USER MOD reduce.3.24.130724 H: found=0, std=0, add=357, rem=0, adj=17 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 36 THR OG1 : rot 180:sc= 0.425 USER MOD Set 1.2: A 42 GLN : amide:sc= 0.649 K(o=1.1,f=-3.4!) USER MOD Set 2.1: A 29 GLN : amide:sc= 1.09 K(o=1.6,f=-1) USER MOD Set 2.2: A 35 TYR OH : rot 5:sc= 0.556 USER MOD Single : A 1 ASP N :NH3+ 169:sc= 2.03 (180deg=1.71) USER MOD Single : A 2 GLN : amide:sc= 0.781 K(o=0.78,f=0) USER MOD Single : A 4 SER OG : rot 8:sc= 0.234 USER MOD Single : A 6 LYS NZ :NH3+ -160:sc= 3.35 (180deg=2) USER MOD Single : A 10 THR OG1 : rot -52:sc= 0.948 USER MOD Single : A 14 ASN : amide:sc= -0.239 X(o=-0.24,f=-0.27) USER MOD Single : A 17 LYS NZ :NH3+ 162:sc= 1.59 (180deg=1.2) USER MOD Single : A 18 LYS NZ :NH3+ -176:sc= 1.12 (180deg=0.91) USER MOD Single : A 20 GLN : amide:sc= -0.0297 K(o=-0.03,f=-2.8!) USER MOD Single : A 26 SER OG : rot 118:sc= 1.2 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 30 SER OG : rot 5:sc= 1.51 USER MOD Single : A 33 THR OG1 : rot -17:sc= 0.718 USER MOD Single : A 40 LYS NZ :NH3+ -167:sc= 1.38 (180deg=1.11) USER MOD Single : A 44 THR OG1 : rot 46:sc= 0.974 USER MOD Single : A 50 THR OG1 : rot -59:sc= 0.853 USER MOD Single : A 51 MET CE :methyl -131:sc= 0 (180deg=-0.0378) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 6.094 -2.222 -1.243 1.00 0.00 N ATOM 2 CA ASP A 1 6.848 -2.042 0.010 1.00 0.00 C ATOM 3 C ASP A 1 7.937 -3.098 0.174 1.00 0.00 C ATOM 4 O ASP A 1 9.121 -2.768 0.193 1.00 0.00 O ATOM 5 CB ASP A 1 5.928 -2.043 1.233 1.00 0.00 C ATOM 6 CG ASP A 1 4.905 -0.924 1.153 1.00 0.00 C ATOM 7 OD1 ASP A 1 5.327 0.249 1.217 1.00 0.00 O ATOM 8 OD2 ASP A 1 3.712 -1.269 1.023 1.00 0.00 O ATOM 0 H1 ASP A 1 5.253 -1.611 -1.233 1.00 0.00 H new ATOM 0 H2 ASP A 1 6.697 -1.967 -2.051 1.00 0.00 H new ATOM 0 H3 ASP A 1 5.799 -3.215 -1.331 1.00 0.00 H new ATOM 0 HA ASP A 1 7.327 -1.065 -0.057 1.00 0.00 H new ATOM 0 HB2 ASP A 1 5.416 -3.003 1.305 1.00 0.00 H new ATOM 0 HB3 ASP A 1 6.523 -1.931 2.139 1.00 0.00 H new ATOM 15 N GLN A 2 7.527 -4.362 0.315 1.00 0.00 N ATOM 16 CA GLN A 2 8.419 -5.471 0.622 1.00 0.00 C ATOM 17 C GLN A 2 9.321 -5.760 -0.577 1.00 0.00 C ATOM 18 O GLN A 2 10.538 -5.847 -0.433 1.00 0.00 O ATOM 19 CB GLN A 2 7.586 -6.702 1.002 1.00 0.00 C ATOM 20 CG GLN A 2 6.848 -6.482 2.328 1.00 0.00 C ATOM 21 CD GLN A 2 5.998 -7.694 2.696 1.00 0.00 C ATOM 22 OE1 GLN A 2 6.478 -8.616 3.351 1.00 0.00 O ATOM 23 NE2 GLN A 2 4.728 -7.694 2.286 1.00 0.00 N ATOM 0 H GLN A 2 6.551 -4.642 0.217 1.00 0.00 H new ATOM 0 HA GLN A 2 9.057 -5.211 1.467 1.00 0.00 H new ATOM 0 HB2 GLN A 2 6.865 -6.915 0.212 1.00 0.00 H new ATOM 0 HB3 GLN A 2 8.236 -7.573 1.084 1.00 0.00 H new ATOM 0 HG2 GLN A 2 7.570 -6.287 3.121 1.00 0.00 H new ATOM 0 HG3 GLN A 2 6.213 -5.599 2.251 1.00 0.00 H new ATOM 0 HE21 GLN A 2 4.367 -6.909 1.744 1.00 0.00 H new ATOM 0 HE22 GLN A 2 4.118 -8.479 2.515 1.00 0.00 H new ATOM 32 N GLU A 3 8.707 -5.877 -1.757 1.00 0.00 N ATOM 33 CA GLU A 3 9.397 -6.024 -3.032 1.00 0.00 C ATOM 34 C GLU A 3 10.318 -4.827 -3.280 1.00 0.00 C ATOM 35 O GLU A 3 11.526 -4.994 -3.438 1.00 0.00 O ATOM 36 CB GLU A 3 8.413 -6.221 -4.205 1.00 0.00 C ATOM 37 CG GLU A 3 6.914 -6.106 -3.887 1.00 0.00 C ATOM 38 CD GLU A 3 6.505 -4.747 -3.324 1.00 0.00 C ATOM 39 OE1 GLU A 3 6.906 -3.726 -3.922 1.00 0.00 O ATOM 40 OE2 GLU A 3 5.810 -4.753 -2.284 1.00 0.00 O ATOM 0 H GLU A 3 7.691 -5.871 -1.850 1.00 0.00 H new ATOM 0 HA GLU A 3 10.005 -6.927 -2.976 1.00 0.00 H new ATOM 0 HB2 GLU A 3 8.653 -5.488 -4.975 1.00 0.00 H new ATOM 0 HB3 GLU A 3 8.593 -7.206 -4.636 1.00 0.00 H new ATOM 0 HG2 GLU A 3 6.344 -6.299 -4.796 1.00 0.00 H new ATOM 0 HG3 GLU A 3 6.644 -6.882 -3.171 1.00 0.00 H new ATOM 47 N SER A 4 9.740 -3.624 -3.324 1.00 0.00 N ATOM 48 CA SER A 4 10.447 -2.360 -3.457 1.00 0.00 C ATOM 49 C SER A 4 9.607 -1.294 -2.763 1.00 0.00 C ATOM 50 O SER A 4 8.417 -1.510 -2.556 1.00 0.00 O ATOM 51 CB SER A 4 10.646 -2.024 -4.939 1.00 0.00 C ATOM 52 OG SER A 4 11.590 -2.902 -5.516 1.00 0.00 O ATOM 0 H SER A 4 8.729 -3.506 -3.265 1.00 0.00 H new ATOM 0 HA SER A 4 11.435 -2.414 -2.999 1.00 0.00 H new ATOM 0 HB2 SER A 4 9.696 -2.101 -5.468 1.00 0.00 H new ATOM 0 HB3 SER A 4 10.986 -0.994 -5.043 1.00 0.00 H new ATOM 0 HG SER A 4 11.811 -3.611 -4.877 1.00 0.00 H new ATOM 58 N CYS A 5 10.217 -0.165 -2.384 1.00 0.00 N ATOM 59 CA CYS A 5 9.582 0.858 -1.561 1.00 0.00 C ATOM 60 C CYS A 5 8.562 1.645 -2.389 1.00 0.00 C ATOM 61 O CYS A 5 8.821 2.768 -2.817 1.00 0.00 O ATOM 62 CB CYS A 5 10.665 1.742 -0.925 1.00 0.00 C ATOM 63 SG CYS A 5 10.238 2.540 0.651 1.00 0.00 S ATOM 0 H CYS A 5 11.176 0.062 -2.646 1.00 0.00 H new ATOM 0 HA CYS A 5 9.022 0.400 -0.746 1.00 0.00 H new ATOM 0 HB2 CYS A 5 11.555 1.132 -0.769 1.00 0.00 H new ATOM 0 HB3 CYS A 5 10.933 2.520 -1.640 1.00 0.00 H new ATOM 68 N LYS A 6 7.399 1.031 -2.619 1.00 0.00 N ATOM 69 CA LYS A 6 6.313 1.575 -3.415 1.00 0.00 C ATOM 70 C LYS A 6 4.982 1.270 -2.732 1.00 0.00 C ATOM 71 O LYS A 6 4.931 0.477 -1.791 1.00 0.00 O ATOM 72 CB LYS A 6 6.382 1.005 -4.838 1.00 0.00 C ATOM 73 CG LYS A 6 5.781 -0.402 -4.963 1.00 0.00 C ATOM 74 CD LYS A 6 6.103 -0.985 -6.343 1.00 0.00 C ATOM 75 CE LYS A 6 5.110 -2.071 -6.773 1.00 0.00 C ATOM 76 NZ LYS A 6 4.882 -3.076 -5.725 1.00 0.00 N ATOM 0 H LYS A 6 7.187 0.108 -2.239 1.00 0.00 H new ATOM 0 HA LYS A 6 6.403 2.658 -3.493 1.00 0.00 H new ATOM 0 HB2 LYS A 6 5.857 1.678 -5.516 1.00 0.00 H new ATOM 0 HB3 LYS A 6 7.423 0.977 -5.160 1.00 0.00 H new ATOM 0 HG2 LYS A 6 6.182 -1.049 -4.183 1.00 0.00 H new ATOM 0 HG3 LYS A 6 4.701 -0.360 -4.819 1.00 0.00 H new ATOM 0 HD2 LYS A 6 6.100 -0.183 -7.081 1.00 0.00 H new ATOM 0 HD3 LYS A 6 7.110 -1.403 -6.330 1.00 0.00 H new ATOM 0 HE2 LYS A 6 4.161 -1.606 -7.038 1.00 0.00 H new ATOM 0 HE3 LYS A 6 5.484 -2.565 -7.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 4.494 -3.941 -6.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 5.782 -3.296 -5.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 4.208 -2.703 -5.027 1.00 0.00 H new ATOM 90 N GLY A 7 3.907 1.892 -3.223 1.00 0.00 N ATOM 91 CA GLY A 7 2.580 1.760 -2.653 1.00 0.00 C ATOM 92 C GLY A 7 2.490 2.590 -1.378 1.00 0.00 C ATOM 93 O GLY A 7 2.404 3.814 -1.455 1.00 0.00 O ATOM 0 H GLY A 7 3.943 2.506 -4.037 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.830 2.093 -3.370 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.369 0.713 -2.434 1.00 0.00 H new ATOM 97 N ARG A 8 2.494 1.941 -0.206 1.00 0.00 N ATOM 98 CA ARG A 8 2.372 2.654 1.059 1.00 0.00 C ATOM 99 C ARG A 8 3.589 3.554 1.252 1.00 0.00 C ATOM 100 O ARG A 8 3.432 4.727 1.590 1.00 0.00 O ATOM 101 CB ARG A 8 2.194 1.684 2.232 1.00 0.00 C ATOM 102 CG ARG A 8 0.827 0.987 2.182 1.00 0.00 C ATOM 103 CD ARG A 8 0.746 -0.138 3.216 1.00 0.00 C ATOM 104 NE ARG A 8 1.686 -1.205 2.870 1.00 0.00 N ATOM 105 CZ ARG A 8 2.024 -2.245 3.642 1.00 0.00 C ATOM 106 NH1 ARG A 8 1.404 -2.465 4.810 1.00 0.00 N ATOM 107 NH2 ARG A 8 3.001 -3.061 3.227 1.00 0.00 N ATOM 0 H ARG A 8 2.580 0.929 -0.114 1.00 0.00 H new ATOM 0 HA ARG A 8 1.478 3.276 1.031 1.00 0.00 H new ATOM 0 HB2 ARG A 8 2.986 0.936 2.210 1.00 0.00 H new ATOM 0 HB3 ARG A 8 2.293 2.226 3.172 1.00 0.00 H new ATOM 0 HG2 ARG A 8 0.037 1.715 2.368 1.00 0.00 H new ATOM 0 HG3 ARG A 8 0.658 0.582 1.184 1.00 0.00 H new ATOM 0 HD2 ARG A 8 0.975 0.252 4.208 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -0.269 -0.535 3.255 1.00 0.00 H new ATOM 0 HE ARG A 8 2.126 -1.151 1.952 1.00 0.00 H new ATOM 0 HH11 ARG A 8 0.664 -1.836 5.121 1.00 0.00 H new ATOM 0 HH12 ARG A 8 1.672 -3.262 5.388 1.00 0.00 H new ATOM 0 HH21 ARG A 8 3.471 -2.884 2.339 1.00 0.00 H new ATOM 0 HH22 ARG A 8 3.276 -3.860 3.799 1.00 0.00 H new ATOM 121 N CYS A 9 4.786 3.022 0.980 1.00 0.00 N ATOM 122 CA CYS A 9 5.985 3.825 0.827 1.00 0.00 C ATOM 123 C CYS A 9 5.821 4.739 -0.386 1.00 0.00 C ATOM 124 O CYS A 9 5.817 4.269 -1.521 1.00 0.00 O ATOM 125 CB CYS A 9 7.210 2.925 0.660 1.00 0.00 C ATOM 126 SG CYS A 9 8.717 3.853 0.267 1.00 0.00 S ATOM 0 H CYS A 9 4.941 2.021 0.861 1.00 0.00 H new ATOM 0 HA CYS A 9 6.133 4.433 1.719 1.00 0.00 H new ATOM 0 HB2 CYS A 9 7.367 2.359 1.578 1.00 0.00 H new ATOM 0 HB3 CYS A 9 7.018 2.201 -0.132 1.00 0.00 H new ATOM 131 N THR A 10 5.683 6.042 -0.132 1.00 0.00 N ATOM 132 CA THR A 10 5.565 7.066 -1.156 1.00 0.00 C ATOM 133 C THR A 10 6.918 7.307 -1.826 1.00 0.00 C ATOM 134 O THR A 10 6.978 7.561 -3.027 1.00 0.00 O ATOM 135 CB THR A 10 5.021 8.345 -0.509 1.00 0.00 C ATOM 136 OG1 THR A 10 3.800 8.046 0.135 1.00 0.00 O ATOM 137 CG2 THR A 10 4.775 9.446 -1.544 1.00 0.00 C ATOM 0 H THR A 10 5.650 6.417 0.816 1.00 0.00 H new ATOM 0 HA THR A 10 4.874 6.742 -1.934 1.00 0.00 H new ATOM 0 HB THR A 10 5.763 8.707 0.202 1.00 0.00 H new ATOM 0 HG1 THR A 10 3.199 7.597 -0.496 1.00 0.00 H new ATOM 0 HG21 THR A 10 4.390 10.335 -1.045 1.00 0.00 H new ATOM 0 HG22 THR A 10 5.711 9.689 -2.046 1.00 0.00 H new ATOM 0 HG23 THR A 10 4.048 9.099 -2.279 1.00 0.00 H new ATOM 145 N GLU A 11 7.991 7.246 -1.030 1.00 0.00 N ATOM 146 CA GLU A 11 9.316 7.729 -1.373 1.00 0.00 C ATOM 147 C GLU A 11 9.825 7.145 -2.692 1.00 0.00 C ATOM 148 O GLU A 11 10.243 7.898 -3.570 1.00 0.00 O ATOM 149 CB GLU A 11 10.302 7.432 -0.233 1.00 0.00 C ATOM 150 CG GLU A 11 9.862 7.997 1.126 1.00 0.00 C ATOM 151 CD GLU A 11 9.004 7.015 1.926 1.00 0.00 C ATOM 152 OE1 GLU A 11 9.607 6.212 2.669 1.00 0.00 O ATOM 153 OE2 GLU A 11 7.765 7.077 1.771 1.00 0.00 O ATOM 0 H GLU A 11 7.949 6.841 -0.095 1.00 0.00 H new ATOM 0 HA GLU A 11 9.243 8.808 -1.511 1.00 0.00 H new ATOM 0 HB2 GLU A 11 10.427 6.353 -0.145 1.00 0.00 H new ATOM 0 HB3 GLU A 11 11.277 7.846 -0.490 1.00 0.00 H new ATOM 0 HG2 GLU A 11 10.745 8.259 1.709 1.00 0.00 H new ATOM 0 HG3 GLU A 11 9.300 8.917 0.967 1.00 0.00 H new ATOM 160 N GLY A 12 9.804 5.815 -2.829 1.00 0.00 N ATOM 161 CA GLY A 12 10.424 5.133 -3.953 1.00 0.00 C ATOM 162 C GLY A 12 9.472 4.894 -5.125 1.00 0.00 C ATOM 163 O GLY A 12 9.720 3.984 -5.914 1.00 0.00 O ATOM 0 H GLY A 12 9.356 5.188 -2.161 1.00 0.00 H new ATOM 0 HA2 GLY A 12 11.274 5.721 -4.300 1.00 0.00 H new ATOM 0 HA3 GLY A 12 10.817 4.175 -3.614 1.00 0.00 H new ATOM 167 N PHE A 13 8.415 5.706 -5.278 1.00 0.00 N ATOM 168 CA PHE A 13 7.606 5.720 -6.493 1.00 0.00 C ATOM 169 C PHE A 13 6.872 7.056 -6.626 1.00 0.00 C ATOM 170 O PHE A 13 7.202 8.013 -5.928 1.00 0.00 O ATOM 171 CB PHE A 13 6.694 4.481 -6.588 1.00 0.00 C ATOM 172 CG PHE A 13 5.302 4.575 -5.985 1.00 0.00 C ATOM 173 CD1 PHE A 13 5.114 4.992 -4.656 1.00 0.00 C ATOM 174 CD2 PHE A 13 4.190 4.180 -6.751 1.00 0.00 C ATOM 175 CE1 PHE A 13 3.823 5.015 -4.104 1.00 0.00 C ATOM 176 CE2 PHE A 13 2.906 4.172 -6.186 1.00 0.00 C ATOM 177 CZ PHE A 13 2.723 4.583 -4.859 1.00 0.00 C ATOM 0 H PHE A 13 8.103 6.365 -4.565 1.00 0.00 H new ATOM 0 HA PHE A 13 8.262 5.644 -7.360 1.00 0.00 H new ATOM 0 HB2 PHE A 13 6.585 4.226 -7.642 1.00 0.00 H new ATOM 0 HB3 PHE A 13 7.210 3.648 -6.110 1.00 0.00 H new ATOM 0 HD1 PHE A 13 5.962 5.295 -4.060 1.00 0.00 H new ATOM 0 HD2 PHE A 13 4.326 3.881 -7.780 1.00 0.00 H new ATOM 0 HE1 PHE A 13 3.677 5.367 -3.094 1.00 0.00 H new ATOM 0 HE2 PHE A 13 2.059 3.849 -6.773 1.00 0.00 H new ATOM 0 HZ PHE A 13 1.737 4.567 -4.419 1.00 0.00 H new ATOM 187 N ASN A 14 5.896 7.130 -7.540 1.00 0.00 N ATOM 188 CA ASN A 14 5.095 8.319 -7.788 1.00 0.00 C ATOM 189 C ASN A 14 3.656 7.892 -8.071 1.00 0.00 C ATOM 190 O ASN A 14 3.422 6.741 -8.432 1.00 0.00 O ATOM 191 CB ASN A 14 5.703 9.101 -8.958 1.00 0.00 C ATOM 192 CG ASN A 14 4.983 10.421 -9.208 1.00 0.00 C ATOM 193 OD1 ASN A 14 4.362 10.607 -10.251 1.00 0.00 O ATOM 194 ND2 ASN A 14 5.062 11.345 -8.249 1.00 0.00 N ATOM 0 H ASN A 14 5.642 6.343 -8.137 1.00 0.00 H new ATOM 0 HA ASN A 14 5.089 8.975 -6.918 1.00 0.00 H new ATOM 0 HB2 ASN A 14 6.756 9.297 -8.753 1.00 0.00 H new ATOM 0 HB3 ASN A 14 5.662 8.491 -9.860 1.00 0.00 H new ATOM 0 HD21 ASN A 14 4.596 12.245 -8.368 1.00 0.00 H new ATOM 0 HD22 ASN A 14 5.588 11.152 -7.397 1.00 0.00 H new ATOM 201 N VAL A 15 2.706 8.817 -7.872 1.00 0.00 N ATOM 202 CA VAL A 15 1.269 8.573 -7.877 1.00 0.00 C ATOM 203 C VAL A 15 0.942 7.695 -6.672 1.00 0.00 C ATOM 204 O VAL A 15 0.927 6.470 -6.778 1.00 0.00 O ATOM 205 CB VAL A 15 0.761 8.001 -9.216 1.00 0.00 C ATOM 206 CG1 VAL A 15 -0.769 7.892 -9.205 1.00 0.00 C ATOM 207 CG2 VAL A 15 1.179 8.902 -10.382 1.00 0.00 C ATOM 0 H VAL A 15 2.935 9.795 -7.696 1.00 0.00 H new ATOM 0 HA VAL A 15 0.733 9.517 -7.786 1.00 0.00 H new ATOM 0 HB VAL A 15 1.201 7.012 -9.343 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -1.112 7.487 -10.157 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -1.081 7.231 -8.396 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -1.203 8.880 -9.054 1.00 0.00 H new ATOM 0 HG21 VAL A 15 0.811 8.481 -11.317 1.00 0.00 H new ATOM 0 HG22 VAL A 15 0.758 9.898 -10.242 1.00 0.00 H new ATOM 0 HG23 VAL A 15 2.266 8.970 -10.418 1.00 0.00 H new ATOM 217 N ASP A 16 0.719 8.341 -5.522 1.00 0.00 N ATOM 218 CA ASP A 16 0.641 7.700 -4.217 1.00 0.00 C ATOM 219 C ASP A 16 -0.716 7.025 -3.989 1.00 0.00 C ATOM 220 O ASP A 16 -1.444 7.370 -3.061 1.00 0.00 O ATOM 221 CB ASP A 16 0.971 8.739 -3.137 1.00 0.00 C ATOM 222 CG ASP A 16 1.071 8.128 -1.741 1.00 0.00 C ATOM 223 OD1 ASP A 16 1.786 7.112 -1.594 1.00 0.00 O ATOM 224 OD2 ASP A 16 0.443 8.696 -0.821 1.00 0.00 O ATOM 0 H ASP A 16 0.585 9.351 -5.479 1.00 0.00 H new ATOM 0 HA ASP A 16 1.374 6.895 -4.165 1.00 0.00 H new ATOM 0 HB2 ASP A 16 1.914 9.226 -3.384 1.00 0.00 H new ATOM 0 HB3 ASP A 16 0.203 9.512 -3.136 1.00 0.00 H new ATOM 229 N LYS A 17 -1.034 6.026 -4.821 1.00 0.00 N ATOM 230 CA LYS A 17 -2.105 5.080 -4.564 1.00 0.00 C ATOM 231 C LYS A 17 -1.489 3.941 -3.755 1.00 0.00 C ATOM 232 O LYS A 17 -0.655 3.194 -4.261 1.00 0.00 O ATOM 233 CB LYS A 17 -2.792 4.648 -5.870 1.00 0.00 C ATOM 234 CG LYS A 17 -1.906 3.925 -6.896 1.00 0.00 C ATOM 235 CD LYS A 17 -2.611 3.779 -8.253 1.00 0.00 C ATOM 236 CE LYS A 17 -4.006 3.139 -8.180 1.00 0.00 C ATOM 237 NZ LYS A 17 -3.984 1.807 -7.549 1.00 0.00 N ATOM 0 H LYS A 17 -0.544 5.857 -5.699 1.00 0.00 H new ATOM 0 HA LYS A 17 -2.917 5.519 -3.984 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -3.627 3.994 -5.618 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -3.213 5.534 -6.345 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -0.976 4.478 -7.027 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -1.640 2.939 -6.516 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -2.701 4.765 -8.710 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -1.983 3.178 -8.912 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -4.673 3.793 -7.618 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -4.416 3.054 -9.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -4.945 1.550 -7.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -3.637 1.105 -8.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -3.354 1.825 -6.721 1.00 0.00 H new ATOM 251 N LYS A 18 -1.837 3.870 -2.466 1.00 0.00 N ATOM 252 CA LYS A 18 -1.094 3.070 -1.507 1.00 0.00 C ATOM 253 C LYS A 18 -1.312 1.567 -1.686 1.00 0.00 C ATOM 254 O LYS A 18 -0.440 0.785 -1.315 1.00 0.00 O ATOM 255 CB LYS A 18 -1.350 3.565 -0.081 1.00 0.00 C ATOM 256 CG LYS A 18 -0.766 4.973 0.088 1.00 0.00 C ATOM 257 CD LYS A 18 -0.677 5.345 1.572 1.00 0.00 C ATOM 258 CE LYS A 18 0.004 6.701 1.782 1.00 0.00 C ATOM 259 NZ LYS A 18 1.370 6.745 1.225 1.00 0.00 N ATOM 0 H LYS A 18 -2.636 4.364 -2.068 1.00 0.00 H new ATOM 0 HA LYS A 18 -0.032 3.211 -1.707 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.421 3.578 0.124 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -0.896 2.883 0.638 1.00 0.00 H new ATOM 0 HG2 LYS A 18 0.225 5.018 -0.364 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -1.389 5.697 -0.437 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -1.679 5.372 2.000 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -0.123 4.574 2.107 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -0.599 7.481 1.317 1.00 0.00 H new ATOM 0 HE3 LYS A 18 0.044 6.922 2.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 1.809 7.660 1.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 1.937 5.976 1.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 1.328 6.630 0.192 1.00 0.00 H new ATOM 273 N CYS A 19 -2.417 1.170 -2.322 1.00 0.00 N ATOM 274 CA CYS A 19 -2.483 -0.072 -3.069 1.00 0.00 C ATOM 275 C CYS A 19 -2.025 0.263 -4.479 1.00 0.00 C ATOM 276 O CYS A 19 -2.730 0.971 -5.193 1.00 0.00 O ATOM 277 CB CYS A 19 -3.913 -0.625 -3.096 1.00 0.00 C ATOM 278 SG CYS A 19 -4.225 -1.816 -4.425 1.00 0.00 S ATOM 0 H CYS A 19 -3.285 1.705 -2.329 1.00 0.00 H new ATOM 0 HA CYS A 19 -1.857 -0.837 -2.609 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -4.124 -1.102 -2.139 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -4.610 0.207 -3.198 1.00 0.00 H new ATOM 283 N GLN A 20 -0.857 -0.250 -4.876 1.00 0.00 N ATOM 284 CA GLN A 20 -0.381 -0.192 -6.245 1.00 0.00 C ATOM 285 C GLN A 20 -0.602 -1.564 -6.876 1.00 0.00 C ATOM 286 O GLN A 20 -1.302 -1.672 -7.880 1.00 0.00 O ATOM 287 CB GLN A 20 1.088 0.240 -6.265 1.00 0.00 C ATOM 288 CG GLN A 20 1.579 0.427 -7.706 1.00 0.00 C ATOM 289 CD GLN A 20 3.009 0.949 -7.759 1.00 0.00 C ATOM 290 OE1 GLN A 20 3.650 1.126 -6.728 1.00 0.00 O ATOM 291 NE2 GLN A 20 3.519 1.195 -8.968 1.00 0.00 N ATOM 0 H GLN A 20 -0.213 -0.722 -4.241 1.00 0.00 H new ATOM 0 HA GLN A 20 -0.929 0.548 -6.828 1.00 0.00 H new ATOM 0 HB2 GLN A 20 1.206 1.172 -5.712 1.00 0.00 H new ATOM 0 HB3 GLN A 20 1.699 -0.509 -5.762 1.00 0.00 H new ATOM 0 HG2 GLN A 20 1.521 -0.524 -8.235 1.00 0.00 H new ATOM 0 HG3 GLN A 20 0.920 1.122 -8.226 1.00 0.00 H new ATOM 0 HE21 GLN A 20 2.954 1.035 -9.802 1.00 0.00 H new ATOM 0 HE22 GLN A 20 4.474 1.543 -9.058 1.00 0.00 H new ATOM 300 N CYS A 21 -0.027 -2.604 -6.262 1.00 0.00 N ATOM 301 CA CYS A 21 -0.242 -3.990 -6.639 1.00 0.00 C ATOM 302 C CYS A 21 0.157 -4.903 -5.481 1.00 0.00 C ATOM 303 O CYS A 21 -0.690 -5.610 -4.939 1.00 0.00 O ATOM 304 CB CYS A 21 0.530 -4.328 -7.922 1.00 0.00 C ATOM 305 SG CYS A 21 0.327 -6.030 -8.516 1.00 0.00 S ATOM 0 H CYS A 21 0.612 -2.495 -5.475 1.00 0.00 H new ATOM 0 HA CYS A 21 -1.300 -4.148 -6.850 1.00 0.00 H new ATOM 0 HB2 CYS A 21 0.212 -3.644 -8.709 1.00 0.00 H new ATOM 0 HB3 CYS A 21 1.590 -4.144 -7.749 1.00 0.00 H new ATOM 310 N ASP A 22 1.444 -4.891 -5.116 1.00 0.00 N ATOM 311 CA ASP A 22 2.030 -5.835 -4.175 1.00 0.00 C ATOM 312 C ASP A 22 1.801 -5.370 -2.733 1.00 0.00 C ATOM 313 O ASP A 22 0.697 -5.529 -2.212 1.00 0.00 O ATOM 314 CB ASP A 22 3.506 -6.050 -4.521 1.00 0.00 C ATOM 315 CG ASP A 22 3.684 -6.462 -5.978 1.00 0.00 C ATOM 316 OD1 ASP A 22 3.534 -7.670 -6.254 1.00 0.00 O ATOM 317 OD2 ASP A 22 3.960 -5.546 -6.785 1.00 0.00 O ATOM 0 H ASP A 22 2.114 -4.211 -5.476 1.00 0.00 H new ATOM 0 HA ASP A 22 1.538 -6.804 -4.257 1.00 0.00 H new ATOM 0 HB2 ASP A 22 4.063 -5.132 -4.331 1.00 0.00 H new ATOM 0 HB3 ASP A 22 3.925 -6.818 -3.871 1.00 0.00 H new ATOM 322 N GLU A 23 2.839 -4.793 -2.104 1.00 0.00 N ATOM 323 CA GLU A 23 2.821 -4.113 -0.819 1.00 0.00 C ATOM 324 C GLU A 23 2.750 -5.099 0.341 1.00 0.00 C ATOM 325 O GLU A 23 3.705 -5.229 1.105 1.00 0.00 O ATOM 326 CB GLU A 23 1.729 -3.032 -0.747 1.00 0.00 C ATOM 327 CG GLU A 23 2.045 -1.832 -1.648 1.00 0.00 C ATOM 328 CD GLU A 23 1.899 -2.123 -3.137 1.00 0.00 C ATOM 329 OE1 GLU A 23 0.736 -2.207 -3.583 1.00 0.00 O ATOM 330 OE2 GLU A 23 2.948 -2.253 -3.808 1.00 0.00 O ATOM 0 H GLU A 23 3.772 -4.795 -2.517 1.00 0.00 H new ATOM 0 HA GLU A 23 3.771 -3.587 -0.722 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.772 -3.464 -1.041 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.622 -2.693 0.283 1.00 0.00 H new ATOM 0 HG2 GLU A 23 1.384 -1.007 -1.382 1.00 0.00 H new ATOM 0 HG3 GLU A 23 3.064 -1.500 -1.451 1.00 0.00 H new ATOM 337 N LEU A 24 1.603 -5.764 0.468 1.00 0.00 N ATOM 338 CA LEU A 24 1.233 -6.661 1.553 1.00 0.00 C ATOM 339 C LEU A 24 -0.180 -7.153 1.268 1.00 0.00 C ATOM 340 O LEU A 24 -0.461 -8.345 1.369 1.00 0.00 O ATOM 341 CB LEU A 24 1.286 -5.935 2.906 1.00 0.00 C ATOM 342 CG LEU A 24 0.710 -6.753 4.073 1.00 0.00 C ATOM 343 CD1 LEU A 24 1.514 -8.031 4.330 1.00 0.00 C ATOM 344 CD2 LEU A 24 0.723 -5.879 5.328 1.00 0.00 C ATOM 0 H LEU A 24 0.863 -5.683 -0.230 1.00 0.00 H new ATOM 0 HA LEU A 24 1.930 -7.497 1.610 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.322 -5.680 3.130 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.736 -4.997 2.826 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.306 -7.054 3.817 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.072 -8.578 5.163 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.499 -8.656 3.437 1.00 0.00 H new ATOM 0 HD13 LEU A 24 2.544 -7.770 4.573 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.317 -6.443 6.168 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.747 -5.580 5.552 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.114 -4.991 5.159 1.00 0.00 H new ATOM 356 N CYS A 25 -1.059 -6.210 0.912 1.00 0.00 N ATOM 357 CA CYS A 25 -2.450 -6.447 0.571 1.00 0.00 C ATOM 358 C CYS A 25 -2.607 -7.504 -0.522 1.00 0.00 C ATOM 359 O CYS A 25 -3.579 -8.248 -0.488 1.00 0.00 O ATOM 360 CB CYS A 25 -3.109 -5.125 0.180 1.00 0.00 C ATOM 361 SG CYS A 25 -3.535 -4.069 1.588 1.00 0.00 S ATOM 0 H CYS A 25 -0.802 -5.225 0.854 1.00 0.00 H new ATOM 0 HA CYS A 25 -2.956 -6.849 1.449 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -2.437 -4.578 -0.481 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -4.014 -5.337 -0.389 1.00 0.00 H new ATOM 366 N SER A 26 -1.653 -7.606 -1.458 1.00 0.00 N ATOM 367 CA SER A 26 -1.589 -8.693 -2.431 1.00 0.00 C ATOM 368 C SER A 26 -1.771 -10.066 -1.784 1.00 0.00 C ATOM 369 O SER A 26 -2.473 -10.915 -2.329 1.00 0.00 O ATOM 370 CB SER A 26 -0.245 -8.644 -3.151 1.00 0.00 C ATOM 371 OG SER A 26 0.804 -8.480 -2.219 1.00 0.00 O ATOM 0 H SER A 26 -0.899 -6.927 -1.558 1.00 0.00 H new ATOM 0 HA SER A 26 -2.409 -8.554 -3.136 1.00 0.00 H new ATOM 0 HB2 SER A 26 -0.095 -9.562 -3.720 1.00 0.00 H new ATOM 0 HB3 SER A 26 -0.237 -7.821 -3.866 1.00 0.00 H new ATOM 0 HG SER A 26 1.404 -9.253 -2.263 1.00 0.00 H new ATOM 377 N TYR A 27 -1.121 -10.275 -0.637 1.00 0.00 N ATOM 378 CA TYR A 27 -1.135 -11.529 0.097 1.00 0.00 C ATOM 379 C TYR A 27 -2.319 -11.536 1.064 1.00 0.00 C ATOM 380 O TYR A 27 -3.055 -12.518 1.138 1.00 0.00 O ATOM 381 CB TYR A 27 0.207 -11.702 0.824 1.00 0.00 C ATOM 382 CG TYR A 27 1.413 -11.285 -0.003 1.00 0.00 C ATOM 383 CD1 TYR A 27 1.598 -11.811 -1.296 1.00 0.00 C ATOM 384 CD2 TYR A 27 2.252 -10.251 0.451 1.00 0.00 C ATOM 385 CE1 TYR A 27 2.582 -11.274 -2.143 1.00 0.00 C ATOM 386 CE2 TYR A 27 3.232 -9.711 -0.398 1.00 0.00 C ATOM 387 CZ TYR A 27 3.384 -10.208 -1.702 1.00 0.00 C ATOM 388 OH TYR A 27 4.302 -9.644 -2.539 1.00 0.00 O ATOM 0 H TYR A 27 -0.557 -9.554 -0.187 1.00 0.00 H new ATOM 0 HA TYR A 27 -1.258 -12.372 -0.582 1.00 0.00 H new ATOM 0 HB2 TYR A 27 0.189 -11.117 1.743 1.00 0.00 H new ATOM 0 HB3 TYR A 27 0.321 -12.747 1.113 1.00 0.00 H new ATOM 0 HD1 TYR A 27 0.982 -12.630 -1.638 1.00 0.00 H new ATOM 0 HD2 TYR A 27 2.142 -9.871 1.456 1.00 0.00 H new ATOM 0 HE1 TYR A 27 2.722 -11.681 -3.134 1.00 0.00 H new ATOM 0 HE2 TYR A 27 3.869 -8.913 -0.047 1.00 0.00 H new ATOM 0 HH TYR A 27 4.768 -8.919 -2.072 1.00 0.00 H new ATOM 398 N TYR A 28 -2.505 -10.428 1.792 1.00 0.00 N ATOM 399 CA TYR A 28 -3.616 -10.229 2.708 1.00 0.00 C ATOM 400 C TYR A 28 -4.870 -9.881 1.901 1.00 0.00 C ATOM 401 O TYR A 28 -5.222 -8.711 1.763 1.00 0.00 O ATOM 402 CB TYR A 28 -3.233 -9.151 3.729 1.00 0.00 C ATOM 403 CG TYR A 28 -4.328 -8.792 4.714 1.00 0.00 C ATOM 404 CD1 TYR A 28 -4.729 -9.723 5.688 1.00 0.00 C ATOM 405 CD2 TYR A 28 -4.941 -7.527 4.662 1.00 0.00 C ATOM 406 CE1 TYR A 28 -5.754 -9.399 6.593 1.00 0.00 C ATOM 407 CE2 TYR A 28 -5.951 -7.198 5.579 1.00 0.00 C ATOM 408 CZ TYR A 28 -6.364 -8.135 6.540 1.00 0.00 C ATOM 409 OH TYR A 28 -7.351 -7.818 7.425 1.00 0.00 O ATOM 0 H TYR A 28 -1.869 -9.632 1.754 1.00 0.00 H new ATOM 0 HA TYR A 28 -3.839 -11.136 3.270 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -2.360 -9.491 4.286 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -2.937 -8.250 3.192 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -4.249 -10.689 5.741 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -4.634 -6.809 3.916 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -6.073 -10.122 7.329 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -6.412 -6.222 5.546 1.00 0.00 H new ATOM 0 HH TYR A 28 -7.665 -6.906 7.252 1.00 0.00 H new ATOM 419 N GLN A 29 -5.514 -10.922 1.359 1.00 0.00 N ATOM 420 CA GLN A 29 -6.583 -10.873 0.370 1.00 0.00 C ATOM 421 C GLN A 29 -5.960 -10.533 -0.986 1.00 0.00 C ATOM 422 O GLN A 29 -5.271 -11.378 -1.552 1.00 0.00 O ATOM 423 CB GLN A 29 -7.750 -9.970 0.804 1.00 0.00 C ATOM 424 CG GLN A 29 -8.976 -10.161 -0.101 1.00 0.00 C ATOM 425 CD GLN A 29 -10.081 -9.163 0.231 1.00 0.00 C ATOM 426 OE1 GLN A 29 -10.206 -8.721 1.370 1.00 0.00 O ATOM 427 NE2 GLN A 29 -10.871 -8.777 -0.769 1.00 0.00 N ATOM 0 H GLN A 29 -5.283 -11.880 1.621 1.00 0.00 H new ATOM 0 HA GLN A 29 -7.063 -11.847 0.276 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -8.020 -10.193 1.836 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -7.434 -8.927 0.776 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -8.681 -10.044 -1.144 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -9.357 -11.176 0.011 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -10.738 -9.165 -1.703 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -11.609 -8.093 -0.601 1.00 0.00 H new ATOM 436 N SER A 30 -6.182 -9.319 -1.502 1.00 0.00 N ATOM 437 CA SER A 30 -5.531 -8.802 -2.694 1.00 0.00 C ATOM 438 C SER A 30 -5.623 -7.279 -2.676 1.00 0.00 C ATOM 439 O SER A 30 -6.601 -6.730 -2.176 1.00 0.00 O ATOM 440 CB SER A 30 -6.189 -9.337 -3.966 1.00 0.00 C ATOM 441 OG SER A 30 -6.067 -10.739 -4.071 1.00 0.00 O ATOM 0 H SER A 30 -6.838 -8.658 -1.086 1.00 0.00 H new ATOM 0 HA SER A 30 -4.490 -9.126 -2.694 1.00 0.00 H new ATOM 0 HB2 SER A 30 -7.244 -9.063 -3.972 1.00 0.00 H new ATOM 0 HB3 SER A 30 -5.732 -8.866 -4.837 1.00 0.00 H new ATOM 0 HG SER A 30 -5.642 -11.092 -3.261 1.00 0.00 H new ATOM 447 N CYS A 31 -4.620 -6.616 -3.259 1.00 0.00 N ATOM 448 CA CYS A 31 -4.671 -5.213 -3.644 1.00 0.00 C ATOM 449 C CYS A 31 -4.774 -5.144 -5.161 1.00 0.00 C ATOM 450 O CYS A 31 -5.653 -4.467 -5.688 1.00 0.00 O ATOM 451 CB CYS A 31 -3.437 -4.464 -3.123 1.00 0.00 C ATOM 452 SG CYS A 31 -2.731 -3.192 -4.207 1.00 0.00 S ATOM 0 H CYS A 31 -3.728 -7.058 -3.480 1.00 0.00 H new ATOM 0 HA CYS A 31 -5.541 -4.728 -3.201 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -3.700 -3.994 -2.175 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -2.660 -5.198 -2.910 1.00 0.00 H new ATOM 457 N CYS A 32 -3.857 -5.837 -5.844 1.00 0.00 N ATOM 458 CA CYS A 32 -3.692 -5.771 -7.284 1.00 0.00 C ATOM 459 C CYS A 32 -4.993 -6.144 -7.993 1.00 0.00 C ATOM 460 O CYS A 32 -5.427 -7.291 -7.929 1.00 0.00 O ATOM 461 CB CYS A 32 -2.530 -6.681 -7.695 1.00 0.00 C ATOM 462 SG CYS A 32 -1.621 -6.135 -9.163 1.00 0.00 S ATOM 0 H CYS A 32 -3.198 -6.471 -5.393 1.00 0.00 H new ATOM 0 HA CYS A 32 -3.453 -4.751 -7.584 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -1.833 -6.756 -6.860 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -2.918 -7.683 -7.877 1.00 0.00 H new ATOM 467 N THR A 33 -5.616 -5.152 -8.642 1.00 0.00 N ATOM 468 CA THR A 33 -6.921 -5.239 -9.284 1.00 0.00 C ATOM 469 C THR A 33 -7.993 -5.826 -8.356 1.00 0.00 C ATOM 470 O THR A 33 -8.823 -6.622 -8.790 1.00 0.00 O ATOM 471 CB THR A 33 -6.826 -5.960 -10.644 1.00 0.00 C ATOM 472 OG1 THR A 33 -6.534 -7.335 -10.505 1.00 0.00 O ATOM 473 CG2 THR A 33 -5.766 -5.315 -11.544 1.00 0.00 C ATOM 0 H THR A 33 -5.199 -4.226 -8.734 1.00 0.00 H new ATOM 0 HA THR A 33 -7.254 -4.223 -9.494 1.00 0.00 H new ATOM 0 HB THR A 33 -7.808 -5.860 -11.106 1.00 0.00 H new ATOM 0 HG1 THR A 33 -6.185 -7.506 -9.605 1.00 0.00 H new ATOM 0 HG21 THR A 33 -5.724 -5.846 -12.495 1.00 0.00 H new ATOM 0 HG22 THR A 33 -6.026 -4.272 -11.723 1.00 0.00 H new ATOM 0 HG23 THR A 33 -4.793 -5.368 -11.055 1.00 0.00 H new ATOM 481 N ASP A 34 -7.985 -5.406 -7.083 1.00 0.00 N ATOM 482 CA ASP A 34 -8.966 -5.810 -6.083 1.00 0.00 C ATOM 483 C ASP A 34 -9.337 -4.609 -5.213 1.00 0.00 C ATOM 484 O ASP A 34 -10.501 -4.215 -5.184 1.00 0.00 O ATOM 485 CB ASP A 34 -8.415 -6.973 -5.258 1.00 0.00 C ATOM 486 CG ASP A 34 -9.481 -7.556 -4.334 1.00 0.00 C ATOM 487 OD1 ASP A 34 -9.592 -7.056 -3.194 1.00 0.00 O ATOM 488 OD2 ASP A 34 -10.154 -8.509 -4.779 1.00 0.00 O ATOM 0 H ASP A 34 -7.281 -4.764 -6.719 1.00 0.00 H new ATOM 0 HA ASP A 34 -9.877 -6.158 -6.570 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -8.045 -7.751 -5.926 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -7.566 -6.631 -4.666 1.00 0.00 H new ATOM 493 N TYR A 35 -8.345 -4.006 -4.543 1.00 0.00 N ATOM 494 CA TYR A 35 -8.508 -2.716 -3.884 1.00 0.00 C ATOM 495 C TYR A 35 -8.115 -1.626 -4.880 1.00 0.00 C ATOM 496 O TYR A 35 -7.221 -1.828 -5.700 1.00 0.00 O ATOM 497 CB TYR A 35 -7.654 -2.625 -2.612 1.00 0.00 C ATOM 498 CG TYR A 35 -7.845 -3.707 -1.560 1.00 0.00 C ATOM 499 CD1 TYR A 35 -9.054 -4.418 -1.439 1.00 0.00 C ATOM 500 CD2 TYR A 35 -6.801 -3.959 -0.651 1.00 0.00 C ATOM 501 CE1 TYR A 35 -9.201 -5.399 -0.444 1.00 0.00 C ATOM 502 CE2 TYR A 35 -6.954 -4.931 0.351 1.00 0.00 C ATOM 503 CZ TYR A 35 -8.148 -5.659 0.448 1.00 0.00 C ATOM 504 OH TYR A 35 -8.285 -6.598 1.427 1.00 0.00 O ATOM 0 H TYR A 35 -7.411 -4.404 -4.447 1.00 0.00 H new ATOM 0 HA TYR A 35 -9.546 -2.590 -3.575 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -6.605 -2.627 -2.910 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -7.851 -1.661 -2.143 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -9.871 -4.209 -2.113 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -5.878 -3.403 -0.724 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -10.124 -5.953 -0.365 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -6.150 -5.118 1.048 1.00 0.00 H new ATOM 0 HH TYR A 35 -9.146 -7.055 1.324 1.00 0.00 H new ATOM 514 N THR A 36 -8.801 -0.481 -4.831 1.00 0.00 N ATOM 515 CA THR A 36 -8.631 0.591 -5.797 1.00 0.00 C ATOM 516 C THR A 36 -7.433 1.467 -5.424 1.00 0.00 C ATOM 517 O THR A 36 -6.363 1.338 -6.018 1.00 0.00 O ATOM 518 CB THR A 36 -9.938 1.393 -5.911 1.00 0.00 C ATOM 519 OG1 THR A 36 -10.357 1.848 -4.639 1.00 0.00 O ATOM 520 CG2 THR A 36 -11.051 0.534 -6.519 1.00 0.00 C ATOM 0 H THR A 36 -9.494 -0.277 -4.111 1.00 0.00 H new ATOM 0 HA THR A 36 -8.414 0.172 -6.779 1.00 0.00 H new ATOM 0 HB THR A 36 -9.744 2.248 -6.559 1.00 0.00 H new ATOM 0 HG1 THR A 36 -11.189 2.357 -4.732 1.00 0.00 H new ATOM 0 HG21 THR A 36 -11.966 1.122 -6.590 1.00 0.00 H new ATOM 0 HG22 THR A 36 -10.753 0.204 -7.514 1.00 0.00 H new ATOM 0 HG23 THR A 36 -11.226 -0.336 -5.886 1.00 0.00 H new ATOM 528 N ALA A 37 -7.630 2.380 -4.467 1.00 0.00 N ATOM 529 CA ALA A 37 -6.677 3.422 -4.131 1.00 0.00 C ATOM 530 C ALA A 37 -5.660 2.929 -3.105 1.00 0.00 C ATOM 531 O ALA A 37 -4.481 2.835 -3.432 1.00 0.00 O ATOM 532 CB ALA A 37 -7.424 4.666 -3.643 1.00 0.00 C ATOM 0 H ALA A 37 -8.476 2.409 -3.898 1.00 0.00 H new ATOM 0 HA ALA A 37 -6.114 3.691 -5.025 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -6.706 5.446 -3.392 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -8.088 5.024 -4.430 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -8.011 4.415 -2.760 1.00 0.00 H new ATOM 538 N GLU A 38 -6.103 2.649 -1.872 1.00 0.00 N ATOM 539 CA GLU A 38 -5.231 2.367 -0.736 1.00 0.00 C ATOM 540 C GLU A 38 -5.201 0.876 -0.386 1.00 0.00 C ATOM 541 O GLU A 38 -6.154 0.147 -0.660 1.00 0.00 O ATOM 542 CB GLU A 38 -5.617 3.251 0.462 1.00 0.00 C ATOM 543 CG GLU A 38 -6.821 2.768 1.285 1.00 0.00 C ATOM 544 CD GLU A 38 -8.114 2.636 0.487 1.00 0.00 C ATOM 545 OE1 GLU A 38 -8.350 3.501 -0.383 1.00 0.00 O ATOM 546 OE2 GLU A 38 -8.858 1.667 0.755 1.00 0.00 O ATOM 0 H GLU A 38 -7.095 2.613 -1.637 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.209 2.620 -1.018 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -4.755 3.330 1.125 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -5.830 4.255 0.095 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -6.580 1.801 1.727 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -6.985 3.463 2.109 1.00 0.00 H new ATOM 553 N CYS A 39 -4.096 0.432 0.231 1.00 0.00 N ATOM 554 CA CYS A 39 -3.927 -0.925 0.735 1.00 0.00 C ATOM 555 C CYS A 39 -4.673 -1.043 2.062 1.00 0.00 C ATOM 556 O CYS A 39 -4.127 -0.753 3.124 1.00 0.00 O ATOM 557 CB CYS A 39 -2.433 -1.267 0.843 1.00 0.00 C ATOM 558 SG CYS A 39 -1.972 -2.757 1.787 1.00 0.00 S ATOM 0 H CYS A 39 -3.282 1.025 0.393 1.00 0.00 H new ATOM 0 HA CYS A 39 -4.353 -1.656 0.048 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -2.040 -1.375 -0.168 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -1.925 -0.414 1.293 1.00 0.00 H new ATOM 563 N LYS A 40 -5.937 -1.465 1.970 1.00 0.00 N ATOM 564 CA LYS A 40 -6.861 -1.620 3.081 1.00 0.00 C ATOM 565 C LYS A 40 -8.030 -2.452 2.555 1.00 0.00 C ATOM 566 O LYS A 40 -8.422 -2.246 1.408 1.00 0.00 O ATOM 567 CB LYS A 40 -7.365 -0.231 3.492 1.00 0.00 C ATOM 568 CG LYS A 40 -8.313 -0.228 4.698 1.00 0.00 C ATOM 569 CD LYS A 40 -9.002 1.137 4.829 1.00 0.00 C ATOM 570 CE LYS A 40 -10.410 1.161 4.213 1.00 0.00 C ATOM 571 NZ LYS A 40 -10.448 0.679 2.820 1.00 0.00 N ATOM 0 H LYS A 40 -6.357 -1.718 1.075 1.00 0.00 H new ATOM 0 HA LYS A 40 -6.393 -2.099 3.941 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -6.506 0.400 3.720 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -7.877 0.222 2.643 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -9.062 -1.012 4.583 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -7.756 -0.451 5.608 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -9.068 1.405 5.884 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -8.387 1.896 4.346 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -11.075 0.547 4.820 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -10.796 2.180 4.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -11.365 0.922 2.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -9.683 1.127 2.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -10.323 -0.353 2.806 1.00 0.00 H new ATOM 585 N PRO A 41 -8.626 -3.342 3.364 1.00 0.00 N ATOM 586 CA PRO A 41 -9.918 -3.947 3.083 1.00 0.00 C ATOM 587 C PRO A 41 -10.944 -2.940 2.561 1.00 0.00 C ATOM 588 O PRO A 41 -11.361 -2.040 3.289 1.00 0.00 O ATOM 589 CB PRO A 41 -10.352 -4.594 4.397 1.00 0.00 C ATOM 590 CG PRO A 41 -9.020 -4.995 5.021 1.00 0.00 C ATOM 591 CD PRO A 41 -8.121 -3.820 4.639 1.00 0.00 C ATOM 0 HA PRO A 41 -9.843 -4.681 2.280 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -10.904 -3.898 5.029 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -10.999 -5.456 4.231 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -9.096 -5.116 6.102 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -8.650 -5.939 4.620 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -8.159 -3.035 5.395 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -7.080 -4.133 4.556 1.00 0.00 H new ATOM 599 N GLN A 42 -11.330 -3.099 1.291 1.00 0.00 N ATOM 600 CA GLN A 42 -12.427 -2.380 0.663 1.00 0.00 C ATOM 601 C GLN A 42 -13.576 -3.364 0.485 1.00 0.00 C ATOM 602 O GLN A 42 -14.641 -3.200 1.076 1.00 0.00 O ATOM 603 CB GLN A 42 -11.995 -1.817 -0.696 1.00 0.00 C ATOM 604 CG GLN A 42 -10.969 -0.690 -0.553 1.00 0.00 C ATOM 605 CD GLN A 42 -10.607 -0.082 -1.905 1.00 0.00 C ATOM 606 OE1 GLN A 42 -11.090 -0.522 -2.946 1.00 0.00 O ATOM 607 NE2 GLN A 42 -9.754 0.941 -1.898 1.00 0.00 N ATOM 0 H GLN A 42 -10.869 -3.753 0.658 1.00 0.00 H new ATOM 0 HA GLN A 42 -12.734 -1.539 1.285 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -11.571 -2.618 -1.301 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -12.870 -1.444 -1.228 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -11.369 0.086 0.100 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -10.069 -1.076 -0.075 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -9.372 1.281 -1.015 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -9.483 1.385 -2.775 1.00 0.00 H new ATOM 616 N VAL A 43 -13.326 -4.393 -0.328 1.00 0.00 N ATOM 617 CA VAL A 43 -14.240 -5.482 -0.605 1.00 0.00 C ATOM 618 C VAL A 43 -13.842 -6.687 0.245 1.00 0.00 C ATOM 619 O VAL A 43 -12.663 -6.884 0.533 1.00 0.00 O ATOM 620 CB VAL A 43 -14.236 -5.806 -2.110 1.00 0.00 C ATOM 621 CG1 VAL A 43 -14.914 -4.676 -2.895 1.00 0.00 C ATOM 622 CG2 VAL A 43 -12.830 -6.036 -2.683 1.00 0.00 C ATOM 0 H VAL A 43 -12.442 -4.486 -0.828 1.00 0.00 H new ATOM 0 HA VAL A 43 -15.260 -5.200 -0.343 1.00 0.00 H new ATOM 0 HB VAL A 43 -14.788 -6.740 -2.219 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -14.906 -4.916 -3.958 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -15.944 -4.565 -2.556 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -14.375 -3.743 -2.729 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -12.903 -6.259 -3.747 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -12.228 -5.139 -2.541 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -12.360 -6.874 -2.168 1.00 0.00 H new ATOM 632 N THR A 44 -14.836 -7.486 0.645 1.00 0.00 N ATOM 633 CA THR A 44 -14.626 -8.699 1.421 1.00 0.00 C ATOM 634 C THR A 44 -14.108 -9.815 0.516 1.00 0.00 C ATOM 635 O THR A 44 -13.156 -10.503 0.880 1.00 0.00 O ATOM 636 CB THR A 44 -15.912 -9.089 2.174 1.00 0.00 C ATOM 637 OG1 THR A 44 -15.702 -10.284 2.895 1.00 0.00 O ATOM 638 CG2 THR A 44 -17.146 -9.291 1.284 1.00 0.00 C ATOM 0 H THR A 44 -15.817 -7.302 0.434 1.00 0.00 H new ATOM 0 HA THR A 44 -13.864 -8.520 2.179 1.00 0.00 H new ATOM 0 HB THR A 44 -16.122 -8.241 2.826 1.00 0.00 H new ATOM 0 HG1 THR A 44 -14.848 -10.232 3.372 1.00 0.00 H new ATOM 0 HG21 THR A 44 -18.001 -9.563 1.903 1.00 0.00 H new ATOM 0 HG22 THR A 44 -17.365 -8.366 0.750 1.00 0.00 H new ATOM 0 HG23 THR A 44 -16.950 -10.087 0.566 1.00 0.00 H new ATOM 646 N ARG A 45 -14.743 -9.972 -0.654 1.00 0.00 N ATOM 647 CA ARG A 45 -14.514 -11.031 -1.626 1.00 0.00 C ATOM 648 C ARG A 45 -14.955 -12.386 -1.070 1.00 0.00 C ATOM 649 O ARG A 45 -15.936 -12.954 -1.545 1.00 0.00 O ATOM 650 CB ARG A 45 -13.069 -11.011 -2.146 1.00 0.00 C ATOM 651 CG ARG A 45 -12.913 -11.937 -3.356 1.00 0.00 C ATOM 652 CD ARG A 45 -11.579 -11.684 -4.061 1.00 0.00 C ATOM 653 NE ARG A 45 -10.437 -12.041 -3.211 1.00 0.00 N ATOM 654 CZ ARG A 45 -9.154 -11.790 -3.513 1.00 0.00 C ATOM 655 NH1 ARG A 45 -8.840 -11.058 -4.590 1.00 0.00 N ATOM 656 NH2 ARG A 45 -8.175 -12.274 -2.738 1.00 0.00 N ATOM 0 H ARG A 45 -15.469 -9.323 -0.957 1.00 0.00 H new ATOM 0 HA ARG A 45 -15.139 -10.848 -2.500 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -12.791 -9.994 -2.423 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -12.388 -11.323 -1.354 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -12.969 -12.977 -3.034 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -13.735 -11.775 -4.053 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -11.540 -12.263 -4.984 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -11.509 -10.633 -4.341 1.00 0.00 H new ATOM 0 HE ARG A 45 -10.632 -12.513 -2.328 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -9.579 -10.687 -5.187 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -7.862 -10.872 -4.813 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -8.404 -12.834 -1.917 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -7.200 -12.082 -2.969 1.00 0.00 H new ATOM 670 N GLY A 46 -14.243 -12.895 -0.061 1.00 0.00 N ATOM 671 CA GLY A 46 -14.583 -14.129 0.620 1.00 0.00 C ATOM 672 C GLY A 46 -13.412 -14.571 1.487 1.00 0.00 C ATOM 673 O GLY A 46 -13.569 -14.805 2.683 1.00 0.00 O ATOM 0 H GLY A 46 -13.402 -12.448 0.305 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -15.471 -13.984 1.236 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -14.823 -14.904 -0.108 1.00 0.00 H new ATOM 677 N ASP A 47 -12.237 -14.688 0.863 1.00 0.00 N ATOM 678 CA ASP A 47 -11.012 -15.143 1.494 1.00 0.00 C ATOM 679 C ASP A 47 -10.400 -14.049 2.368 1.00 0.00 C ATOM 680 O ASP A 47 -10.552 -12.861 2.085 1.00 0.00 O ATOM 681 CB ASP A 47 -10.018 -15.579 0.411 1.00 0.00 C ATOM 682 CG ASP A 47 -9.679 -14.432 -0.537 1.00 0.00 C ATOM 683 OD1 ASP A 47 -10.576 -14.071 -1.331 1.00 0.00 O ATOM 684 OD2 ASP A 47 -8.540 -13.926 -0.459 1.00 0.00 O ATOM 0 H ASP A 47 -12.117 -14.460 -0.124 1.00 0.00 H new ATOM 0 HA ASP A 47 -11.244 -15.989 2.140 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -9.105 -15.945 0.881 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -10.439 -16.409 -0.157 1.00 0.00 H new ATOM 689 N VAL A 48 -9.694 -14.485 3.419 1.00 0.00 N ATOM 690 CA VAL A 48 -8.892 -13.667 4.318 1.00 0.00 C ATOM 691 C VAL A 48 -9.770 -12.720 5.139 1.00 0.00 C ATOM 692 O VAL A 48 -10.089 -13.031 6.286 1.00 0.00 O ATOM 693 CB VAL A 48 -7.735 -12.976 3.574 1.00 0.00 C ATOM 694 CG1 VAL A 48 -6.873 -12.163 4.549 1.00 0.00 C ATOM 695 CG2 VAL A 48 -6.843 -14.020 2.889 1.00 0.00 C ATOM 0 H VAL A 48 -9.670 -15.473 3.673 1.00 0.00 H new ATOM 0 HA VAL A 48 -8.411 -14.320 5.046 1.00 0.00 H new ATOM 0 HB VAL A 48 -8.169 -12.311 2.828 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -6.061 -11.683 4.003 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -7.487 -11.402 5.030 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -6.458 -12.826 5.308 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -6.029 -13.517 2.367 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -6.431 -14.695 3.639 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -7.435 -14.591 2.174 1.00 0.00 H new ATOM 705 N PHE A 49 -10.167 -11.577 4.565 1.00 0.00 N ATOM 706 CA PHE A 49 -11.050 -10.627 5.222 1.00 0.00 C ATOM 707 C PHE A 49 -12.497 -11.071 5.010 1.00 0.00 C ATOM 708 O PHE A 49 -13.275 -10.403 4.333 1.00 0.00 O ATOM 709 CB PHE A 49 -10.781 -9.212 4.696 1.00 0.00 C ATOM 710 CG PHE A 49 -11.409 -8.116 5.536 1.00 0.00 C ATOM 711 CD1 PHE A 49 -10.826 -7.758 6.763 1.00 0.00 C ATOM 712 CD2 PHE A 49 -12.578 -7.463 5.104 1.00 0.00 C ATOM 713 CE1 PHE A 49 -11.391 -6.736 7.542 1.00 0.00 C ATOM 714 CE2 PHE A 49 -13.148 -6.446 5.887 1.00 0.00 C ATOM 715 CZ PHE A 49 -12.551 -6.078 7.104 1.00 0.00 C ATOM 0 H PHE A 49 -9.879 -11.292 3.629 1.00 0.00 H new ATOM 0 HA PHE A 49 -10.861 -10.603 6.295 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -9.704 -9.050 4.651 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -11.158 -9.136 3.676 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -9.940 -8.271 7.108 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -13.038 -7.744 4.168 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -10.933 -6.456 8.479 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -14.046 -5.947 5.553 1.00 0.00 H new ATOM 0 HZ PHE A 49 -12.984 -5.290 7.702 1.00 0.00 H new ATOM 725 N THR A 50 -12.845 -12.224 5.586 1.00 0.00 N ATOM 726 CA THR A 50 -14.159 -12.825 5.457 1.00 0.00 C ATOM 727 C THR A 50 -15.194 -11.968 6.184 1.00 0.00 C ATOM 728 O THR A 50 -14.942 -11.495 7.292 1.00 0.00 O ATOM 729 CB THR A 50 -14.108 -14.248 6.029 1.00 0.00 C ATOM 730 OG1 THR A 50 -13.004 -14.936 5.478 1.00 0.00 O ATOM 731 CG2 THR A 50 -15.390 -15.028 5.727 1.00 0.00 C ATOM 0 H THR A 50 -12.205 -12.769 6.163 1.00 0.00 H new ATOM 0 HA THR A 50 -14.452 -12.879 4.408 1.00 0.00 H new ATOM 0 HB THR A 50 -14.007 -14.170 7.112 1.00 0.00 H new ATOM 0 HG1 THR A 50 -13.087 -14.959 4.502 1.00 0.00 H new ATOM 0 HG21 THR A 50 -15.314 -16.030 6.149 1.00 0.00 H new ATOM 0 HG22 THR A 50 -16.242 -14.512 6.169 1.00 0.00 H new ATOM 0 HG23 THR A 50 -15.528 -15.098 4.648 1.00 0.00 H new ATOM 739 N MET A 51 -16.366 -11.783 5.565 1.00 0.00 N ATOM 740 CA MET A 51 -17.479 -11.038 6.137 1.00 0.00 C ATOM 741 C MET A 51 -18.181 -11.865 7.222 1.00 0.00 C ATOM 742 O MET A 51 -19.338 -12.243 7.058 1.00 0.00 O ATOM 743 CB MET A 51 -18.436 -10.567 5.028 1.00 0.00 C ATOM 744 CG MET A 51 -18.858 -11.670 4.045 1.00 0.00 C ATOM 745 SD MET A 51 -20.245 -11.233 2.962 1.00 0.00 S ATOM 746 CE MET A 51 -21.623 -11.369 4.130 1.00 0.00 C ATOM 0 H MET A 51 -16.565 -12.156 4.637 1.00 0.00 H new ATOM 0 HA MET A 51 -17.099 -10.141 6.626 1.00 0.00 H new ATOM 0 HB2 MET A 51 -19.330 -10.147 5.490 1.00 0.00 H new ATOM 0 HB3 MET A 51 -17.958 -9.762 4.469 1.00 0.00 H new ATOM 0 HG2 MET A 51 -18.000 -11.933 3.426 1.00 0.00 H new ATOM 0 HG3 MET A 51 -19.126 -12.561 4.613 1.00 0.00 H new ATOM 0 HE1 MET A 51 -22.418 -11.969 3.687 1.00 0.00 H new ATOM 0 HE2 MET A 51 -21.277 -11.846 5.047 1.00 0.00 H new ATOM 0 HE3 MET A 51 -22.005 -10.374 4.360 1.00 0.00 H new TER 756 MET A 51 HETATM 757 O OH A 52 -17.449 -12.119 8.345 1.00 0.00 O