USER MOD reduce.3.24.130724 H: found=0, std=0, add=507, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 507 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 7 SER OG : rot 180:sc= 0.066 USER MOD Set 1.2: A 11 LYS NZ :NH3+ -143:sc= 0.0687 (180deg=0) USER MOD Single : A 1 SER N :NH3+ -152:sc= 0.00341 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= -0.153 USER MOD Single : A 6 SER OG : rot 95:sc= 0.975 USER MOD Single : A 8 CYS SG : rot -60:sc= -0.473 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN :FLIP amide:sc= -0.13 F(o=-1.5,f=-0.13) USER MOD Single : A 26 GLN : amide:sc= 0.0161 X(o=0.016,f=0) USER MOD Single : A 35 LYS NZ :NH3+ -142:sc= -0.749 (180deg=-2.88!) USER MOD Single : A 36 GLN :FLIP amide:sc= -0.323 F(o=-1.2,f=-0.32) USER MOD Single : A 47 THR OG1 : rot 96:sc= 1.18 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot -169:sc= 0.356 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 MET CE :methyl 160:sc= -0.276 (180deg=-1.67) USER MOD ----------------------------------------------------------------- ATOM 63 N SER A 1 -4.496 3.516 -9.067 1.00 0.00 N ATOM 64 CA SER A 1 -5.205 4.020 -10.237 1.00 0.00 C ATOM 65 C SER A 1 -5.004 3.096 -11.434 1.00 0.00 C ATOM 66 O SER A 1 -5.967 2.602 -12.019 1.00 0.00 O ATOM 67 CB SER A 1 -4.726 5.432 -10.581 1.00 0.00 C ATOM 68 OG SER A 1 -3.331 5.450 -10.830 1.00 0.00 O ATOM 0 H1 SER A 1 -4.983 3.831 -8.204 1.00 0.00 H new ATOM 0 H2 SER A 1 -4.477 2.477 -9.094 1.00 0.00 H new ATOM 0 H3 SER A 1 -3.522 3.880 -9.068 1.00 0.00 H new ATOM 0 HA SER A 1 -6.269 4.053 -10.001 1.00 0.00 H new ATOM 0 HB2 SER A 1 -5.260 5.797 -11.458 1.00 0.00 H new ATOM 0 HB3 SER A 1 -4.961 6.109 -9.760 1.00 0.00 H new ATOM 0 HG SER A 1 -3.050 6.363 -11.049 1.00 0.00 H new ATOM 74 N ALA A 2 -3.745 2.869 -11.793 1.00 0.00 N ATOM 75 CA ALA A 2 -3.416 2.003 -12.919 1.00 0.00 C ATOM 76 C ALA A 2 -3.848 0.565 -12.650 1.00 0.00 C ATOM 77 O ALA A 2 -4.021 -0.224 -13.579 1.00 0.00 O ATOM 78 CB ALA A 2 -1.924 2.062 -13.211 1.00 0.00 C ATOM 0 H ALA A 2 -2.936 3.273 -11.321 1.00 0.00 H new ATOM 0 HA ALA A 2 -3.961 2.361 -13.793 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -1.692 1.411 -14.054 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -1.641 3.086 -13.455 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -1.368 1.731 -12.334 1.00 0.00 H new ATOM 84 N ASP A 3 -4.019 0.232 -11.376 1.00 0.00 N ATOM 85 CA ASP A 3 -4.432 -1.111 -10.986 1.00 0.00 C ATOM 86 C ASP A 3 -5.925 -1.311 -11.221 1.00 0.00 C ATOM 87 O ASP A 3 -6.351 -2.347 -11.734 1.00 0.00 O ATOM 88 CB ASP A 3 -4.096 -1.363 -9.515 1.00 0.00 C ATOM 89 CG ASP A 3 -3.922 -2.837 -9.205 1.00 0.00 C ATOM 90 OD1 ASP A 3 -2.865 -3.398 -9.561 1.00 0.00 O ATOM 91 OD2 ASP A 3 -4.844 -3.430 -8.607 1.00 0.00 O ATOM 0 H ASP A 3 -3.878 0.873 -10.595 1.00 0.00 H new ATOM 0 HA ASP A 3 -3.887 -1.826 -11.603 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -3.180 -0.830 -9.258 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -4.889 -0.954 -8.889 1.00 0.00 H new ATOM 96 N LEU A 4 -6.717 -0.314 -10.842 1.00 0.00 N ATOM 97 CA LEU A 4 -8.165 -0.380 -11.010 1.00 0.00 C ATOM 98 C LEU A 4 -8.546 -0.293 -12.485 1.00 0.00 C ATOM 99 O LEU A 4 -9.429 -1.013 -12.952 1.00 0.00 O ATOM 100 CB LEU A 4 -8.841 0.748 -10.230 1.00 0.00 C ATOM 101 CG LEU A 4 -10.370 0.730 -10.212 1.00 0.00 C ATOM 102 CD1 LEU A 4 -10.891 1.028 -8.815 1.00 0.00 C ATOM 103 CD2 LEU A 4 -10.927 1.729 -11.216 1.00 0.00 C ATOM 0 H LEU A 4 -6.381 0.550 -10.416 1.00 0.00 H new ATOM 0 HA LEU A 4 -8.508 -1.339 -10.620 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -8.485 0.714 -9.200 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -8.514 1.699 -10.649 1.00 0.00 H new ATOM 0 HG LEU A 4 -10.706 -0.267 -10.497 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -11.981 1.011 -8.822 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -10.521 0.274 -8.120 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -10.546 2.013 -8.500 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -12.016 1.703 -11.190 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -10.582 2.731 -10.962 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -10.582 1.470 -12.217 1.00 0.00 H new ATOM 115 N VAL A 5 -7.873 0.591 -13.214 1.00 0.00 N ATOM 116 CA VAL A 5 -8.138 0.769 -14.636 1.00 0.00 C ATOM 117 C VAL A 5 -7.731 -0.467 -15.431 1.00 0.00 C ATOM 118 O VAL A 5 -8.519 -1.005 -16.208 1.00 0.00 O ATOM 119 CB VAL A 5 -7.392 1.995 -15.197 1.00 0.00 C ATOM 120 CG1 VAL A 5 -7.607 2.110 -16.698 1.00 0.00 C ATOM 121 CG2 VAL A 5 -7.842 3.263 -14.487 1.00 0.00 C ATOM 0 H VAL A 5 -7.140 1.195 -12.843 1.00 0.00 H new ATOM 0 HA VAL A 5 -9.212 0.927 -14.740 1.00 0.00 H new ATOM 0 HB VAL A 5 -6.325 1.864 -15.016 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -7.073 2.981 -17.076 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -7.231 1.212 -17.189 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -8.671 2.219 -16.906 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -7.305 4.119 -14.896 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -8.913 3.402 -14.635 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -7.631 3.178 -13.421 1.00 0.00 H new ATOM 131 N SER A 6 -6.495 -0.912 -15.229 1.00 0.00 N ATOM 132 CA SER A 6 -5.981 -2.084 -15.929 1.00 0.00 C ATOM 133 C SER A 6 -6.800 -3.324 -15.585 1.00 0.00 C ATOM 134 O SER A 6 -7.088 -4.151 -16.451 1.00 0.00 O ATOM 135 CB SER A 6 -4.511 -2.314 -15.572 1.00 0.00 C ATOM 136 OG SER A 6 -3.699 -1.254 -16.048 1.00 0.00 O ATOM 0 H SER A 6 -5.831 -0.479 -14.587 1.00 0.00 H new ATOM 0 HA SER A 6 -6.063 -1.902 -17.001 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.405 -2.400 -14.491 1.00 0.00 H new ATOM 0 HB3 SER A 6 -4.172 -3.257 -16.001 1.00 0.00 H new ATOM 0 HG SER A 6 -3.576 -0.591 -15.337 1.00 0.00 H new ATOM 142 N SER A 7 -7.172 -3.447 -14.315 1.00 0.00 N ATOM 143 CA SER A 7 -7.954 -4.588 -13.855 1.00 0.00 C ATOM 144 C SER A 7 -9.378 -4.526 -14.400 1.00 0.00 C ATOM 145 O SER A 7 -9.895 -5.512 -14.927 1.00 0.00 O ATOM 146 CB SER A 7 -7.983 -4.630 -12.325 1.00 0.00 C ATOM 147 OG SER A 7 -8.576 -5.829 -11.859 1.00 0.00 O ATOM 0 H SER A 7 -6.944 -2.770 -13.586 1.00 0.00 H new ATOM 0 HA SER A 7 -7.480 -5.496 -14.228 1.00 0.00 H new ATOM 0 HB2 SER A 7 -6.968 -4.548 -11.937 1.00 0.00 H new ATOM 0 HB3 SER A 7 -8.540 -3.774 -11.945 1.00 0.00 H new ATOM 0 HG SER A 7 -8.581 -5.832 -10.879 1.00 0.00 H new ATOM 153 N CYS A 8 -10.005 -3.363 -14.268 1.00 0.00 N ATOM 154 CA CYS A 8 -11.369 -3.171 -14.746 1.00 0.00 C ATOM 155 C CYS A 8 -11.456 -3.404 -16.251 1.00 0.00 C ATOM 156 O CYS A 8 -12.405 -4.015 -16.743 1.00 0.00 O ATOM 157 CB CYS A 8 -11.857 -1.762 -14.407 1.00 0.00 C ATOM 158 SG CYS A 8 -12.451 -1.575 -12.710 1.00 0.00 S ATOM 0 H CYS A 8 -9.590 -2.538 -13.834 1.00 0.00 H new ATOM 0 HA CYS A 8 -12.008 -3.899 -14.246 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -11.043 -1.057 -14.575 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -12.660 -1.492 -15.093 1.00 0.00 H new ATOM 0 HG CYS A 8 -13.450 -2.382 -12.508 1.00 0.00 H new ATOM 164 N LYS A 9 -10.459 -2.912 -16.979 1.00 0.00 N ATOM 165 CA LYS A 9 -10.421 -3.065 -18.428 1.00 0.00 C ATOM 166 C LYS A 9 -10.283 -4.534 -18.817 1.00 0.00 C ATOM 167 O LYS A 9 -11.090 -5.061 -19.583 1.00 0.00 O ATOM 168 CB LYS A 9 -9.260 -2.260 -19.017 1.00 0.00 C ATOM 169 CG LYS A 9 -8.966 -2.590 -20.470 1.00 0.00 C ATOM 170 CD LYS A 9 -7.643 -3.322 -20.619 1.00 0.00 C ATOM 171 CE LYS A 9 -6.602 -2.455 -21.312 1.00 0.00 C ATOM 172 NZ LYS A 9 -6.712 -2.534 -22.795 1.00 0.00 N ATOM 0 H LYS A 9 -9.666 -2.403 -16.588 1.00 0.00 H new ATOM 0 HA LYS A 9 -11.360 -2.686 -18.832 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -9.487 -1.197 -18.933 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -8.364 -2.443 -18.423 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -9.770 -3.204 -20.874 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -8.942 -1.671 -21.055 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -7.276 -3.617 -19.636 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -7.795 -4.238 -21.191 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -6.722 -1.419 -20.994 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -5.605 -2.770 -21.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -5.986 -1.930 -23.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -6.572 -3.518 -23.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -7.655 -2.210 -23.091 1.00 0.00 H new ATOM 186 N ASP A 10 -9.258 -5.189 -18.283 1.00 0.00 N ATOM 187 CA ASP A 10 -9.017 -6.598 -18.571 1.00 0.00 C ATOM 188 C ASP A 10 -10.278 -7.424 -18.339 1.00 0.00 C ATOM 189 O ASP A 10 -10.697 -8.195 -19.203 1.00 0.00 O ATOM 190 CB ASP A 10 -7.876 -7.130 -17.703 1.00 0.00 C ATOM 191 CG ASP A 10 -7.338 -8.456 -18.204 1.00 0.00 C ATOM 192 OD1 ASP A 10 -7.903 -9.506 -17.830 1.00 0.00 O ATOM 193 OD2 ASP A 10 -6.352 -8.445 -18.970 1.00 0.00 O ATOM 0 H ASP A 10 -8.581 -4.767 -17.648 1.00 0.00 H new ATOM 0 HA ASP A 10 -8.736 -6.686 -19.620 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -7.068 -6.398 -17.681 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -8.227 -7.248 -16.678 1.00 0.00 H new ATOM 198 N LYS A 11 -10.880 -7.259 -17.165 1.00 0.00 N ATOM 199 CA LYS A 11 -12.093 -7.988 -16.818 1.00 0.00 C ATOM 200 C LYS A 11 -13.251 -7.581 -17.723 1.00 0.00 C ATOM 201 O LYS A 11 -13.897 -8.429 -18.341 1.00 0.00 O ATOM 202 CB LYS A 11 -12.463 -7.735 -15.354 1.00 0.00 C ATOM 203 CG LYS A 11 -12.234 -8.936 -14.453 1.00 0.00 C ATOM 204 CD LYS A 11 -11.022 -8.739 -13.559 1.00 0.00 C ATOM 205 CE LYS A 11 -9.739 -9.164 -14.257 1.00 0.00 C ATOM 206 NZ LYS A 11 -8.538 -8.533 -13.644 1.00 0.00 N ATOM 0 H LYS A 11 -10.546 -6.626 -16.438 1.00 0.00 H new ATOM 0 HA LYS A 11 -11.901 -9.051 -16.960 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -11.879 -6.894 -14.980 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -13.512 -7.444 -15.298 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -13.118 -9.104 -13.838 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -12.096 -9.829 -15.063 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -10.949 -7.691 -13.269 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -11.147 -9.316 -12.643 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -9.643 -10.249 -14.211 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -9.793 -8.894 -15.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -7.851 -8.299 -14.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -8.818 -7.664 -13.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -8.105 -9.195 -12.969 1.00 0.00 H new ATOM 220 N LEU A 12 -13.508 -6.280 -17.799 1.00 0.00 N ATOM 221 CA LEU A 12 -14.587 -5.760 -18.631 1.00 0.00 C ATOM 222 C LEU A 12 -14.490 -6.305 -20.053 1.00 0.00 C ATOM 223 O LEU A 12 -15.493 -6.699 -20.647 1.00 0.00 O ATOM 224 CB LEU A 12 -14.548 -4.231 -18.655 1.00 0.00 C ATOM 225 CG LEU A 12 -15.600 -3.547 -19.530 1.00 0.00 C ATOM 226 CD1 LEU A 12 -16.618 -2.817 -18.668 1.00 0.00 C ATOM 227 CD2 LEU A 12 -14.938 -2.585 -20.506 1.00 0.00 C ATOM 0 H LEU A 12 -12.983 -5.566 -17.294 1.00 0.00 H new ATOM 0 HA LEU A 12 -15.534 -6.086 -18.200 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -14.662 -3.868 -17.633 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -13.561 -3.918 -18.996 1.00 0.00 H new ATOM 0 HG LEU A 12 -16.122 -4.313 -20.103 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -17.358 -2.336 -19.308 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -17.115 -3.530 -18.010 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -16.111 -2.061 -18.068 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -15.701 -2.107 -21.120 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -14.390 -1.824 -19.951 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -14.248 -3.134 -21.147 1.00 0.00 H new ATOM 239 N ALA A 13 -13.275 -6.326 -20.591 1.00 0.00 N ATOM 240 CA ALA A 13 -13.046 -6.827 -21.940 1.00 0.00 C ATOM 241 C ALA A 13 -13.317 -8.325 -22.023 1.00 0.00 C ATOM 242 O ALA A 13 -13.852 -8.815 -23.018 1.00 0.00 O ATOM 243 CB ALA A 13 -11.622 -6.521 -22.382 1.00 0.00 C ATOM 0 H ALA A 13 -12.434 -6.002 -20.113 1.00 0.00 H new ATOM 0 HA ALA A 13 -13.740 -6.321 -22.611 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -11.465 -6.901 -23.391 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -11.461 -5.443 -22.371 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -10.919 -7.000 -21.701 1.00 0.00 H new ATOM 249 N TYR A 14 -12.944 -9.048 -20.973 1.00 0.00 N ATOM 250 CA TYR A 14 -13.145 -10.492 -20.929 1.00 0.00 C ATOM 251 C TYR A 14 -14.607 -10.831 -20.656 1.00 0.00 C ATOM 252 O TYR A 14 -15.051 -11.954 -20.896 1.00 0.00 O ATOM 253 CB TYR A 14 -12.256 -11.119 -19.854 1.00 0.00 C ATOM 254 CG TYR A 14 -12.353 -12.626 -19.790 1.00 0.00 C ATOM 255 CD1 TYR A 14 -12.324 -13.394 -20.947 1.00 0.00 C ATOM 256 CD2 TYR A 14 -12.474 -13.283 -18.571 1.00 0.00 C ATOM 257 CE1 TYR A 14 -12.414 -14.771 -20.894 1.00 0.00 C ATOM 258 CE2 TYR A 14 -12.563 -14.660 -18.508 1.00 0.00 C ATOM 259 CZ TYR A 14 -12.533 -15.400 -19.672 1.00 0.00 C ATOM 260 OH TYR A 14 -12.622 -16.772 -19.614 1.00 0.00 O ATOM 0 H TYR A 14 -12.501 -8.658 -20.141 1.00 0.00 H new ATOM 0 HA TYR A 14 -12.872 -10.901 -21.902 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -11.220 -10.838 -20.042 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -12.527 -10.704 -18.883 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -12.229 -12.905 -21.905 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -12.499 -12.707 -17.658 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -12.391 -15.352 -21.804 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -12.656 -15.155 -17.552 1.00 0.00 H new ATOM 0 HH TYR A 14 -12.700 -17.056 -18.679 1.00 0.00 H new ATOM 270 N PHE A 15 -15.351 -9.851 -20.154 1.00 0.00 N ATOM 271 CA PHE A 15 -16.764 -10.044 -19.848 1.00 0.00 C ATOM 272 C PHE A 15 -17.640 -9.569 -21.004 1.00 0.00 C ATOM 273 O PHE A 15 -17.403 -8.508 -21.581 1.00 0.00 O ATOM 274 CB PHE A 15 -17.137 -9.293 -18.568 1.00 0.00 C ATOM 275 CG PHE A 15 -16.402 -9.779 -17.352 1.00 0.00 C ATOM 276 CD1 PHE A 15 -16.139 -11.128 -17.178 1.00 0.00 C ATOM 277 CD2 PHE A 15 -15.974 -8.886 -16.383 1.00 0.00 C ATOM 278 CE1 PHE A 15 -15.462 -11.578 -16.060 1.00 0.00 C ATOM 279 CE2 PHE A 15 -15.296 -9.330 -15.263 1.00 0.00 C ATOM 280 CZ PHE A 15 -15.041 -10.678 -15.101 1.00 0.00 C ATOM 0 H PHE A 15 -14.999 -8.915 -19.950 1.00 0.00 H new ATOM 0 HA PHE A 15 -16.936 -11.110 -19.699 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -16.932 -8.231 -18.706 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -18.209 -9.391 -18.398 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -16.467 -11.836 -17.925 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -16.172 -7.831 -16.504 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -15.263 -12.632 -15.937 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -14.966 -8.624 -14.515 1.00 0.00 H new ATOM 0 HZ PHE A 15 -14.513 -11.027 -14.226 1.00 0.00 H new ATOM 290 N ARG A 16 -18.653 -10.364 -21.335 1.00 0.00 N ATOM 291 CA ARG A 16 -19.564 -10.027 -22.422 1.00 0.00 C ATOM 292 C ARG A 16 -20.121 -8.617 -22.248 1.00 0.00 C ATOM 293 O ARG A 16 -19.909 -7.979 -21.216 1.00 0.00 O ATOM 294 CB ARG A 16 -20.712 -11.036 -22.486 1.00 0.00 C ATOM 295 CG ARG A 16 -21.083 -11.448 -23.901 1.00 0.00 C ATOM 296 CD ARG A 16 -20.099 -12.462 -24.462 1.00 0.00 C ATOM 297 NE ARG A 16 -20.646 -13.816 -24.458 1.00 0.00 N ATOM 298 CZ ARG A 16 -21.467 -14.281 -25.394 1.00 0.00 C ATOM 299 NH1 ARG A 16 -21.833 -13.504 -26.403 1.00 0.00 N ATOM 300 NH2 ARG A 16 -21.923 -15.525 -25.320 1.00 0.00 N ATOM 0 H ARG A 16 -18.863 -11.245 -20.866 1.00 0.00 H new ATOM 0 HA ARG A 16 -19.004 -10.065 -23.356 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -20.435 -11.925 -21.919 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -21.588 -10.608 -22.000 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -22.087 -11.872 -23.906 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -21.106 -10.568 -24.543 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -19.832 -12.182 -25.481 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -19.181 -12.440 -23.874 1.00 0.00 H new ATOM 0 HE ARG A 16 -20.383 -14.439 -23.695 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -21.485 -12.547 -26.462 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -22.463 -13.863 -27.120 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -21.643 -16.125 -24.544 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -22.553 -15.881 -26.039 1.00 0.00 H new ATOM 314 N ILE A 17 -20.832 -8.138 -23.262 1.00 0.00 N ATOM 315 CA ILE A 17 -21.420 -6.805 -23.221 1.00 0.00 C ATOM 316 C ILE A 17 -22.222 -6.597 -21.940 1.00 0.00 C ATOM 317 O ILE A 17 -22.404 -5.468 -21.484 1.00 0.00 O ATOM 318 CB ILE A 17 -22.336 -6.555 -24.433 1.00 0.00 C ATOM 319 CG1 ILE A 17 -21.615 -6.928 -25.730 1.00 0.00 C ATOM 320 CG2 ILE A 17 -22.783 -5.101 -24.468 1.00 0.00 C ATOM 321 CD1 ILE A 17 -21.982 -6.043 -26.901 1.00 0.00 C ATOM 0 H ILE A 17 -21.015 -8.653 -24.123 1.00 0.00 H new ATOM 0 HA ILE A 17 -20.593 -6.095 -23.249 1.00 0.00 H new ATOM 0 HB ILE A 17 -23.221 -7.184 -24.337 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -20.539 -6.873 -25.567 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -21.847 -7.963 -25.980 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -23.430 -4.940 -25.330 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -23.330 -4.867 -23.555 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -21.909 -4.454 -24.544 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -21.434 -6.365 -27.786 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -23.053 -6.116 -27.091 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -21.724 -5.009 -26.671 1.00 0.00 H new ATOM 333 N LYS A 18 -22.699 -7.695 -21.363 1.00 0.00 N ATOM 334 CA LYS A 18 -23.480 -7.636 -20.133 1.00 0.00 C ATOM 335 C LYS A 18 -22.760 -6.811 -19.071 1.00 0.00 C ATOM 336 O LYS A 18 -23.356 -5.939 -18.441 1.00 0.00 O ATOM 337 CB LYS A 18 -23.745 -9.048 -19.605 1.00 0.00 C ATOM 338 CG LYS A 18 -25.213 -9.435 -19.615 1.00 0.00 C ATOM 339 CD LYS A 18 -25.981 -8.737 -18.505 1.00 0.00 C ATOM 340 CE LYS A 18 -26.725 -7.516 -19.024 1.00 0.00 C ATOM 341 NZ LYS A 18 -28.195 -7.630 -18.812 1.00 0.00 N ATOM 0 H LYS A 18 -22.558 -8.637 -21.728 1.00 0.00 H new ATOM 0 HA LYS A 18 -24.432 -7.155 -20.358 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -23.185 -9.763 -20.208 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -23.365 -9.123 -18.586 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -25.651 -9.178 -20.579 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -25.306 -10.515 -19.500 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -26.690 -9.434 -18.058 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -25.291 -8.436 -17.717 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -26.354 -6.623 -18.520 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -26.520 -7.391 -20.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -28.666 -6.778 -19.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -28.554 -8.467 -19.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -28.393 -7.724 -17.795 1.00 0.00 H new ATOM 355 N GLU A 19 -21.475 -7.092 -18.880 1.00 0.00 N ATOM 356 CA GLU A 19 -20.675 -6.375 -17.895 1.00 0.00 C ATOM 357 C GLU A 19 -20.741 -4.869 -18.132 1.00 0.00 C ATOM 358 O GLU A 19 -21.157 -4.109 -17.256 1.00 0.00 O ATOM 359 CB GLU A 19 -19.220 -6.846 -17.945 1.00 0.00 C ATOM 360 CG GLU A 19 -18.272 -5.986 -17.125 1.00 0.00 C ATOM 361 CD GLU A 19 -18.598 -6.009 -15.645 1.00 0.00 C ATOM 362 OE1 GLU A 19 -19.094 -7.047 -15.161 1.00 0.00 O ATOM 363 OE2 GLU A 19 -18.355 -4.987 -14.969 1.00 0.00 O ATOM 0 H GLU A 19 -20.966 -7.811 -19.394 1.00 0.00 H new ATOM 0 HA GLU A 19 -21.085 -6.589 -16.908 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -19.167 -7.874 -17.586 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -18.885 -6.853 -18.982 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -17.250 -6.335 -17.274 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -18.314 -4.959 -17.487 1.00 0.00 H new ATOM 370 N LEU A 20 -20.329 -4.444 -19.321 1.00 0.00 N ATOM 371 CA LEU A 20 -20.341 -3.029 -19.675 1.00 0.00 C ATOM 372 C LEU A 20 -21.763 -2.479 -19.669 1.00 0.00 C ATOM 373 O LEU A 20 -21.983 -1.297 -19.400 1.00 0.00 O ATOM 374 CB LEU A 20 -19.707 -2.822 -21.051 1.00 0.00 C ATOM 375 CG LEU A 20 -19.527 -4.079 -21.903 1.00 0.00 C ATOM 376 CD1 LEU A 20 -19.563 -3.730 -23.383 1.00 0.00 C ATOM 377 CD2 LEU A 20 -18.223 -4.780 -21.550 1.00 0.00 C ATOM 0 H LEU A 20 -19.982 -5.059 -20.057 1.00 0.00 H new ATOM 0 HA LEU A 20 -19.759 -2.488 -18.929 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -20.320 -2.114 -21.609 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -18.730 -2.358 -20.913 1.00 0.00 H new ATOM 0 HG LEU A 20 -20.351 -4.760 -21.691 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -19.433 -4.637 -23.974 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -20.522 -3.273 -23.626 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -18.759 -3.030 -23.611 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -18.111 -5.672 -22.166 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -17.386 -4.106 -21.733 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -18.236 -5.065 -20.498 1.00 0.00 H new ATOM 389 N LYS A 21 -22.728 -3.343 -19.966 1.00 0.00 N ATOM 390 CA LYS A 21 -24.131 -2.946 -19.992 1.00 0.00 C ATOM 391 C LYS A 21 -24.575 -2.428 -18.627 1.00 0.00 C ATOM 392 O LYS A 21 -25.205 -1.375 -18.528 1.00 0.00 O ATOM 393 CB LYS A 21 -25.009 -4.126 -20.412 1.00 0.00 C ATOM 394 CG LYS A 21 -26.421 -3.726 -20.802 1.00 0.00 C ATOM 395 CD LYS A 21 -26.578 -3.636 -22.311 1.00 0.00 C ATOM 396 CE LYS A 21 -26.455 -2.200 -22.799 1.00 0.00 C ATOM 397 NZ LYS A 21 -26.449 -2.119 -24.286 1.00 0.00 N ATOM 0 H LYS A 21 -22.564 -4.324 -20.192 1.00 0.00 H new ATOM 0 HA LYS A 21 -24.242 -2.142 -20.720 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -24.540 -4.636 -21.253 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -25.057 -4.842 -19.592 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -27.129 -4.453 -20.404 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -26.665 -2.764 -20.352 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -25.820 -4.252 -22.794 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -27.548 -4.038 -22.602 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -27.284 -1.611 -22.406 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -25.538 -1.761 -22.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -26.364 -1.125 -24.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -25.644 -2.660 -24.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -27.335 -2.515 -24.659 1.00 0.00 H new ATOM 411 N ASP A 22 -24.242 -3.174 -17.580 1.00 0.00 N ATOM 412 CA ASP A 22 -24.605 -2.788 -16.221 1.00 0.00 C ATOM 413 C ASP A 22 -23.821 -1.557 -15.778 1.00 0.00 C ATOM 414 O ASP A 22 -24.365 -0.662 -15.131 1.00 0.00 O ATOM 415 CB ASP A 22 -24.349 -3.946 -15.254 1.00 0.00 C ATOM 416 CG ASP A 22 -25.632 -4.511 -14.676 1.00 0.00 C ATOM 417 OD1 ASP A 22 -26.188 -3.890 -13.746 1.00 0.00 O ATOM 418 OD2 ASP A 22 -26.080 -5.574 -15.155 1.00 0.00 O ATOM 0 H ASP A 22 -23.722 -4.049 -17.646 1.00 0.00 H new ATOM 0 HA ASP A 22 -25.667 -2.543 -16.210 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -23.809 -4.737 -15.774 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -23.708 -3.603 -14.442 1.00 0.00 H new ATOM 423 N ILE A 23 -22.540 -1.519 -16.129 1.00 0.00 N ATOM 424 CA ILE A 23 -21.682 -0.398 -15.767 1.00 0.00 C ATOM 425 C ILE A 23 -22.180 0.900 -16.394 1.00 0.00 C ATOM 426 O ILE A 23 -22.433 1.882 -15.695 1.00 0.00 O ATOM 427 CB ILE A 23 -20.225 -0.640 -16.205 1.00 0.00 C ATOM 428 CG1 ILE A 23 -19.655 -1.871 -15.497 1.00 0.00 C ATOM 429 CG2 ILE A 23 -19.374 0.587 -15.914 1.00 0.00 C ATOM 430 CD1 ILE A 23 -18.287 -2.278 -16.000 1.00 0.00 C ATOM 0 H ILE A 23 -22.074 -2.252 -16.664 1.00 0.00 H new ATOM 0 HA ILE A 23 -21.717 -0.311 -14.681 1.00 0.00 H new ATOM 0 HB ILE A 23 -20.209 -0.822 -17.280 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -19.595 -1.670 -14.427 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -20.344 -2.706 -15.626 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -18.347 0.401 -16.229 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -19.771 1.443 -16.460 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -19.393 0.798 -14.845 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -17.945 -3.157 -15.454 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -18.345 -2.511 -17.063 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -17.584 -1.459 -15.846 1.00 0.00 H new ATOM 442 N LEU A 24 -22.320 0.897 -17.715 1.00 0.00 N ATOM 443 CA LEU A 24 -22.790 2.074 -18.437 1.00 0.00 C ATOM 444 C LEU A 24 -24.188 2.473 -17.975 1.00 0.00 C ATOM 445 O LEU A 24 -24.486 3.656 -17.818 1.00 0.00 O ATOM 446 CB LEU A 24 -22.795 1.805 -19.942 1.00 0.00 C ATOM 447 CG LEU A 24 -24.162 1.839 -20.626 1.00 0.00 C ATOM 448 CD1 LEU A 24 -24.031 2.331 -22.059 1.00 0.00 C ATOM 449 CD2 LEU A 24 -24.810 0.462 -20.590 1.00 0.00 C ATOM 0 H LEU A 24 -22.115 0.093 -18.308 1.00 0.00 H new ATOM 0 HA LEU A 24 -22.108 2.897 -18.224 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -22.151 2.541 -20.424 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -22.348 0.827 -20.117 1.00 0.00 H new ATOM 0 HG LEU A 24 -24.801 2.535 -20.083 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -25.014 2.348 -22.529 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -23.610 3.336 -22.061 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -23.375 1.661 -22.615 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -25.782 0.504 -21.081 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -24.172 -0.254 -21.109 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -24.940 0.148 -19.554 1.00 0.00 H new ATOM 461 N ASN A 25 -25.041 1.477 -17.759 1.00 0.00 N ATOM 462 CA ASN A 25 -26.407 1.725 -17.313 1.00 0.00 C ATOM 463 C ASN A 25 -26.421 2.551 -16.031 1.00 0.00 C ATOM 464 O ASN A 25 -27.227 3.468 -15.880 1.00 0.00 O ATOM 465 CB ASN A 25 -27.140 0.400 -17.088 1.00 0.00 C ATOM 466 CG ASN A 25 -28.072 0.451 -15.893 1.00 0.00 C ATOM 467 OD1 ASN A 25 -27.542 0.143 -14.715 1.00 0.00 O flip ATOM 468 ND2 ASN A 25 -29.255 0.765 -16.027 1.00 0.00 N flip ATOM 0 H ASN A 25 -24.811 0.491 -17.885 1.00 0.00 H new ATOM 0 HA ASN A 25 -26.920 2.289 -18.092 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -27.712 0.148 -17.981 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -26.410 -0.396 -16.942 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -29.620 0.994 -16.951 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -29.870 0.796 -15.214 1.00 0.00 H new ATOM 475 N GLN A 26 -25.522 2.218 -15.110 1.00 0.00 N ATOM 476 CA GLN A 26 -25.430 2.930 -13.840 1.00 0.00 C ATOM 477 C GLN A 26 -24.858 4.329 -14.040 1.00 0.00 C ATOM 478 O GLN A 26 -25.318 5.293 -13.426 1.00 0.00 O ATOM 479 CB GLN A 26 -24.561 2.147 -12.855 1.00 0.00 C ATOM 480 CG GLN A 26 -25.265 0.946 -12.244 1.00 0.00 C ATOM 481 CD GLN A 26 -24.315 0.027 -11.501 1.00 0.00 C ATOM 482 OE1 GLN A 26 -24.452 -0.184 -10.296 1.00 0.00 O ATOM 483 NE2 GLN A 26 -23.343 -0.524 -12.218 1.00 0.00 N ATOM 0 H GLN A 26 -24.848 1.461 -15.219 1.00 0.00 H new ATOM 0 HA GLN A 26 -26.436 3.024 -13.431 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -23.661 1.808 -13.368 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -24.240 2.815 -12.056 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -26.039 1.293 -11.559 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -25.766 0.384 -13.032 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -23.267 -0.321 -13.215 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -22.672 -1.150 -11.772 1.00 0.00 H new ATOM 492 N LEU A 27 -23.854 4.434 -14.903 1.00 0.00 N ATOM 493 CA LEU A 27 -23.218 5.717 -15.184 1.00 0.00 C ATOM 494 C LEU A 27 -24.167 6.641 -15.940 1.00 0.00 C ATOM 495 O LEU A 27 -23.909 7.836 -16.076 1.00 0.00 O ATOM 496 CB LEU A 27 -21.938 5.507 -15.995 1.00 0.00 C ATOM 497 CG LEU A 27 -21.967 6.014 -17.438 1.00 0.00 C ATOM 498 CD1 LEU A 27 -21.573 7.481 -17.496 1.00 0.00 C ATOM 499 CD2 LEU A 27 -21.048 5.177 -18.316 1.00 0.00 C ATOM 0 H LEU A 27 -23.463 3.647 -15.420 1.00 0.00 H new ATOM 0 HA LEU A 27 -22.965 6.186 -14.233 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -21.117 6.000 -15.474 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -21.712 4.441 -16.010 1.00 0.00 H new ATOM 0 HG LEU A 27 -22.985 5.917 -17.817 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -21.599 7.824 -18.530 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -22.271 8.069 -16.901 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -20.565 7.603 -17.099 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -21.081 5.552 -19.339 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -20.027 5.241 -17.939 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -21.376 4.138 -18.300 1.00 0.00 H new ATOM 619 N LYS A 35 -19.680 -1.680 -28.618 1.00 0.00 N ATOM 620 CA LYS A 35 -18.686 -2.425 -27.854 1.00 0.00 C ATOM 621 C LYS A 35 -17.472 -1.554 -27.547 1.00 0.00 C ATOM 622 O LYS A 35 -17.024 -1.480 -26.403 1.00 0.00 O ATOM 623 CB LYS A 35 -18.250 -3.672 -28.626 1.00 0.00 C ATOM 624 CG LYS A 35 -18.914 -4.950 -28.142 1.00 0.00 C ATOM 625 CD LYS A 35 -18.001 -5.738 -27.219 1.00 0.00 C ATOM 626 CE LYS A 35 -17.505 -4.883 -26.063 1.00 0.00 C ATOM 627 NZ LYS A 35 -17.094 -5.713 -24.896 1.00 0.00 N ATOM 0 HA LYS A 35 -19.141 -2.729 -26.911 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -18.477 -3.532 -29.683 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -17.169 -3.781 -28.544 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -19.838 -4.705 -27.619 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -19.187 -5.566 -28.999 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -18.536 -6.604 -26.829 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -17.150 -6.117 -27.784 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -16.661 -4.279 -26.394 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -18.291 -4.192 -25.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -17.374 -5.236 -24.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -17.559 -6.642 -24.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -16.062 -5.841 -24.907 1.00 0.00 H new ATOM 641 N GLN A 36 -16.945 -0.897 -28.575 1.00 0.00 N ATOM 642 CA GLN A 36 -15.783 -0.031 -28.413 1.00 0.00 C ATOM 643 C GLN A 36 -16.137 1.208 -27.598 1.00 0.00 C ATOM 644 O GLN A 36 -15.408 1.590 -26.682 1.00 0.00 O ATOM 645 CB GLN A 36 -15.234 0.382 -29.780 1.00 0.00 C ATOM 646 CG GLN A 36 -14.145 -0.541 -30.303 1.00 0.00 C ATOM 647 CD GLN A 36 -12.852 -0.418 -29.522 1.00 0.00 C ATOM 648 OE1 GLN A 36 -12.754 -1.150 -28.419 1.00 0.00 O flip ATOM 649 NE2 GLN A 36 -11.950 0.328 -29.906 1.00 0.00 N flip ATOM 0 H GLN A 36 -17.304 -0.948 -29.528 1.00 0.00 H new ATOM 0 HA GLN A 36 -15.017 -0.590 -27.876 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -16.053 0.407 -30.499 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -14.838 1.395 -29.712 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -14.495 -1.572 -30.258 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -13.955 -0.314 -31.352 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -12.068 0.873 -30.760 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -11.085 0.401 -29.370 1.00 0.00 H new ATOM 658 N ASP A 37 -17.259 1.833 -27.938 1.00 0.00 N ATOM 659 CA ASP A 37 -17.711 3.029 -27.237 1.00 0.00 C ATOM 660 C ASP A 37 -17.807 2.776 -25.736 1.00 0.00 C ATOM 661 O ASP A 37 -17.386 3.605 -24.927 1.00 0.00 O ATOM 662 CB ASP A 37 -19.068 3.482 -27.778 1.00 0.00 C ATOM 663 CG ASP A 37 -18.992 4.822 -28.483 1.00 0.00 C ATOM 664 OD1 ASP A 37 -18.632 4.844 -29.678 1.00 0.00 O ATOM 665 OD2 ASP A 37 -19.292 5.849 -27.839 1.00 0.00 O ATOM 0 H ASP A 37 -17.872 1.531 -28.695 1.00 0.00 H new ATOM 0 HA ASP A 37 -16.979 3.818 -27.408 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -19.449 2.731 -28.471 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -19.780 3.547 -26.956 1.00 0.00 H new ATOM 670 N LEU A 38 -18.363 1.627 -25.369 1.00 0.00 N ATOM 671 CA LEU A 38 -18.516 1.264 -23.965 1.00 0.00 C ATOM 672 C LEU A 38 -17.156 1.077 -23.300 1.00 0.00 C ATOM 673 O LEU A 38 -16.860 1.704 -22.282 1.00 0.00 O ATOM 674 CB LEU A 38 -19.341 -0.017 -23.835 1.00 0.00 C ATOM 675 CG LEU A 38 -20.783 0.059 -24.338 1.00 0.00 C ATOM 676 CD1 LEU A 38 -21.447 -1.307 -24.264 1.00 0.00 C ATOM 677 CD2 LEU A 38 -21.574 1.083 -23.537 1.00 0.00 C ATOM 0 H LEU A 38 -18.716 0.930 -26.025 1.00 0.00 H new ATOM 0 HA LEU A 38 -19.038 2.077 -23.460 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -18.829 -0.811 -24.378 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -19.359 -0.309 -22.785 1.00 0.00 H new ATOM 0 HG LEU A 38 -20.768 0.376 -25.381 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -22.472 -1.233 -24.626 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -20.894 -2.014 -24.882 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -21.451 -1.654 -23.231 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -22.598 1.124 -23.909 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -21.581 0.796 -22.486 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -21.111 2.064 -23.642 1.00 0.00 H new ATOM 689 N ILE A 39 -16.333 0.212 -23.882 1.00 0.00 N ATOM 690 CA ILE A 39 -15.004 -0.055 -23.348 1.00 0.00 C ATOM 691 C ILE A 39 -14.238 1.241 -23.106 1.00 0.00 C ATOM 692 O ILE A 39 -13.736 1.481 -22.008 1.00 0.00 O ATOM 693 CB ILE A 39 -14.186 -0.953 -24.296 1.00 0.00 C ATOM 694 CG1 ILE A 39 -14.355 -2.424 -23.913 1.00 0.00 C ATOM 695 CG2 ILE A 39 -12.717 -0.557 -24.264 1.00 0.00 C ATOM 696 CD1 ILE A 39 -15.790 -2.900 -23.964 1.00 0.00 C ATOM 0 H ILE A 39 -16.563 -0.316 -24.724 1.00 0.00 H new ATOM 0 HA ILE A 39 -15.143 -0.574 -22.400 1.00 0.00 H new ATOM 0 HB ILE A 39 -14.557 -0.817 -25.312 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -13.753 -3.037 -24.584 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -13.966 -2.576 -22.906 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -12.152 -1.200 -24.939 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -12.613 0.481 -24.580 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -12.332 -0.668 -23.250 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -15.835 -3.952 -23.681 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -16.393 -2.312 -23.272 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -16.177 -2.780 -24.976 1.00 0.00 H new ATOM 708 N ASP A 40 -14.153 2.073 -24.138 1.00 0.00 N ATOM 709 CA ASP A 40 -13.451 3.347 -24.038 1.00 0.00 C ATOM 710 C ASP A 40 -14.095 4.240 -22.982 1.00 0.00 C ATOM 711 O ASP A 40 -13.409 4.996 -22.293 1.00 0.00 O ATOM 712 CB ASP A 40 -13.446 4.059 -25.391 1.00 0.00 C ATOM 713 CG ASP A 40 -12.092 4.652 -25.728 1.00 0.00 C ATOM 714 OD1 ASP A 40 -11.847 5.819 -25.357 1.00 0.00 O ATOM 715 OD2 ASP A 40 -11.278 3.950 -26.365 1.00 0.00 O ATOM 0 H ASP A 40 -14.562 1.888 -25.054 1.00 0.00 H new ATOM 0 HA ASP A 40 -12.422 3.144 -23.739 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -13.735 3.354 -26.170 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -14.195 4.851 -25.384 1.00 0.00 H new ATOM 720 N ARG A 41 -15.415 4.148 -22.861 1.00 0.00 N ATOM 721 CA ARG A 41 -16.151 4.950 -21.891 1.00 0.00 C ATOM 722 C ARG A 41 -15.779 4.554 -20.465 1.00 0.00 C ATOM 723 O ARG A 41 -15.491 5.409 -19.627 1.00 0.00 O ATOM 724 CB ARG A 41 -17.657 4.786 -22.100 1.00 0.00 C ATOM 725 CG ARG A 41 -18.242 5.762 -23.108 1.00 0.00 C ATOM 726 CD ARG A 41 -18.188 7.192 -22.595 1.00 0.00 C ATOM 727 NE ARG A 41 -19.051 8.083 -23.366 1.00 0.00 N ATOM 728 CZ ARG A 41 -18.711 8.598 -24.543 1.00 0.00 C ATOM 729 NH1 ARG A 41 -17.534 8.311 -25.080 1.00 0.00 N ATOM 730 NH2 ARG A 41 -19.551 9.401 -25.184 1.00 0.00 N ATOM 0 H ARG A 41 -15.997 3.526 -23.422 1.00 0.00 H new ATOM 0 HA ARG A 41 -15.882 5.995 -22.042 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -17.860 3.768 -22.432 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -18.164 4.916 -21.144 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -17.693 5.690 -24.047 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -19.276 5.490 -23.322 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -18.489 7.213 -21.548 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -17.161 7.554 -22.639 1.00 0.00 H new ATOM 0 HE ARG A 41 -19.964 8.323 -22.980 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -16.887 7.694 -24.590 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -17.275 8.707 -25.983 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -20.458 9.623 -24.773 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -19.290 9.796 -26.087 1.00 0.00 H new ATOM 744 N VAL A 42 -15.788 3.252 -20.196 1.00 0.00 N ATOM 745 CA VAL A 42 -15.451 2.742 -18.872 1.00 0.00 C ATOM 746 C VAL A 42 -14.093 3.260 -18.413 1.00 0.00 C ATOM 747 O VAL A 42 -13.963 3.806 -17.316 1.00 0.00 O ATOM 748 CB VAL A 42 -15.435 1.202 -18.851 1.00 0.00 C ATOM 749 CG1 VAL A 42 -14.786 0.692 -17.573 1.00 0.00 C ATOM 750 CG2 VAL A 42 -16.846 0.653 -18.998 1.00 0.00 C ATOM 0 H VAL A 42 -16.025 2.531 -20.878 1.00 0.00 H new ATOM 0 HA VAL A 42 -16.222 3.099 -18.190 1.00 0.00 H new ATOM 0 HB VAL A 42 -14.843 0.850 -19.696 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -14.784 -0.398 -17.576 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -13.761 1.057 -17.515 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -15.348 1.051 -16.711 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -16.816 -0.436 -18.981 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -17.464 1.012 -18.175 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -17.271 0.990 -19.944 1.00 0.00 H new ATOM 760 N LEU A 43 -13.083 3.086 -19.258 1.00 0.00 N ATOM 761 CA LEU A 43 -11.733 3.537 -18.940 1.00 0.00 C ATOM 762 C LEU A 43 -11.704 5.043 -18.698 1.00 0.00 C ATOM 763 O LEU A 43 -11.040 5.521 -17.780 1.00 0.00 O ATOM 764 CB LEU A 43 -10.772 3.172 -20.073 1.00 0.00 C ATOM 765 CG LEU A 43 -10.887 1.749 -20.618 1.00 0.00 C ATOM 766 CD1 LEU A 43 -9.646 1.381 -21.417 1.00 0.00 C ATOM 767 CD2 LEU A 43 -11.106 0.759 -19.483 1.00 0.00 C ATOM 0 H LEU A 43 -13.173 2.636 -20.169 1.00 0.00 H new ATOM 0 HA LEU A 43 -11.415 3.035 -18.026 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -10.931 3.869 -20.896 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -9.752 3.323 -19.720 1.00 0.00 H new ATOM 0 HG LEU A 43 -11.749 1.704 -21.284 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -9.746 0.364 -21.797 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -9.533 2.071 -22.253 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -8.768 1.443 -20.774 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -11.186 -0.249 -19.890 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -10.265 0.806 -18.792 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -12.025 1.010 -18.953 1.00 0.00 H new ATOM 779 N ALA A 44 -12.431 5.784 -19.528 1.00 0.00 N ATOM 780 CA ALA A 44 -12.492 7.235 -19.402 1.00 0.00 C ATOM 781 C ALA A 44 -13.154 7.645 -18.091 1.00 0.00 C ATOM 782 O ALA A 44 -12.897 8.729 -17.566 1.00 0.00 O ATOM 783 CB ALA A 44 -13.239 7.837 -20.583 1.00 0.00 C ATOM 0 H ALA A 44 -12.986 5.403 -20.295 1.00 0.00 H new ATOM 0 HA ALA A 44 -11.471 7.617 -19.399 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -13.277 8.921 -20.475 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -12.723 7.582 -21.508 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -14.254 7.440 -20.612 1.00 0.00 H new ATOM 789 N LEU A 45 -14.008 6.772 -17.567 1.00 0.00 N ATOM 790 CA LEU A 45 -14.709 7.044 -16.316 1.00 0.00 C ATOM 791 C LEU A 45 -13.776 6.872 -15.122 1.00 0.00 C ATOM 792 O LEU A 45 -13.658 7.763 -14.279 1.00 0.00 O ATOM 793 CB LEU A 45 -15.916 6.115 -16.173 1.00 0.00 C ATOM 794 CG LEU A 45 -17.121 6.440 -17.057 1.00 0.00 C ATOM 795 CD1 LEU A 45 -18.248 5.450 -16.808 1.00 0.00 C ATOM 796 CD2 LEU A 45 -17.595 7.865 -16.810 1.00 0.00 C ATOM 0 H LEU A 45 -14.232 5.870 -17.988 1.00 0.00 H new ATOM 0 HA LEU A 45 -15.055 8.078 -16.338 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -15.594 5.097 -16.392 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -16.240 6.130 -15.132 1.00 0.00 H new ATOM 0 HG LEU A 45 -16.816 6.356 -18.100 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -19.097 5.697 -17.446 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -17.904 4.441 -17.037 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -18.553 5.501 -15.763 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -18.453 8.079 -17.448 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -17.883 7.977 -15.765 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -16.789 8.562 -17.041 1.00 0.00 H new ATOM 808 N LEU A 46 -13.114 5.722 -15.056 1.00 0.00 N ATOM 809 CA LEU A 46 -12.189 5.433 -13.965 1.00 0.00 C ATOM 810 C LEU A 46 -10.886 6.208 -14.136 1.00 0.00 C ATOM 811 O LEU A 46 -10.049 6.246 -13.233 1.00 0.00 O ATOM 812 CB LEU A 46 -11.899 3.933 -13.900 1.00 0.00 C ATOM 813 CG LEU A 46 -13.062 3.008 -14.259 1.00 0.00 C ATOM 814 CD1 LEU A 46 -12.695 1.558 -13.984 1.00 0.00 C ATOM 815 CD2 LEU A 46 -14.313 3.399 -13.486 1.00 0.00 C ATOM 0 H LEU A 46 -13.200 4.975 -15.745 1.00 0.00 H new ATOM 0 HA LEU A 46 -12.657 5.747 -13.032 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -11.067 3.715 -14.570 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -11.567 3.691 -12.890 1.00 0.00 H new ATOM 0 HG LEU A 46 -13.269 3.113 -15.324 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -13.535 0.914 -14.245 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -11.827 1.283 -14.583 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -12.460 1.436 -12.927 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -15.130 2.730 -13.754 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -14.118 3.323 -12.416 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -14.588 4.424 -13.733 1.00 0.00 H new ATOM 827 N THR A 47 -10.721 6.828 -15.301 1.00 0.00 N ATOM 828 CA THR A 47 -9.522 7.603 -15.590 1.00 0.00 C ATOM 829 C THR A 47 -9.818 9.099 -15.582 1.00 0.00 C ATOM 830 O THR A 47 -9.390 9.821 -14.681 1.00 0.00 O ATOM 831 CB THR A 47 -8.920 7.219 -16.955 1.00 0.00 C ATOM 832 OG1 THR A 47 -8.591 5.825 -16.970 1.00 0.00 O ATOM 833 CG2 THR A 47 -7.676 8.042 -17.250 1.00 0.00 C ATOM 0 H THR A 47 -11.403 6.808 -16.059 1.00 0.00 H new ATOM 0 HA THR A 47 -8.801 7.373 -14.805 1.00 0.00 H new ATOM 0 HB THR A 47 -9.663 7.425 -17.726 1.00 0.00 H new ATOM 0 HG1 THR A 47 -9.323 5.320 -17.382 1.00 0.00 H new ATOM 0 HG21 THR A 47 -7.269 7.752 -18.219 1.00 0.00 H new ATOM 0 HG22 THR A 47 -7.936 9.100 -17.267 1.00 0.00 H new ATOM 0 HG23 THR A 47 -6.930 7.864 -16.476 1.00 0.00 H new ATOM 841 N ASP A 48 -10.552 9.558 -16.589 1.00 0.00 N ATOM 842 CA ASP A 48 -10.907 10.968 -16.696 1.00 0.00 C ATOM 843 C ASP A 48 -11.905 11.361 -15.611 1.00 0.00 C ATOM 844 O ASP A 48 -12.179 12.543 -15.406 1.00 0.00 O ATOM 845 CB ASP A 48 -11.493 11.265 -18.077 1.00 0.00 C ATOM 846 CG ASP A 48 -10.570 12.116 -18.927 1.00 0.00 C ATOM 847 OD1 ASP A 48 -10.116 13.171 -18.436 1.00 0.00 O ATOM 848 OD2 ASP A 48 -10.300 11.727 -20.082 1.00 0.00 O ATOM 0 H ASP A 48 -10.913 8.974 -17.343 1.00 0.00 H new ATOM 0 HA ASP A 48 -10.000 11.557 -16.561 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -11.694 10.326 -18.593 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -12.449 11.776 -17.961 1.00 0.00 H new ATOM 853 N GLU A 49 -12.446 10.361 -14.922 1.00 0.00 N ATOM 854 CA GLU A 49 -13.416 10.604 -13.860 1.00 0.00 C ATOM 855 C GLU A 49 -13.059 9.811 -12.606 1.00 0.00 C ATOM 856 O GLU A 49 -13.921 9.521 -11.777 1.00 0.00 O ATOM 857 CB GLU A 49 -14.824 10.231 -14.329 1.00 0.00 C ATOM 858 CG GLU A 49 -15.735 11.429 -14.531 1.00 0.00 C ATOM 859 CD GLU A 49 -15.800 11.875 -15.979 1.00 0.00 C ATOM 860 OE1 GLU A 49 -14.745 12.251 -16.531 1.00 0.00 O ATOM 861 OE2 GLU A 49 -16.906 11.849 -16.559 1.00 0.00 O ATOM 0 H GLU A 49 -12.230 9.377 -15.080 1.00 0.00 H new ATOM 0 HA GLU A 49 -13.392 11.666 -13.617 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -14.751 9.678 -15.266 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -15.276 9.561 -13.598 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -16.739 11.180 -14.186 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -15.383 12.257 -13.915 1.00 0.00 H new ATOM 1076 N LEU A 63 -21.724 5.271 -10.359 1.00 0.00 N ATOM 1077 CA LEU A 63 -21.066 5.968 -11.459 1.00 0.00 C ATOM 1078 C LEU A 63 -19.609 6.267 -11.119 1.00 0.00 C ATOM 1079 O LEU A 63 -19.018 7.209 -11.648 1.00 0.00 O ATOM 1080 CB LEU A 63 -21.805 7.269 -11.779 1.00 0.00 C ATOM 1081 CG LEU A 63 -22.431 7.996 -10.589 1.00 0.00 C ATOM 1082 CD1 LEU A 63 -21.417 8.153 -9.466 1.00 0.00 C ATOM 1083 CD2 LEU A 63 -22.971 9.353 -11.017 1.00 0.00 C ATOM 0 HA LEU A 63 -21.090 5.319 -12.335 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -21.107 7.949 -12.268 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -22.593 7.048 -12.499 1.00 0.00 H new ATOM 0 HG LEU A 63 -23.263 7.397 -10.218 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -21.880 8.673 -8.627 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -21.079 7.169 -9.141 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -20.564 8.730 -9.824 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -23.413 9.856 -10.157 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -22.157 9.960 -11.414 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -23.730 9.216 -11.787 1.00 0.00 H new ATOM 1095 N THR A 64 -19.035 5.458 -10.235 1.00 0.00 N ATOM 1096 CA THR A 64 -17.647 5.635 -9.825 1.00 0.00 C ATOM 1097 C THR A 64 -16.911 4.301 -9.786 1.00 0.00 C ATOM 1098 O THR A 64 -17.488 3.253 -10.078 1.00 0.00 O ATOM 1099 CB THR A 64 -17.551 6.303 -8.441 1.00 0.00 C ATOM 1100 OG1 THR A 64 -18.863 6.574 -7.935 1.00 0.00 O ATOM 1101 CG2 THR A 64 -16.755 7.597 -8.518 1.00 0.00 C ATOM 0 H THR A 64 -19.510 4.673 -9.789 1.00 0.00 H new ATOM 0 HA THR A 64 -17.179 6.283 -10.566 1.00 0.00 H new ATOM 0 HB THR A 64 -17.036 5.618 -7.767 1.00 0.00 H new ATOM 0 HG1 THR A 64 -18.793 6.997 -7.054 1.00 0.00 H new ATOM 0 HG21 THR A 64 -16.701 8.050 -7.528 1.00 0.00 H new ATOM 0 HG22 THR A 64 -15.747 7.384 -8.875 1.00 0.00 H new ATOM 0 HG23 THR A 64 -17.245 8.285 -9.206 1.00 0.00 H new ATOM 1109 N LYS A 65 -15.634 4.346 -9.421 1.00 0.00 N ATOM 1110 CA LYS A 65 -14.819 3.140 -9.340 1.00 0.00 C ATOM 1111 C LYS A 65 -15.509 2.071 -8.500 1.00 0.00 C ATOM 1112 O LYS A 65 -15.362 0.876 -8.756 1.00 0.00 O ATOM 1113 CB LYS A 65 -13.448 3.466 -8.744 1.00 0.00 C ATOM 1114 CG LYS A 65 -13.514 4.369 -7.524 1.00 0.00 C ATOM 1115 CD LYS A 65 -12.196 4.381 -6.768 1.00 0.00 C ATOM 1116 CE LYS A 65 -12.145 3.281 -5.719 1.00 0.00 C ATOM 1117 NZ LYS A 65 -12.540 3.780 -4.372 1.00 0.00 N ATOM 0 H LYS A 65 -15.141 5.205 -9.177 1.00 0.00 H new ATOM 0 HA LYS A 65 -14.687 2.753 -10.350 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -12.950 2.536 -8.471 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -12.834 3.944 -9.507 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -13.766 5.383 -7.834 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -14.311 4.030 -6.862 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -11.372 4.254 -7.470 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -12.060 5.350 -6.288 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -12.808 2.467 -6.014 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -11.137 2.870 -5.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -12.492 3.000 -3.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -11.892 4.539 -4.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -13.512 4.149 -4.410 1.00 0.00 H new ATOM 1131 N GLU A 66 -16.264 2.509 -7.497 1.00 0.00 N ATOM 1132 CA GLU A 66 -16.977 1.588 -6.620 1.00 0.00 C ATOM 1133 C GLU A 66 -17.979 0.750 -7.410 1.00 0.00 C ATOM 1134 O GLU A 66 -18.020 -0.473 -7.281 1.00 0.00 O ATOM 1135 CB GLU A 66 -17.700 2.359 -5.514 1.00 0.00 C ATOM 1136 CG GLU A 66 -16.761 3.033 -4.527 1.00 0.00 C ATOM 1137 CD GLU A 66 -17.490 3.616 -3.333 1.00 0.00 C ATOM 1138 OE1 GLU A 66 -17.704 2.878 -2.349 1.00 0.00 O ATOM 1139 OE2 GLU A 66 -17.847 4.812 -3.383 1.00 0.00 O ATOM 0 H GLU A 66 -16.397 3.495 -7.272 1.00 0.00 H new ATOM 0 HA GLU A 66 -16.246 0.918 -6.168 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -18.339 3.116 -5.969 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -18.352 1.674 -4.972 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -16.024 2.309 -4.180 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -16.213 3.826 -5.036 1.00 0.00 H new ATOM 1146 N ALA A 67 -18.786 1.419 -8.227 1.00 0.00 N ATOM 1147 CA ALA A 67 -19.787 0.738 -9.038 1.00 0.00 C ATOM 1148 C ALA A 67 -19.130 -0.162 -10.080 1.00 0.00 C ATOM 1149 O ALA A 67 -19.431 -1.352 -10.166 1.00 0.00 O ATOM 1150 CB ALA A 67 -20.698 1.752 -9.714 1.00 0.00 C ATOM 0 H ALA A 67 -18.766 2.432 -8.345 1.00 0.00 H new ATOM 0 HA ALA A 67 -20.386 0.110 -8.379 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -21.441 1.229 -10.316 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -21.202 2.351 -8.955 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -20.104 2.404 -10.355 1.00 0.00 H new ATOM 1156 N VAL A 68 -18.230 0.415 -10.870 1.00 0.00 N ATOM 1157 CA VAL A 68 -17.529 -0.335 -11.906 1.00 0.00 C ATOM 1158 C VAL A 68 -16.820 -1.550 -11.319 1.00 0.00 C ATOM 1159 O VAL A 68 -16.900 -2.651 -11.864 1.00 0.00 O ATOM 1160 CB VAL A 68 -16.497 0.546 -12.635 1.00 0.00 C ATOM 1161 CG1 VAL A 68 -15.737 -0.269 -13.671 1.00 0.00 C ATOM 1162 CG2 VAL A 68 -17.180 1.741 -13.282 1.00 0.00 C ATOM 0 H VAL A 68 -17.969 1.399 -10.812 1.00 0.00 H new ATOM 0 HA VAL A 68 -18.281 -0.667 -12.621 1.00 0.00 H new ATOM 0 HB VAL A 68 -15.780 0.918 -11.903 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -15.012 0.370 -14.176 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -15.216 -1.089 -13.178 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -16.438 -0.672 -14.402 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -16.436 2.353 -13.793 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -17.919 1.391 -14.003 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -17.675 2.337 -12.515 1.00 0.00 H new ATOM 1172 N ALA A 69 -16.126 -1.343 -10.205 1.00 0.00 N ATOM 1173 CA ALA A 69 -15.404 -2.423 -9.543 1.00 0.00 C ATOM 1174 C ALA A 69 -16.368 -3.413 -8.898 1.00 0.00 C ATOM 1175 O ALA A 69 -16.058 -4.596 -8.759 1.00 0.00 O ATOM 1176 CB ALA A 69 -14.449 -1.858 -8.501 1.00 0.00 C ATOM 0 H ALA A 69 -16.048 -0.438 -9.742 1.00 0.00 H new ATOM 0 HA ALA A 69 -14.827 -2.957 -10.298 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -13.916 -2.675 -8.014 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -13.732 -1.195 -8.986 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -15.014 -1.298 -7.755 1.00 0.00 H new ATOM 1182 N LYS A 70 -17.538 -2.922 -8.505 1.00 0.00 N ATOM 1183 CA LYS A 70 -18.549 -3.763 -7.875 1.00 0.00 C ATOM 1184 C LYS A 70 -19.036 -4.841 -8.838 1.00 0.00 C ATOM 1185 O LYS A 70 -19.066 -6.024 -8.495 1.00 0.00 O ATOM 1186 CB LYS A 70 -19.731 -2.911 -7.406 1.00 0.00 C ATOM 1187 CG LYS A 70 -20.904 -3.729 -6.894 1.00 0.00 C ATOM 1188 CD LYS A 70 -22.027 -2.837 -6.391 1.00 0.00 C ATOM 1189 CE LYS A 70 -22.952 -2.414 -7.522 1.00 0.00 C ATOM 1190 NZ LYS A 70 -24.043 -1.521 -7.042 1.00 0.00 N ATOM 0 H LYS A 70 -17.810 -1.945 -8.612 1.00 0.00 H new ATOM 0 HA LYS A 70 -18.095 -4.250 -7.012 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -19.394 -2.240 -6.616 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -20.068 -2.286 -8.233 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -21.277 -4.371 -7.692 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -20.569 -4.383 -6.089 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -22.600 -3.366 -5.630 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -21.605 -1.952 -5.915 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -22.374 -1.901 -8.291 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -23.386 -3.299 -7.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -24.651 -1.255 -7.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -24.610 -2.019 -6.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -23.630 -0.664 -6.621 1.00 0.00 H new ATOM 1204 N ILE A 71 -19.415 -4.426 -10.042 1.00 0.00 N ATOM 1205 CA ILE A 71 -19.898 -5.358 -11.054 1.00 0.00 C ATOM 1206 C ILE A 71 -18.766 -6.234 -11.579 1.00 0.00 C ATOM 1207 O ILE A 71 -18.874 -7.460 -11.602 1.00 0.00 O ATOM 1208 CB ILE A 71 -20.549 -4.616 -12.236 1.00 0.00 C ATOM 1209 CG1 ILE A 71 -21.446 -3.487 -11.726 1.00 0.00 C ATOM 1210 CG2 ILE A 71 -21.347 -5.587 -13.094 1.00 0.00 C ATOM 1211 CD1 ILE A 71 -22.519 -3.953 -10.766 1.00 0.00 C ATOM 0 H ILE A 71 -19.397 -3.451 -10.341 1.00 0.00 H new ATOM 0 HA ILE A 71 -20.647 -5.987 -10.573 1.00 0.00 H new ATOM 0 HB ILE A 71 -19.762 -4.179 -12.851 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -20.828 -2.738 -11.231 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -21.919 -2.997 -12.577 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -21.802 -5.049 -13.926 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -20.684 -6.360 -13.481 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -22.128 -6.049 -12.490 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -23.116 -3.099 -10.446 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -23.162 -4.680 -11.263 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -22.053 -4.416 -9.896 1.00 0.00 H new ATOM 1223 N VAL A 72 -17.678 -5.596 -12.000 1.00 0.00 N ATOM 1224 CA VAL A 72 -16.523 -6.317 -12.523 1.00 0.00 C ATOM 1225 C VAL A 72 -16.059 -7.393 -11.548 1.00 0.00 C ATOM 1226 O VAL A 72 -15.677 -8.490 -11.954 1.00 0.00 O ATOM 1227 CB VAL A 72 -15.350 -5.362 -12.814 1.00 0.00 C ATOM 1228 CG1 VAL A 72 -14.089 -6.149 -13.139 1.00 0.00 C ATOM 1229 CG2 VAL A 72 -15.704 -4.414 -13.949 1.00 0.00 C ATOM 0 H VAL A 72 -17.572 -4.582 -11.989 1.00 0.00 H new ATOM 0 HA VAL A 72 -16.838 -6.787 -13.454 1.00 0.00 H new ATOM 0 HB VAL A 72 -15.158 -4.767 -11.921 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -13.271 -5.458 -13.342 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -13.827 -6.783 -12.292 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -14.264 -6.771 -14.017 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -14.864 -3.747 -14.141 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -15.923 -4.989 -14.848 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -16.579 -3.826 -13.672 1.00 0.00 H new ATOM 1239 N ASP A 73 -16.096 -7.071 -10.259 1.00 0.00 N ATOM 1240 CA ASP A 73 -15.681 -8.011 -9.224 1.00 0.00 C ATOM 1241 C ASP A 73 -16.679 -9.157 -9.099 1.00 0.00 C ATOM 1242 O ASP A 73 -16.292 -10.322 -9.003 1.00 0.00 O ATOM 1243 CB ASP A 73 -15.538 -7.293 -7.881 1.00 0.00 C ATOM 1244 CG ASP A 73 -14.253 -6.496 -7.784 1.00 0.00 C ATOM 1245 OD1 ASP A 73 -13.413 -6.610 -8.702 1.00 0.00 O ATOM 1246 OD2 ASP A 73 -14.086 -5.758 -6.791 1.00 0.00 O ATOM 0 H ASP A 73 -16.409 -6.167 -9.906 1.00 0.00 H new ATOM 0 HA ASP A 73 -14.714 -8.425 -9.510 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -16.388 -6.626 -7.737 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -15.569 -8.026 -7.075 1.00 0.00 H new ATOM 1251 N ASP A 74 -17.963 -8.819 -9.101 1.00 0.00 N ATOM 1252 CA ASP A 74 -19.018 -9.821 -8.987 1.00 0.00 C ATOM 1253 C ASP A 74 -18.925 -10.838 -10.120 1.00 0.00 C ATOM 1254 O ASP A 74 -19.125 -12.035 -9.913 1.00 0.00 O ATOM 1255 CB ASP A 74 -20.392 -9.149 -8.999 1.00 0.00 C ATOM 1256 CG ASP A 74 -21.041 -9.135 -7.629 1.00 0.00 C ATOM 1257 OD1 ASP A 74 -20.941 -10.155 -6.915 1.00 0.00 O ATOM 1258 OD2 ASP A 74 -21.650 -8.105 -7.271 1.00 0.00 O ATOM 0 H ASP A 74 -18.300 -7.859 -9.180 1.00 0.00 H new ATOM 0 HA ASP A 74 -18.887 -10.345 -8.040 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -20.290 -8.126 -9.360 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -21.043 -9.671 -9.701 1.00 0.00 H new ATOM 1263 N THR A 75 -18.622 -10.353 -11.321 1.00 0.00 N ATOM 1264 CA THR A 75 -18.506 -11.219 -12.487 1.00 0.00 C ATOM 1265 C THR A 75 -17.247 -12.075 -12.413 1.00 0.00 C ATOM 1266 O THR A 75 -17.284 -13.275 -12.684 1.00 0.00 O ATOM 1267 CB THR A 75 -18.481 -10.402 -13.793 1.00 0.00 C ATOM 1268 OG1 THR A 75 -18.763 -9.025 -13.515 1.00 0.00 O ATOM 1269 CG2 THR A 75 -19.497 -10.941 -14.788 1.00 0.00 C ATOM 0 H THR A 75 -18.453 -9.365 -11.511 1.00 0.00 H new ATOM 0 HA THR A 75 -19.383 -11.866 -12.488 1.00 0.00 H new ATOM 0 HB THR A 75 -17.486 -10.488 -14.230 1.00 0.00 H new ATOM 0 HG1 THR A 75 -18.924 -8.548 -14.356 1.00 0.00 H new ATOM 0 HG21 THR A 75 -19.461 -10.348 -15.702 1.00 0.00 H new ATOM 0 HG22 THR A 75 -19.263 -11.980 -15.020 1.00 0.00 H new ATOM 0 HG23 THR A 75 -20.496 -10.881 -14.356 1.00 0.00 H new ATOM 1277 N TYR A 76 -16.134 -11.450 -12.045 1.00 0.00 N ATOM 1278 CA TYR A 76 -14.862 -12.156 -11.937 1.00 0.00 C ATOM 1279 C TYR A 76 -14.889 -13.155 -10.784 1.00 0.00 C ATOM 1280 O TYR A 76 -14.210 -14.181 -10.822 1.00 0.00 O ATOM 1281 CB TYR A 76 -13.718 -11.160 -11.736 1.00 0.00 C ATOM 1282 CG TYR A 76 -12.367 -11.699 -12.147 1.00 0.00 C ATOM 1283 CD1 TYR A 76 -12.186 -12.303 -13.385 1.00 0.00 C ATOM 1284 CD2 TYR A 76 -11.271 -11.603 -11.299 1.00 0.00 C ATOM 1285 CE1 TYR A 76 -10.953 -12.798 -13.765 1.00 0.00 C ATOM 1286 CE2 TYR A 76 -10.034 -12.093 -11.671 1.00 0.00 C ATOM 1287 CZ TYR A 76 -9.880 -12.690 -12.905 1.00 0.00 C ATOM 1288 OH TYR A 76 -8.650 -13.180 -13.280 1.00 0.00 O ATOM 0 H TYR A 76 -16.086 -10.457 -11.817 1.00 0.00 H new ATOM 0 HA TYR A 76 -14.700 -12.704 -12.865 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -13.929 -10.257 -12.309 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -13.680 -10.870 -10.686 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -13.023 -12.387 -14.062 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -11.388 -11.137 -10.332 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -10.830 -13.267 -14.730 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -9.192 -12.009 -10.999 1.00 0.00 H new ATOM 0 HH TYR A 76 -8.002 -13.023 -12.561 1.00 0.00 H new ATOM 1298 N ARG A 77 -15.680 -12.848 -9.762 1.00 0.00 N ATOM 1299 CA ARG A 77 -15.797 -13.717 -8.597 1.00 0.00 C ATOM 1300 C ARG A 77 -16.656 -14.938 -8.915 1.00 0.00 C ATOM 1301 O ARG A 77 -16.239 -16.077 -8.701 1.00 0.00 O ATOM 1302 CB ARG A 77 -16.399 -12.950 -7.419 1.00 0.00 C ATOM 1303 CG ARG A 77 -15.359 -12.385 -6.465 1.00 0.00 C ATOM 1304 CD ARG A 77 -15.677 -10.948 -6.083 1.00 0.00 C ATOM 1305 NE ARG A 77 -14.508 -10.079 -6.202 1.00 0.00 N ATOM 1306 CZ ARG A 77 -13.594 -9.943 -5.249 1.00 0.00 C ATOM 1307 NH1 ARG A 77 -13.711 -10.615 -4.112 1.00 0.00 N ATOM 1308 NH2 ARG A 77 -12.558 -9.133 -5.432 1.00 0.00 N ATOM 0 H ARG A 77 -16.250 -12.003 -9.717 1.00 0.00 H new ATOM 0 HA ARG A 77 -14.797 -14.057 -8.327 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -17.010 -12.133 -7.803 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -17.064 -13.613 -6.866 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -15.315 -13.000 -5.566 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -14.374 -12.430 -6.930 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -16.476 -10.571 -6.722 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -16.048 -10.919 -5.058 1.00 0.00 H new ATOM 0 HE ARG A 77 -14.388 -9.548 -7.065 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -14.505 -11.239 -3.968 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -13.007 -10.508 -3.382 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -12.464 -8.615 -6.305 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -11.856 -9.029 -4.699 1.00 0.00 H new ATOM 1322 N LYS A 78 -17.857 -14.693 -9.426 1.00 0.00 N ATOM 1323 CA LYS A 78 -18.776 -15.771 -9.775 1.00 0.00 C ATOM 1324 C LYS A 78 -18.183 -16.661 -10.862 1.00 0.00 C ATOM 1325 O LYS A 78 -18.326 -17.882 -10.824 1.00 0.00 O ATOM 1326 CB LYS A 78 -20.114 -15.197 -10.244 1.00 0.00 C ATOM 1327 CG LYS A 78 -21.315 -16.020 -9.812 1.00 0.00 C ATOM 1328 CD LYS A 78 -22.612 -15.247 -9.982 1.00 0.00 C ATOM 1329 CE LYS A 78 -22.765 -14.174 -8.915 1.00 0.00 C ATOM 1330 NZ LYS A 78 -23.490 -12.980 -9.429 1.00 0.00 N ATOM 0 H LYS A 78 -18.218 -13.757 -9.608 1.00 0.00 H new ATOM 0 HA LYS A 78 -18.941 -16.377 -8.884 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -20.221 -14.184 -9.857 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -20.107 -15.124 -11.332 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -21.358 -16.938 -10.398 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -21.200 -16.314 -8.769 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -22.635 -14.786 -10.969 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -23.456 -15.935 -9.932 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -23.303 -14.585 -8.061 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -21.780 -13.875 -8.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -23.574 -12.272 -8.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -22.964 -12.572 -10.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -24.440 -13.261 -9.747 1.00 0.00 H new ATOM 1344 N MET A 79 -17.515 -16.040 -11.830 1.00 0.00 N ATOM 1345 CA MET A 79 -16.898 -16.777 -12.926 1.00 0.00 C ATOM 1346 C MET A 79 -15.598 -17.435 -12.475 1.00 0.00 C ATOM 1347 O MET A 79 -15.404 -18.636 -12.660 1.00 0.00 O ATOM 1348 CB MET A 79 -16.628 -15.844 -14.108 1.00 0.00 C ATOM 1349 CG MET A 79 -16.651 -16.548 -15.455 1.00 0.00 C ATOM 1350 SD MET A 79 -15.374 -15.943 -16.576 1.00 0.00 S ATOM 1351 CE MET A 79 -16.225 -14.571 -17.350 1.00 0.00 C ATOM 0 H MET A 79 -17.388 -15.029 -11.877 1.00 0.00 H new ATOM 0 HA MET A 79 -17.590 -17.559 -13.240 1.00 0.00 H new ATOM 0 HB2 MET A 79 -17.373 -15.049 -14.110 1.00 0.00 H new ATOM 0 HB3 MET A 79 -15.656 -15.370 -13.972 1.00 0.00 H new ATOM 0 HG2 MET A 79 -16.518 -17.619 -15.303 1.00 0.00 H new ATOM 0 HG3 MET A 79 -17.629 -16.410 -15.916 1.00 0.00 H new ATOM 0 HE1 MET A 79 -15.495 -13.890 -17.787 1.00 0.00 H new ATOM 0 HE2 MET A 79 -16.884 -14.947 -18.133 1.00 0.00 H new ATOM 0 HE3 MET A 79 -16.815 -14.040 -16.603 1.00 0.00 H new