 -6.137 1.00 0.00 C ATOM 303 O CYS A 21 1.465 -3.579 -6.691 1.00 0.00 O ATOM 304 CB CYS A 21 -0.068 -2.024 -8.456 1.00 0.00 C ATOM 305 SG CYS A 21 -0.648 -3.672 -8.965 1.00 0.00 S ATOM 0 H CYS A 21 -0.622 0.191 -6.503 1.00 0.00 H new ATOM 0 HA CYS A 21 -1.134 -1.960 -6.646 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -0.679 -1.270 -8.953 1.00 0.00 H new ATOM 0 HB3 CYS A 21 0.955 -1.889 -8.809 1.00 0.00 H new ATOM 310 N ASP A 22 0.728 -2.584 -4.808 1.00 0.00 N ATOM 311 CA ASP A 22 1.491 -3.413 -3.893 1.00 0.00 C ATOM 312 C ASP A 22 0.893 -4.819 -3.834 1.00 0.00 C ATOM 313 O ASP A 22 -0.255 -5.012 -3.432 1.00 0.00 O ATOM 314 CB ASP A 22 1.551 -2.758 -2.514 1.00 0.00 C ATOM 315 CG ASP A 22 2.480 -3.519 -1.575 1.00 0.00 C ATOM 316 OD1 ASP A 22 2.041 -4.571 -1.068 1.00 0.00 O ATOM 317 OD2 ASP A 22 3.609 -3.025 -1.361 1.00 0.00 O ATOM 0 H ASP A 22 0.160 -1.877 -4.342 1.00 0.00 H new ATOM 0 HA ASP A 22 2.515 -3.507 -4.256 1.00 0.00 H new ATOM 0 HB2 ASP A 22 1.896 -1.729 -2.613 1.00 0.00 H new ATOM 0 HB3 ASP A 22 0.550 -2.719 -2.085 1.00 0.00 H new ATOM 322 N GLU A 23 1.700 -5.794 -4.254 1.00 0.00 N ATOM 323 CA GLU A 23 1.343 -7.199 -4.313 1.00 0.00 C ATOM 324 C GLU A 23 1.008 -7.762 -2.931 1.00 0.00 C ATOM 325 O GLU A 23 0.032 -8.498 -2.795 1.00 0.00 O ATOM 326 CB GLU A 23 2.440 -8.000 -5.038 1.00 0.00 C ATOM 327 CG GLU A 23 3.836 -8.032 -4.385 1.00 0.00 C ATOM 328 CD GLU A 23 4.586 -6.700 -4.427 1.00 0.00 C ATOM 329 OE1 GLU A 23 4.299 -5.903 -5.346 1.00 0.00 O ATOM 330 OE2 GLU A 23 5.445 -6.490 -3.543 1.00 0.00 O ATOM 0 H GLU A 23 2.652 -5.614 -4.572 1.00 0.00 H new ATOM 0 HA GLU A 23 0.429 -7.298 -4.898 1.00 0.00 H new ATOM 0 HB2 GLU A 23 2.093 -9.028 -5.145 1.00 0.00 H new ATOM 0 HB3 GLU A 23 2.547 -7.593 -6.044 1.00 0.00 H new ATOM 0 HG2 GLU A 23 3.730 -8.342 -3.345 1.00 0.00 H new ATOM 0 HG3 GLU A 23 4.439 -8.790 -4.884 1.00 0.00 H new ATOM 337 N LEU A 24 1.795 -7.416 -1.905 1.00 0.00 N ATOM 338 CA LEU A 24 1.608 -7.958 -0.567 1.00 0.00 C ATOM 339 C LEU A 24 0.295 -7.478 0.038 1.00 0.00 C ATOM 340 O LEU A 24 -0.392 -8.262 0.683 1.00 0.00 O ATOM 341 CB LEU A 24 2.786 -7.613 0.349 1.00 0.00 C ATOM 342 CG LEU A 24 4.142 -8.140 -0.147 1.00 0.00 C ATOM 343 CD1 LEU A 24 5.181 -7.888 0.946 1.00 0.00 C ATOM 344 CD2 LEU A 24 4.119 -9.639 -0.467 1.00 0.00 C ATOM 0 H LEU A 24 2.571 -6.758 -1.984 1.00 0.00 H new ATOM 0 HA LEU A 24 1.566 -9.043 -0.657 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.846 -6.530 0.454 1.00 0.00 H new ATOM 0 HB3 LEU A 24 2.592 -8.019 1.342 1.00 0.00 H new ATOM 0 HG LEU A 24 4.385 -7.616 -1.071 1.00 0.00 H new ATOM 0 HD11 LEU A 24 6.153 -8.255 0.616 1.00 0.00 H new ATOM 0 HD12 LEU A 24 5.246 -6.819 1.147 1.00 0.00 H new ATOM 0 HD13 LEU A 24 4.886 -8.411 1.856 1.00 0.00 H new ATOM 0 HD21 LEU A 24 5.104 -9.952 -0.812 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.854 -10.199 0.430 1.00 0.00 H new ATOM 0 HD23 LEU A 24 3.383 -9.833 -1.247 1.00 0.00 H new ATOM 356 N CYS A 25 -0.063 -6.210 -0.177 1.00 0.00 N ATOM 357 CA CYS A 25 -1.338 -5.664 0.261 1.00 0.00 C ATOM 358 C CYS A 25 -2.504 -6.399 -0.396 1.00 0.00 C ATOM 359 O CYS A 25 -3.509 -6.677 0.258 1.00 0.00 O ATOM 360 CB CYS A 25 -1.406 -4.174 -0.049 1.00 0.00 C ATOM 361 SG CYS A 25 -0.358 -3.162 1.014 1.00 0.00 S ATOM 0 H CYS A 25 0.529 -5.536 -0.662 1.00 0.00 H new ATOM 0 HA CYS A 25 -1.417 -5.804 1.339 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -1.116 -4.015 -1.088 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -2.439 -3.839 0.049 1.00 0.00 H new ATOM 366 N SER A 26 -2.367 -6.722 -1.687 1.00 0.00 N ATOM 367 CA SER A 26 -3.390 -7.459 -2.406 1.00 0.00 C ATOM 368 C SER A 26 -3.558 -8.864 -1.822 1.00 0.00 C ATOM 369 O SER A 26 -4.682 -9.339 -1.685 1.00 0.00 O ATOM 370 CB SER A 26 -3.064 -7.512 -3.897 1.00 0.00 C ATOM 371 OG SER A 26 -2.786 -6.223 -4.404 1.00 0.00 O ATOM 0 H SER A 26 -1.551 -6.480 -2.249 1.00 0.00 H new ATOM 0 HA SER A 26 -4.340 -6.937 -2.289 1.00 0.00 H new ATOM 0 HB2 SER A 26 -2.206 -8.164 -4.062 1.00 0.00 H new ATOM 0 HB3 SER A 26 -3.903 -7.947 -4.440 1.00 0.00 H new ATOM 0 HG SER A 26 -1.909 -5.927 -4.083 1.00 0.00 H new ATOM 377 N TYR A 27 -2.449 -9.522 -1.463 1.00 0.00 N ATOM 378 CA TYR A 27 -2.476 -10.850 -0.864 1.00 0.00 C ATOM 379 C TYR A 27 -3.055 -10.804 0.553 1.00 0.00 C ATOM 380 O TYR A 27 -3.815 -11.692 0.931 1.00 0.00 O ATOM 381 CB TYR A 27 -1.069 -11.460 -0.858 1.00 0.00 C ATOM 382 CG TYR A 27 -0.341 -11.506 -2.193 1.00 0.00 C ATOM 383 CD1 TYR A 27 -1.041 -11.573 -3.414 1.00 0.00 C ATOM 384 CD2 TYR A 27 1.066 -11.505 -2.202 1.00 0.00 C ATOM 385 CE1 TYR A 27 -0.338 -11.599 -4.630 1.00 0.00 C ATOM 386 CE2 TYR A 27 1.768 -11.531 -3.417 1.00 0.00 C ATOM 387 CZ TYR A 27 1.066 -11.584 -4.632 1.00 0.00 C ATOM 388 OH TYR A 27 1.743 -11.622 -5.815 1.00 0.00 O ATOM 0 H TYR A 27 -1.510 -9.143 -1.582 1.00 0.00 H new ATOM 0 HA TYR A 27 -3.126 -11.483 -1.468 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -0.456 -10.896 -0.155 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -1.140 -12.477 -0.474 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -2.121 -11.604 -3.415 1.00 0.00 H new ATOM 0 HD2 TYR A 27 1.609 -11.484 -1.269 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -0.878 -11.631 -5.565 1.00 0.00 H new ATOM 0 HE2 TYR A 27 2.848 -11.510 -3.418 1.00 0.00 H new ATOM 0 HH TYR A 27 2.707 -11.604 -5.641 1.00 0.00 H new ATOM 398 N TYR A 28 -2.701 -9.766 1.321 1.00 0.00 N ATOM 399 CA TYR A 28 -3.237 -9.489 2.649 1.00 0.00 C ATOM 400 C TYR A 28 -4.763 -9.468 2.583 1.00 0.00 C ATOM 401 O TYR A 28 -5.410 -10.229 3.300 1.00 0.00 O ATOM 402 CB TYR A 28 -2.631 -8.181 3.184 1.00 0.00 C ATOM 403 CG TYR A 28 -3.507 -7.355 4.107 1.00 0.00 C ATOM 404 CD1 TYR A 28 -3.968 -7.895 5.320 1.00 0.00 C ATOM 405 CD2 TYR A 28 -3.859 -6.039 3.751 1.00 0.00 C ATOM 406 CE1 TYR A 28 -4.799 -7.133 6.159 1.00 0.00 C ATOM 407 CE2 TYR A 28 -4.676 -5.274 4.598 1.00 0.00 C ATOM 408 CZ TYR A 28 -5.156 -5.824 5.796 1.00 0.00 C ATOM 409 OH TYR A 28 -5.973 -5.090 6.606 1.00 0.00 O ATOM 0 H TYR A 28 -2.011 -9.077 1.021 1.00 0.00 H new ATOM 0 HA TYR A 28 -2.961 -10.274 3.354 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -1.711 -8.424 3.715 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -2.353 -7.560 2.332 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -3.683 -8.896 5.608 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -3.500 -5.617 2.824 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -5.164 -7.555 7.084 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -4.935 -4.261 4.327 1.00 0.00 H new ATOM 0 HH TYR A 28 -6.120 -4.206 6.208 1.00 0.00 H new ATOM 419 N GLN A 29 -5.325 -8.645 1.692 1.00 0.00 N ATOM 420 CA GLN A 29 -6.711 -8.782 1.268 1.00 0.00 C ATOM 421 C GLN A 29 -6.958 -8.020 -0.031 1.00 0.00 C ATOM 422 O GLN A 29 -7.459 -8.613 -0.984 1.00 0.00 O ATOM 423 CB GLN A 29 -7.729 -8.475 2.385 1.00 0.00 C ATOM 424 CG GLN A 29 -7.477 -7.224 3.238 1.00 0.00 C ATOM 425 CD GLN A 29 -7.833 -5.925 2.527 1.00 0.00 C ATOM 426 OE1 GLN A 29 -6.970 -5.082 2.297 1.00 0.00 O ATOM 427 NE2 GLN A 29 -9.110 -5.761 2.178 1.00 0.00 N ATOM 0 H GLN A 29 -4.830 -7.871 1.250 1.00 0.00 H new ATOM 0 HA GLN A 29 -6.884 -9.836 1.049 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -8.714 -8.380 1.928 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -7.769 -9.336 3.052 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -8.058 -7.297 4.157 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -6.426 -7.196 3.526 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -9.794 -6.488 2.389 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -9.403 -4.909 1.700 1.00 0.00 H new ATOM 436 N SER A 30 -6.607 -6.729 -0.091 1.00 0.00 N ATOM 437 CA SER A 30 -6.932 -5.894 -1.236 1.00 0.00 C ATOM 438 C SER A 30 -5.930 -4.762 -1.418 1.00 0.00 C ATOM 439 O SER A 30 -5.383 -4.239 -0.448 1.00 0.00 O ATOM 440 CB SER A 30 -8.330 -5.297 -1.080 1.00 0.00 C ATOM 441 OG SER A 30 -9.289 -6.296 -0.809 1.00 0.00 O ATOM 0 H SER A 30 -6.096 -6.246 0.648 1.00 0.00 H new ATOM 0 HA SER A 30 -6.894 -6.535 -2.117 1.00 0.00 H new ATOM 0 HB2 SER A 30 -8.327 -4.565 -0.272 1.00 0.00 H new ATOM 0 HB3 SER A 30 -8.604 -4.765 -1.991 1.00 0.00 H new ATOM 0 HG SER A 30 -9.355 -6.903 -1.576 1.00 0.00 H new ATOM 447 N CYS A 31 -5.747 -4.373 -2.684 1.00 0.00 N ATOM 448 CA CYS A 31 -4.979 -3.219 -3.116 1.00 0.00 C ATOM 449 C CYS A 31 -5.006 -3.142 -4.639 1.00 0.00 C ATOM 450 O CYS A 31 -5.288 -2.076 -5.182 1.00 0.00 O ATOM 451 CB CYS A 31 -3.541 -3.255 -2.588 1.00 0.00 C ATOM 452 SG CYS A 31 -2.351 -2.299 -3.561 1.00 0.00 S ATOM 0 H CYS A 31 -6.154 -4.885 -3.467 1.00 0.00 H new ATOM 0 HA CYS A 31 -5.437 -2.322 -2.699 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -3.535 -2.881 -1.564 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -3.208 -4.292 -2.551 1.00 0.00 H new ATOM 457 N CYS A 32 -4.693 -4.254 -5.318 1.00 0.00 N ATOM 458 CA CYS A 32 -4.518 -4.266 -6.762 1.00 0.00 C ATOM 459 C CYS A 32 -5.078 -5.535 -7.395 1.00 0.00 C ATOM 460 O CYS A 32 -6.065 -5.465 -8.126 1.00 0.00 O ATOM 461 CB CYS A 32 -3.036 -4.072 -7.086 1.00 0.00 C ATOM 462 SG CYS A 32 -2.696 -3.622 -8.806 1.00 0.00 S ATOM 0 H CYS A 32 -4.556 -5.163 -4.876 1.00 0.00 H new ATOM 0 HA CYS A 32 -5.087 -3.442 -7.194 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -2.633 -3.297 -6.434 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -2.502 -4.993 -6.853 1.00 0.00 H new ATOM 467 N THR A 33 -4.437 -6.684 -7.149 1.00 0.00 N ATOM 468 CA THR A 33 -4.728 -7.910 -7.883 1.00 0.00 C ATOM 469 C THR A 33 -6.116 -8.451 -7.535 1.00 0.00 C ATOM 470 O THR A 33 -6.811 -8.955 -8.416 1.00 0.00 O ATOM 471 CB THR A 33 -3.626 -8.960 -7.677 1.00 0.00 C ATOM 472 OG1 THR A 33 -3.563 -9.380 -6.333 1.00 0.00 O ATOM 473 CG2 THR A 33 -2.255 -8.427 -8.104 1.00 0.00 C ATOM 0 H THR A 33 -3.709 -6.785 -6.441 1.00 0.00 H new ATOM 0 HA THR A 33 -4.740 -7.669 -8.946 1.00 0.00 H new ATOM 0 HB THR A 33 -3.884 -9.812 -8.305 1.00 0.00 H new ATOM 0 HG1 THR A 33 -2.854 -10.049 -6.232 1.00 0.00 H new ATOM 0 HG21 THR A 33 -1.500 -9.196 -7.944 1.00 0.00 H new ATOM 0 HG22 THR A 33 -2.282 -8.158 -9.160 1.00 0.00 H new ATOM 0 HG23 THR A 33 -2.007 -7.546 -7.512 1.00 0.00 H new ATOM 481 N ASP A 34 -6.528 -8.321 -6.267 1.00 0.00 N ATOM 482 CA ASP A 34 -7.882 -8.643 -5.840 1.00 0.00 C ATOM 483 C ASP A 34 -8.841 -7.624 -6.455 1.00 0.00 C ATOM 484 O ASP A 34 -9.633 -7.966 -7.331 1.00 0.00 O ATOM 485 CB ASP A 34 -7.946 -8.649 -4.308 1.00 0.00 C ATOM 486 CG ASP A 34 -9.364 -8.854 -3.786 1.00 0.00 C ATOM 487 OD1 ASP A 34 -10.088 -9.685 -4.374 1.00 0.00 O ATOM 488 OD2 ASP A 34 -9.708 -8.178 -2.793 1.00 0.00 O ATOM 0 H ASP A 34 -5.926 -7.989 -5.513 1.00 0.00 H new ATOM 0 HA ASP A 34 -8.175 -9.636 -6.181 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -7.302 -9.440 -3.923 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -7.554 -7.706 -3.927 1.00 0.00 H new ATOM 493 N TYR A 35 -8.727 -6.363 -6.026 1.00 0.00 N ATOM 494 CA TYR A 35 -9.343 -5.217 -6.678 1.00 0.00 C ATOM 495 C TYR A 35 -8.636 -3.951 -6.208 1.00 0.00 C ATOM 496 O TYR A 35 -7.806 -4.009 -5.302 1.00 0.00 O ATOM 497 CB TYR A 35 -10.856 -5.148 -6.417 1.00 0.00 C ATOM 498 CG TYR A 35 -11.287 -4.459 -5.132 1.00 0.00 C ATOM 499 CD1 TYR A 35 -10.832 -4.919 -3.883 1.00 0.00 C ATOM 500 CD2 TYR A 35 -12.159 -3.356 -5.187 1.00 0.00 C ATOM 501 CE1 TYR A 35 -11.276 -4.302 -2.702 1.00 0.00 C ATOM 502 CE2 TYR A 35 -12.574 -2.719 -4.006 1.00 0.00 C ATOM 503 CZ TYR A 35 -12.138 -3.200 -2.762 1.00 0.00 C ATOM 504 OH TYR A 35 -12.549 -2.601 -1.607 1.00 0.00 O ATOM 0 H TYR A 35 -8.190 -6.112 -5.196 1.00 0.00 H new ATOM 0 HA TYR A 35 -9.230 -5.320 -7.757 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -11.325 -4.633 -7.255 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -11.248 -6.165 -6.408 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -10.141 -5.747 -3.832 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -12.511 -2.997 -6.143 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -10.951 -4.679 -1.743 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -13.227 -1.861 -4.055 1.00 0.00 H new ATOM 0 HH TYR A 35 -13.461 -2.891 -1.395 1.00 0.00 H new ATOM 514 N THR A 36 -8.992 -2.813 -6.812 1.00 0.00 N ATOM 515 CA THR A 36 -8.427 -1.524 -6.456 1.00 0.00 C ATOM 516 C THR A 36 -8.798 -1.172 -5.015 1.00 0.00 C ATOM 517 O THR A 36 -9.974 -1.145 -4.659 1.00 0.00 O ATOM 518 CB THR A 36 -8.855 -0.448 -7.468 1.00 0.00 C ATOM 519 OG1 THR A 36 -8.218 0.775 -7.164 1.00 0.00 O ATOM 520 CG2 THR A 36 -10.369 -0.217 -7.553 1.00 0.00 C ATOM 0 H THR A 36 -9.682 -2.768 -7.562 1.00 0.00 H new ATOM 0 HA THR A 36 -7.339 -1.574 -6.503 1.00 0.00 H new ATOM 0 HB THR A 36 -8.548 -0.826 -8.443 1.00 0.00 H new ATOM 0 HG1 THR A 36 -8.492 1.457 -7.812 1.00 0.00 H new ATOM 0 HG21 THR A 36 -10.578 0.558 -8.291 1.00 0.00 H new ATOM 0 HG22 THR A 36 -10.862 -1.143 -7.849 1.00 0.00 H new ATOM 0 HG23 THR A 36 -10.744 0.099 -6.579 1.00 0.00 H new ATOM 528 N ALA A 37 -7.783 -0.914 -4.186 1.00 0.00 N ATOM 529 CA ALA A 37 -7.959 -0.474 -2.813 1.00 0.00 C ATOM 530 C ALA A 37 -6.695 0.258 -2.358 1.00 0.00 C ATOM 531 O ALA A 37 -5.989 0.814 -3.198 1.00 0.00 O ATOM 532 CB ALA A 37 -8.346 -1.658 -1.920 1.00 0.00 C ATOM 0 H ALA A 37 -6.805 -1.008 -4.460 1.00 0.00 H new ATOM 0 HA ALA A 37 -8.784 0.235 -2.736 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -8.475 -1.313 -0.894 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -9.280 -2.093 -2.276 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -7.559 -2.412 -1.954 1.00 0.00 H new ATOM 538 N GLU A 38 -6.425 0.296 -1.046 1.00 0.00 N ATOM 539 CA GLU A 38 -5.379 1.129 -0.464 1.00 0.00 C ATOM 540 C GLU A 38 -4.724 0.408 0.722 1.00 0.00 C ATOM 541 O GLU A 38 -4.572 1.003 1.789 1.00 0.00 O ATOM 542 CB GLU A 38 -6.006 2.437 0.037 1.00 0.00 C ATOM 543 CG GLU A 38 -6.761 3.299 -0.974 1.00 0.00 C ATOM 544 CD GLU A 38 -7.566 4.375 -0.245 1.00 0.00 C ATOM 545 OE1 GLU A 38 -7.243 4.640 0.936 1.00 0.00 O ATOM 546 OE2 GLU A 38 -8.515 4.891 -0.874 1.00 0.00 O ATOM 0 H GLU A 38 -6.935 -0.258 -0.358 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.622 1.333 -1.222 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -6.693 2.190 0.846 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -5.211 3.046 0.468 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -6.058 3.765 -1.664 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -7.428 2.676 -1.570 1.00 0.00 H new ATOM 553 N CYS A 39 -4.370 -0.874 0.562 1.00 0.00 N ATOM 554 CA CYS A 39 -3.902 -1.726 1.656 1.00 0.00 C ATOM 555 C CYS A 39 -4.922 -1.744 2.799 1.00 0.00 C ATOM 556 O CYS A 39 -4.565 -1.589 3.965 1.00 0.00 O ATOM 557 CB CYS A 39 -2.501 -1.309 2.138 1.00 0.00 C ATOM 558 SG CYS A 39 -1.182 -1.296 0.892 1.00 0.00 S ATOM 0 H CYS A 39 -4.402 -1.350 -0.339 1.00 0.00 H new ATOM 0 HA CYS A 39 -3.811 -2.745 1.279 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -2.572 -0.310 2.569 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -2.203 -1.982 2.942 1.00 0.00 H new ATOM 563 N LYS A 40 -6.198 -1.925 2.444 1.00 0.00 N ATOM 564 CA LYS A 40 -7.341 -1.942 3.345 1.00 0.00 C ATOM 565 C LYS A 40 -8.558 -2.375 2.525 1.00 0.00 C ATOM 566 O LYS A 40 -8.508 -2.295 1.298 1.00 0.00 O ATOM 567 CB LYS A 40 -7.567 -0.544 3.960 1.00 0.00 C ATOM 568 CG LYS A 40 -7.928 0.517 2.910 1.00 0.00 C ATOM 569 CD LYS A 40 -8.295 1.877 3.523 1.00 0.00 C ATOM 570 CE LYS A 40 -7.126 2.638 4.162 1.00 0.00 C ATOM 571 NZ LYS A 40 -6.144 3.100 3.165 1.00 0.00 N ATOM 0 H LYS A 40 -6.469 -2.070 1.471 1.00 0.00 H new ATOM 0 HA LYS A 40 -7.170 -2.634 4.170 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -8.365 -0.602 4.700 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -6.665 -0.234 4.488 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -7.086 0.648 2.231 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -8.766 0.157 2.313 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -8.734 2.502 2.746 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -9.064 1.722 4.279 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -7.512 3.496 4.712 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -6.628 1.993 4.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -5.429 3.694 3.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -5.680 2.278 2.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -6.629 3.655 2.431 1.00 0.00 H new ATOM 585 N PRO A 41 -9.669 -2.775 3.157 1.00 0.00 N ATOM 586 CA PRO A 41 -10.954 -2.858 2.487 1.00 0.00 C ATOM 587 C PRO A 41 -11.463 -1.442 2.197 1.00 0.00 C ATOM 588 O PRO A 41 -12.109 -0.829 3.044 1.00 0.00 O ATOM 589 CB PRO A 41 -11.850 -3.627 3.460 1.00 0.00 C ATOM 590 CG PRO A 41 -11.280 -3.277 4.833 1.00 0.00 C ATOM 591 CD PRO A 41 -9.783 -3.173 4.552 1.00 0.00 C ATOM 0 HA PRO A 41 -10.919 -3.366 1.523 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -12.893 -3.322 3.370 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -11.814 -4.700 3.274 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -11.687 -2.341 5.215 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -11.502 -4.046 5.573 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -9.312 -2.441 5.207 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -9.285 -4.126 4.729 1.00 0.00 H new ATOM 599 N GLN A 42 -11.158 -0.920 1.002 1.00 0.00 N ATOM 600 CA GLN A 42 -11.545 0.424 0.591 1.00 0.00 C ATOM 601 C GLN A 42 -13.067 0.498 0.495 1.00 0.00 C ATOM 602 O GLN A 42 -13.713 1.139 1.323 1.00 0.00 O ATOM 603 CB GLN A 42 -10.857 0.766 -0.740 1.00 0.00 C ATOM 604 CG GLN A 42 -11.256 2.142 -1.289 1.00 0.00 C ATOM 605 CD GLN A 42 -10.705 2.350 -2.698 1.00 0.00 C ATOM 606 OE1 GLN A 42 -11.131 1.677 -3.633 1.00 0.00 O ATOM 607 NE2 GLN A 42 -9.763 3.280 -2.863 1.00 0.00 N ATOM 0 H GLN A 42 -10.631 -1.428 0.292 1.00 0.00 H new ATOM 0 HA GLN A 42 -11.223 1.163 1.325 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -9.776 0.737 -0.601 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -11.105 0.002 -1.477 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -12.342 2.231 -1.303 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -10.880 2.924 -0.629 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -9.434 3.820 -2.063 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -9.372 3.451 -3.789 1.00 0.00 H new ATOM 616 N VAL A 43 -13.636 -0.190 -0.499 1.00 0.00 N ATOM 617 CA VAL A 43 -15.068 -0.372 -0.621 1.00 0.00 C ATOM 618 C VAL A 43 -15.423 -1.495 0.346 1.00 0.00 C ATOM 619 O VAL A 43 -15.256 -2.669 0.025 1.00 0.00 O ATOM 620 CB VAL A 43 -15.445 -0.699 -2.075 1.00 0.00 C ATOM 621 CG1 VAL A 43 -16.963 -0.867 -2.214 1.00 0.00 C ATOM 622 CG2 VAL A 43 -14.980 0.414 -3.022 1.00 0.00 C ATOM 0 H VAL A 43 -13.102 -0.637 -1.244 1.00 0.00 H new ATOM 0 HA VAL A 43 -15.627 0.530 -0.372 1.00 0.00 H new ATOM 0 HB VAL A 43 -14.948 -1.632 -2.342 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -17.210 -1.098 -3.250 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -17.299 -1.680 -1.571 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -17.460 0.058 -1.920 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -15.258 0.161 -4.045 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -15.454 1.354 -2.739 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -13.897 0.520 -2.955 1.00 0.00 H new ATOM 632 N THR A 44 -15.862 -1.119 1.552 1.00 0.00 N ATOM 633 CA THR A 44 -16.052 -2.028 2.669 1.00 0.00 C ATOM 634 C THR A 44 -17.313 -2.862 2.435 1.00 0.00 C ATOM 635 O THR A 44 -18.390 -2.534 2.930 1.00 0.00 O ATOM 636 CB THR A 44 -16.095 -1.207 3.969 1.00 0.00 C ATOM 637 OG1 THR A 44 -14.920 -0.427 4.074 1.00 0.00 O ATOM 638 CG2 THR A 44 -16.169 -2.094 5.215 1.00 0.00 C ATOM 0 H THR A 44 -16.098 -0.152 1.775 1.00 0.00 H new ATOM 0 HA THR A 44 -15.225 -2.732 2.757 1.00 0.00 H new ATOM 0 HB THR A 44 -16.990 -0.587 3.922 1.00 0.00 H new ATOM 0 HG1 THR A 44 -14.185 -0.879 3.610 1.00 0.00 H new ATOM 0 HG21 THR A 44 -16.197 -1.467 6.106 1.00 0.00 H new ATOM 0 HG22 THR A 44 -17.070 -2.706 5.173 1.00 0.00 H new ATOM 0 HG23 THR A 44 -15.293 -2.741 5.254 1.00 0.00 H new ATOM 646 N ARG A 45 -17.164 -3.939 1.655 1.00 0.00 N ATOM 647 CA ARG A 45 -18.239 -4.831 1.254 1.00 0.00 C ATOM 648 C ARG A 45 -17.633 -6.214 1.010 1.00 0.00 C ATOM 649 O ARG A 45 -16.529 -6.304 0.479 1.00 0.00 O ATOM 650 CB ARG A 45 -18.889 -4.278 -0.020 1.00 0.00 C ATOM 651 CG ARG A 45 -20.295 -4.849 -0.216 1.00 0.00 C ATOM 652 CD ARG A 45 -20.858 -4.487 -1.594 1.00 0.00 C ATOM 653 NE ARG A 45 -20.218 -5.287 -2.647 1.00 0.00 N ATOM 654 CZ ARG A 45 -19.239 -4.908 -3.485 1.00 0.00 C ATOM 655 NH1 ARG A 45 -18.798 -3.642 -3.517 1.00 0.00 N ATOM 656 NH2 ARG A 45 -18.695 -5.823 -4.298 1.00 0.00 N ATOM 0 H ARG A 45 -16.258 -4.216 1.277 1.00 0.00 H new ATOM 0 HA ARG A 45 -19.007 -4.907 2.024 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -18.940 -3.191 0.037 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -18.270 -4.523 -0.883 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -20.268 -5.933 -0.106 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -20.957 -4.466 0.561 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -21.935 -4.655 -1.607 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -20.699 -3.427 -1.790 1.00 0.00 H new ATOM 0 HE ARG A 45 -20.557 -6.243 -2.754 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -19.207 -2.944 -2.896 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -18.053 -3.378 -4.162 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -19.025 -6.788 -4.274 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -17.950 -5.555 -4.942 1.00 0.00 H new ATOM 670 N GLY A 46 -18.325 -7.280 1.429 1.00 0.00 N ATOM 671 CA GLY A 46 -17.779 -8.632 1.447 1.00 0.00 C ATOM 672 C GLY A 46 -18.339 -9.496 0.322 1.00 0.00 C ATOM 673 O GLY A 46 -18.994 -10.500 0.597 1.00 0.00 O ATOM 0 H GLY A 46 -19.286 -7.223 1.766 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -16.694 -8.585 1.360 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -18.002 -9.099 2.406 1.00 0.00 H new ATOM 677 N ASP A 47 -18.052 -9.132 -0.933 1.00 0.00 N ATOM 678 CA ASP A 47 -18.393 -9.932 -2.104 1.00 0.00 C ATOM 679 C ASP A 47 -17.619 -9.427 -3.320 1.00 0.00 C ATOM 680 O ASP A 47 -17.102 -8.310 -3.305 1.00 0.00 O ATOM 681 CB ASP A 47 -19.905 -9.926 -2.369 1.00 0.00 C ATOM 682 CG ASP A 47 -20.439 -8.520 -2.596 1.00 0.00 C ATOM 683 OD1 ASP A 47 -20.302 -8.027 -3.735 1.00 0.00 O ATOM 684 OD2 ASP A 47 -20.963 -7.938 -1.622 1.00 0.00 O ATOM 0 H ASP A 47 -17.571 -8.262 -1.162 1.00 0.00 H new ATOM 0 HA ASP A 47 -18.107 -10.966 -1.910 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -20.122 -10.541 -3.242 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -20.423 -10.378 -1.523 1.00 0.00 H new ATOM 689 N VAL A 48 -17.545 -10.278 -4.356 1.00 0.00 N ATOM 690 CA VAL A 48 -16.783 -10.100 -5.589 1.00 0.00 C ATOM 691 C VAL A 48 -15.289 -10.194 -5.287 1.00 0.00 C ATOM 692 O VAL A 48 -14.647 -11.184 -5.632 1.00 0.00 O ATOM 693 CB VAL A 48 -17.181 -8.820 -6.355 1.00 0.00 C ATOM 694 CG1 VAL A 48 -16.339 -8.661 -7.628 1.00 0.00 C ATOM 695 CG2 VAL A 48 -18.658 -8.879 -6.762 1.00 0.00 C ATOM 0 H VAL A 48 -18.051 -11.164 -4.348 1.00 0.00 H new ATOM 0 HA VAL A 48 -17.032 -10.910 -6.274 1.00 0.00 H new ATOM 0 HB VAL A 48 -17.007 -7.973 -5.691 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -16.638 -7.752 -8.151 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -15.284 -8.596 -7.361 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -16.496 -9.522 -8.278 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -18.923 -7.970 -7.301 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -18.824 -9.743 -7.405 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -19.278 -8.966 -5.870 1.00 0.00 H new ATOM 705 N PHE A 49 -14.755 -9.167 -4.623 1.00 0.00 N ATOM 706 CA PHE A 49 -13.414 -9.137 -4.066 1.00 0.00 C ATOM 707 C PHE A 49 -13.463 -9.607 -2.611 1.00 0.00 C ATOM 708 O PHE A 49 -14.542 -9.906 -2.100 1.00 0.00 O ATOM 709 CB PHE A 49 -12.857 -7.720 -4.223 1.00 0.00 C ATOM 710 CG PHE A 49 -13.808 -6.607 -3.830 1.00 0.00 C ATOM 711 CD1 PHE A 49 -13.986 -6.280 -2.477 1.00 0.00 C ATOM 712 CD2 PHE A 49 -14.502 -5.888 -4.821 1.00 0.00 C ATOM 713 CE1 PHE A 49 -14.844 -5.230 -2.117 1.00 0.00 C ATOM 714 CE2 PHE A 49 -15.354 -4.832 -4.459 1.00 0.00 C ATOM 715 CZ PHE A 49 -15.523 -4.503 -3.104 1.00 0.00 C ATOM 0 H PHE A 49 -15.270 -8.303 -4.456 1.00 0.00 H new ATOM 0 HA PHE A 49 -12.743 -9.815 -4.593 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -11.953 -7.633 -3.621 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -12.563 -7.575 -5.263 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -13.463 -6.836 -1.713 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -14.379 -6.149 -5.862 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -14.982 -4.981 -1.075 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -15.878 -4.274 -5.221 1.00 0.00 H new ATOM 0 HZ PHE A 49 -16.176 -3.690 -2.823 1.00 0.00 H new ATOM 725 N THR A 50 -12.301 -9.702 -1.952 1.00 0.00 N ATOM 726 CA THR A 50 -12.199 -10.270 -0.613 1.00 0.00 C ATOM 727 C THR A 50 -13.058 -9.485 0.380 1.00 0.00 C ATOM 728 O THR A 50 -14.033 -10.019 0.907 1.00 0.00 O ATOM 729 CB THR A 50 -10.736 -10.336 -0.151 1.00 0.00 C ATOM 730 OG1 THR A 50 -10.139 -9.059 -0.200 1.00 0.00 O ATOM 731 CG2 THR A 50 -9.915 -11.323 -0.983 1.00 0.00 C ATOM 0 H THR A 50 -11.410 -9.386 -2.336 1.00 0.00 H new ATOM 0 HA THR A 50 -12.580 -11.290 -0.651 1.00 0.00 H new ATOM 0 HB THR A 50 -10.744 -10.691 0.879 1.00 0.00 H new ATOM 0 HG1 THR A 50 -9.964 -8.815 -1.133 1.00 0.00 H new ATOM 0 HG21 THR A 50 -8.887 -11.337 -0.621 1.00 0.00 H new ATOM 0 HG22 THR A 50 -10.345 -12.321 -0.893 1.00 0.00 H new ATOM 0 HG23 THR A 50 -9.927 -11.016 -2.029 1.00 0.00 H new ATOM 739 N MET A 51 -12.696 -8.223 0.634 1.00 0.00 N ATOM 740 CA MET A 51 -13.434 -7.348 1.526 1.00 0.00 C ATOM 741 C MET A 51 -13.182 -5.893 1.142 1.00 0.00 C ATOM 742 O MET A 51 -12.102 -5.568 0.655 1.00 0.00 O ATOM 743 CB MET A 51 -13.039 -7.632 2.984 1.00 0.00 C ATOM 744 CG MET A 51 -13.899 -6.862 3.992 1.00 0.00 C ATOM 745 SD MET A 51 -15.678 -7.201 3.894 1.00 0.00 S ATOM 746 CE MET A 51 -16.309 -5.817 4.870 1.00 0.00 C ATOM 0 H MET A 51 -11.874 -7.785 0.218 1.00 0.00 H new ATOM 0 HA MET A 51 -14.503 -7.539 1.432 1.00 0.00 H new ATOM 0 HB2 MET A 51 -13.128 -8.701 3.178 1.00 0.00 H new ATOM 0 HB3 MET A 51 -11.992 -7.368 3.130 1.00 0.00 H new ATOM 0 HG2 MET A 51 -13.554 -7.099 4.998 1.00 0.00 H new ATOM 0 HG3 MET A 51 -13.739 -5.794 3.843 1.00 0.00 H new ATOM 0 HE1 MET A 51 -17.397 -5.869 4.914 1.00 0.00 H new ATOM 0 HE2 MET A 51 -15.902 -5.868 5.880 1.00 0.00 H new ATOM 0 HE3 MET A 51 -16.009 -4.878 4.405 1.00 0.00 H new TER 756 MET A 51 HETATM 757 O OH A 52 -14.215 -5.036 1.379 1.00 0.00 O