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 4 SER OG : rot 106:sc= 1.19 USER MOD Set 1.2: A 20 GLN : amide:sc= 0.447 K(o=1.6,f=1.1) USER MOD Single : A 1 ASP N :NH3+ -160:sc= 1.4 (180deg=0.475) USER MOD Single : A 2 GLN : amide:sc= -0.176 K(o=-0.18,f=-7.7!) USER MOD Single : A 6 LYS NZ :NH3+ 162:sc= 0.926 (180deg=0.131) USER MOD Single : A 10 THR OG1 : rot 64:sc= 0.0864 USER MOD Single : A 14 ASN : amide:sc= -0.0115 X(o=-0.011,f=0) USER MOD Single : A 17 LYS NZ :NH3+ 155:sc= 1.64 (180deg=-1.33!) USER MOD Single : A 18 LYS NZ :NH3+ 163:sc= 1.6 (180deg=1.07) USER MOD Single : A 26 SER OG : rot -98:sc= 0.841 USER MOD Single : A 27 TYR OH : rot 30:sc= 0 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= 1.05 K(o=1.1,f=-6.3!) USER MOD Single : A 30 SER OG : rot 175:sc= 0.794 USER MOD Single : A 33 THR OG1 : rot -23:sc= 0.417 USER MOD Single : A 35 TYR OH : rot -136:sc= 1.62 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.42 USER MOD Single : A 40 LYS NZ :NH3+ -170:sc= 0.63 (180deg=0.3) USER MOD Single : A 42 GLN : amide:sc= 0.581 K(o=0.58,f=0) USER MOD Single : A 44 THR OG1 : rot 39:sc= 0.0451 USER MOD Single : A 50 THR OG1 : rot 55:sc= 0.217 USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 5.343 -0.341 -1.361 1.00 0.00 N ATOM 2 CA ASP A 1 6.811 -0.439 -1.276 1.00 0.00 C ATOM 3 C ASP A 1 7.456 0.058 -2.565 1.00 0.00 C ATOM 4 O ASP A 1 8.283 0.967 -2.534 1.00 0.00 O ATOM 5 CB ASP A 1 7.293 -1.866 -0.968 1.00 0.00 C ATOM 6 CG ASP A 1 7.043 -2.280 0.478 1.00 0.00 C ATOM 7 OD1 ASP A 1 7.624 -1.620 1.365 1.00 0.00 O ATOM 8 OD2 ASP A 1 6.280 -3.250 0.681 1.00 0.00 O ATOM 0 H1 ASP A 1 4.938 -0.351 -0.403 1.00 0.00 H new ATOM 0 H2 ASP A 1 5.081 0.545 -1.838 1.00 0.00 H new ATOM 0 H3 ASP A 1 4.972 -1.148 -1.902 1.00 0.00 H new ATOM 0 HA ASP A 1 7.118 0.195 -0.444 1.00 0.00 H new ATOM 0 HB2 ASP A 1 6.787 -2.566 -1.633 1.00 0.00 H new ATOM 0 HB3 ASP A 1 8.360 -1.937 -1.181 1.00 0.00 H new ATOM 15 N GLN A 2 7.068 -0.540 -3.695 1.00 0.00 N ATOM 16 CA GLN A 2 7.567 -0.170 -5.009 1.00 0.00 C ATOM 17 C GLN A 2 6.899 1.143 -5.416 1.00 0.00 C ATOM 18 O GLN A 2 7.579 2.106 -5.767 1.00 0.00 O ATOM 19 CB GLN A 2 7.272 -1.286 -6.023 1.00 0.00 C ATOM 20 CG GLN A 2 7.980 -2.612 -5.700 1.00 0.00 C ATOM 21 CD GLN A 2 7.408 -3.360 -4.492 1.00 0.00 C ATOM 22 OE1 GLN A 2 6.224 -3.252 -4.177 1.00 0.00 O ATOM 23 NE2 GLN A 2 8.257 -4.120 -3.797 1.00 0.00 N ATOM 0 H GLN A 2 6.391 -1.302 -3.716 1.00 0.00 H new ATOM 0 HA GLN A 2 8.648 -0.035 -4.984 1.00 0.00 H new ATOM 0 HB2 GLN A 2 6.196 -1.457 -6.060 1.00 0.00 H new ATOM 0 HB3 GLN A 2 7.576 -0.954 -7.016 1.00 0.00 H new ATOM 0 HG2 GLN A 2 7.924 -3.262 -6.574 1.00 0.00 H new ATOM 0 HG3 GLN A 2 9.036 -2.411 -5.520 1.00 0.00 H new ATOM 0 HE21 GLN A 2 9.233 -4.188 -4.085 1.00 0.00 H new ATOM 0 HE22 GLN A 2 7.930 -4.633 -2.978 1.00 0.00 H new ATOM 32 N GLU A 3 5.568 1.173 -5.310 1.00 0.00 N ATOM 33 CA GLU A 3 4.743 2.371 -5.298 1.00 0.00 C ATOM 34 C GLU A 3 4.224 2.502 -3.858 1.00 0.00 C ATOM 35 O GLU A 3 4.839 1.955 -2.944 1.00 0.00 O ATOM 36 CB GLU A 3 3.635 2.203 -6.358 1.00 0.00 C ATOM 37 CG GLU A 3 3.457 3.442 -7.246 1.00 0.00 C ATOM 38 CD GLU A 3 2.898 4.638 -6.488 1.00 0.00 C ATOM 39 OE1 GLU A 3 1.845 4.457 -5.839 1.00 0.00 O ATOM 40 OE2 GLU A 3 3.525 5.717 -6.553 1.00 0.00 O ATOM 0 H GLU A 3 5.016 0.319 -5.227 1.00 0.00 H new ATOM 0 HA GLU A 3 5.272 3.287 -5.560 1.00 0.00 H new ATOM 0 HB2 GLU A 3 3.869 1.344 -6.986 1.00 0.00 H new ATOM 0 HB3 GLU A 3 2.692 1.984 -5.857 1.00 0.00 H new ATOM 0 HG2 GLU A 3 4.419 3.712 -7.682 1.00 0.00 H new ATOM 0 HG3 GLU A 3 2.790 3.198 -8.073 1.00 0.00 H new ATOM 47 N SER A 4 3.093 3.185 -3.645 1.00 0.00 N ATOM 48 CA SER A 4 2.343 3.175 -2.395 1.00 0.00 C ATOM 49 C SER A 4 3.124 3.724 -1.194 1.00 0.00 C ATOM 50 O SER A 4 4.269 4.159 -1.315 1.00 0.00 O ATOM 51 CB SER A 4 1.809 1.758 -2.142 1.00 0.00 C ATOM 52 OG SER A 4 0.936 1.390 -3.187 1.00 0.00 O ATOM 0 H SER A 4 2.667 3.774 -4.360 1.00 0.00 H new ATOM 0 HA SER A 4 1.507 3.866 -2.507 1.00 0.00 H new ATOM 0 HB2 SER A 4 2.637 1.052 -2.080 1.00 0.00 H new ATOM 0 HB3 SER A 4 1.286 1.720 -1.187 1.00 0.00 H new ATOM 0 HG SER A 4 1.381 0.742 -3.772 1.00 0.00 H new ATOM 58 N CYS A 5 2.472 3.714 -0.027 1.00 0.00 N ATOM 59 CA CYS A 5 3.019 4.114 1.257 1.00 0.00 C ATOM 60 C CYS A 5 2.434 3.193 2.323 1.00 0.00 C ATOM 61 O CYS A 5 1.259 2.840 2.254 1.00 0.00 O ATOM 62 CB CYS A 5 2.619 5.559 1.565 1.00 0.00 C ATOM 63 SG CYS A 5 3.292 6.827 0.463 1.00 0.00 S ATOM 0 H CYS A 5 1.501 3.410 0.042 1.00 0.00 H new ATOM 0 HA CYS A 5 4.107 4.045 1.240 1.00 0.00 H new ATOM 0 HB2 CYS A 5 1.531 5.626 1.540 1.00 0.00 H new ATOM 0 HB3 CYS A 5 2.930 5.791 2.584 1.00 0.00 H new ATOM 68 N LYS A 6 3.241 2.819 3.319 1.00 0.00 N ATOM 69 CA LYS A 6 2.775 2.019 4.444 1.00 0.00 C ATOM 70 C LYS A 6 1.816 2.859 5.286 1.00 0.00 C ATOM 71 O LYS A 6 0.660 2.483 5.476 1.00 0.00 O ATOM 72 CB LYS A 6 3.968 1.531 5.280 1.00 0.00 C ATOM 73 CG LYS A 6 4.914 0.613 4.498 1.00 0.00 C ATOM 74 CD LYS A 6 4.337 -0.794 4.295 1.00 0.00 C ATOM 75 CE LYS A 6 5.241 -1.562 3.330 1.00 0.00 C ATOM 76 NZ LYS A 6 4.750 -2.925 3.065 1.00 0.00 N ATOM 0 H LYS A 6 4.230 3.063 3.364 1.00 0.00 H new ATOM 0 HA LYS A 6 2.247 1.138 4.080 1.00 0.00 H new ATOM 0 HB2 LYS A 6 4.526 2.394 5.644 1.00 0.00 H new ATOM 0 HB3 LYS A 6 3.597 0.999 6.156 1.00 0.00 H new ATOM 0 HG2 LYS A 6 5.126 1.059 3.526 1.00 0.00 H new ATOM 0 HG3 LYS A 6 5.863 0.539 5.028 1.00 0.00 H new ATOM 0 HD2 LYS A 6 4.273 -1.317 5.249 1.00 0.00 H new ATOM 0 HD3 LYS A 6 3.324 -0.733 3.896 1.00 0.00 H new ATOM 0 HE2 LYS A 6 5.312 -1.015 2.390 1.00 0.00 H new ATOM 0 HE3 LYS A 6 6.248 -1.616 3.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 5.197 -3.293 2.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 4.988 -3.542 3.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 3.718 -2.904 2.939 1.00 0.00 H new ATOM 90 N GLY A 7 2.303 4.004 5.778 1.00 0.00 N ATOM 91 CA GLY A 7 1.510 4.955 6.536 1.00 0.00 C ATOM 92 C GLY A 7 0.786 5.922 5.602 1.00 0.00 C ATOM 93 O GLY A 7 0.893 5.822 4.380 1.00 0.00 O ATOM 0 H GLY A 7 3.274 4.292 5.654 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.784 4.422 7.150 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.154 5.512 7.216 1.00 0.00 H new ATOM 97 N ARG A 8 0.067 6.880 6.195 1.00 0.00 N ATOM 98 CA ARG A 8 -0.598 7.951 5.477 1.00 0.00 C ATOM 99 C ARG A 8 0.443 9.020 5.137 1.00 0.00 C ATOM 100 O ARG A 8 0.641 9.969 5.895 1.00 0.00 O ATOM 101 CB ARG A 8 -1.758 8.480 6.338 1.00 0.00 C ATOM 102 CG ARG A 8 -2.878 9.118 5.510 1.00 0.00 C ATOM 103 CD ARG A 8 -2.416 10.300 4.655 1.00 0.00 C ATOM 104 NE ARG A 8 -3.562 10.944 4.007 1.00 0.00 N ATOM 105 CZ ARG A 8 -3.484 11.807 2.982 1.00 0.00 C ATOM 106 NH1 ARG A 8 -2.299 12.187 2.482 1.00 0.00 N ATOM 107 NH2 ARG A 8 -4.615 12.271 2.438 1.00 0.00 N ATOM 0 H ARG A 8 -0.066 6.926 7.205 1.00 0.00 H new ATOM 0 HA ARG A 8 -1.032 7.608 4.538 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -2.170 7.659 6.925 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -1.373 9.215 7.044 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -3.314 8.359 4.860 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -3.668 9.454 6.182 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -1.889 11.023 5.278 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -1.710 9.956 3.900 1.00 0.00 H new ATOM 0 HE ARG A 8 -4.491 10.719 4.363 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -1.435 11.819 2.881 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -2.261 12.844 1.703 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -5.518 11.968 2.803 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -4.574 12.927 1.658 1.00 0.00 H new ATOM 121 N CYS A 9 1.122 8.849 3.999 1.00 0.00 N ATOM 122 CA CYS A 9 2.179 9.748 3.551 1.00 0.00 C ATOM 123 C CYS A 9 1.595 11.052 3.003 1.00 0.00 C ATOM 124 O CYS A 9 0.381 11.243 2.975 1.00 0.00 O ATOM 125 CB CYS A 9 3.075 9.025 2.540 1.00 0.00 C ATOM 126 SG CYS A 9 2.246 8.490 1.023 1.00 0.00 S ATOM 0 H CYS A 9 0.948 8.074 3.359 1.00 0.00 H new ATOM 0 HA CYS A 9 2.802 10.030 4.400 1.00 0.00 H new ATOM 0 HB2 CYS A 9 3.899 9.686 2.271 1.00 0.00 H new ATOM 0 HB3 CYS A 9 3.511 8.151 3.024 1.00 0.00 H new ATOM 131 N THR A 10 2.471 11.984 2.611 1.00 0.00 N ATOM 132 CA THR A 10 2.095 13.350 2.282 1.00 0.00 C ATOM 133 C THR A 10 1.688 13.469 0.811 1.00 0.00 C ATOM 134 O THR A 10 2.288 14.240 0.063 1.00 0.00 O ATOM 135 CB THR A 10 3.260 14.285 2.639 1.00 0.00 C ATOM 136 OG1 THR A 10 4.429 13.874 1.961 1.00 0.00 O ATOM 137 CG2 THR A 10 3.530 14.286 4.147 1.00 0.00 C ATOM 0 H THR A 10 3.470 11.802 2.514 1.00 0.00 H new ATOM 0 HA THR A 10 1.222 13.644 2.865 1.00 0.00 H new ATOM 0 HB THR A 10 2.985 15.294 2.334 1.00 0.00 H new ATOM 0 HG1 THR A 10 4.293 13.959 0.994 1.00 0.00 H new ATOM 0 HG21 THR A 10 4.360 14.957 4.368 1.00 0.00 H new ATOM 0 HG22 THR A 10 2.639 14.625 4.676 1.00 0.00 H new ATOM 0 HG23 THR A 10 3.783 13.277 4.472 1.00 0.00 H new ATOM 145 N GLU A 11 0.651 12.725 0.406 1.00 0.00 N ATOM 146 CA GLU A 11 0.050 12.840 -0.915 1.00 0.00 C ATOM 147 C GLU A 11 -1.097 13.844 -0.848 1.00 0.00 C ATOM 148 O GLU A 11 -1.926 13.782 0.060 1.00 0.00 O ATOM 149 CB GLU A 11 -0.424 11.468 -1.398 1.00 0.00 C ATOM 150 CG GLU A 11 0.788 10.583 -1.716 1.00 0.00 C ATOM 151 CD GLU A 11 0.400 9.185 -2.188 1.00 0.00 C ATOM 152 OE1 GLU A 11 -0.811 8.955 -2.389 1.00 0.00 O ATOM 153 OE2 GLU A 11 1.329 8.370 -2.371 1.00 0.00 O ATOM 0 H GLU A 11 0.207 12.022 0.997 1.00 0.00 H new ATOM 0 HA GLU A 11 0.785 13.200 -1.635 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -1.040 10.996 -0.633 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -1.047 11.580 -2.285 1.00 0.00 H new ATOM 0 HG2 GLU A 11 1.391 11.066 -2.485 1.00 0.00 H new ATOM 0 HG3 GLU A 11 1.413 10.500 -0.827 1.00 0.00 H new ATOM 160 N GLY A 12 -1.122 14.788 -1.799 1.00 0.00 N ATOM 161 CA GLY A 12 -2.029 15.926 -1.794 1.00 0.00 C ATOM 162 C GLY A 12 -3.400 15.570 -2.362 1.00 0.00 C ATOM 163 O GLY A 12 -3.867 16.209 -3.302 1.00 0.00 O ATOM 0 H GLY A 12 -0.497 14.775 -2.605 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -2.144 16.293 -0.774 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -1.595 16.738 -2.378 1.00 0.00 H new ATOM 167 N PHE A 13 -4.047 14.561 -1.771 1.00 0.00 N ATOM 168 CA PHE A 13 -5.400 14.134 -2.084 1.00 0.00 C ATOM 169 C PHE A 13 -5.851 13.172 -0.989 1.00 0.00 C ATOM 170 O PHE A 13 -5.016 12.623 -0.272 1.00 0.00 O ATOM 171 CB PHE A 13 -5.479 13.505 -3.480 1.00 0.00 C ATOM 172 CG PHE A 13 -4.399 12.488 -3.788 1.00 0.00 C ATOM 173 CD1 PHE A 13 -4.515 11.170 -3.315 1.00 0.00 C ATOM 174 CD2 PHE A 13 -3.302 12.850 -4.590 1.00 0.00 C ATOM 175 CE1 PHE A 13 -3.558 10.208 -3.674 1.00 0.00 C ATOM 176 CE2 PHE A 13 -2.342 11.888 -4.944 1.00 0.00 C ATOM 177 CZ PHE A 13 -2.481 10.565 -4.501 1.00 0.00 C ATOM 0 H PHE A 13 -3.619 14.002 -1.033 1.00 0.00 H new ATOM 0 HA PHE A 13 -6.071 14.992 -2.110 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -6.451 13.025 -3.591 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -5.430 14.301 -4.223 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -5.341 10.897 -2.675 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -3.198 13.868 -4.934 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -3.650 9.194 -3.314 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -1.498 12.167 -5.557 1.00 0.00 H new ATOM 0 HZ PHE A 13 -1.758 9.819 -4.797 1.00 0.00 H new ATOM 187 N ASN A 14 -7.170 13.010 -0.837 1.00 0.00 N ATOM 188 CA ASN A 14 -7.786 12.373 0.320 1.00 0.00 C ATOM 189 C ASN A 14 -7.321 10.933 0.529 1.00 0.00 C ATOM 190 O ASN A 14 -6.868 10.592 1.620 1.00 0.00 O ATOM 191 CB ASN A 14 -9.310 12.439 0.183 1.00 0.00 C ATOM 192 CG ASN A 14 -10.004 11.796 1.381 1.00 0.00 C ATOM 193 OD1 ASN A 14 -10.171 12.434 2.417 1.00 0.00 O ATOM 194 ND2 ASN A 14 -10.411 10.534 1.242 1.00 0.00 N ATOM 0 H ASN A 14 -7.847 13.326 -1.531 1.00 0.00 H new ATOM 0 HA ASN A 14 -7.468 12.922 1.206 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -9.624 13.479 0.093 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -9.617 11.933 -0.732 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -10.881 10.062 2.014 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -10.252 10.041 0.363 1.00 0.00 H new ATOM 201 N VAL A 15 -7.486 10.090 -0.497 1.00 0.00 N ATOM 202 CA VAL A 15 -7.370 8.645 -0.374 1.00 0.00 C ATOM 203 C VAL A 15 -5.992 8.212 0.126 1.00 0.00 C ATOM 204 O VAL A 15 -5.916 7.452 1.090 1.00 0.00 O ATOM 205 CB VAL A 15 -7.792 7.950 -1.683 1.00 0.00 C ATOM 206 CG1 VAL A 15 -7.067 8.438 -2.945 1.00 0.00 C ATOM 207 CG2 VAL A 15 -7.605 6.437 -1.557 1.00 0.00 C ATOM 0 H VAL A 15 -7.706 10.402 -1.443 1.00 0.00 H new ATOM 0 HA VAL A 15 -8.066 8.316 0.397 1.00 0.00 H new ATOM 0 HB VAL A 15 -8.841 8.216 -1.816 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -7.434 7.888 -3.811 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -7.256 9.502 -3.084 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -5.995 8.271 -2.837 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -7.906 5.955 -2.487 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -6.557 6.215 -1.356 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -8.219 6.061 -0.738 1.00 0.00 H new ATOM 217 N ASP A 16 -4.927 8.698 -0.525 1.00 0.00 N ATOM 218 CA ASP A 16 -3.535 8.367 -0.251 1.00 0.00 C ATOM 219 C ASP A 16 -3.233 6.906 -0.604 1.00 0.00 C ATOM 220 O ASP A 16 -3.852 5.986 -0.075 1.00 0.00 O ATOM 221 CB ASP A 16 -3.141 8.759 1.176 1.00 0.00 C ATOM 222 CG ASP A 16 -1.724 8.322 1.515 1.00 0.00 C ATOM 223 OD1 ASP A 16 -1.582 7.163 1.963 1.00 0.00 O ATOM 224 OD2 ASP A 16 -0.820 9.165 1.345 1.00 0.00 O ATOM 0 H ASP A 16 -5.024 9.363 -1.292 1.00 0.00 H new ATOM 0 HA ASP A 16 -2.898 8.964 -0.904 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -3.225 9.840 1.292 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -3.838 8.308 1.882 1.00 0.00 H new ATOM 229 N LYS A 17 -2.287 6.708 -1.528 1.00 0.00 N ATOM 230 CA LYS A 17 -1.941 5.415 -2.097 1.00 0.00 C ATOM 231 C LYS A 17 -1.277 4.523 -1.049 1.00 0.00 C ATOM 232 O LYS A 17 -0.256 4.908 -0.482 1.00 0.00 O ATOM 233 CB LYS A 17 -0.985 5.626 -3.277 1.00 0.00 C ATOM 234 CG LYS A 17 -1.665 6.400 -4.415 1.00 0.00 C ATOM 235 CD LYS A 17 -0.847 6.446 -5.712 1.00 0.00 C ATOM 236 CE LYS A 17 0.337 7.425 -5.716 1.00 0.00 C ATOM 237 NZ LYS A 17 1.427 7.029 -4.810 1.00 0.00 N ATOM 0 H LYS A 17 -1.727 7.472 -1.908 1.00 0.00 H new ATOM 0 HA LYS A 17 -2.852 4.923 -2.438 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -0.103 6.171 -2.940 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -0.641 4.660 -3.646 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -2.633 5.944 -4.624 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -1.858 7.420 -4.083 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -0.468 5.445 -5.917 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -1.515 6.708 -6.533 1.00 0.00 H new ATOM 0 HE2 LYS A 17 0.729 7.505 -6.730 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -0.019 8.415 -5.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 2.322 7.441 -5.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 1.223 7.373 -3.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 1.507 5.992 -4.796 1.00 0.00 H new ATOM 251 N LYS A 18 -1.846 3.332 -0.809 1.00 0.00 N ATOM 252 CA LYS A 18 -1.284 2.344 0.105 1.00 0.00 C ATOM 253 C LYS A 18 -1.193 0.947 -0.520 1.00 0.00 C ATOM 254 O LYS A 18 -0.546 0.082 0.061 1.00 0.00 O ATOM 255 CB LYS A 18 -2.015 2.337 1.457 1.00 0.00 C ATOM 256 CG LYS A 18 -2.090 3.724 2.097 1.00 0.00 C ATOM 257 CD LYS A 18 -2.927 3.653 3.377 1.00 0.00 C ATOM 258 CE LYS A 18 -3.171 5.047 3.959 1.00 0.00 C ATOM 259 NZ LYS A 18 -3.927 5.907 3.030 1.00 0.00 N ATOM 0 H LYS A 18 -2.715 3.032 -1.250 1.00 0.00 H new ATOM 0 HA LYS A 18 -0.257 2.650 0.303 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -3.025 1.951 1.317 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -1.505 1.655 2.137 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -1.087 4.085 2.325 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -2.533 4.434 1.399 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -3.882 3.173 3.163 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -2.417 3.033 4.114 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -3.718 4.958 4.898 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -2.215 5.516 4.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -4.319 6.719 3.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -3.293 6.249 2.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -4.703 5.361 2.605 1.00 0.00 H new ATOM 273 N CYS A 19 -1.776 0.720 -1.705 1.00 0.00 N ATOM 274 CA CYS A 19 -1.545 -0.499 -2.477 1.00 0.00 C ATOM 275 C CYS A 19 -2.050 -0.311 -3.904 1.00 0.00 C ATOM 276 O CYS A 19 -3.261 -0.295 -4.121 1.00 0.00 O ATOM 277 CB CYS A 19 -2.245 -1.703 -1.839 1.00 0.00 C ATOM 278 SG CYS A 19 -2.107 -3.225 -2.808 1.00 0.00 S ATOM 0 H CYS A 19 -2.418 1.376 -2.150 1.00 0.00 H new ATOM 0 HA CYS A 19 -0.473 -0.693 -2.488 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -1.823 -1.874 -0.849 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -3.300 -1.466 -1.699 1.00 0.00 H new ATOM 283 N GLN A 20 -1.132 -0.188 -4.872 1.00 0.00 N ATOM 284 CA GLN A 20 -1.461 -0.130 -6.291 1.00 0.00 C ATOM 285 C GLN A 20 -1.089 -1.471 -6.922 1.00 0.00 C ATOM 286 O GLN A 20 -0.277 -1.515 -7.845 1.00 0.00 O ATOM 287 CB GLN A 20 -0.717 1.032 -6.975 1.00 0.00 C ATOM 288 CG GLN A 20 -0.798 2.371 -6.236 1.00 0.00 C ATOM 289 CD GLN A 20 -2.195 2.684 -5.713 1.00 0.00 C ATOM 290 OE1 GLN A 20 -3.140 2.841 -6.483 1.00 0.00 O ATOM 291 NE2 GLN A 20 -2.322 2.777 -4.389 1.00 0.00 N ATOM 0 H GLN A 20 -0.132 -0.126 -4.683 1.00 0.00 H new ATOM 0 HA GLN A 20 -2.528 0.052 -6.421 1.00 0.00 H new ATOM 0 HB2 GLN A 20 0.332 0.758 -7.086 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -1.121 1.162 -7.979 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -0.098 2.361 -5.400 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -0.481 3.169 -6.907 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -1.510 2.639 -3.788 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -3.232 2.986 -3.977 1.00 0.00 H new ATOM 300 N CYS A 21 -1.627 -2.569 -6.374 1.00 0.00 N ATOM 301 CA CYS A 21 -1.209 -3.947 -6.636 1.00 0.00 C ATOM 302 C CYS A 21 0.125 -4.284 -5.966 1.00 0.00 C ATOM 303 O CYS A 21 0.293 -5.395 -5.463 1.00 0.00 O ATOM 304 CB CYS A 21 -1.202 -4.302 -8.128 1.00 0.00 C ATOM 305 SG CYS A 21 -1.068 -6.084 -8.426 1.00 0.00 S ATOM 0 H CYS A 21 -2.398 -2.516 -5.708 1.00 0.00 H new ATOM 0 HA CYS A 21 -1.970 -4.578 -6.177 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -2.116 -3.929 -8.590 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -0.369 -3.794 -8.614 1.00 0.00 H new ATOM 310 N ASP A 22 1.064 -3.332 -5.951 1.00 0.00 N ATOM 311 CA ASP A 22 2.363 -3.459 -5.315 1.00 0.00 C ATOM 312 C ASP A 22 2.238 -3.548 -3.792 1.00 0.00 C ATOM 313 O ASP A 22 1.136 -3.612 -3.253 1.00 0.00 O ATOM 314 CB ASP A 22 3.227 -2.254 -5.716 1.00 0.00 C ATOM 315 CG ASP A 22 2.929 -1.019 -4.866 1.00 0.00 C ATOM 316 OD1 ASP A 22 1.819 -0.464 -5.023 1.00 0.00 O ATOM 317 OD2 ASP A 22 3.816 -0.666 -4.057 1.00 0.00 O ATOM 0 H ASP A 22 0.928 -2.425 -6.398 1.00 0.00 H new ATOM 0 HA ASP A 22 2.833 -4.383 -5.651 1.00 0.00 H new ATOM 0 HB2 ASP A 22 4.280 -2.516 -5.616 1.00 0.00 H new ATOM 0 HB3 ASP A 22 3.055 -2.020 -6.767 1.00 0.00 H new ATOM 322 N GLU A 23 3.393 -3.510 -3.115 1.00 0.00 N ATOM 323 CA GLU A 23 3.536 -3.440 -1.672 1.00 0.00 C ATOM 324 C GLU A 23 3.348 -4.813 -1.036 1.00 0.00 C ATOM 325 O GLU A 23 2.456 -5.571 -1.416 1.00 0.00 O ATOM 326 CB GLU A 23 2.637 -2.356 -1.045 1.00 0.00 C ATOM 327 CG GLU A 23 3.018 -2.126 0.420 1.00 0.00 C ATOM 328 CD GLU A 23 2.564 -0.770 0.944 1.00 0.00 C ATOM 329 OE1 GLU A 23 3.153 0.234 0.484 1.00 0.00 O ATOM 330 OE2 GLU A 23 1.684 -0.768 1.830 1.00 0.00 O ATOM 0 H GLU A 23 4.294 -3.529 -3.593 1.00 0.00 H new ATOM 0 HA GLU A 23 4.558 -3.128 -1.456 1.00 0.00 H new ATOM 0 HB2 GLU A 23 2.736 -1.425 -1.603 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.592 -2.658 -1.112 1.00 0.00 H new ATOM 0 HG2 GLU A 23 2.578 -2.913 1.033 1.00 0.00 H new ATOM 0 HG3 GLU A 23 4.100 -2.207 0.526 1.00 0.00 H new ATOM 337 N LEU A 24 4.203 -5.117 -0.055 1.00 0.00 N ATOM 338 CA LEU A 24 4.051 -6.278 0.808 1.00 0.00 C ATOM 339 C LEU A 24 2.804 -6.046 1.660 1.00 0.00 C ATOM 340 O LEU A 24 2.874 -5.445 2.731 1.00 0.00 O ATOM 341 CB LEU A 24 5.308 -6.483 1.666 1.00 0.00 C ATOM 342 CG LEU A 24 6.420 -7.259 0.941 1.00 0.00 C ATOM 343 CD1 LEU A 24 6.947 -6.548 -0.311 1.00 0.00 C ATOM 344 CD2 LEU A 24 7.583 -7.483 1.913 1.00 0.00 C ATOM 0 H LEU A 24 5.026 -4.554 0.159 1.00 0.00 H new ATOM 0 HA LEU A 24 3.932 -7.190 0.224 1.00 0.00 H new ATOM 0 HB2 LEU A 24 5.693 -5.510 1.972 1.00 0.00 H new ATOM 0 HB3 LEU A 24 5.035 -7.018 2.576 1.00 0.00 H new ATOM 0 HG LEU A 24 5.985 -8.202 0.609 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.729 -7.153 -0.771 1.00 0.00 H new ATOM 0 HD12 LEU A 24 6.131 -6.408 -1.021 1.00 0.00 H new ATOM 0 HD13 LEU A 24 7.356 -5.577 -0.033 1.00 0.00 H new ATOM 0 HD21 LEU A 24 8.378 -8.033 1.409 1.00 0.00 H new ATOM 0 HD22 LEU A 24 7.966 -6.520 2.251 1.00 0.00 H new ATOM 0 HD23 LEU A 24 7.234 -8.056 2.772 1.00 0.00 H new ATOM 356 N CYS A 25 1.660 -6.486 1.129 1.00 0.00 N ATOM 357 CA CYS A 25 0.332 -6.199 1.640 1.00 0.00 C ATOM 358 C CYS A 25 -0.629 -7.304 1.214 1.00 0.00 C ATOM 359 O CYS A 25 -1.329 -7.855 2.059 1.00 0.00 O ATOM 360 CB CYS A 25 -0.166 -4.864 1.078 1.00 0.00 C ATOM 361 SG CYS A 25 -1.953 -4.674 1.291 1.00 0.00 S ATOM 0 H CYS A 25 1.641 -7.076 0.297 1.00 0.00 H new ATOM 0 HA CYS A 25 0.376 -6.144 2.728 1.00 0.00 H new ATOM 0 HB2 CYS A 25 0.349 -4.044 1.578 1.00 0.00 H new ATOM 0 HB3 CYS A 25 0.083 -4.799 0.019 1.00 0.00 H new ATOM 366 N SER A 26 -0.693 -7.568 -0.097 1.00 0.00 N ATOM 367 CA SER A 26 -1.686 -8.414 -0.742 1.00 0.00 C ATOM 368 C SER A 26 -1.628 -9.851 -0.225 1.00 0.00 C ATOM 369 O SER A 26 -0.949 -10.690 -0.816 1.00 0.00 O ATOM 370 CB SER A 26 -1.444 -8.376 -2.254 1.00 0.00 C ATOM 371 OG SER A 26 -1.484 -7.047 -2.723 1.00 0.00 O ATOM 0 H SER A 26 -0.022 -7.178 -0.759 1.00 0.00 H new ATOM 0 HA SER A 26 -2.681 -8.035 -0.509 1.00 0.00 H new ATOM 0 HB2 SER A 26 -0.477 -8.821 -2.486 1.00 0.00 H new ATOM 0 HB3 SER A 26 -2.200 -8.972 -2.765 1.00 0.00 H new ATOM 0 HG SER A 26 -2.370 -6.859 -3.098 1.00 0.00 H new ATOM 377 N TYR A 27 -2.361 -10.143 0.856 1.00 0.00 N ATOM 378 CA TYR A 27 -2.396 -11.453 1.491 1.00 0.00 C ATOM 379 C TYR A 27 -3.847 -11.872 1.710 1.00 0.00 C ATOM 380 O TYR A 27 -4.292 -12.861 1.132 1.00 0.00 O ATOM 381 CB TYR A 27 -1.596 -11.428 2.803 1.00 0.00 C ATOM 382 CG TYR A 27 -0.159 -10.953 2.658 1.00 0.00 C ATOM 383 CD1 TYR A 27 0.691 -11.544 1.706 1.00 0.00 C ATOM 384 CD2 TYR A 27 0.312 -9.878 3.433 1.00 0.00 C ATOM 385 CE1 TYR A 27 1.966 -11.008 1.468 1.00 0.00 C ATOM 386 CE2 TYR A 27 1.588 -9.340 3.196 1.00 0.00 C ATOM 387 CZ TYR A 27 2.409 -9.896 2.203 1.00 0.00 C ATOM 388 OH TYR A 27 3.639 -9.360 1.958 1.00 0.00 O ATOM 0 H TYR A 27 -2.957 -9.456 1.319 1.00 0.00 H new ATOM 0 HA TYR A 27 -1.927 -12.193 0.843 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -2.109 -10.780 3.514 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -1.592 -12.431 3.230 1.00 0.00 H new ATOM 0 HD1 TYR A 27 0.361 -12.413 1.156 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -0.310 -9.464 4.213 1.00 0.00 H new ATOM 0 HE1 TYR A 27 2.607 -11.451 0.720 1.00 0.00 H new ATOM 0 HE2 TYR A 27 1.937 -8.499 3.777 1.00 0.00 H new ATOM 0 HH TYR A 27 3.875 -9.500 1.017 1.00 0.00 H new ATOM 398 N TYR A 28 -4.579 -11.117 2.537 1.00 0.00 N ATOM 399 CA TYR A 28 -5.989 -11.355 2.816 1.00 0.00 C ATOM 400 C TYR A 28 -6.867 -10.640 1.786 1.00 0.00 C ATOM 401 O TYR A 28 -7.939 -11.131 1.437 1.00 0.00 O ATOM 402 CB TYR A 28 -6.318 -10.929 4.250 1.00 0.00 C ATOM 403 CG TYR A 28 -6.205 -9.443 4.537 1.00 0.00 C ATOM 404 CD1 TYR A 28 -7.316 -8.601 4.344 1.00 0.00 C ATOM 405 CD2 TYR A 28 -5.021 -8.920 5.086 1.00 0.00 C ATOM 406 CE1 TYR A 28 -7.248 -7.249 4.713 1.00 0.00 C ATOM 407 CE2 TYR A 28 -4.959 -7.573 5.471 1.00 0.00 C ATOM 408 CZ TYR A 28 -6.074 -6.737 5.291 1.00 0.00 C ATOM 409 OH TYR A 28 -6.015 -5.427 5.667 1.00 0.00 O ATOM 0 H TYR A 28 -4.198 -10.313 3.036 1.00 0.00 H new ATOM 0 HA TYR A 28 -6.200 -12.421 2.732 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -7.334 -11.249 4.480 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -5.654 -11.463 4.930 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -8.223 -8.996 3.911 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -4.158 -9.557 5.211 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -8.098 -6.602 4.553 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -4.053 -7.178 5.906 1.00 0.00 H new ATOM 0 HH TYR A 28 -5.133 -5.236 6.050 1.00 0.00 H new ATOM 419 N GLN A 29 -6.394 -9.484 1.306 1.00 0.00 N ATOM 420 CA GLN A 29 -6.989 -8.704 0.236 1.00 0.00 C ATOM 421 C GLN A 29 -6.220 -8.937 -1.060 1.00 0.00 C ATOM 422 O GLN A 29 -5.073 -9.383 -1.038 1.00 0.00 O ATOM 423 CB GLN A 29 -7.001 -7.207 0.595 1.00 0.00 C ATOM 424 CG GLN A 29 -5.639 -6.490 0.561 1.00 0.00 C ATOM 425 CD GLN A 29 -4.736 -6.836 1.742 1.00 0.00 C ATOM 426 OE1 GLN A 29 -4.127 -7.903 1.778 1.00 0.00 O ATOM 427 NE2 GLN A 29 -4.631 -5.924 2.707 1.00 0.00 N ATOM 0 H GLN A 29 -5.546 -9.054 1.676 1.00 0.00 H new ATOM 0 HA GLN A 29 -8.021 -9.026 0.099 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -7.675 -6.695 -0.092 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -7.421 -7.098 1.595 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -5.126 -6.747 -0.366 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -5.805 -5.413 0.545 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -5.153 -5.050 2.642 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -4.029 -6.100 3.511 1.00 0.00 H new ATOM 436 N SER A 30 -6.841 -8.565 -2.183 1.00 0.00 N ATOM 437 CA SER A 30 -6.145 -8.422 -3.447 1.00 0.00 C ATOM 438 C SER A 30 -5.379 -7.104 -3.442 1.00 0.00 C ATOM 439 O SER A 30 -4.167 -7.091 -3.643 1.00 0.00 O ATOM 440 CB SER A 30 -7.137 -8.443 -4.616 1.00 0.00 C ATOM 441 OG SER A 30 -7.909 -9.620 -4.615 1.00 0.00 O ATOM 0 H SER A 30 -7.838 -8.357 -2.233 1.00 0.00 H new ATOM 0 HA SER A 30 -5.453 -9.255 -3.572 1.00 0.00 H new ATOM 0 HB2 SER A 30 -7.794 -7.575 -4.553 1.00 0.00 H new ATOM 0 HB3 SER A 30 -6.594 -8.364 -5.558 1.00 0.00 H new ATOM 0 HG SER A 30 -8.590 -9.565 -5.317 1.00 0.00 H new ATOM 447 N CYS A 31 -6.124 -6.000 -3.274 1.00 0.00 N ATOM 448 CA CYS A 31 -5.740 -4.645 -3.661 1.00 0.00 C ATOM 449 C CYS A 31 -4.993 -4.618 -4.994 1.00 0.00 C ATOM 450 O CYS A 31 -4.086 -3.818 -5.201 1.00 0.00 O ATOM 451 CB CYS A 31 -5.072 -3.879 -2.515 1.00 0.00 C ATOM 452 SG CYS A 31 -3.466 -4.467 -1.919 1.00 0.00 S ATOM 0 H CYS A 31 -7.049 -6.035 -2.846 1.00 0.00 H new ATOM 0 HA CYS A 31 -6.652 -4.080 -3.855 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -4.951 -2.843 -2.832 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -5.761 -3.876 -1.670 1.00 0.00 H new ATOM 457 N CYS A 32 -5.440 -5.484 -5.908 1.00 0.00 N ATOM 458 CA CYS A 32 -4.978 -5.620 -7.274 1.00 0.00 C ATOM 459 C CYS A 32 -6.174 -6.086 -8.099 1.00 0.00 C ATOM 460 O CYS A 32 -7.061 -6.737 -7.550 1.00 0.00 O ATOM 461 CB CYS A 32 -3.858 -6.659 -7.337 1.00 0.00 C ATOM 462 SG CYS A 32 -2.974 -6.657 -8.916 1.00 0.00 S ATOM 0 H CYS A 32 -6.183 -6.148 -5.689 1.00 0.00 H new ATOM 0 HA CYS A 32 -4.586 -4.677 -7.656 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -3.149 -6.470 -6.531 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -4.279 -7.649 -7.165 1.00 0.00 H new ATOM 467 N THR A 33 -6.194 -5.761 -9.398 1.00 0.00 N ATOM 468 CA THR A 33 -7.248 -6.092 -10.354 1.00 0.00 C ATOM 469 C THR A 33 -8.641 -5.649 -9.884 1.00 0.00 C ATOM 470 O THR A 33 -9.087 -4.559 -10.238 1.00 0.00 O ATOM 471 CB THR A 33 -7.189 -7.572 -10.784 1.00 0.00 C ATOM 472 OG1 THR A 33 -7.438 -8.468 -9.718 1.00 0.00 O ATOM 473 CG2 THR A 33 -5.834 -7.916 -11.410 1.00 0.00 C ATOM 0 H THR A 33 -5.435 -5.233 -9.828 1.00 0.00 H new ATOM 0 HA THR A 33 -7.054 -5.506 -11.252 1.00 0.00 H new ATOM 0 HB THR A 33 -7.982 -7.692 -11.522 1.00 0.00 H new ATOM 0 HG1 THR A 33 -7.247 -8.023 -8.866 1.00 0.00 H new ATOM 0 HG21 THR A 33 -5.824 -8.966 -11.702 1.00 0.00 H new ATOM 0 HG22 THR A 33 -5.671 -7.293 -12.289 1.00 0.00 H new ATOM 0 HG23 THR A 33 -5.041 -7.734 -10.684 1.00 0.00 H new ATOM 481 N ASP A 34 -9.325 -6.492 -9.103 1.00 0.00 N ATOM 482 CA ASP A 34 -10.658 -6.240 -8.573 1.00 0.00 C ATOM 483 C ASP A 34 -10.682 -5.039 -7.624 1.00 0.00 C ATOM 484 O ASP A 34 -11.726 -4.408 -7.466 1.00 0.00 O ATOM 485 CB ASP A 34 -11.173 -7.502 -7.870 1.00 0.00 C ATOM 486 CG ASP A 34 -10.372 -7.843 -6.616 1.00 0.00 C ATOM 487 OD1 ASP A 34 -10.709 -7.278 -5.553 1.00 0.00 O ATOM 488 OD2 ASP A 34 -9.440 -8.667 -6.735 1.00 0.00 O ATOM 0 H ASP A 34 -8.949 -7.396 -8.817 1.00 0.00 H new ATOM 0 HA ASP A 34 -11.316 -5.993 -9.406 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -12.220 -7.362 -7.601 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -11.131 -8.342 -8.563 1.00 0.00 H new ATOM 493 N TYR A 35 -9.546 -4.737 -6.986 1.00 0.00 N ATOM 494 CA TYR A 35 -9.405 -3.661 -6.019 1.00 0.00 C ATOM 495 C TYR A 35 -8.027 -3.022 -6.219 1.00 0.00 C ATOM 496 O TYR A 35 -7.217 -3.538 -6.985 1.00 0.00 O ATOM 497 CB TYR A 35 -9.631 -4.260 -4.620 1.00 0.00 C ATOM 498 CG TYR A 35 -9.536 -3.321 -3.431 1.00 0.00 C ATOM 499 CD1 TYR A 35 -10.169 -2.066 -3.454 1.00 0.00 C ATOM 500 CD2 TYR A 35 -8.818 -3.712 -2.286 1.00 0.00 C ATOM 501 CE1 TYR A 35 -9.920 -1.138 -2.432 1.00 0.00 C ATOM 502 CE2 TYR A 35 -8.556 -2.780 -1.270 1.00 0.00 C ATOM 503 CZ TYR A 35 -9.053 -1.472 -1.379 1.00 0.00 C ATOM 504 OH TYR A 35 -8.685 -0.521 -0.474 1.00 0.00 O ATOM 0 H TYR A 35 -8.679 -5.253 -7.138 1.00 0.00 H new ATOM 0 HA TYR A 35 -10.138 -2.864 -6.146 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -10.619 -4.720 -4.607 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -8.905 -5.060 -4.475 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -10.846 -1.817 -4.258 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -8.469 -4.729 -2.189 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -10.394 -0.168 -2.455 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -7.974 -3.068 -0.407 1.00 0.00 H new ATOM 0 HH TYR A 35 -7.722 -0.585 -0.305 1.00 0.00 H new ATOM 514 N THR A 36 -7.774 -1.879 -5.577 1.00 0.00 N ATOM 515 CA THR A 36 -6.542 -1.109 -5.680 1.00 0.00 C ATOM 516 C THR A 36 -6.585 -0.056 -4.566 1.00 0.00 C ATOM 517 O THR A 36 -7.234 -0.287 -3.548 1.00 0.00 O ATOM 518 CB THR A 36 -6.393 -0.529 -7.104 1.00 0.00 C ATOM 519 OG1 THR A 36 -5.161 0.150 -7.249 1.00 0.00 O ATOM 520 CG2 THR A 36 -7.548 0.398 -7.504 1.00 0.00 C ATOM 0 H THR A 36 -8.452 -1.451 -4.947 1.00 0.00 H new ATOM 0 HA THR A 36 -5.651 -1.720 -5.537 1.00 0.00 H new ATOM 0 HB THR A 36 -6.419 -1.385 -7.778 1.00 0.00 H new ATOM 0 HG1 THR A 36 -5.089 0.507 -8.159 1.00 0.00 H new ATOM 0 HG21 THR A 36 -7.382 0.771 -8.515 1.00 0.00 H new ATOM 0 HG22 THR A 36 -8.487 -0.155 -7.471 1.00 0.00 H new ATOM 0 HG23 THR A 36 -7.597 1.238 -6.811 1.00 0.00 H new ATOM 528 N ALA A 37 -5.932 1.095 -4.763 1.00 0.00 N ATOM 529 CA ALA A 37 -6.021 2.286 -3.931 1.00 0.00 C ATOM 530 C ALA A 37 -5.288 2.126 -2.600 1.00 0.00 C ATOM 531 O ALA A 37 -4.288 2.804 -2.379 1.00 0.00 O ATOM 532 CB ALA A 37 -7.473 2.744 -3.745 1.00 0.00 C ATOM 0 H ALA A 37 -5.296 1.221 -5.550 1.00 0.00 H new ATOM 0 HA ALA A 37 -5.504 3.082 -4.467 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -7.496 3.635 -3.118 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -7.910 2.973 -4.717 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -8.047 1.950 -3.267 1.00 0.00 H new ATOM 538 N GLU A 38 -5.793 1.268 -1.706 1.00 0.00 N ATOM 539 CA GLU A 38 -5.262 1.130 -0.362 1.00 0.00 C ATOM 540 C GLU A 38 -5.110 -0.334 0.028 1.00 0.00 C ATOM 541 O GLU A 38 -5.940 -1.168 -0.330 1.00 0.00 O ATOM 542 CB GLU A 38 -6.165 1.847 0.646 1.00 0.00 C ATOM 543 CG GLU A 38 -6.191 3.362 0.438 1.00 0.00 C ATOM 544 CD GLU A 38 -6.979 4.032 1.556 1.00 0.00 C ATOM 545 OE1 GLU A 38 -8.228 3.993 1.475 1.00 0.00 O ATOM 546 OE2 GLU A 38 -6.325 4.520 2.502 1.00 0.00 O ATOM 0 H GLU A 38 -6.582 0.653 -1.903 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.274 1.590 -0.349 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -7.179 1.455 0.563 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -5.820 1.629 1.657 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -5.173 3.751 0.417 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -6.642 3.597 -0.526 1.00 0.00 H new ATOM 553 N CYS A 39 -4.059 -0.625 0.803 1.00 0.00 N ATOM 554 CA CYS A 39 -3.860 -1.913 1.440 1.00 0.00 C ATOM 555 C CYS A 39 -5.019 -2.182 2.393 1.00 0.00 C ATOM 556 O CYS A 39 -5.675 -3.220 2.312 1.00 0.00 O ATOM 557 CB CYS A 39 -2.529 -1.912 2.201 1.00 0.00 C ATOM 558 SG CYS A 39 -2.165 -3.510 2.951 1.00 0.00 S ATOM 0 H CYS A 39 -3.316 0.045 1.003 1.00 0.00 H new ATOM 0 HA CYS A 39 -3.828 -2.700 0.686 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -1.723 -1.642 1.518 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -2.558 -1.147 2.977 1.00 0.00 H new ATOM 563 N LYS A 40 -5.281 -1.206 3.269 1.00 0.00 N ATOM 564 CA LYS A 40 -6.458 -1.149 4.116 1.00 0.00 C ATOM 565 C LYS A 40 -7.696 -1.280 3.221 1.00 0.00 C ATOM 566 O LYS A 40 -7.786 -0.556 2.231 1.00 0.00 O ATOM 567 CB LYS A 40 -6.420 0.187 4.877 1.00 0.00 C ATOM 568 CG LYS A 40 -7.501 0.372 5.953 1.00 0.00 C ATOM 569 CD LYS A 40 -8.902 0.791 5.474 1.00 0.00 C ATOM 570 CE LYS A 40 -8.915 2.110 4.689 1.00 0.00 C ATOM 571 NZ LYS A 40 -8.837 1.897 3.234 1.00 0.00 N ATOM 0 H LYS A 40 -4.654 -0.413 3.406 1.00 0.00 H new ATOM 0 HA LYS A 40 -6.489 -1.957 4.847 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -5.443 0.287 5.349 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -6.510 0.998 4.155 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -7.597 -0.565 6.501 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -7.148 1.121 6.662 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -9.314 0.001 4.846 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -9.559 0.886 6.339 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -9.825 2.661 4.925 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -8.076 2.728 5.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -8.678 2.808 2.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -8.050 1.252 3.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -9.728 1.480 2.896 1.00 0.00 H new ATOM 585 N PRO A 41 -8.626 -2.204 3.517 1.00 0.00 N ATOM 586 CA PRO A 41 -9.740 -2.525 2.641 1.00 0.00 C ATOM 587 C PRO A 41 -10.773 -1.396 2.628 1.00 0.00 C ATOM 588 O PRO A 41 -11.687 -1.367 3.451 1.00 0.00 O ATOM 589 CB PRO A 41 -10.306 -3.841 3.182 1.00 0.00 C ATOM 590 CG PRO A 41 -9.969 -3.792 4.668 1.00 0.00 C ATOM 591 CD PRO A 41 -8.610 -3.099 4.662 1.00 0.00 C ATOM 0 HA PRO A 41 -9.435 -2.634 1.600 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -11.381 -3.913 3.017 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -9.850 -4.704 2.696 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -10.711 -3.231 5.236 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -9.917 -4.788 5.108 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -8.449 -2.547 5.588 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -7.801 -3.825 4.579 1.00 0.00 H new ATOM 599 N GLN A 42 -10.631 -0.474 1.669 1.00 0.00 N ATOM 600 CA GLN A 42 -11.589 0.588 1.408 1.00 0.00 C ATOM 601 C GLN A 42 -12.877 -0.052 0.895 1.00 0.00 C ATOM 602 O GLN A 42 -13.948 0.169 1.455 1.00 0.00 O ATOM 603 CB GLN A 42 -10.991 1.567 0.391 1.00 0.00 C ATOM 604 CG GLN A 42 -11.826 2.843 0.265 1.00 0.00 C ATOM 605 CD GLN A 42 -11.294 3.732 -0.853 1.00 0.00 C ATOM 606 OE1 GLN A 42 -11.977 3.952 -1.850 1.00 0.00 O ATOM 607 NE2 GLN A 42 -10.072 4.244 -0.699 1.00 0.00 N ATOM 0 H GLN A 42 -9.826 -0.452 1.043 1.00 0.00 H new ATOM 0 HA GLN A 42 -11.816 1.152 2.313 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -9.976 1.826 0.691 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -10.922 1.081 -0.582 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -12.866 2.584 0.066 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -11.809 3.389 1.208 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -9.535 4.038 0.144 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -9.674 4.841 -1.424 1.00 0.00 H new ATOM 616 N VAL A 43 -12.742 -0.904 -0.126 1.00 0.00 N ATOM 617 CA VAL A 43 -13.751 -1.890 -0.464 1.00 0.00 C ATOM 618 C VAL A 43 -13.664 -2.949 0.632 1.00 0.00 C ATOM 619 O VAL A 43 -12.689 -3.694 0.684 1.00 0.00 O ATOM 620 CB VAL A 43 -13.475 -2.475 -1.859 1.00 0.00 C ATOM 621 CG1 VAL A 43 -14.460 -3.604 -2.187 1.00 0.00 C ATOM 622 CG2 VAL A 43 -13.602 -1.385 -2.929 1.00 0.00 C ATOM 0 H VAL A 43 -11.926 -0.923 -0.737 1.00 0.00 H new ATOM 0 HA VAL A 43 -14.754 -1.466 -0.511 1.00 0.00 H new ATOM 0 HB VAL A 43 -12.461 -2.874 -1.854 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -14.242 -4.000 -3.179 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -14.360 -4.400 -1.449 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -15.478 -3.216 -2.167 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -13.404 -1.814 -3.911 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -14.611 -0.972 -2.910 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -12.882 -0.592 -2.728 1.00 0.00 H new ATOM 632 N THR A 44 -14.656 -2.971 1.527 1.00 0.00 N ATOM 633 CA THR A 44 -14.626 -3.759 2.748 1.00 0.00 C ATOM 634 C THR A 44 -14.573 -5.251 2.425 1.00 0.00 C ATOM 635 O THR A 44 -15.372 -5.741 1.628 1.00 0.00 O ATOM 636 CB THR A 44 -15.859 -3.425 3.595 1.00 0.00 C ATOM 637 OG1 THR A 44 -17.027 -3.555 2.810 1.00 0.00 O ATOM 638 CG2 THR A 44 -15.780 -1.999 4.148 1.00 0.00 C ATOM 0 H THR A 44 -15.514 -2.430 1.415 1.00 0.00 H new ATOM 0 HA THR A 44 -13.728 -3.513 3.315 1.00 0.00 H new ATOM 0 HB THR A 44 -15.892 -4.122 4.433 1.00 0.00 H new ATOM 0 HG1 THR A 44 -16.941 -4.335 2.222 1.00 0.00 H new ATOM 0 HG21 THR A 44 -16.668 -1.790 4.745 1.00 0.00 H new ATOM 0 HG22 THR A 44 -14.892 -1.899 4.772 1.00 0.00 H new ATOM 0 HG23 THR A 44 -15.724 -1.291 3.321 1.00 0.00 H new ATOM 646 N ARG A 45 -13.622 -5.960 3.044 1.00 0.00 N ATOM 647 CA ARG A 45 -13.372 -7.374 2.822 1.00 0.00 C ATOM 648 C ARG A 45 -12.476 -7.908 3.937 1.00 0.00 C ATOM 649 O ARG A 45 -11.933 -7.135 4.726 1.00 0.00 O ATOM 650 CB ARG A 45 -12.722 -7.590 1.447 1.00 0.00 C ATOM 651 CG ARG A 45 -11.400 -6.820 1.311 1.00 0.00 C ATOM 652 CD ARG A 45 -10.768 -6.982 -0.070 1.00 0.00 C ATOM 653 NE ARG A 45 -11.659 -6.532 -1.145 1.00 0.00 N ATOM 654 CZ ARG A 45 -11.388 -6.692 -2.450 1.00 0.00 C ATOM 655 NH1 ARG A 45 -10.211 -7.198 -2.840 1.00 0.00 N ATOM 656 NH2 ARG A 45 -12.293 -6.357 -3.376 1.00 0.00 N ATOM 0 H ARG A 45 -12.992 -5.547 3.731 1.00 0.00 H new ATOM 0 HA ARG A 45 -14.316 -7.918 2.836 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -12.540 -8.654 1.295 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -13.411 -7.269 0.665 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -11.578 -5.762 1.504 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -10.700 -7.169 2.070 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -9.838 -6.415 -0.110 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -10.510 -8.029 -0.229 1.00 0.00 H new ATOM 0 HE ARG A 45 -12.532 -6.072 -0.887 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -9.515 -7.464 -2.144 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -10.011 -7.317 -3.833 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -13.196 -5.977 -3.092 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -12.080 -6.481 -4.366 1.00 0.00 H new ATOM 670 N GLY A 46 -12.311 -9.233 3.976 1.00 0.00 N ATOM 671 CA GLY A 46 -11.415 -9.919 4.889 1.00 0.00 C ATOM 672 C GLY A 46 -10.971 -11.214 4.224 1.00 0.00 C ATOM 673 O GLY A 46 -9.822 -11.336 3.807 1.00 0.00 O ATOM 0 H GLY A 46 -12.813 -9.867 3.355 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -10.553 -9.293 5.119 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -11.919 -10.128 5.833 1.00 0.00 H new ATOM 677 N ASP A 47 -11.906 -12.161 4.096 1.00 0.00 N ATOM 678 CA ASP A 47 -11.729 -13.387 3.336 1.00 0.00 C ATOM 679 C ASP A 47 -12.063 -13.127 1.861 1.00 0.00 C ATOM 680 O ASP A 47 -12.077 -11.973 1.429 1.00 0.00 O ATOM 681 CB ASP A 47 -12.587 -14.496 3.964 1.00 0.00 C ATOM 682 CG ASP A 47 -14.083 -14.259 3.776 1.00 0.00 C ATOM 683 OD1 ASP A 47 -14.553 -13.186 4.213 1.00 0.00 O ATOM 684 OD2 ASP A 47 -14.728 -15.157 3.190 1.00 0.00 O ATOM 0 H ASP A 47 -12.826 -12.088 4.531 1.00 0.00 H new ATOM 0 HA ASP A 47 -10.693 -13.723 3.370 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -12.316 -15.454 3.521 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -12.365 -14.563 5.029 1.00 0.00 H new ATOM 689 N VAL A 48 -12.314 -14.199 1.096 1.00 0.00 N ATOM 690 CA VAL A 48 -12.633 -14.197 -0.330 1.00 0.00 C ATOM 691 C VAL A 48 -11.383 -13.901 -1.160 1.00 0.00 C ATOM 692 O VAL A 48 -10.910 -14.761 -1.900 1.00 0.00 O ATOM 693 CB VAL A 48 -13.816 -13.270 -0.686 1.00 0.00 C ATOM 694 CG1 VAL A 48 -14.178 -13.412 -2.170 1.00 0.00 C ATOM 695 CG2 VAL A 48 -15.056 -13.600 0.153 1.00 0.00 C ATOM 0 H VAL A 48 -12.298 -15.143 1.483 1.00 0.00 H new ATOM 0 HA VAL A 48 -12.974 -15.200 -0.587 1.00 0.00 H new ATOM 0 HB VAL A 48 -13.502 -12.248 -0.473 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -15.013 -12.753 -2.405 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -13.318 -13.141 -2.782 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -14.460 -14.444 -2.378 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -15.870 -12.930 -0.122 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -15.357 -14.631 -0.032 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -14.824 -13.474 1.211 1.00 0.00 H new ATOM 705 N PHE A 49 -10.861 -12.677 -1.047 1.00 0.00 N ATOM 706 CA PHE A 49 -9.812 -12.141 -1.904 1.00 0.00 C ATOM 707 C PHE A 49 -8.427 -12.518 -1.374 1.00 0.00 C ATOM 708 O PHE A 49 -7.514 -11.694 -1.374 1.00 0.00 O ATOM 709 CB PHE A 49 -9.987 -10.622 -1.966 1.00 0.00 C ATOM 710 CG PHE A 49 -11.323 -10.177 -2.523 1.00 0.00 C ATOM 711 CD1 PHE A 49 -11.500 -10.055 -3.912 1.00 0.00 C ATOM 712 CD2 PHE A 49 -12.389 -9.883 -1.656 1.00 0.00 C ATOM 713 CE1 PHE A 49 -12.732 -9.623 -4.429 1.00 0.00 C ATOM 714 CE2 PHE A 49 -13.623 -9.457 -2.172 1.00 0.00 C ATOM 715 CZ PHE A 49 -13.794 -9.325 -3.561 1.00 0.00 C ATOM 0 H PHE A 49 -11.169 -12.016 -0.334 1.00 0.00 H new ATOM 0 HA PHE A 49 -9.891 -12.565 -2.905 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -9.869 -10.212 -0.963 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -9.191 -10.200 -2.579 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -10.688 -10.294 -4.582 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -12.258 -9.985 -0.589 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -12.863 -9.520 -5.496 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -14.440 -9.231 -1.503 1.00 0.00 H new ATOM 0 HZ PHE A 49 -14.742 -8.995 -3.960 1.00 0.00 H new ATOM 725 N THR A 50 -8.271 -13.764 -0.916 1.00 0.00 N ATOM 726 CA THR A 50 -7.094 -14.218 -0.200 1.00 0.00 C ATOM 727 C THR A 50 -6.017 -14.671 -1.188 1.00 0.00 C ATOM 728 O THR A 50 -5.677 -15.852 -1.237 1.00 0.00 O ATOM 729 CB THR A 50 -7.504 -15.331 0.775 1.00 0.00 C ATOM 730 OG1 THR A 50 -8.129 -16.382 0.070 1.00 0.00 O ATOM 731 CG2 THR A 50 -8.476 -14.806 1.836 1.00 0.00 C ATOM 0 H THR A 50 -8.976 -14.491 -1.039 1.00 0.00 H new ATOM 0 HA THR A 50 -6.663 -13.403 0.381 1.00 0.00 H new ATOM 0 HB THR A 50 -6.601 -15.691 1.267 1.00 0.00 H new ATOM 0 HG1 THR A 50 -7.535 -16.697 -0.643 1.00 0.00 H new ATOM 0 HG21 THR A 50 -8.749 -15.616 2.512 1.00 0.00 H new ATOM 0 HG22 THR A 50 -7.999 -14.006 2.402 1.00 0.00 H new ATOM 0 HG23 THR A 50 -9.373 -14.422 1.350 1.00 0.00 H new ATOM 739 N MET A 51 -5.488 -13.722 -1.970 1.00 0.00 N ATOM 740 CA MET A 51 -4.398 -13.944 -2.910 1.00 0.00 C ATOM 741 C MET A 51 -3.116 -13.321 -2.365 1.00 0.00 C ATOM 742 O MET A 51 -2.044 -13.898 -2.536 1.00 0.00 O ATOM 743 CB MET A 51 -4.759 -13.408 -4.303 1.00 0.00 C ATOM 744 CG MET A 51 -5.099 -11.914 -4.340 1.00 0.00 C ATOM 745 SD MET A 51 -5.414 -11.258 -6.002 1.00 0.00 S ATOM 746 CE MET A 51 -3.713 -11.013 -6.576 1.00 0.00 C ATOM 0 H MET A 51 -5.819 -12.757 -1.962 1.00 0.00 H new ATOM 0 HA MET A 51 -4.229 -15.015 -3.022 1.00 0.00 H new ATOM 0 HB2 MET A 51 -3.924 -13.595 -4.978 1.00 0.00 H new ATOM 0 HB3 MET A 51 -5.610 -13.971 -4.686 1.00 0.00 H new ATOM 0 HG2 MET A 51 -5.979 -11.739 -3.721 1.00 0.00 H new ATOM 0 HG3 MET A 51 -4.277 -11.356 -3.892 1.00 0.00 H new ATOM 0 HE1 MET A 51 -3.725 -10.611 -7.589 1.00 0.00 H new ATOM 0 HE2 MET A 51 -3.203 -10.313 -5.914 1.00 0.00 H new ATOM 0 HE3 MET A 51 -3.186 -11.967 -6.570 1.00 0.00 H new TER 756 MET A 51 HETATM 757 O OH A 52 -3.255 -12.138 -1.705 1.00 0.00 O