USER MOD reduce.3.24.130724 H: found=0, std=0, add=507, rem=0, adj=14 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 Single : A 1 SER N :NH3+ -171:sc= 0 (180deg=-0.0883) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 CYS SG : rot -60:sc= -1.09 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 168:sc= 0.889 (180deg=0.778) 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 : amide:sc= -3.16 X(o=-3.2,f=-3.3!) USER MOD Single : A 26 GLN : amide:sc= -0.0383 K(o=-0.038,f=-0.55) USER MOD Single : A 35 LYS NZ :NH3+ -156:sc= -0.104 (180deg=-0.602) USER MOD Single : A 36 GLN :FLIP amide:sc= -0.406 F(o=-1.2,f=-0.41) USER MOD Single : A 47 THR OG1 : rot 97:sc= 1.24 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 67:sc= 1.26 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 -125:sc= -1.66 (180deg=-10.8!) USER MOD ----------------------------------------------------------------- ATOM 63 N SER A 1 -4.767 4.178 -9.208 1.00 0.00 N ATOM 64 CA SER A 1 -5.609 4.228 -10.398 1.00 0.00 C ATOM 65 C SER A 1 -5.181 3.170 -11.411 1.00 0.00 C ATOM 66 O SER A 1 -6.017 2.502 -12.018 1.00 0.00 O ATOM 67 CB SER A 1 -5.545 5.617 -11.037 1.00 0.00 C ATOM 68 OG SER A 1 -6.788 5.968 -11.619 1.00 0.00 O ATOM 0 H1 SER A 1 -5.167 4.797 -8.474 1.00 0.00 H new ATOM 0 H2 SER A 1 -4.725 3.201 -8.853 1.00 0.00 H new ATOM 0 H3 SER A 1 -3.808 4.500 -9.448 1.00 0.00 H new ATOM 0 HA SER A 1 -6.636 4.022 -10.095 1.00 0.00 H new ATOM 0 HB2 SER A 1 -5.271 6.355 -10.283 1.00 0.00 H new ATOM 0 HB3 SER A 1 -4.765 5.635 -11.798 1.00 0.00 H new ATOM 0 HG SER A 1 -6.722 6.860 -12.019 1.00 0.00 H new ATOM 74 N ALA A 2 -3.872 3.024 -11.587 1.00 0.00 N ATOM 75 CA ALA A 2 -3.331 2.047 -12.524 1.00 0.00 C ATOM 76 C ALA A 2 -3.870 0.651 -12.233 1.00 0.00 C ATOM 77 O ALA A 2 -4.015 -0.170 -13.138 1.00 0.00 O ATOM 78 CB ALA A 2 -1.811 2.050 -12.471 1.00 0.00 C ATOM 0 H ALA A 2 -3.166 3.570 -11.093 1.00 0.00 H new ATOM 0 HA ALA A 2 -3.649 2.329 -13.528 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -1.421 1.316 -13.176 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -1.440 3.040 -12.736 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -1.482 1.796 -11.463 1.00 0.00 H new ATOM 84 N ASP A 3 -4.163 0.388 -10.964 1.00 0.00 N ATOM 85 CA ASP A 3 -4.686 -0.910 -10.553 1.00 0.00 C ATOM 86 C ASP A 3 -6.163 -1.039 -10.912 1.00 0.00 C ATOM 87 O ASP A 3 -6.613 -2.090 -11.370 1.00 0.00 O ATOM 88 CB ASP A 3 -4.495 -1.107 -9.048 1.00 0.00 C ATOM 89 CG ASP A 3 -3.946 -2.479 -8.710 1.00 0.00 C ATOM 90 OD1 ASP A 3 -4.688 -3.471 -8.866 1.00 0.00 O ATOM 91 OD2 ASP A 3 -2.773 -2.560 -8.289 1.00 0.00 O ATOM 0 H ASP A 3 -4.047 1.056 -10.202 1.00 0.00 H new ATOM 0 HA ASP A 3 -4.132 -1.683 -11.086 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -3.817 -0.343 -8.668 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -5.450 -0.966 -8.542 1.00 0.00 H new ATOM 96 N LEU A 4 -6.914 0.037 -10.701 1.00 0.00 N ATOM 97 CA LEU A 4 -8.342 0.044 -11.001 1.00 0.00 C ATOM 98 C LEU A 4 -8.582 0.003 -12.507 1.00 0.00 C ATOM 99 O LEU A 4 -9.457 -0.718 -12.987 1.00 0.00 O ATOM 100 CB LEU A 4 -9.003 1.286 -10.402 1.00 0.00 C ATOM 101 CG LEU A 4 -10.524 1.367 -10.534 1.00 0.00 C ATOM 102 CD1 LEU A 4 -11.186 1.233 -9.172 1.00 0.00 C ATOM 103 CD2 LEU A 4 -10.933 2.673 -11.201 1.00 0.00 C ATOM 0 H LEU A 4 -6.558 0.915 -10.324 1.00 0.00 H new ATOM 0 HA LEU A 4 -8.786 -0.847 -10.556 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -8.747 1.334 -9.344 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -8.570 2.167 -10.875 1.00 0.00 H new ATOM 0 HG LEU A 4 -10.859 0.541 -11.161 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -12.268 1.293 -9.286 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -10.920 0.272 -8.731 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -10.845 2.038 -8.521 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -12.019 2.713 -11.287 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -10.585 3.513 -10.600 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -10.488 2.729 -12.195 1.00 0.00 H new ATOM 115 N VAL A 5 -7.797 0.779 -13.247 1.00 0.00 N ATOM 116 CA VAL A 5 -7.922 0.829 -14.699 1.00 0.00 C ATOM 117 C VAL A 5 -7.501 -0.492 -15.333 1.00 0.00 C ATOM 118 O VAL A 5 -8.234 -1.069 -16.136 1.00 0.00 O ATOM 119 CB VAL A 5 -7.072 1.966 -15.297 1.00 0.00 C ATOM 120 CG1 VAL A 5 -7.138 1.940 -16.816 1.00 0.00 C ATOM 121 CG2 VAL A 5 -7.529 3.313 -14.758 1.00 0.00 C ATOM 0 H VAL A 5 -7.068 1.382 -12.865 1.00 0.00 H new ATOM 0 HA VAL A 5 -8.973 1.016 -14.919 1.00 0.00 H new ATOM 0 HB VAL A 5 -6.034 1.815 -15.000 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -6.532 2.750 -17.220 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -6.758 0.986 -17.180 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -8.172 2.065 -17.137 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -6.918 4.105 -15.191 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -8.574 3.475 -15.023 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -7.424 3.326 -13.673 1.00 0.00 H new ATOM 131 N SER A 6 -6.315 -0.967 -14.965 1.00 0.00 N ATOM 132 CA SER A 6 -5.794 -2.220 -15.500 1.00 0.00 C ATOM 133 C SER A 6 -6.717 -3.384 -15.153 1.00 0.00 C ATOM 134 O SER A 6 -6.956 -4.268 -15.976 1.00 0.00 O ATOM 135 CB SER A 6 -4.390 -2.487 -14.954 1.00 0.00 C ATOM 136 OG SER A 6 -3.751 -3.525 -15.677 1.00 0.00 O ATOM 0 H SER A 6 -5.697 -0.503 -14.299 1.00 0.00 H new ATOM 0 HA SER A 6 -5.743 -2.130 -16.585 1.00 0.00 H new ATOM 0 HB2 SER A 6 -3.794 -1.577 -15.015 1.00 0.00 H new ATOM 0 HB3 SER A 6 -4.452 -2.758 -13.900 1.00 0.00 H new ATOM 0 HG SER A 6 -2.855 -3.676 -15.310 1.00 0.00 H new ATOM 142 N SER A 7 -7.232 -3.377 -13.928 1.00 0.00 N ATOM 143 CA SER A 7 -8.126 -4.434 -13.469 1.00 0.00 C ATOM 144 C SER A 7 -9.485 -4.333 -14.156 1.00 0.00 C ATOM 145 O SER A 7 -9.965 -5.298 -14.752 1.00 0.00 O ATOM 146 CB SER A 7 -8.302 -4.359 -11.951 1.00 0.00 C ATOM 147 OG SER A 7 -9.290 -5.273 -11.507 1.00 0.00 O ATOM 0 H SER A 7 -7.046 -2.652 -13.236 1.00 0.00 H new ATOM 0 HA SER A 7 -7.678 -5.393 -13.729 1.00 0.00 H new ATOM 0 HB2 SER A 7 -7.353 -4.577 -11.460 1.00 0.00 H new ATOM 0 HB3 SER A 7 -8.584 -3.346 -11.664 1.00 0.00 H new ATOM 0 HG SER A 7 -9.383 -5.207 -10.534 1.00 0.00 H new ATOM 153 N CYS A 8 -10.099 -3.158 -14.067 1.00 0.00 N ATOM 154 CA CYS A 8 -11.403 -2.929 -14.679 1.00 0.00 C ATOM 155 C CYS A 8 -11.352 -3.186 -16.181 1.00 0.00 C ATOM 156 O CYS A 8 -12.282 -3.750 -16.758 1.00 0.00 O ATOM 157 CB CYS A 8 -11.872 -1.498 -14.409 1.00 0.00 C ATOM 158 SG CYS A 8 -12.470 -1.222 -12.726 1.00 0.00 S ATOM 0 H CYS A 8 -9.715 -2.350 -13.577 1.00 0.00 H new ATOM 0 HA CYS A 8 -12.113 -3.626 -14.234 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -11.047 -0.813 -14.607 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -12.668 -1.249 -15.111 1.00 0.00 H new ATOM 0 HG CYS A 8 -13.481 -2.004 -12.491 1.00 0.00 H new ATOM 164 N LYS A 9 -10.260 -2.766 -16.811 1.00 0.00 N ATOM 165 CA LYS A 9 -10.086 -2.950 -18.247 1.00 0.00 C ATOM 166 C LYS A 9 -9.989 -4.431 -18.598 1.00 0.00 C ATOM 167 O LYS A 9 -10.723 -4.925 -19.454 1.00 0.00 O ATOM 168 CB LYS A 9 -8.831 -2.218 -18.727 1.00 0.00 C ATOM 169 CG LYS A 9 -8.391 -2.617 -20.125 1.00 0.00 C ATOM 170 CD LYS A 9 -7.113 -3.439 -20.093 1.00 0.00 C ATOM 171 CE LYS A 9 -7.238 -4.696 -20.941 1.00 0.00 C ATOM 172 NZ LYS A 9 -7.040 -4.411 -22.389 1.00 0.00 N ATOM 0 H LYS A 9 -9.482 -2.296 -16.349 1.00 0.00 H new ATOM 0 HA LYS A 9 -10.958 -2.532 -18.750 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -9.017 -1.144 -18.706 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -8.017 -2.414 -18.029 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -9.182 -3.191 -20.607 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -8.234 -1.722 -20.728 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -6.281 -2.835 -20.456 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -6.882 -3.714 -19.064 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -6.503 -5.431 -20.612 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -8.222 -5.140 -20.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -7.133 -5.293 -22.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -7.757 -3.729 -22.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -6.091 -4.011 -22.538 1.00 0.00 H new ATOM 186 N ASP A 10 -9.080 -5.134 -17.932 1.00 0.00 N ATOM 187 CA ASP A 10 -8.890 -6.560 -18.172 1.00 0.00 C ATOM 188 C ASP A 10 -10.222 -7.302 -18.127 1.00 0.00 C ATOM 189 O ASP A 10 -10.563 -8.044 -19.047 1.00 0.00 O ATOM 190 CB ASP A 10 -7.928 -7.149 -17.138 1.00 0.00 C ATOM 191 CG ASP A 10 -7.537 -8.578 -17.460 1.00 0.00 C ATOM 192 OD1 ASP A 10 -7.512 -8.931 -18.658 1.00 0.00 O ATOM 193 OD2 ASP A 10 -7.257 -9.344 -16.514 1.00 0.00 O ATOM 0 H ASP A 10 -8.463 -4.740 -17.222 1.00 0.00 H new ATOM 0 HA ASP A 10 -8.461 -6.682 -19.167 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -7.031 -6.532 -17.088 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -8.393 -7.116 -16.153 1.00 0.00 H new ATOM 198 N LYS A 11 -10.971 -7.096 -17.049 1.00 0.00 N ATOM 199 CA LYS A 11 -12.266 -7.744 -16.882 1.00 0.00 C ATOM 200 C LYS A 11 -13.279 -7.203 -17.885 1.00 0.00 C ATOM 201 O LYS A 11 -14.048 -7.961 -18.478 1.00 0.00 O ATOM 202 CB LYS A 11 -12.784 -7.537 -15.456 1.00 0.00 C ATOM 203 CG LYS A 11 -11.753 -7.846 -14.384 1.00 0.00 C ATOM 204 CD LYS A 11 -12.249 -8.916 -13.426 1.00 0.00 C ATOM 205 CE LYS A 11 -11.794 -8.641 -12.001 1.00 0.00 C ATOM 206 NZ LYS A 11 -10.382 -9.058 -11.779 1.00 0.00 N ATOM 0 H LYS A 11 -10.703 -6.485 -16.278 1.00 0.00 H new ATOM 0 HA LYS A 11 -12.136 -8.811 -17.063 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -13.114 -6.504 -15.344 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -13.658 -8.169 -15.301 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -10.827 -8.178 -14.853 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -11.521 -6.938 -13.828 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -13.338 -8.960 -13.460 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -11.881 -9.891 -13.745 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -11.897 -7.577 -11.786 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -12.443 -9.171 -11.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -10.045 -8.675 -10.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -10.326 -10.096 -11.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -9.787 -8.694 -12.551 1.00 0.00 H new ATOM 220 N LEU A 12 -13.274 -5.888 -18.072 1.00 0.00 N ATOM 221 CA LEU A 12 -14.192 -5.244 -19.006 1.00 0.00 C ATOM 222 C LEU A 12 -14.051 -5.837 -20.404 1.00 0.00 C ATOM 223 O LEU A 12 -15.045 -6.097 -21.082 1.00 0.00 O ATOM 224 CB LEU A 12 -13.933 -3.737 -19.050 1.00 0.00 C ATOM 225 CG LEU A 12 -14.632 -2.968 -20.172 1.00 0.00 C ATOM 226 CD1 LEU A 12 -15.688 -2.035 -19.601 1.00 0.00 C ATOM 227 CD2 LEU A 12 -13.618 -2.189 -20.997 1.00 0.00 C ATOM 0 H LEU A 12 -12.645 -5.246 -17.590 1.00 0.00 H new ATOM 0 HA LEU A 12 -15.209 -5.421 -18.657 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -14.240 -3.308 -18.096 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -12.859 -3.576 -19.141 1.00 0.00 H new ATOM 0 HG LEU A 12 -15.127 -3.686 -20.826 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -16.175 -1.496 -20.414 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -16.431 -2.617 -19.055 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -15.216 -1.322 -18.924 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -14.133 -1.648 -21.791 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -13.094 -1.480 -20.355 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -12.899 -2.880 -21.437 1.00 0.00 H new ATOM 239 N ALA A 13 -12.810 -6.051 -20.828 1.00 0.00 N ATOM 240 CA ALA A 13 -12.539 -6.618 -22.143 1.00 0.00 C ATOM 241 C ALA A 13 -12.928 -8.091 -22.197 1.00 0.00 C ATOM 242 O ALA A 13 -13.503 -8.556 -23.182 1.00 0.00 O ATOM 243 CB ALA A 13 -11.070 -6.445 -22.500 1.00 0.00 C ATOM 0 H ALA A 13 -11.976 -5.840 -20.280 1.00 0.00 H new ATOM 0 HA ALA A 13 -13.145 -6.082 -22.874 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -10.882 -6.873 -23.485 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -10.821 -5.384 -22.512 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -10.453 -6.954 -21.759 1.00 0.00 H new ATOM 249 N TYR A 14 -12.611 -8.821 -21.134 1.00 0.00 N ATOM 250 CA TYR A 14 -12.925 -10.243 -21.062 1.00 0.00 C ATOM 251 C TYR A 14 -14.417 -10.460 -20.827 1.00 0.00 C ATOM 252 O TYR A 14 -14.926 -11.572 -20.975 1.00 0.00 O ATOM 253 CB TYR A 14 -12.120 -10.909 -19.945 1.00 0.00 C ATOM 254 CG TYR A 14 -12.316 -12.406 -19.867 1.00 0.00 C ATOM 255 CD1 TYR A 14 -12.338 -13.184 -21.017 1.00 0.00 C ATOM 256 CD2 TYR A 14 -12.479 -13.042 -18.642 1.00 0.00 C ATOM 257 CE1 TYR A 14 -12.518 -14.553 -20.951 1.00 0.00 C ATOM 258 CE2 TYR A 14 -12.657 -14.410 -18.566 1.00 0.00 C ATOM 259 CZ TYR A 14 -12.676 -15.161 -19.723 1.00 0.00 C ATOM 260 OH TYR A 14 -12.855 -16.523 -19.652 1.00 0.00 O ATOM 0 H TYR A 14 -12.137 -8.452 -20.310 1.00 0.00 H new ATOM 0 HA TYR A 14 -12.655 -10.697 -22.016 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -11.061 -10.697 -20.096 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -12.402 -10.464 -18.991 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -12.212 -12.711 -21.980 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -12.466 -12.457 -17.734 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -12.535 -15.143 -21.855 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -12.781 -14.889 -17.606 1.00 0.00 H new ATOM 0 HH TYR A 14 -12.950 -16.792 -18.714 1.00 0.00 H new ATOM 270 N PHE A 15 -15.113 -9.390 -20.459 1.00 0.00 N ATOM 271 CA PHE A 15 -16.547 -9.461 -20.203 1.00 0.00 C ATOM 272 C PHE A 15 -17.340 -8.930 -21.393 1.00 0.00 C ATOM 273 O PHE A 15 -17.026 -7.872 -21.939 1.00 0.00 O ATOM 274 CB PHE A 15 -16.902 -8.667 -18.944 1.00 0.00 C ATOM 275 CG PHE A 15 -16.681 -9.432 -17.670 1.00 0.00 C ATOM 276 CD1 PHE A 15 -17.113 -10.743 -17.550 1.00 0.00 C ATOM 277 CD2 PHE A 15 -16.041 -8.840 -16.593 1.00 0.00 C ATOM 278 CE1 PHE A 15 -16.911 -11.450 -16.380 1.00 0.00 C ATOM 279 CE2 PHE A 15 -15.835 -9.543 -15.421 1.00 0.00 C ATOM 280 CZ PHE A 15 -16.272 -10.849 -15.313 1.00 0.00 C ATOM 0 H PHE A 15 -14.707 -8.463 -20.331 1.00 0.00 H new ATOM 0 HA PHE A 15 -16.811 -10.507 -20.051 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -16.305 -7.755 -18.919 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -17.947 -8.363 -18.999 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -17.614 -11.218 -18.381 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -15.699 -7.818 -16.670 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -17.252 -12.471 -16.300 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -15.332 -9.071 -14.590 1.00 0.00 H new ATOM 0 HZ PHE A 15 -16.114 -11.399 -14.397 1.00 0.00 H new ATOM 290 N ARG A 16 -18.368 -9.671 -21.790 1.00 0.00 N ATOM 291 CA ARG A 16 -19.205 -9.277 -22.917 1.00 0.00 C ATOM 292 C ARG A 16 -19.870 -7.928 -22.654 1.00 0.00 C ATOM 293 O ARG A 16 -19.534 -7.236 -21.693 1.00 0.00 O ATOM 294 CB ARG A 16 -20.272 -10.340 -23.184 1.00 0.00 C ATOM 295 CG ARG A 16 -19.727 -11.758 -23.204 1.00 0.00 C ATOM 296 CD ARG A 16 -20.359 -12.583 -24.314 1.00 0.00 C ATOM 297 NE ARG A 16 -19.459 -12.749 -25.453 1.00 0.00 N ATOM 298 CZ ARG A 16 -19.861 -13.144 -26.655 1.00 0.00 C ATOM 299 NH1 ARG A 16 -21.141 -13.412 -26.875 1.00 0.00 N ATOM 300 NH2 ARG A 16 -18.983 -13.271 -27.641 1.00 0.00 N ATOM 0 H ARG A 16 -18.642 -10.548 -21.348 1.00 0.00 H new ATOM 0 HA ARG A 16 -18.567 -9.184 -23.796 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -21.045 -10.267 -22.418 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -20.750 -10.130 -24.141 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -18.646 -11.731 -23.340 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -19.916 -12.235 -22.242 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -20.636 -13.563 -23.925 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -21.278 -12.101 -24.646 1.00 0.00 H new ATOM 0 HE ARG A 16 -18.468 -12.551 -25.317 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -21.820 -13.315 -26.120 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -21.447 -13.715 -27.800 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -17.998 -13.065 -27.476 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -19.293 -13.575 -28.564 1.00 0.00 H new ATOM 314 N ILE A 17 -20.815 -7.563 -23.514 1.00 0.00 N ATOM 315 CA ILE A 17 -21.526 -6.298 -23.374 1.00 0.00 C ATOM 316 C ILE A 17 -22.319 -6.255 -22.072 1.00 0.00 C ATOM 317 O ILE A 17 -22.614 -5.181 -21.547 1.00 0.00 O ATOM 318 CB ILE A 17 -22.487 -6.059 -24.554 1.00 0.00 C ATOM 319 CG1 ILE A 17 -21.782 -6.352 -25.881 1.00 0.00 C ATOM 320 CG2 ILE A 17 -23.010 -4.631 -24.530 1.00 0.00 C ATOM 321 CD1 ILE A 17 -22.353 -5.581 -27.050 1.00 0.00 C ATOM 0 H ILE A 17 -21.106 -8.125 -24.314 1.00 0.00 H new ATOM 0 HA ILE A 17 -20.772 -5.511 -23.364 1.00 0.00 H new ATOM 0 HB ILE A 17 -23.335 -6.737 -24.457 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -20.723 -6.114 -25.781 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -21.850 -7.419 -26.092 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -23.688 -4.478 -25.370 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -23.544 -4.455 -23.596 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -22.174 -3.936 -24.607 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -21.806 -5.838 -27.957 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -23.405 -5.837 -27.176 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -22.260 -4.512 -26.861 1.00 0.00 H new ATOM 333 N LYS A 18 -22.659 -7.430 -21.553 1.00 0.00 N ATOM 334 CA LYS A 18 -23.414 -7.528 -20.310 1.00 0.00 C ATOM 335 C LYS A 18 -22.800 -6.645 -19.229 1.00 0.00 C ATOM 336 O LYS A 18 -23.501 -5.881 -18.566 1.00 0.00 O ATOM 337 CB LYS A 18 -23.462 -8.981 -19.831 1.00 0.00 C ATOM 338 CG LYS A 18 -24.045 -9.940 -20.854 1.00 0.00 C ATOM 339 CD LYS A 18 -25.463 -9.551 -21.238 1.00 0.00 C ATOM 340 CE LYS A 18 -26.152 -10.658 -22.021 1.00 0.00 C ATOM 341 NZ LYS A 18 -27.607 -10.391 -22.195 1.00 0.00 N ATOM 0 H LYS A 18 -22.423 -8.328 -21.975 1.00 0.00 H new ATOM 0 HA LYS A 18 -24.429 -7.182 -20.503 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -22.453 -9.304 -19.576 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -24.054 -9.034 -18.917 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -23.416 -9.951 -21.744 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -24.041 -10.952 -20.449 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -26.037 -9.329 -20.338 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -25.442 -8.640 -21.836 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -25.682 -10.758 -22.999 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -26.016 -11.608 -21.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -28.041 -11.168 -22.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -28.061 -10.321 -21.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -27.737 -9.498 -22.711 1.00 0.00 H new ATOM 355 N GLU A 19 -21.486 -6.755 -19.057 1.00 0.00 N ATOM 356 CA GLU A 19 -20.778 -5.965 -18.056 1.00 0.00 C ATOM 357 C GLU A 19 -20.802 -4.483 -18.416 1.00 0.00 C ATOM 358 O GLU A 19 -21.201 -3.642 -17.609 1.00 0.00 O ATOM 359 CB GLU A 19 -19.332 -6.446 -17.924 1.00 0.00 C ATOM 360 CG GLU A 19 -18.607 -5.873 -16.718 1.00 0.00 C ATOM 361 CD GLU A 19 -17.809 -4.628 -17.055 1.00 0.00 C ATOM 362 OE1 GLU A 19 -17.276 -4.551 -18.181 1.00 0.00 O ATOM 363 OE2 GLU A 19 -17.717 -3.731 -16.190 1.00 0.00 O ATOM 0 H GLU A 19 -20.891 -7.383 -19.597 1.00 0.00 H new ATOM 0 HA GLU A 19 -21.286 -6.097 -17.101 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -19.325 -7.534 -17.858 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -18.785 -6.177 -18.828 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -19.334 -5.635 -15.941 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -17.938 -6.629 -16.308 1.00 0.00 H new ATOM 370 N LEU A 20 -20.372 -4.169 -19.633 1.00 0.00 N ATOM 371 CA LEU A 20 -20.343 -2.788 -20.102 1.00 0.00 C ATOM 372 C LEU A 20 -21.693 -2.111 -19.885 1.00 0.00 C ATOM 373 O LEU A 20 -21.775 -1.048 -19.270 1.00 0.00 O ATOM 374 CB LEU A 20 -19.967 -2.739 -21.584 1.00 0.00 C ATOM 375 CG LEU A 20 -18.989 -3.812 -22.064 1.00 0.00 C ATOM 376 CD1 LEU A 20 -18.559 -3.539 -23.497 1.00 0.00 C ATOM 377 CD2 LEU A 20 -17.777 -3.877 -21.146 1.00 0.00 C ATOM 0 H LEU A 20 -20.039 -4.852 -20.313 1.00 0.00 H new ATOM 0 HA LEU A 20 -19.591 -2.250 -19.525 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -20.881 -2.819 -22.173 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -19.535 -1.761 -21.797 1.00 0.00 H new ATOM 0 HG LEU A 20 -19.495 -4.777 -22.035 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -17.863 -4.313 -23.822 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -19.434 -3.542 -24.146 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -18.071 -2.566 -23.551 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -17.091 -4.646 -21.502 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -17.270 -2.912 -21.143 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -18.100 -4.120 -20.134 1.00 0.00 H new ATOM 389 N LYS A 21 -22.750 -2.734 -20.394 1.00 0.00 N ATOM 390 CA LYS A 21 -24.098 -2.195 -20.254 1.00 0.00 C ATOM 391 C LYS A 21 -24.490 -2.087 -18.784 1.00 0.00 C ATOM 392 O LYS A 21 -25.122 -1.115 -18.370 1.00 0.00 O ATOM 393 CB LYS A 21 -25.102 -3.078 -20.998 1.00 0.00 C ATOM 394 CG LYS A 21 -26.503 -2.493 -21.052 1.00 0.00 C ATOM 395 CD LYS A 21 -26.908 -2.149 -22.476 1.00 0.00 C ATOM 396 CE LYS A 21 -26.200 -0.897 -22.970 1.00 0.00 C ATOM 397 NZ LYS A 21 -26.073 -0.880 -24.453 1.00 0.00 N ATOM 0 H LYS A 21 -22.699 -3.614 -20.908 1.00 0.00 H new ATOM 0 HA LYS A 21 -24.111 -1.196 -20.689 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -24.746 -3.241 -22.015 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -25.143 -4.054 -20.514 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -27.213 -3.206 -20.633 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -26.548 -1.597 -20.433 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -26.672 -2.985 -23.134 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -27.987 -2.001 -22.523 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -26.751 -0.015 -22.643 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -25.209 -0.839 -22.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -25.585 -0.011 -24.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -25.526 -1.708 -24.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -27.020 -0.910 -24.883 1.00 0.00 H new ATOM 411 N ASP A 22 -24.112 -3.090 -18.000 1.00 0.00 N ATOM 412 CA ASP A 22 -24.422 -3.107 -16.575 1.00 0.00 C ATOM 413 C ASP A 22 -23.967 -1.814 -15.905 1.00 0.00 C ATOM 414 O ASP A 22 -24.746 -1.152 -15.218 1.00 0.00 O ATOM 415 CB ASP A 22 -23.757 -4.307 -15.900 1.00 0.00 C ATOM 416 CG ASP A 22 -24.747 -5.406 -15.567 1.00 0.00 C ATOM 417 OD1 ASP A 22 -25.078 -6.200 -16.472 1.00 0.00 O ATOM 418 OD2 ASP A 22 -25.192 -5.471 -14.402 1.00 0.00 O ATOM 0 H ASP A 22 -23.590 -3.903 -18.327 1.00 0.00 H new ATOM 0 HA ASP A 22 -25.503 -3.192 -16.465 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -22.983 -4.706 -16.555 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -23.263 -3.978 -14.986 1.00 0.00 H new ATOM 423 N ILE A 23 -22.702 -1.461 -16.109 1.00 0.00 N ATOM 424 CA ILE A 23 -22.144 -0.248 -15.524 1.00 0.00 C ATOM 425 C ILE A 23 -22.744 0.998 -16.167 1.00 0.00 C ATOM 426 O ILE A 23 -22.938 2.019 -15.506 1.00 0.00 O ATOM 427 CB ILE A 23 -20.613 -0.204 -15.676 1.00 0.00 C ATOM 428 CG1 ILE A 23 -20.001 -1.554 -15.297 1.00 0.00 C ATOM 429 CG2 ILE A 23 -20.028 0.908 -14.817 1.00 0.00 C ATOM 430 CD1 ILE A 23 -20.348 -2.003 -13.895 1.00 0.00 C ATOM 0 H ILE A 23 -22.045 -1.998 -16.675 1.00 0.00 H new ATOM 0 HA ILE A 23 -22.395 -0.263 -14.464 1.00 0.00 H new ATOM 0 HB ILE A 23 -20.372 0.003 -16.719 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -20.340 -2.309 -16.006 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -18.917 -1.492 -15.392 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -18.945 0.927 -14.935 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -20.444 1.866 -15.129 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -20.276 0.728 -13.771 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -19.880 -2.967 -13.695 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -19.984 -1.268 -13.177 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -21.430 -2.098 -13.801 1.00 0.00 H new ATOM 442 N LEU A 24 -23.038 0.907 -17.459 1.00 0.00 N ATOM 443 CA LEU A 24 -23.619 2.026 -18.193 1.00 0.00 C ATOM 444 C LEU A 24 -24.986 2.397 -17.627 1.00 0.00 C ATOM 445 O LEU A 24 -25.203 3.527 -17.193 1.00 0.00 O ATOM 446 CB LEU A 24 -23.745 1.679 -19.677 1.00 0.00 C ATOM 447 CG LEU A 24 -22.647 2.225 -20.590 1.00 0.00 C ATOM 448 CD1 LEU A 24 -21.282 1.729 -20.138 1.00 0.00 C ATOM 449 CD2 LEU A 24 -22.909 1.829 -22.036 1.00 0.00 C ATOM 0 H LEU A 24 -22.884 0.070 -18.020 1.00 0.00 H new ATOM 0 HA LEU A 24 -22.956 2.884 -18.083 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -23.765 0.594 -19.775 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -24.705 2.049 -20.036 1.00 0.00 H new ATOM 0 HG LEU A 24 -22.655 3.313 -20.526 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -20.513 2.128 -20.799 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -21.093 2.064 -19.118 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -21.261 0.640 -20.172 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -22.117 2.226 -22.671 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -22.929 0.742 -22.118 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -23.869 2.234 -22.356 1.00 0.00 H new ATOM 461 N ASN A 25 -25.904 1.436 -17.635 1.00 0.00 N ATOM 462 CA ASN A 25 -27.251 1.661 -17.121 1.00 0.00 C ATOM 463 C ASN A 25 -27.208 2.126 -15.669 1.00 0.00 C ATOM 464 O ASN A 25 -27.987 2.987 -15.260 1.00 0.00 O ATOM 465 CB ASN A 25 -28.083 0.382 -17.235 1.00 0.00 C ATOM 466 CG ASN A 25 -27.946 -0.507 -16.014 1.00 0.00 C ATOM 467 OD1 ASN A 25 -28.530 -0.234 -14.965 1.00 0.00 O ATOM 468 ND2 ASN A 25 -27.170 -1.577 -16.145 1.00 0.00 N ATOM 0 H ASN A 25 -25.740 0.494 -17.991 1.00 0.00 H new ATOM 0 HA ASN A 25 -27.716 2.443 -17.721 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -29.132 0.645 -17.374 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -27.773 -0.172 -18.121 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -27.039 -2.211 -15.357 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -26.705 -1.764 -17.033 1.00 0.00 H new ATOM 475 N GLN A 26 -26.293 1.551 -14.896 1.00 0.00 N ATOM 476 CA GLN A 26 -26.149 1.907 -13.489 1.00 0.00 C ATOM 477 C GLN A 26 -25.459 3.259 -13.337 1.00 0.00 C ATOM 478 O GLN A 26 -25.560 3.905 -12.294 1.00 0.00 O ATOM 479 CB GLN A 26 -25.356 0.830 -12.747 1.00 0.00 C ATOM 480 CG GLN A 26 -26.187 -0.385 -12.367 1.00 0.00 C ATOM 481 CD GLN A 26 -25.341 -1.538 -11.865 1.00 0.00 C ATOM 482 OE1 GLN A 26 -25.567 -2.060 -10.773 1.00 0.00 O ATOM 483 NE2 GLN A 26 -24.359 -1.942 -12.662 1.00 0.00 N ATOM 0 H GLN A 26 -25.640 0.837 -15.220 1.00 0.00 H new ATOM 0 HA GLN A 26 -27.146 1.978 -13.055 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -24.523 0.509 -13.372 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -24.928 1.264 -11.843 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -26.904 -0.103 -11.596 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -26.762 -0.712 -13.233 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -24.208 -1.480 -13.559 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -23.756 -2.714 -12.377 1.00 0.00 H new ATOM 492 N LEU A 27 -24.758 3.680 -14.384 1.00 0.00 N ATOM 493 CA LEU A 27 -24.050 4.955 -14.367 1.00 0.00 C ATOM 494 C LEU A 27 -24.966 6.092 -14.809 1.00 0.00 C ATOM 495 O LEU A 27 -24.856 7.216 -14.321 1.00 0.00 O ATOM 496 CB LEU A 27 -22.822 4.892 -15.277 1.00 0.00 C ATOM 497 CG LEU A 27 -21.538 4.365 -14.636 1.00 0.00 C ATOM 498 CD1 LEU A 27 -20.563 3.892 -15.703 1.00 0.00 C ATOM 499 CD2 LEU A 27 -20.898 5.436 -13.765 1.00 0.00 C ATOM 0 H LEU A 27 -24.665 3.157 -15.255 1.00 0.00 H new ATOM 0 HA LEU A 27 -23.727 5.149 -13.344 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -23.062 4.262 -16.134 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -22.628 5.893 -15.662 1.00 0.00 H new ATOM 0 HG LEU A 27 -21.794 3.515 -14.004 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -19.655 3.521 -15.227 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -21.021 3.092 -16.285 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -20.313 4.724 -16.362 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -19.985 5.043 -13.317 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -20.657 6.306 -14.376 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -21.593 5.727 -12.977 1.00 0.00 H new ATOM 619 N LYS A 35 -19.252 -2.319 -29.084 1.00 0.00 N ATOM 620 CA LYS A 35 -18.363 -2.808 -28.038 1.00 0.00 C ATOM 621 C LYS A 35 -17.245 -1.807 -27.763 1.00 0.00 C ATOM 622 O LYS A 35 -16.722 -1.738 -26.651 1.00 0.00 O ATOM 623 CB LYS A 35 -17.766 -4.159 -28.437 1.00 0.00 C ATOM 624 CG LYS A 35 -18.447 -5.344 -27.775 1.00 0.00 C ATOM 625 CD LYS A 35 -18.001 -5.509 -26.332 1.00 0.00 C ATOM 626 CE LYS A 35 -16.658 -6.217 -26.241 1.00 0.00 C ATOM 627 NZ LYS A 35 -16.729 -7.611 -26.760 1.00 0.00 N ATOM 0 HA LYS A 35 -18.948 -2.932 -27.127 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -17.832 -4.271 -29.519 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -16.707 -4.169 -28.180 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -19.528 -5.209 -27.809 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -18.221 -6.253 -28.333 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -17.930 -4.530 -25.858 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -18.751 -6.077 -25.781 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -15.913 -5.657 -26.806 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -16.325 -6.232 -25.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -15.970 -8.179 -26.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -17.651 -8.026 -26.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -16.616 -7.603 -27.794 1.00 0.00 H new ATOM 641 N GLN A 36 -16.884 -1.034 -28.782 1.00 0.00 N ATOM 642 CA GLN A 36 -15.829 -0.037 -28.648 1.00 0.00 C ATOM 643 C GLN A 36 -16.304 1.151 -27.820 1.00 0.00 C ATOM 644 O GLN A 36 -15.612 1.600 -26.906 1.00 0.00 O ATOM 645 CB GLN A 36 -15.370 0.438 -30.028 1.00 0.00 C ATOM 646 CG GLN A 36 -14.172 -0.326 -30.567 1.00 0.00 C ATOM 647 CD GLN A 36 -12.903 -0.050 -29.785 1.00 0.00 C ATOM 648 OE1 GLN A 36 -12.701 -0.791 -28.702 1.00 0.00 O flip ATOM 649 NE2 GLN A 36 -12.112 0.820 -30.151 1.00 0.00 N flip ATOM 0 H GLN A 36 -17.307 -1.079 -29.709 1.00 0.00 H new ATOM 0 HA GLN A 36 -14.988 -0.501 -28.133 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -16.198 0.341 -30.730 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -15.120 1.498 -29.974 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -14.385 -1.395 -30.540 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -14.016 -0.058 -31.612 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -12.307 1.366 -30.990 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -11.262 0.994 -29.615 1.00 0.00 H new ATOM 658 N ASP A 37 -17.489 1.657 -28.145 1.00 0.00 N ATOM 659 CA ASP A 37 -18.058 2.794 -27.430 1.00 0.00 C ATOM 660 C ASP A 37 -18.252 2.465 -25.953 1.00 0.00 C ATOM 661 O ASP A 37 -17.862 3.239 -25.078 1.00 0.00 O ATOM 662 CB ASP A 37 -19.394 3.200 -28.055 1.00 0.00 C ATOM 663 CG ASP A 37 -19.325 4.549 -28.742 1.00 0.00 C ATOM 664 OD1 ASP A 37 -18.811 5.504 -28.123 1.00 0.00 O ATOM 665 OD2 ASP A 37 -19.786 4.651 -29.898 1.00 0.00 O ATOM 0 H ASP A 37 -18.074 1.298 -28.899 1.00 0.00 H new ATOM 0 HA ASP A 37 -17.361 3.628 -27.509 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -19.699 2.443 -28.777 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -20.160 3.229 -27.280 1.00 0.00 H new ATOM 670 N LEU A 38 -18.857 1.314 -25.683 1.00 0.00 N ATOM 671 CA LEU A 38 -19.104 0.882 -24.312 1.00 0.00 C ATOM 672 C LEU A 38 -17.795 0.740 -23.542 1.00 0.00 C ATOM 673 O LEU A 38 -17.598 1.383 -22.510 1.00 0.00 O ATOM 674 CB LEU A 38 -19.862 -0.446 -24.303 1.00 0.00 C ATOM 675 CG LEU A 38 -21.098 -0.520 -25.200 1.00 0.00 C ATOM 676 CD1 LEU A 38 -21.164 -1.864 -25.908 1.00 0.00 C ATOM 677 CD2 LEU A 38 -22.362 -0.281 -24.387 1.00 0.00 C ATOM 0 H LEU A 38 -19.186 0.663 -26.396 1.00 0.00 H new ATOM 0 HA LEU A 38 -19.712 1.642 -23.821 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -19.173 -1.236 -24.602 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -20.168 -0.660 -23.279 1.00 0.00 H new ATOM 0 HG LEU A 38 -21.022 0.262 -25.955 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -22.050 -1.898 -26.542 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -20.273 -1.996 -26.522 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -21.216 -2.663 -25.168 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -23.232 -0.337 -25.042 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -22.443 -1.040 -23.609 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -22.317 0.706 -23.927 1.00 0.00 H new ATOM 689 N ILE A 39 -16.904 -0.105 -24.050 1.00 0.00 N ATOM 690 CA ILE A 39 -15.613 -0.328 -23.412 1.00 0.00 C ATOM 691 C ILE A 39 -14.885 0.989 -23.168 1.00 0.00 C ATOM 692 O ILE A 39 -14.417 1.256 -22.061 1.00 0.00 O ATOM 693 CB ILE A 39 -14.717 -1.248 -24.262 1.00 0.00 C ATOM 694 CG1 ILE A 39 -14.930 -2.711 -23.867 1.00 0.00 C ATOM 695 CG2 ILE A 39 -13.255 -0.858 -24.102 1.00 0.00 C ATOM 696 CD1 ILE A 39 -15.235 -3.615 -25.041 1.00 0.00 C ATOM 0 H ILE A 39 -17.053 -0.646 -24.902 1.00 0.00 H new ATOM 0 HA ILE A 39 -15.813 -0.812 -22.456 1.00 0.00 H new ATOM 0 HB ILE A 39 -14.992 -1.131 -25.310 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -14.037 -3.076 -23.360 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -15.749 -2.770 -23.151 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -12.634 -1.517 -24.709 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -13.116 0.173 -24.428 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -12.966 -0.950 -23.055 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -15.374 -4.637 -24.687 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -16.145 -3.275 -25.535 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -14.406 -3.586 -25.748 1.00 0.00 H new ATOM 708 N ASP A 40 -14.794 1.810 -24.209 1.00 0.00 N ATOM 709 CA ASP A 40 -14.125 3.102 -24.108 1.00 0.00 C ATOM 710 C ASP A 40 -14.838 4.006 -23.107 1.00 0.00 C ATOM 711 O ASP A 40 -14.220 4.873 -22.489 1.00 0.00 O ATOM 712 CB ASP A 40 -14.070 3.780 -25.477 1.00 0.00 C ATOM 713 CG ASP A 40 -12.913 4.753 -25.595 1.00 0.00 C ATOM 714 OD1 ASP A 40 -12.036 4.741 -24.707 1.00 0.00 O ATOM 715 OD2 ASP A 40 -12.886 5.526 -26.576 1.00 0.00 O ATOM 0 H ASP A 40 -15.175 1.604 -25.132 1.00 0.00 H new ATOM 0 HA ASP A 40 -13.108 2.930 -23.755 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -13.982 3.019 -26.253 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -15.006 4.310 -25.655 1.00 0.00 H new ATOM 720 N ARG A 41 -16.142 3.798 -22.953 1.00 0.00 N ATOM 721 CA ARG A 41 -16.939 4.595 -22.029 1.00 0.00 C ATOM 722 C ARG A 41 -16.531 4.323 -20.584 1.00 0.00 C ATOM 723 O ARG A 41 -16.268 5.249 -19.817 1.00 0.00 O ATOM 724 CB ARG A 41 -18.427 4.295 -22.216 1.00 0.00 C ATOM 725 CG ARG A 41 -19.216 5.459 -22.792 1.00 0.00 C ATOM 726 CD ARG A 41 -19.214 6.654 -21.851 1.00 0.00 C ATOM 727 NE ARG A 41 -19.485 6.262 -20.470 1.00 0.00 N ATOM 728 CZ ARG A 41 -20.672 5.847 -20.043 1.00 0.00 C ATOM 729 NH1 ARG A 41 -21.693 5.770 -20.885 1.00 0.00 N ATOM 730 NH2 ARG A 41 -20.839 5.508 -18.771 1.00 0.00 N ATOM 0 H ARG A 41 -16.668 3.084 -23.457 1.00 0.00 H new ATOM 0 HA ARG A 41 -16.758 5.647 -22.247 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -18.535 3.433 -22.874 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -18.857 4.017 -21.254 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -18.789 5.750 -23.752 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -20.243 5.146 -22.982 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -18.247 7.155 -21.903 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -19.964 7.374 -22.178 1.00 0.00 H new ATOM 0 HE ARG A 41 -18.720 6.310 -19.797 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -21.568 6.030 -21.863 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -22.604 5.451 -20.554 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -20.055 5.566 -18.121 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -21.751 5.189 -18.444 1.00 0.00 H new ATOM 744 N VAL A 42 -16.482 3.045 -20.219 1.00 0.00 N ATOM 745 CA VAL A 42 -16.107 2.650 -18.867 1.00 0.00 C ATOM 746 C VAL A 42 -14.699 3.126 -18.527 1.00 0.00 C ATOM 747 O VAL A 42 -14.487 3.803 -17.520 1.00 0.00 O ATOM 748 CB VAL A 42 -16.177 1.122 -18.689 1.00 0.00 C ATOM 749 CG1 VAL A 42 -15.542 0.708 -17.371 1.00 0.00 C ATOM 750 CG2 VAL A 42 -17.619 0.643 -18.769 1.00 0.00 C ATOM 0 H VAL A 42 -16.697 2.266 -20.841 1.00 0.00 H new ATOM 0 HA VAL A 42 -16.820 3.120 -18.190 1.00 0.00 H new ATOM 0 HB VAL A 42 -15.616 0.653 -19.498 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -15.601 -0.375 -17.263 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -14.497 1.018 -17.357 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -16.072 1.184 -16.546 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -17.651 -0.439 -18.641 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -18.205 1.119 -17.982 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -18.036 0.906 -19.741 1.00 0.00 H new ATOM 760 N LEU A 43 -13.739 2.768 -19.372 1.00 0.00 N ATOM 761 CA LEU A 43 -12.349 3.158 -19.162 1.00 0.00 C ATOM 762 C LEU A 43 -12.214 4.676 -19.099 1.00 0.00 C ATOM 763 O LEU A 43 -11.409 5.206 -18.334 1.00 0.00 O ATOM 764 CB LEU A 43 -11.467 2.602 -20.282 1.00 0.00 C ATOM 765 CG LEU A 43 -11.603 1.105 -20.562 1.00 0.00 C ATOM 766 CD1 LEU A 43 -10.544 0.650 -21.553 1.00 0.00 C ATOM 767 CD2 LEU A 43 -11.504 0.309 -19.269 1.00 0.00 C ATOM 0 H LEU A 43 -13.897 2.208 -20.210 1.00 0.00 H new ATOM 0 HA LEU A 43 -12.020 2.742 -18.210 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -11.694 3.145 -21.199 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -10.426 2.812 -20.036 1.00 0.00 H new ATOM 0 HG LEU A 43 -12.584 0.924 -21.001 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -10.656 -0.418 -21.740 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -10.662 1.197 -22.488 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -9.553 0.844 -21.142 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -11.603 -0.754 -19.488 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -10.537 0.495 -18.801 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -12.301 0.616 -18.591 1.00 0.00 H new ATOM 779 N ALA A 44 -13.008 5.370 -19.908 1.00 0.00 N ATOM 780 CA ALA A 44 -12.980 6.827 -19.941 1.00 0.00 C ATOM 781 C ALA A 44 -13.478 7.416 -18.626 1.00 0.00 C ATOM 782 O ALA A 44 -13.060 8.502 -18.222 1.00 0.00 O ATOM 783 CB ALA A 44 -13.815 7.345 -21.103 1.00 0.00 C ATOM 0 H ALA A 44 -13.679 4.946 -20.549 1.00 0.00 H new ATOM 0 HA ALA A 44 -11.946 7.142 -20.082 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -13.785 8.435 -21.115 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -13.413 6.960 -22.040 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -14.846 7.012 -20.987 1.00 0.00 H new ATOM 789 N LEU A 45 -14.373 6.693 -17.962 1.00 0.00 N ATOM 790 CA LEU A 45 -14.930 7.145 -16.691 1.00 0.00 C ATOM 791 C LEU A 45 -13.936 6.929 -15.554 1.00 0.00 C ATOM 792 O LEU A 45 -13.740 7.806 -14.711 1.00 0.00 O ATOM 793 CB LEU A 45 -16.234 6.404 -16.391 1.00 0.00 C ATOM 794 CG LEU A 45 -16.309 5.699 -15.036 1.00 0.00 C ATOM 795 CD1 LEU A 45 -16.518 6.709 -13.919 1.00 0.00 C ATOM 796 CD2 LEU A 45 -17.423 4.662 -15.036 1.00 0.00 C ATOM 0 H LEU A 45 -14.729 5.792 -18.282 1.00 0.00 H new ATOM 0 HA LEU A 45 -15.136 8.212 -16.771 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -17.056 7.117 -16.453 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -16.395 5.662 -17.173 1.00 0.00 H new ATOM 0 HG LEU A 45 -15.363 5.187 -14.861 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -16.569 6.189 -12.963 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -15.686 7.413 -13.905 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -17.449 7.250 -14.087 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -17.462 4.170 -14.064 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -18.376 5.152 -15.233 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -17.229 3.920 -15.811 1.00 0.00 H new ATOM 808 N LEU A 46 -13.309 5.758 -15.537 1.00 0.00 N ATOM 809 CA LEU A 46 -12.333 5.427 -14.505 1.00 0.00 C ATOM 810 C LEU A 46 -10.991 6.093 -14.791 1.00 0.00 C ATOM 811 O LEU A 46 -10.106 6.127 -13.935 1.00 0.00 O ATOM 812 CB LEU A 46 -12.153 3.911 -14.413 1.00 0.00 C ATOM 813 CG LEU A 46 -13.431 3.076 -14.511 1.00 0.00 C ATOM 814 CD1 LEU A 46 -13.096 1.594 -14.580 1.00 0.00 C ATOM 815 CD2 LEU A 46 -14.348 3.363 -13.331 1.00 0.00 C ATOM 0 H LEU A 46 -13.459 5.022 -16.227 1.00 0.00 H new ATOM 0 HA LEU A 46 -12.708 5.801 -13.552 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -11.476 3.597 -15.207 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -11.664 3.680 -13.467 1.00 0.00 H new ATOM 0 HG LEU A 46 -13.953 3.353 -15.427 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -14.017 1.016 -14.649 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -12.479 1.401 -15.458 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -12.551 1.302 -13.682 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -15.252 2.760 -13.418 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -13.834 3.115 -12.402 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -14.616 4.420 -13.327 1.00 0.00 H new ATOM 827 N THR A 47 -10.846 6.624 -16.001 1.00 0.00 N ATOM 828 CA THR A 47 -9.613 7.291 -16.401 1.00 0.00 C ATOM 829 C THR A 47 -9.796 8.803 -16.448 1.00 0.00 C ATOM 830 O THR A 47 -9.216 9.534 -15.644 1.00 0.00 O ATOM 831 CB THR A 47 -9.129 6.800 -17.778 1.00 0.00 C ATOM 832 OG1 THR A 47 -8.892 5.388 -17.740 1.00 0.00 O ATOM 833 CG2 THR A 47 -7.857 7.522 -18.195 1.00 0.00 C ATOM 0 H THR A 47 -11.568 6.605 -16.721 1.00 0.00 H new ATOM 0 HA THR A 47 -8.862 7.042 -15.651 1.00 0.00 H new ATOM 0 HB THR A 47 -9.907 7.018 -18.510 1.00 0.00 H new ATOM 0 HG1 THR A 47 -9.675 4.915 -18.093 1.00 0.00 H new ATOM 0 HG21 THR A 47 -7.535 7.158 -19.171 1.00 0.00 H new ATOM 0 HG22 THR A 47 -8.049 8.593 -18.253 1.00 0.00 H new ATOM 0 HG23 THR A 47 -7.074 7.333 -17.461 1.00 0.00 H new ATOM 841 N ASP A 48 -10.604 9.267 -17.395 1.00 0.00 N ATOM 842 CA ASP A 48 -10.865 10.694 -17.546 1.00 0.00 C ATOM 843 C ASP A 48 -11.723 11.214 -16.397 1.00 0.00 C ATOM 844 O ASP A 48 -11.858 12.423 -16.209 1.00 0.00 O ATOM 845 CB ASP A 48 -11.559 10.968 -18.881 1.00 0.00 C ATOM 846 CG ASP A 48 -10.666 11.713 -19.855 1.00 0.00 C ATOM 847 OD1 ASP A 48 -10.337 12.885 -19.580 1.00 0.00 O ATOM 848 OD2 ASP A 48 -10.297 11.123 -20.892 1.00 0.00 O ATOM 0 H ASP A 48 -11.090 8.676 -18.070 1.00 0.00 H new ATOM 0 HA ASP A 48 -9.909 11.217 -17.528 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -11.869 10.023 -19.327 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -12.464 11.549 -18.704 1.00 0.00 H new ATOM 853 N GLU A 49 -12.301 10.293 -15.632 1.00 0.00 N ATOM 854 CA GLU A 49 -13.147 10.660 -14.502 1.00 0.00 C ATOM 855 C GLU A 49 -12.742 9.893 -13.247 1.00 0.00 C ATOM 856 O GLU A 49 -13.551 9.694 -12.342 1.00 0.00 O ATOM 857 CB GLU A 49 -14.617 10.387 -14.828 1.00 0.00 C ATOM 858 CG GLU A 49 -15.445 11.649 -15.008 1.00 0.00 C ATOM 859 CD GLU A 49 -16.494 11.508 -16.093 1.00 0.00 C ATOM 860 OE1 GLU A 49 -16.986 10.379 -16.301 1.00 0.00 O ATOM 861 OE2 GLU A 49 -16.823 12.528 -16.735 1.00 0.00 O ATOM 0 H GLU A 49 -12.199 9.288 -15.774 1.00 0.00 H new ATOM 0 HA GLU A 49 -13.016 11.725 -14.313 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -14.674 9.792 -15.740 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -15.053 9.788 -14.029 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -15.933 11.896 -14.065 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -14.784 12.481 -15.252 1.00 0.00 H new ATOM 1076 N LEU A 63 -22.587 4.536 -9.659 1.00 0.00 N ATOM 1077 CA LEU A 63 -22.192 5.284 -10.847 1.00 0.00 C ATOM 1078 C LEU A 63 -20.781 5.844 -10.695 1.00 0.00 C ATOM 1079 O LEU A 63 -20.427 6.845 -11.317 1.00 0.00 O ATOM 1080 CB LEU A 63 -23.179 6.423 -11.110 1.00 0.00 C ATOM 1081 CG LEU A 63 -23.338 7.445 -9.984 1.00 0.00 C ATOM 1082 CD1 LEU A 63 -22.411 8.630 -10.203 1.00 0.00 C ATOM 1083 CD2 LEU A 63 -24.785 7.908 -9.885 1.00 0.00 C ATOM 0 HA LEU A 63 -22.202 4.600 -11.695 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -22.863 6.950 -12.010 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -24.156 5.989 -11.321 1.00 0.00 H new ATOM 0 HG LEU A 63 -23.065 6.966 -9.044 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -22.539 9.347 -9.392 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -21.377 8.285 -10.223 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -22.652 9.110 -11.152 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -24.880 8.635 -9.078 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -25.085 8.369 -10.826 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -25.428 7.052 -9.679 1.00 0.00 H new ATOM 1095 N THR A 64 -19.977 5.189 -9.862 1.00 0.00 N ATOM 1096 CA THR A 64 -18.605 5.620 -9.628 1.00 0.00 C ATOM 1097 C THR A 64 -17.638 4.444 -9.706 1.00 0.00 C ATOM 1098 O THR A 64 -18.041 3.312 -9.973 1.00 0.00 O ATOM 1099 CB THR A 64 -18.457 6.302 -8.255 1.00 0.00 C ATOM 1100 OG1 THR A 64 -19.688 6.214 -7.529 1.00 0.00 O ATOM 1101 CG2 THR A 64 -18.059 7.761 -8.415 1.00 0.00 C ATOM 0 H THR A 64 -20.253 4.358 -9.339 1.00 0.00 H new ATOM 0 HA THR A 64 -18.362 6.339 -10.410 1.00 0.00 H new ATOM 0 HB THR A 64 -17.672 5.787 -7.701 1.00 0.00 H new ATOM 0 HG1 THR A 64 -19.585 6.648 -6.657 1.00 0.00 H new ATOM 0 HG21 THR A 64 -17.961 8.221 -7.432 1.00 0.00 H new ATOM 0 HG22 THR A 64 -17.107 7.823 -8.941 1.00 0.00 H new ATOM 0 HG23 THR A 64 -18.824 8.286 -8.987 1.00 0.00 H new ATOM 1109 N LYS A 65 -16.359 4.718 -9.470 1.00 0.00 N ATOM 1110 CA LYS A 65 -15.334 3.683 -9.512 1.00 0.00 C ATOM 1111 C LYS A 65 -15.755 2.467 -8.692 1.00 0.00 C ATOM 1112 O LYS A 65 -15.485 1.328 -9.071 1.00 0.00 O ATOM 1113 CB LYS A 65 -14.005 4.231 -8.985 1.00 0.00 C ATOM 1114 CG LYS A 65 -14.087 4.766 -7.566 1.00 0.00 C ATOM 1115 CD LYS A 65 -13.060 5.859 -7.322 1.00 0.00 C ATOM 1116 CE LYS A 65 -11.641 5.327 -7.445 1.00 0.00 C ATOM 1117 NZ LYS A 65 -10.972 5.810 -8.685 1.00 0.00 N ATOM 0 H LYS A 65 -16.008 5.650 -9.247 1.00 0.00 H new ATOM 0 HA LYS A 65 -15.207 3.374 -10.550 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -13.255 3.441 -9.024 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -13.663 5.028 -9.645 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -15.087 5.158 -7.381 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -13.928 3.952 -6.859 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -13.210 6.667 -8.038 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -13.206 6.282 -6.328 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -11.061 5.636 -6.576 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -11.661 4.237 -7.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -10.007 5.425 -8.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -11.511 5.494 -9.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -10.930 6.849 -8.675 1.00 0.00 H new ATOM 1131 N GLU A 66 -16.419 2.718 -7.568 1.00 0.00 N ATOM 1132 CA GLU A 66 -16.877 1.643 -6.696 1.00 0.00 C ATOM 1133 C GLU A 66 -17.860 0.732 -7.426 1.00 0.00 C ATOM 1134 O GLU A 66 -17.805 -0.490 -7.295 1.00 0.00 O ATOM 1135 CB GLU A 66 -17.535 2.220 -5.440 1.00 0.00 C ATOM 1136 CG GLU A 66 -16.704 3.292 -4.756 1.00 0.00 C ATOM 1137 CD GLU A 66 -17.361 3.826 -3.498 1.00 0.00 C ATOM 1138 OE1 GLU A 66 -17.877 3.008 -2.707 1.00 0.00 O ATOM 1139 OE2 GLU A 66 -17.361 5.059 -3.305 1.00 0.00 O ATOM 0 H GLU A 66 -16.652 3.656 -7.240 1.00 0.00 H new ATOM 0 HA GLU A 66 -16.009 1.052 -6.404 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -18.505 2.640 -5.708 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -17.722 1.411 -4.734 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -15.726 2.883 -4.505 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -16.536 4.115 -5.451 1.00 0.00 H new ATOM 1146 N ALA A 67 -18.759 1.338 -8.194 1.00 0.00 N ATOM 1147 CA ALA A 67 -19.754 0.583 -8.946 1.00 0.00 C ATOM 1148 C ALA A 67 -19.093 -0.291 -10.007 1.00 0.00 C ATOM 1149 O ALA A 67 -19.375 -1.486 -10.104 1.00 0.00 O ATOM 1150 CB ALA A 67 -20.759 1.528 -9.589 1.00 0.00 C ATOM 0 H ALA A 67 -18.819 2.349 -8.312 1.00 0.00 H new ATOM 0 HA ALA A 67 -20.280 -0.071 -8.250 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -21.496 0.951 -10.147 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -21.262 2.106 -8.814 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -20.239 2.205 -10.267 1.00 0.00 H new ATOM 1156 N VAL A 68 -18.214 0.312 -10.801 1.00 0.00 N ATOM 1157 CA VAL A 68 -17.513 -0.412 -11.854 1.00 0.00 C ATOM 1158 C VAL A 68 -16.780 -1.625 -11.293 1.00 0.00 C ATOM 1159 O VAL A 68 -16.875 -2.726 -11.835 1.00 0.00 O ATOM 1160 CB VAL A 68 -16.502 0.495 -12.581 1.00 0.00 C ATOM 1161 CG1 VAL A 68 -15.905 -0.225 -13.781 1.00 0.00 C ATOM 1162 CG2 VAL A 68 -17.163 1.797 -13.004 1.00 0.00 C ATOM 0 H VAL A 68 -17.971 1.300 -10.735 1.00 0.00 H new ATOM 0 HA VAL A 68 -18.268 -0.745 -12.566 1.00 0.00 H new ATOM 0 HB VAL A 68 -15.692 0.733 -11.891 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -15.193 0.431 -14.282 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -15.393 -1.127 -13.446 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -16.700 -0.495 -14.476 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -16.434 2.425 -13.516 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -17.993 1.582 -13.677 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -17.536 2.319 -12.123 1.00 0.00 H new ATOM 1172 N ALA A 69 -16.048 -1.416 -10.204 1.00 0.00 N ATOM 1173 CA ALA A 69 -15.300 -2.493 -9.567 1.00 0.00 C ATOM 1174 C ALA A 69 -16.234 -3.452 -8.836 1.00 0.00 C ATOM 1175 O ALA A 69 -15.898 -4.616 -8.619 1.00 0.00 O ATOM 1176 CB ALA A 69 -14.269 -1.922 -8.605 1.00 0.00 C ATOM 0 H ALA A 69 -15.957 -0.510 -9.744 1.00 0.00 H new ATOM 0 HA ALA A 69 -14.783 -3.053 -10.346 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -13.718 -2.737 -8.136 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -13.576 -1.283 -9.152 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -14.774 -1.336 -7.836 1.00 0.00 H new ATOM 1182 N LYS A 70 -17.407 -2.956 -8.459 1.00 0.00 N ATOM 1183 CA LYS A 70 -18.391 -3.769 -7.753 1.00 0.00 C ATOM 1184 C LYS A 70 -18.922 -4.881 -8.651 1.00 0.00 C ATOM 1185 O LYS A 70 -18.966 -6.045 -8.252 1.00 0.00 O ATOM 1186 CB LYS A 70 -19.549 -2.895 -7.265 1.00 0.00 C ATOM 1187 CG LYS A 70 -20.680 -3.684 -6.629 1.00 0.00 C ATOM 1188 CD LYS A 70 -21.480 -2.830 -5.660 1.00 0.00 C ATOM 1189 CE LYS A 70 -22.923 -2.673 -6.116 1.00 0.00 C ATOM 1190 NZ LYS A 70 -23.863 -2.599 -4.964 1.00 0.00 N ATOM 0 H LYS A 70 -17.700 -1.994 -8.630 1.00 0.00 H new ATOM 0 HA LYS A 70 -17.900 -4.224 -6.893 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -19.169 -2.174 -6.542 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -19.943 -2.325 -8.107 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -21.340 -4.068 -7.407 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -20.272 -4.547 -6.103 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -21.458 -3.284 -4.669 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -21.016 -1.848 -5.571 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -23.017 -1.771 -6.720 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -23.196 -3.514 -6.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -24.836 -2.492 -5.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -23.792 -3.471 -4.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -23.619 -1.782 -4.369 1.00 0.00 H new ATOM 1204 N ILE A 71 -19.324 -4.516 -9.864 1.00 0.00 N ATOM 1205 CA ILE A 71 -19.850 -5.484 -10.818 1.00 0.00 C ATOM 1206 C ILE A 71 -18.733 -6.340 -11.404 1.00 0.00 C ATOM 1207 O ILE A 71 -18.890 -7.548 -11.582 1.00 0.00 O ATOM 1208 CB ILE A 71 -20.606 -4.789 -11.966 1.00 0.00 C ATOM 1209 CG1 ILE A 71 -21.488 -3.666 -11.419 1.00 0.00 C ATOM 1210 CG2 ILE A 71 -21.442 -5.799 -12.737 1.00 0.00 C ATOM 1211 CD1 ILE A 71 -22.566 -4.149 -10.474 1.00 0.00 C ATOM 0 H ILE A 71 -19.295 -3.557 -10.209 1.00 0.00 H new ATOM 0 HA ILE A 71 -20.544 -6.122 -10.271 1.00 0.00 H new ATOM 0 HB ILE A 71 -19.877 -4.352 -12.649 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -20.860 -2.942 -10.901 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -21.955 -3.143 -12.253 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -21.970 -5.293 -13.545 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -20.791 -6.567 -13.154 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -22.165 -6.262 -12.065 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -23.152 -3.299 -10.126 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -23.218 -4.851 -10.994 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -22.105 -4.646 -9.620 1.00 0.00 H new ATOM 1223 N VAL A 72 -17.603 -5.707 -11.702 1.00 0.00 N ATOM 1224 CA VAL A 72 -16.457 -6.411 -12.266 1.00 0.00 C ATOM 1225 C VAL A 72 -15.950 -7.486 -11.312 1.00 0.00 C ATOM 1226 O VAL A 72 -15.612 -8.593 -11.732 1.00 0.00 O ATOM 1227 CB VAL A 72 -15.305 -5.440 -12.588 1.00 0.00 C ATOM 1228 CG1 VAL A 72 -14.026 -6.209 -12.883 1.00 0.00 C ATOM 1229 CG2 VAL A 72 -15.678 -4.541 -13.757 1.00 0.00 C ATOM 0 H VAL A 72 -17.456 -4.707 -11.562 1.00 0.00 H new ATOM 0 HA VAL A 72 -16.796 -6.880 -13.190 1.00 0.00 H new ATOM 0 HB VAL A 72 -15.129 -4.810 -11.716 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -13.223 -5.507 -13.108 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -13.752 -6.807 -12.014 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -14.185 -6.865 -13.739 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -14.853 -3.861 -13.971 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -15.882 -5.153 -14.636 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -16.567 -3.964 -13.503 1.00 0.00 H new ATOM 1239 N ASP A 73 -15.899 -7.153 -10.027 1.00 0.00 N ATOM 1240 CA ASP A 73 -15.433 -8.091 -9.012 1.00 0.00 C ATOM 1241 C ASP A 73 -16.466 -9.188 -8.771 1.00 0.00 C ATOM 1242 O ASP A 73 -16.135 -10.373 -8.755 1.00 0.00 O ATOM 1243 CB ASP A 73 -15.138 -7.355 -7.704 1.00 0.00 C ATOM 1244 CG ASP A 73 -14.216 -8.141 -6.793 1.00 0.00 C ATOM 1245 OD1 ASP A 73 -13.571 -9.094 -7.280 1.00 0.00 O ATOM 1246 OD2 ASP A 73 -14.138 -7.803 -5.594 1.00 0.00 O ATOM 0 H ASP A 73 -16.175 -6.241 -9.663 1.00 0.00 H new ATOM 0 HA ASP A 73 -14.515 -8.554 -9.374 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -14.686 -6.389 -7.928 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -16.075 -7.155 -7.184 1.00 0.00 H new ATOM 1251 N ASP A 74 -17.718 -8.783 -8.584 1.00 0.00 N ATOM 1252 CA ASP A 74 -18.800 -9.731 -8.344 1.00 0.00 C ATOM 1253 C ASP A 74 -18.963 -10.680 -9.527 1.00 0.00 C ATOM 1254 O ASP A 74 -19.136 -11.887 -9.350 1.00 0.00 O ATOM 1255 CB ASP A 74 -20.111 -8.987 -8.086 1.00 0.00 C ATOM 1256 CG ASP A 74 -20.278 -8.597 -6.631 1.00 0.00 C ATOM 1257 OD1 ASP A 74 -19.733 -7.546 -6.232 1.00 0.00 O ATOM 1258 OD2 ASP A 74 -20.954 -9.341 -5.890 1.00 0.00 O ATOM 0 H ASP A 74 -18.008 -7.805 -8.594 1.00 0.00 H new ATOM 0 HA ASP A 74 -18.546 -10.319 -7.462 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -20.145 -8.091 -8.706 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -20.948 -9.616 -8.389 1.00 0.00 H new ATOM 1263 N THR A 75 -18.908 -10.128 -10.735 1.00 0.00 N ATOM 1264 CA THR A 75 -19.053 -10.924 -11.947 1.00 0.00 C ATOM 1265 C THR A 75 -17.876 -11.878 -12.121 1.00 0.00 C ATOM 1266 O THR A 75 -18.057 -13.045 -12.468 1.00 0.00 O ATOM 1267 CB THR A 75 -19.164 -10.030 -13.196 1.00 0.00 C ATOM 1268 OG1 THR A 75 -20.254 -9.114 -13.048 1.00 0.00 O ATOM 1269 CG2 THR A 75 -19.368 -10.871 -14.447 1.00 0.00 C ATOM 0 H THR A 75 -18.764 -9.132 -10.900 1.00 0.00 H new ATOM 0 HA THR A 75 -19.972 -11.500 -11.840 1.00 0.00 H new ATOM 0 HB THR A 75 -18.233 -9.472 -13.300 1.00 0.00 H new ATOM 0 HG1 THR A 75 -20.053 -8.480 -12.329 1.00 0.00 H new ATOM 0 HG21 THR A 75 -19.444 -10.218 -15.316 1.00 0.00 H new ATOM 0 HG22 THR A 75 -18.522 -11.547 -14.573 1.00 0.00 H new ATOM 0 HG23 THR A 75 -20.285 -11.452 -14.349 1.00 0.00 H new ATOM 1277 N TYR A 76 -16.671 -11.374 -11.878 1.00 0.00 N ATOM 1278 CA TYR A 76 -15.465 -12.182 -12.011 1.00 0.00 C ATOM 1279 C TYR A 76 -15.426 -13.280 -10.953 1.00 0.00 C ATOM 1280 O TYR A 76 -15.267 -14.459 -11.271 1.00 0.00 O ATOM 1281 CB TYR A 76 -14.220 -11.300 -11.892 1.00 0.00 C ATOM 1282 CG TYR A 76 -12.991 -11.898 -12.538 1.00 0.00 C ATOM 1283 CD1 TYR A 76 -13.059 -12.483 -13.797 1.00 0.00 C ATOM 1284 CD2 TYR A 76 -11.762 -11.879 -11.890 1.00 0.00 C ATOM 1285 CE1 TYR A 76 -11.938 -13.031 -14.391 1.00 0.00 C ATOM 1286 CE2 TYR A 76 -10.636 -12.423 -12.477 1.00 0.00 C ATOM 1287 CZ TYR A 76 -10.729 -12.999 -13.727 1.00 0.00 C ATOM 1288 OH TYR A 76 -9.611 -13.543 -14.314 1.00 0.00 O ATOM 0 H TYR A 76 -16.504 -10.410 -11.588 1.00 0.00 H new ATOM 0 HA TYR A 76 -15.478 -12.651 -12.995 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -14.426 -10.332 -12.349 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -14.014 -11.118 -10.837 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -14.004 -12.510 -14.320 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -11.686 -11.431 -10.910 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -12.008 -13.482 -15.370 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -9.688 -12.397 -11.960 1.00 0.00 H new ATOM 0 HH TYR A 76 -8.843 -13.437 -13.715 1.00 0.00 H new ATOM 1298 N ARG A 77 -15.573 -12.885 -9.693 1.00 0.00 N ATOM 1299 CA ARG A 77 -15.555 -13.835 -8.587 1.00 0.00 C ATOM 1300 C ARG A 77 -16.623 -14.908 -8.773 1.00 0.00 C ATOM 1301 O ARG A 77 -16.418 -16.071 -8.428 1.00 0.00 O ATOM 1302 CB ARG A 77 -15.773 -13.108 -7.258 1.00 0.00 C ATOM 1303 CG ARG A 77 -17.212 -12.671 -7.033 1.00 0.00 C ATOM 1304 CD ARG A 77 -17.390 -12.026 -5.667 1.00 0.00 C ATOM 1305 NE ARG A 77 -16.966 -10.628 -5.663 1.00 0.00 N ATOM 1306 CZ ARG A 77 -17.324 -9.754 -4.729 1.00 0.00 C ATOM 1307 NH1 ARG A 77 -18.108 -10.132 -3.729 1.00 0.00 N ATOM 1308 NH2 ARG A 77 -16.896 -8.500 -4.794 1.00 0.00 N ATOM 0 H ARG A 77 -15.706 -11.913 -9.412 1.00 0.00 H new ATOM 0 HA ARG A 77 -14.578 -14.318 -8.573 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -15.469 -13.762 -6.441 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -15.126 -12.232 -7.222 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -17.505 -11.966 -7.811 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -17.873 -13.533 -7.119 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -18.437 -12.088 -5.370 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -16.815 -12.581 -4.926 1.00 0.00 H new ATOM 0 HE ARG A 77 -16.362 -10.305 -6.419 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -18.438 -11.096 -3.676 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -18.382 -9.459 -3.013 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -16.292 -8.207 -5.562 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -17.171 -7.829 -4.076 1.00 0.00 H new ATOM 1322 N LYS A 78 -17.766 -14.508 -9.322 1.00 0.00 N ATOM 1323 CA LYS A 78 -18.867 -15.434 -9.556 1.00 0.00 C ATOM 1324 C LYS A 78 -18.641 -16.237 -10.833 1.00 0.00 C ATOM 1325 O LYS A 78 -19.163 -17.342 -10.983 1.00 0.00 O ATOM 1326 CB LYS A 78 -20.191 -14.671 -9.649 1.00 0.00 C ATOM 1327 CG LYS A 78 -20.692 -14.158 -8.310 1.00 0.00 C ATOM 1328 CD LYS A 78 -21.212 -15.288 -7.438 1.00 0.00 C ATOM 1329 CE LYS A 78 -22.600 -15.734 -7.872 1.00 0.00 C ATOM 1330 NZ LYS A 78 -22.640 -17.187 -8.195 1.00 0.00 N ATOM 0 H LYS A 78 -17.953 -13.548 -9.613 1.00 0.00 H new ATOM 0 HA LYS A 78 -18.911 -16.126 -8.715 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -20.068 -13.828 -10.329 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -20.947 -15.324 -10.085 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -19.884 -13.640 -7.793 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -21.485 -13.428 -8.473 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -20.525 -16.133 -7.488 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -21.242 -14.962 -6.398 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -23.315 -15.519 -7.078 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -22.910 -15.159 -8.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -23.603 -17.451 -8.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -21.976 -17.389 -8.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -22.369 -17.737 -7.355 1.00 0.00 H new ATOM 1344 N MET A 79 -17.859 -15.676 -11.749 1.00 0.00 N ATOM 1345 CA MET A 79 -17.562 -16.342 -13.012 1.00 0.00 C ATOM 1346 C MET A 79 -16.769 -17.624 -12.777 1.00 0.00 C ATOM 1347 O MET A 79 -17.181 -18.704 -13.198 1.00 0.00 O ATOM 1348 CB MET A 79 -16.779 -15.406 -13.935 1.00 0.00 C ATOM 1349 CG MET A 79 -17.526 -15.044 -15.208 1.00 0.00 C ATOM 1350 SD MET A 79 -16.537 -15.306 -16.693 1.00 0.00 S ATOM 1351 CE MET A 79 -15.208 -14.135 -16.424 1.00 0.00 C ATOM 0 H MET A 79 -17.419 -14.762 -11.641 1.00 0.00 H new ATOM 0 HA MET A 79 -18.507 -16.602 -13.488 1.00 0.00 H new ATOM 0 HB2 MET A 79 -16.538 -14.492 -13.392 1.00 0.00 H new ATOM 0 HB3 MET A 79 -15.833 -15.878 -14.200 1.00 0.00 H new ATOM 0 HG2 MET A 79 -18.436 -15.640 -15.273 1.00 0.00 H new ATOM 0 HG3 MET A 79 -17.832 -13.999 -15.160 1.00 0.00 H new ATOM 0 HE1 MET A 79 -15.135 -13.464 -17.280 1.00 0.00 H new ATOM 0 HE2 MET A 79 -15.411 -13.554 -15.524 1.00 0.00 H new ATOM 0 HE3 MET A 79 -14.268 -14.673 -16.304 1.00 0.00 H new