USER MOD reduce.3.24.130724 H: found=0, std=0, add=507, rem=0, adj=16 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 94:sc= 0.987 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 CYS SG : rot 89:sc= -1.34 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -171:sc= -2.94 (180deg=-3.32!) 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= -0.0747 F(o=-1.4,f=-0.075) USER MOD Single : A 26 GLN :FLIP amide:sc= -0.167 F(o=-2.1!,f=-0.17) USER MOD Single : A 35 LYS NZ :NH3+ -155:sc= -0.141 (180deg=-0.656) USER MOD Single : A 36 GLN :FLIP amide:sc= -0.328 F(o=-1,f=-0.33) USER MOD Single : A 47 THR OG1 : rot 97:sc= 1.22 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ -156:sc= 0.405 (180deg=-0.148) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 69:sc= 1.17 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 -163:sc= -1.92 (180deg=-2.8) USER MOD ----------------------------------------------------------------- ATOM 63 N SER A 1 -5.082 3.051 -8.442 1.00 0.00 N ATOM 64 CA SER A 1 -5.733 3.600 -9.626 1.00 0.00 C ATOM 65 C SER A 1 -5.454 2.733 -10.850 1.00 0.00 C ATOM 66 O SER A 1 -6.377 2.243 -11.500 1.00 0.00 O ATOM 67 CB SER A 1 -5.255 5.031 -9.880 1.00 0.00 C ATOM 68 OG SER A 1 -5.639 5.892 -8.823 1.00 0.00 O ATOM 0 H1 SER A 1 -5.285 3.657 -7.622 1.00 0.00 H new ATOM 0 H2 SER A 1 -5.441 2.092 -8.262 1.00 0.00 H new ATOM 0 H3 SER A 1 -4.054 3.012 -8.597 1.00 0.00 H new ATOM 0 HA SER A 1 -6.808 3.611 -9.447 1.00 0.00 H new ATOM 0 HB2 SER A 1 -4.170 5.042 -9.986 1.00 0.00 H new ATOM 0 HB3 SER A 1 -5.671 5.395 -10.819 1.00 0.00 H new ATOM 0 HG SER A 1 -5.320 6.800 -9.008 1.00 0.00 H new ATOM 74 N ALA A 2 -4.174 2.550 -11.158 1.00 0.00 N ATOM 75 CA ALA A 2 -3.772 1.741 -12.303 1.00 0.00 C ATOM 76 C ALA A 2 -4.230 0.296 -12.141 1.00 0.00 C ATOM 77 O ALA A 2 -4.365 -0.436 -13.122 1.00 0.00 O ATOM 78 CB ALA A 2 -2.263 1.801 -12.487 1.00 0.00 C ATOM 0 H ALA A 2 -3.398 2.951 -10.631 1.00 0.00 H new ATOM 0 HA ALA A 2 -4.252 2.149 -13.192 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -1.977 1.193 -13.345 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -1.958 2.834 -12.656 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -1.772 1.420 -11.592 1.00 0.00 H new ATOM 84 N ASP A 3 -4.468 -0.110 -10.899 1.00 0.00 N ATOM 85 CA ASP A 3 -4.911 -1.468 -10.609 1.00 0.00 C ATOM 86 C ASP A 3 -6.400 -1.629 -10.903 1.00 0.00 C ATOM 87 O ASP A 3 -6.828 -2.639 -11.462 1.00 0.00 O ATOM 88 CB ASP A 3 -4.626 -1.820 -9.148 1.00 0.00 C ATOM 89 CG ASP A 3 -4.615 -3.317 -8.905 1.00 0.00 C ATOM 90 OD1 ASP A 3 -4.814 -4.077 -9.875 1.00 0.00 O ATOM 91 OD2 ASP A 3 -4.407 -3.728 -7.744 1.00 0.00 O ATOM 0 H ASP A 3 -4.361 0.483 -10.076 1.00 0.00 H new ATOM 0 HA ASP A 3 -4.356 -2.150 -11.253 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -3.663 -1.401 -8.857 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -5.380 -1.357 -8.512 1.00 0.00 H new ATOM 96 N LEU A 4 -7.184 -0.626 -10.522 1.00 0.00 N ATOM 97 CA LEU A 4 -8.625 -0.656 -10.743 1.00 0.00 C ATOM 98 C LEU A 4 -8.951 -0.526 -12.228 1.00 0.00 C ATOM 99 O LEU A 4 -9.846 -1.199 -12.739 1.00 0.00 O ATOM 100 CB LEU A 4 -9.305 0.469 -9.960 1.00 0.00 C ATOM 101 CG LEU A 4 -10.834 0.462 -9.966 1.00 0.00 C ATOM 102 CD1 LEU A 4 -11.375 1.127 -8.710 1.00 0.00 C ATOM 103 CD2 LEU A 4 -11.365 1.157 -11.211 1.00 0.00 C ATOM 0 H LEU A 4 -6.846 0.217 -10.059 1.00 0.00 H new ATOM 0 HA LEU A 4 -9.002 -1.616 -10.389 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -8.965 0.421 -8.925 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -8.964 1.423 -10.363 1.00 0.00 H new ATOM 0 HG LEU A 4 -11.174 -0.573 -9.979 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -12.465 1.113 -8.731 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -11.022 0.587 -7.831 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -11.026 2.159 -8.666 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -12.455 1.143 -11.199 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -11.016 2.189 -11.228 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -11.005 0.637 -12.099 1.00 0.00 H new ATOM 115 N VAL A 5 -8.216 0.342 -12.916 1.00 0.00 N ATOM 116 CA VAL A 5 -8.424 0.558 -14.343 1.00 0.00 C ATOM 117 C VAL A 5 -7.970 -0.650 -15.154 1.00 0.00 C ATOM 118 O VAL A 5 -8.719 -1.177 -15.975 1.00 0.00 O ATOM 119 CB VAL A 5 -7.671 1.807 -14.837 1.00 0.00 C ATOM 120 CG1 VAL A 5 -7.817 1.958 -16.344 1.00 0.00 C ATOM 121 CG2 VAL A 5 -8.173 3.051 -14.118 1.00 0.00 C ATOM 0 H VAL A 5 -7.471 0.907 -12.508 1.00 0.00 H new ATOM 0 HA VAL A 5 -9.494 0.707 -14.488 1.00 0.00 H new ATOM 0 HB VAL A 5 -6.612 1.685 -14.609 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -7.278 2.846 -16.675 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -7.406 1.079 -16.839 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -8.872 2.058 -16.599 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -7.630 3.924 -14.479 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -9.238 3.179 -14.313 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -8.011 2.942 -13.046 1.00 0.00 H new ATOM 131 N SER A 6 -6.736 -1.085 -14.916 1.00 0.00 N ATOM 132 CA SER A 6 -6.179 -2.230 -15.627 1.00 0.00 C ATOM 133 C SER A 6 -7.018 -3.481 -15.384 1.00 0.00 C ATOM 134 O SER A 6 -7.266 -4.263 -16.301 1.00 0.00 O ATOM 135 CB SER A 6 -4.735 -2.477 -15.186 1.00 0.00 C ATOM 136 OG SER A 6 -3.891 -1.411 -15.584 1.00 0.00 O ATOM 0 H SER A 6 -6.104 -0.662 -14.237 1.00 0.00 H new ATOM 0 HA SER A 6 -6.193 -2.006 -16.694 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.697 -2.590 -14.103 1.00 0.00 H new ATOM 0 HB3 SER A 6 -4.374 -3.411 -15.617 1.00 0.00 H new ATOM 0 HG SER A 6 -3.812 -0.765 -14.851 1.00 0.00 H new ATOM 142 N SER A 7 -7.454 -3.662 -14.141 1.00 0.00 N ATOM 143 CA SER A 7 -8.262 -4.819 -13.775 1.00 0.00 C ATOM 144 C SER A 7 -9.650 -4.731 -14.402 1.00 0.00 C ATOM 145 O SER A 7 -10.107 -5.668 -15.058 1.00 0.00 O ATOM 146 CB SER A 7 -8.382 -4.922 -12.253 1.00 0.00 C ATOM 147 OG SER A 7 -9.291 -5.944 -11.882 1.00 0.00 O ATOM 0 H SER A 7 -7.261 -3.022 -13.371 1.00 0.00 H new ATOM 0 HA SER A 7 -7.767 -5.713 -14.154 1.00 0.00 H new ATOM 0 HB2 SER A 7 -7.403 -5.127 -11.821 1.00 0.00 H new ATOM 0 HB3 SER A 7 -8.716 -3.968 -11.846 1.00 0.00 H new ATOM 0 HG SER A 7 -9.349 -5.991 -10.905 1.00 0.00 H new ATOM 153 N CYS A 8 -10.316 -3.601 -14.194 1.00 0.00 N ATOM 154 CA CYS A 8 -11.653 -3.390 -14.737 1.00 0.00 C ATOM 155 C CYS A 8 -11.655 -3.548 -16.254 1.00 0.00 C ATOM 156 O CYS A 8 -12.568 -4.143 -16.826 1.00 0.00 O ATOM 157 CB CYS A 8 -12.168 -2.001 -14.356 1.00 0.00 C ATOM 158 SG CYS A 8 -12.838 -1.896 -12.680 1.00 0.00 S ATOM 0 H CYS A 8 -9.952 -2.817 -13.653 1.00 0.00 H new ATOM 0 HA CYS A 8 -12.314 -4.144 -14.310 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -11.354 -1.283 -14.456 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -12.942 -1.705 -15.064 1.00 0.00 H new ATOM 0 HG CYS A 8 -11.882 -1.609 -11.848 1.00 0.00 H new ATOM 164 N LYS A 9 -10.627 -3.009 -16.901 1.00 0.00 N ATOM 165 CA LYS A 9 -10.508 -3.089 -18.352 1.00 0.00 C ATOM 166 C LYS A 9 -10.356 -4.537 -18.807 1.00 0.00 C ATOM 167 O LYS A 9 -11.110 -5.014 -19.655 1.00 0.00 O ATOM 168 CB LYS A 9 -9.313 -2.264 -18.833 1.00 0.00 C ATOM 169 CG LYS A 9 -8.927 -2.536 -20.277 1.00 0.00 C ATOM 170 CD LYS A 9 -7.600 -3.270 -20.370 1.00 0.00 C ATOM 171 CE LYS A 9 -7.698 -4.485 -21.280 1.00 0.00 C ATOM 172 NZ LYS A 9 -6.582 -4.533 -22.265 1.00 0.00 N ATOM 0 H LYS A 9 -9.864 -2.512 -16.443 1.00 0.00 H new ATOM 0 HA LYS A 9 -11.421 -2.684 -18.789 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -9.545 -1.205 -18.721 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -8.457 -2.472 -18.192 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -9.706 -3.128 -20.758 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -8.862 -1.594 -20.821 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -6.834 -2.593 -20.747 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -7.286 -3.584 -19.375 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -7.688 -5.392 -20.676 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -8.650 -4.465 -21.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -6.685 -5.375 -22.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -6.606 -3.679 -22.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -5.674 -4.578 -21.759 1.00 0.00 H new ATOM 186 N ASP A 10 -9.378 -5.232 -18.236 1.00 0.00 N ATOM 187 CA ASP A 10 -9.130 -6.627 -18.581 1.00 0.00 C ATOM 188 C ASP A 10 -10.416 -7.443 -18.504 1.00 0.00 C ATOM 189 O ASP A 10 -10.779 -8.140 -19.452 1.00 0.00 O ATOM 190 CB ASP A 10 -8.075 -7.225 -17.648 1.00 0.00 C ATOM 191 CG ASP A 10 -8.005 -8.736 -17.747 1.00 0.00 C ATOM 192 OD1 ASP A 10 -7.883 -9.251 -18.878 1.00 0.00 O ATOM 193 OD2 ASP A 10 -8.072 -9.403 -16.693 1.00 0.00 O ATOM 0 H ASP A 10 -8.744 -4.852 -17.533 1.00 0.00 H new ATOM 0 HA ASP A 10 -8.760 -6.662 -19.606 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -7.100 -6.802 -17.889 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -8.300 -6.941 -16.620 1.00 0.00 H new ATOM 198 N LYS A 11 -11.101 -7.353 -17.369 1.00 0.00 N ATOM 199 CA LYS A 11 -12.347 -8.083 -17.168 1.00 0.00 C ATOM 200 C LYS A 11 -13.434 -7.575 -18.111 1.00 0.00 C ATOM 201 O LYS A 11 -14.103 -8.361 -18.783 1.00 0.00 O ATOM 202 CB LYS A 11 -12.813 -7.947 -15.716 1.00 0.00 C ATOM 203 CG LYS A 11 -13.842 -8.987 -15.308 1.00 0.00 C ATOM 204 CD LYS A 11 -15.163 -8.342 -14.922 1.00 0.00 C ATOM 205 CE LYS A 11 -15.721 -7.495 -16.055 1.00 0.00 C ATOM 206 NZ LYS A 11 -17.018 -6.862 -15.687 1.00 0.00 N ATOM 0 H LYS A 11 -10.814 -6.782 -16.574 1.00 0.00 H new ATOM 0 HA LYS A 11 -12.162 -9.135 -17.388 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -11.948 -8.025 -15.057 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -13.236 -6.953 -15.570 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -14.003 -9.684 -16.131 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -13.460 -9.568 -14.468 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -15.883 -9.116 -14.656 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -15.021 -7.721 -14.038 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -15.001 -6.721 -16.318 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -15.858 -8.117 -16.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -17.440 -6.421 -16.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -17.665 -7.587 -15.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -16.856 -6.136 -14.960 1.00 0.00 H new ATOM 220 N LEU A 12 -13.603 -6.259 -18.157 1.00 0.00 N ATOM 221 CA LEU A 12 -14.607 -5.646 -19.019 1.00 0.00 C ATOM 222 C LEU A 12 -14.461 -6.134 -20.457 1.00 0.00 C ATOM 223 O LEU A 12 -15.448 -6.462 -21.115 1.00 0.00 O ATOM 224 CB LEU A 12 -14.488 -4.122 -18.971 1.00 0.00 C ATOM 225 CG LEU A 12 -15.577 -3.340 -19.706 1.00 0.00 C ATOM 226 CD1 LEU A 12 -16.454 -2.588 -18.716 1.00 0.00 C ATOM 227 CD2 LEU A 12 -14.958 -2.378 -20.710 1.00 0.00 C ATOM 0 H LEU A 12 -13.058 -5.595 -17.607 1.00 0.00 H new ATOM 0 HA LEU A 12 -15.591 -5.939 -18.653 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -14.487 -3.810 -17.926 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -13.522 -3.840 -19.389 1.00 0.00 H new ATOM 0 HG LEU A 12 -16.202 -4.048 -20.250 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -17.223 -2.037 -19.257 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -16.926 -3.297 -18.036 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -15.842 -1.890 -18.145 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -15.748 -1.830 -21.224 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -14.309 -1.675 -20.188 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -14.373 -2.939 -21.439 1.00 0.00 H new ATOM 239 N ALA A 13 -13.223 -6.180 -20.938 1.00 0.00 N ATOM 240 CA ALA A 13 -12.947 -6.632 -22.296 1.00 0.00 C ATOM 241 C ALA A 13 -13.132 -8.141 -22.420 1.00 0.00 C ATOM 242 O ALA A 13 -13.499 -8.645 -23.482 1.00 0.00 O ATOM 243 CB ALA A 13 -11.538 -6.235 -22.708 1.00 0.00 C ATOM 0 H ALA A 13 -12.395 -5.910 -20.407 1.00 0.00 H new ATOM 0 HA ALA A 13 -13.659 -6.149 -22.966 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -11.346 -6.579 -23.724 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -11.439 -5.150 -22.667 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -10.818 -6.691 -22.028 1.00 0.00 H new ATOM 249 N TYR A 14 -12.875 -8.856 -21.331 1.00 0.00 N ATOM 250 CA TYR A 14 -13.010 -10.307 -21.319 1.00 0.00 C ATOM 251 C TYR A 14 -14.477 -10.717 -21.231 1.00 0.00 C ATOM 252 O TYR A 14 -14.836 -11.853 -21.543 1.00 0.00 O ATOM 253 CB TYR A 14 -12.231 -10.904 -20.146 1.00 0.00 C ATOM 254 CG TYR A 14 -12.163 -12.414 -20.169 1.00 0.00 C ATOM 255 CD1 TYR A 14 -11.956 -13.102 -21.359 1.00 0.00 C ATOM 256 CD2 TYR A 14 -12.309 -13.154 -19.002 1.00 0.00 C ATOM 257 CE1 TYR A 14 -11.894 -14.482 -21.385 1.00 0.00 C ATOM 258 CE2 TYR A 14 -12.247 -14.534 -19.019 1.00 0.00 C ATOM 259 CZ TYR A 14 -12.040 -15.193 -20.212 1.00 0.00 C ATOM 260 OH TYR A 14 -11.979 -16.568 -20.233 1.00 0.00 O ATOM 0 H TYR A 14 -12.572 -8.454 -20.444 1.00 0.00 H new ATOM 0 HA TYR A 14 -12.599 -10.692 -22.252 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -11.217 -10.503 -20.153 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -12.694 -10.584 -19.213 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -11.842 -12.548 -22.279 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -12.474 -12.642 -18.066 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -11.732 -15.001 -22.318 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -12.360 -15.094 -18.102 1.00 0.00 H new ATOM 0 HH TYR A 14 -12.100 -16.915 -19.324 1.00 0.00 H new ATOM 270 N PHE A 15 -15.321 -9.784 -20.805 1.00 0.00 N ATOM 271 CA PHE A 15 -16.749 -10.046 -20.675 1.00 0.00 C ATOM 272 C PHE A 15 -17.528 -9.397 -21.815 1.00 0.00 C ATOM 273 O PHE A 15 -17.194 -8.300 -22.263 1.00 0.00 O ATOM 274 CB PHE A 15 -17.264 -9.528 -19.330 1.00 0.00 C ATOM 275 CG PHE A 15 -17.247 -10.563 -18.242 1.00 0.00 C ATOM 276 CD1 PHE A 15 -18.305 -11.444 -18.090 1.00 0.00 C ATOM 277 CD2 PHE A 15 -16.173 -10.654 -17.372 1.00 0.00 C ATOM 278 CE1 PHE A 15 -18.292 -12.399 -17.090 1.00 0.00 C ATOM 279 CE2 PHE A 15 -16.154 -11.607 -16.370 1.00 0.00 C ATOM 280 CZ PHE A 15 -17.216 -12.479 -16.228 1.00 0.00 C ATOM 0 H PHE A 15 -15.040 -8.839 -20.544 1.00 0.00 H new ATOM 0 HA PHE A 15 -16.901 -11.124 -20.723 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -16.656 -8.678 -19.021 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -18.283 -9.163 -19.457 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -19.150 -11.384 -18.760 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -15.341 -9.973 -17.477 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -19.122 -13.081 -16.983 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -15.310 -11.669 -15.699 1.00 0.00 H new ATOM 0 HZ PHE A 15 -17.205 -13.222 -15.444 1.00 0.00 H new ATOM 290 N ARG A 16 -18.567 -10.083 -22.280 1.00 0.00 N ATOM 291 CA ARG A 16 -19.392 -9.574 -23.369 1.00 0.00 C ATOM 292 C ARG A 16 -19.957 -8.199 -23.027 1.00 0.00 C ATOM 293 O ARG A 16 -19.690 -7.657 -21.954 1.00 0.00 O ATOM 294 CB ARG A 16 -20.535 -10.546 -23.668 1.00 0.00 C ATOM 295 CG ARG A 16 -20.091 -11.997 -23.765 1.00 0.00 C ATOM 296 CD ARG A 16 -20.746 -12.703 -24.942 1.00 0.00 C ATOM 297 NE ARG A 16 -20.143 -12.319 -26.215 1.00 0.00 N ATOM 298 CZ ARG A 16 -20.711 -12.544 -27.395 1.00 0.00 C ATOM 299 NH1 ARG A 16 -21.889 -13.148 -27.463 1.00 0.00 N ATOM 300 NH2 ARG A 16 -20.100 -12.165 -28.510 1.00 0.00 N ATOM 0 H ARG A 16 -18.857 -10.992 -21.920 1.00 0.00 H new ATOM 0 HA ARG A 16 -18.763 -9.479 -24.254 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -21.290 -10.457 -22.887 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -21.011 -10.257 -24.605 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -19.007 -12.041 -23.871 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -20.342 -12.518 -22.841 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -20.660 -13.782 -24.811 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -21.810 -12.468 -24.959 1.00 0.00 H new ATOM 0 HE ARG A 16 -19.236 -11.852 -26.198 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -22.362 -13.441 -26.608 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -22.323 -13.319 -28.370 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -19.193 -11.700 -28.462 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -20.537 -12.338 -29.415 1.00 0.00 H new ATOM 314 N ILE A 17 -20.737 -7.640 -23.946 1.00 0.00 N ATOM 315 CA ILE A 17 -21.339 -6.328 -23.741 1.00 0.00 C ATOM 316 C ILE A 17 -22.201 -6.310 -22.483 1.00 0.00 C ATOM 317 O ILE A 17 -22.455 -5.252 -21.906 1.00 0.00 O ATOM 318 CB ILE A 17 -22.201 -5.910 -24.947 1.00 0.00 C ATOM 319 CG1 ILE A 17 -21.457 -6.188 -26.254 1.00 0.00 C ATOM 320 CG2 ILE A 17 -22.574 -4.438 -24.846 1.00 0.00 C ATOM 321 CD1 ILE A 17 -21.920 -5.326 -27.408 1.00 0.00 C ATOM 0 H ILE A 17 -20.967 -8.075 -24.840 1.00 0.00 H new ATOM 0 HA ILE A 17 -20.520 -5.618 -23.627 1.00 0.00 H new ATOM 0 HB ILE A 17 -23.118 -6.499 -24.941 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -20.390 -6.028 -26.097 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -21.586 -7.237 -26.520 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -23.183 -4.157 -25.705 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -23.139 -4.268 -23.930 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -21.667 -3.833 -24.831 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -21.349 -5.577 -28.302 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -22.980 -5.503 -27.592 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -21.765 -4.275 -27.162 1.00 0.00 H new ATOM 333 N LYS A 18 -22.649 -7.488 -22.062 1.00 0.00 N ATOM 334 CA LYS A 18 -23.480 -7.610 -20.871 1.00 0.00 C ATOM 335 C LYS A 18 -22.891 -6.812 -19.712 1.00 0.00 C ATOM 336 O LYS A 18 -23.582 -6.011 -19.084 1.00 0.00 O ATOM 337 CB LYS A 18 -23.623 -9.080 -20.471 1.00 0.00 C ATOM 338 CG LYS A 18 -25.065 -9.547 -20.374 1.00 0.00 C ATOM 339 CD LYS A 18 -25.792 -9.393 -21.700 1.00 0.00 C ATOM 340 CE LYS A 18 -26.923 -8.381 -21.602 1.00 0.00 C ATOM 341 NZ LYS A 18 -27.782 -8.389 -22.818 1.00 0.00 N ATOM 0 H LYS A 18 -22.450 -8.373 -22.529 1.00 0.00 H new ATOM 0 HA LYS A 18 -24.465 -7.206 -21.104 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -23.098 -9.699 -21.199 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -23.134 -9.235 -19.509 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -25.090 -10.592 -20.064 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -25.583 -8.974 -19.605 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -25.086 -9.078 -22.469 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -26.192 -10.358 -22.011 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -27.532 -8.601 -20.726 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -26.507 -7.384 -21.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -28.541 -7.686 -22.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -27.206 -8.154 -23.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -28.200 -9.333 -22.941 1.00 0.00 H new ATOM 355 N GLU A 19 -21.610 -7.037 -19.436 1.00 0.00 N ATOM 356 CA GLU A 19 -20.928 -6.338 -18.352 1.00 0.00 C ATOM 357 C GLU A 19 -20.912 -4.832 -18.602 1.00 0.00 C ATOM 358 O GLU A 19 -21.288 -4.044 -17.733 1.00 0.00 O ATOM 359 CB GLU A 19 -19.497 -6.856 -18.202 1.00 0.00 C ATOM 360 CG GLU A 19 -19.374 -8.040 -17.258 1.00 0.00 C ATOM 361 CD GLU A 19 -20.324 -9.168 -17.611 1.00 0.00 C ATOM 362 OE1 GLU A 19 -20.470 -9.468 -18.814 1.00 0.00 O ATOM 363 OE2 GLU A 19 -20.922 -9.752 -16.683 1.00 0.00 O ATOM 0 H GLU A 19 -21.024 -7.697 -19.947 1.00 0.00 H new ATOM 0 HA GLU A 19 -21.475 -6.531 -17.429 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -19.119 -7.144 -19.183 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -18.863 -6.047 -17.841 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -18.350 -8.412 -17.280 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -19.572 -7.709 -16.238 1.00 0.00 H new ATOM 370 N LEU A 20 -20.475 -4.441 -19.793 1.00 0.00 N ATOM 371 CA LEU A 20 -20.409 -3.030 -20.158 1.00 0.00 C ATOM 372 C LEU A 20 -21.786 -2.380 -20.073 1.00 0.00 C ATOM 373 O LEU A 20 -21.907 -1.193 -19.769 1.00 0.00 O ATOM 374 CB LEU A 20 -19.846 -2.874 -21.572 1.00 0.00 C ATOM 375 CG LEU A 20 -18.362 -3.201 -21.743 1.00 0.00 C ATOM 376 CD1 LEU A 20 -18.152 -4.705 -21.816 1.00 0.00 C ATOM 377 CD2 LEU A 20 -17.807 -2.522 -22.987 1.00 0.00 C ATOM 0 H LEU A 20 -20.161 -5.081 -20.523 1.00 0.00 H new ATOM 0 HA LEU A 20 -19.747 -2.529 -19.452 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -20.418 -3.515 -22.242 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -20.011 -1.846 -21.896 1.00 0.00 H new ATOM 0 HG LEU A 20 -17.823 -2.822 -20.875 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -17.090 -4.919 -21.938 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -18.512 -5.168 -20.897 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -18.703 -5.108 -22.666 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -16.750 -2.765 -23.093 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -18.350 -2.871 -23.865 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -17.923 -1.442 -22.895 1.00 0.00 H new ATOM 389 N LYS A 21 -22.823 -3.167 -20.341 1.00 0.00 N ATOM 390 CA LYS A 21 -24.193 -2.670 -20.291 1.00 0.00 C ATOM 391 C LYS A 21 -24.592 -2.315 -18.862 1.00 0.00 C ATOM 392 O LYS A 21 -25.079 -1.215 -18.599 1.00 0.00 O ATOM 393 CB LYS A 21 -25.157 -3.716 -20.856 1.00 0.00 C ATOM 394 CG LYS A 21 -26.295 -3.120 -21.667 1.00 0.00 C ATOM 395 CD LYS A 21 -27.524 -2.875 -20.807 1.00 0.00 C ATOM 396 CE LYS A 21 -28.310 -1.666 -21.290 1.00 0.00 C ATOM 397 NZ LYS A 21 -29.709 -2.024 -21.655 1.00 0.00 N ATOM 0 H LYS A 21 -22.741 -4.151 -20.595 1.00 0.00 H new ATOM 0 HA LYS A 21 -24.248 -1.767 -20.899 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -24.599 -4.410 -21.484 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -25.574 -4.296 -20.033 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -25.971 -2.181 -22.115 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -26.551 -3.793 -22.486 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -28.164 -3.757 -20.825 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -27.220 -2.723 -19.771 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -28.322 -0.905 -20.510 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -27.810 -1.229 -22.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -30.212 -1.173 -21.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -29.699 -2.732 -22.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -30.195 -2.417 -20.824 1.00 0.00 H new ATOM 411 N ASP A 22 -24.381 -3.251 -17.944 1.00 0.00 N ATOM 412 CA ASP A 22 -24.716 -3.036 -16.541 1.00 0.00 C ATOM 413 C ASP A 22 -23.958 -1.837 -15.980 1.00 0.00 C ATOM 414 O ASP A 22 -24.518 -1.027 -15.240 1.00 0.00 O ATOM 415 CB ASP A 22 -24.398 -4.287 -15.721 1.00 0.00 C ATOM 416 CG ASP A 22 -25.327 -4.453 -14.535 1.00 0.00 C ATOM 417 OD1 ASP A 22 -26.483 -3.989 -14.618 1.00 0.00 O ATOM 418 OD2 ASP A 22 -24.898 -5.047 -13.523 1.00 0.00 O ATOM 0 H ASP A 22 -23.979 -4.167 -18.146 1.00 0.00 H new ATOM 0 HA ASP A 22 -25.784 -2.831 -16.475 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -24.471 -5.166 -16.362 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -23.368 -4.234 -15.368 1.00 0.00 H new ATOM 423 N ILE A 23 -22.682 -1.732 -16.334 1.00 0.00 N ATOM 424 CA ILE A 23 -21.847 -0.633 -15.865 1.00 0.00 C ATOM 425 C ILE A 23 -22.359 0.706 -16.385 1.00 0.00 C ATOM 426 O ILE A 23 -22.688 1.603 -15.607 1.00 0.00 O ATOM 427 CB ILE A 23 -20.381 -0.813 -16.301 1.00 0.00 C ATOM 428 CG1 ILE A 23 -19.799 -2.090 -15.692 1.00 0.00 C ATOM 429 CG2 ILE A 23 -19.555 0.398 -15.895 1.00 0.00 C ATOM 430 CD1 ILE A 23 -18.423 -2.436 -16.216 1.00 0.00 C ATOM 0 H ILE A 23 -22.203 -2.395 -16.944 1.00 0.00 H new ATOM 0 HA ILE A 23 -21.897 -0.641 -14.776 1.00 0.00 H new ATOM 0 HB ILE A 23 -20.348 -0.903 -17.387 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -19.749 -1.976 -14.609 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -20.475 -2.920 -15.894 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -18.521 0.256 -16.210 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -19.960 1.291 -16.371 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -19.591 0.517 -14.812 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -18.073 -3.352 -15.741 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -18.471 -2.582 -17.295 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -17.733 -1.623 -15.990 1.00 0.00 H new ATOM 442 N LEU A 24 -22.425 0.836 -17.706 1.00 0.00 N ATOM 443 CA LEU A 24 -22.900 2.065 -18.331 1.00 0.00 C ATOM 444 C LEU A 24 -24.342 2.359 -17.930 1.00 0.00 C ATOM 445 O LEU A 24 -24.768 3.513 -17.912 1.00 0.00 O ATOM 446 CB LEU A 24 -22.793 1.961 -19.853 1.00 0.00 C ATOM 447 CG LEU A 24 -24.098 2.131 -20.631 1.00 0.00 C ATOM 448 CD1 LEU A 24 -23.815 2.553 -22.064 1.00 0.00 C ATOM 449 CD2 LEU A 24 -24.908 0.842 -20.603 1.00 0.00 C ATOM 0 H LEU A 24 -22.155 0.105 -18.364 1.00 0.00 H new ATOM 0 HA LEU A 24 -22.272 2.885 -17.984 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -22.086 2.715 -20.200 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -22.369 0.988 -20.102 1.00 0.00 H new ATOM 0 HG LEU A 24 -24.684 2.916 -20.152 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -24.756 2.669 -22.602 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -23.278 3.501 -22.065 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -23.208 1.792 -22.554 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -25.833 0.982 -21.162 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -24.328 0.038 -21.056 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -25.143 0.582 -19.571 1.00 0.00 H new ATOM 461 N ASN A 25 -25.087 1.307 -17.607 1.00 0.00 N ATOM 462 CA ASN A 25 -26.481 1.453 -17.204 1.00 0.00 C ATOM 463 C ASN A 25 -26.587 2.164 -15.859 1.00 0.00 C ATOM 464 O ASN A 25 -27.383 3.089 -15.696 1.00 0.00 O ATOM 465 CB ASN A 25 -27.156 0.082 -17.124 1.00 0.00 C ATOM 466 CG ASN A 25 -28.227 0.027 -16.051 1.00 0.00 C ATOM 467 OD1 ASN A 25 -27.839 -0.381 -14.848 1.00 0.00 O flip ATOM 468 ND2 ASN A 25 -29.389 0.348 -16.302 1.00 0.00 N flip ATOM 0 H ASN A 25 -24.749 0.345 -17.616 1.00 0.00 H new ATOM 0 HA ASN A 25 -26.989 2.058 -17.955 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -27.600 -0.158 -18.090 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -26.403 -0.680 -16.921 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -29.642 0.656 -17.241 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -30.099 0.306 -15.571 1.00 0.00 H new ATOM 475 N GLN A 26 -25.779 1.727 -14.899 1.00 0.00 N ATOM 476 CA GLN A 26 -25.782 2.322 -13.568 1.00 0.00 C ATOM 477 C GLN A 26 -25.197 3.729 -13.599 1.00 0.00 C ATOM 478 O GLN A 26 -25.631 4.611 -12.857 1.00 0.00 O ATOM 479 CB GLN A 26 -24.990 1.449 -12.593 1.00 0.00 C ATOM 480 CG GLN A 26 -25.752 0.222 -12.117 1.00 0.00 C ATOM 481 CD GLN A 26 -24.863 -0.775 -11.400 1.00 0.00 C ATOM 482 OE1 GLN A 26 -23.751 -1.137 -12.029 1.00 0.00 O flip ATOM 483 NE2 GLN A 26 -25.173 -1.216 -10.293 1.00 0.00 N flip ATOM 0 H GLN A 26 -25.114 0.963 -15.018 1.00 0.00 H new ATOM 0 HA GLN A 26 -26.816 2.386 -13.229 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -24.066 1.128 -13.074 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -24.708 2.049 -11.728 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -26.554 0.534 -11.449 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -26.221 -0.264 -12.972 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -26.037 -0.910 -9.846 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -24.565 -1.887 -9.823 1.00 0.00 H new ATOM 492 N LEU A 27 -24.208 3.934 -14.463 1.00 0.00 N ATOM 493 CA LEU A 27 -23.562 5.236 -14.591 1.00 0.00 C ATOM 494 C LEU A 27 -24.525 6.267 -15.169 1.00 0.00 C ATOM 495 O LEU A 27 -24.393 7.464 -14.917 1.00 0.00 O ATOM 496 CB LEU A 27 -22.321 5.125 -15.480 1.00 0.00 C ATOM 497 CG LEU A 27 -21.096 4.468 -14.844 1.00 0.00 C ATOM 498 CD1 LEU A 27 -20.349 3.627 -15.867 1.00 0.00 C ATOM 499 CD2 LEU A 27 -20.177 5.522 -14.243 1.00 0.00 C ATOM 0 H LEU A 27 -23.836 3.216 -15.085 1.00 0.00 H new ATOM 0 HA LEU A 27 -23.261 5.565 -13.596 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -22.588 4.561 -16.373 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -22.042 6.127 -15.807 1.00 0.00 H new ATOM 0 HG LEU A 27 -21.435 3.811 -14.043 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -19.480 3.167 -15.396 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -21.009 2.848 -16.249 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -20.022 4.262 -16.690 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -19.310 5.036 -13.795 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -19.846 6.205 -15.025 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -20.716 6.081 -13.478 1.00 0.00 H new ATOM 619 N LYS A 35 -19.189 -1.393 -28.683 1.00 0.00 N ATOM 620 CA LYS A 35 -18.204 -1.995 -27.792 1.00 0.00 C ATOM 621 C LYS A 35 -17.078 -1.013 -27.484 1.00 0.00 C ATOM 622 O LYS A 35 -16.572 -0.968 -26.363 1.00 0.00 O ATOM 623 CB LYS A 35 -17.629 -3.267 -28.418 1.00 0.00 C ATOM 624 CG LYS A 35 -18.174 -4.546 -27.805 1.00 0.00 C ATOM 625 CD LYS A 35 -17.767 -4.683 -26.347 1.00 0.00 C ATOM 626 CE LYS A 35 -16.401 -5.337 -26.208 1.00 0.00 C ATOM 627 NZ LYS A 35 -16.396 -6.729 -26.736 1.00 0.00 N ATOM 0 HA LYS A 35 -18.704 -2.252 -26.858 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -17.844 -3.266 -29.487 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -16.544 -3.256 -28.311 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -19.261 -4.553 -27.882 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -17.809 -5.405 -28.368 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -17.749 -3.699 -25.879 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -18.511 -5.276 -25.815 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -15.658 -4.744 -26.741 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -16.108 -5.346 -25.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -15.642 -7.274 -26.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -17.315 -7.176 -26.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -16.227 -6.711 -27.762 1.00 0.00 H new ATOM 641 N GLN A 36 -16.693 -0.229 -28.485 1.00 0.00 N ATOM 642 CA GLN A 36 -15.627 0.753 -28.320 1.00 0.00 C ATOM 643 C GLN A 36 -16.092 1.921 -27.457 1.00 0.00 C ATOM 644 O GLN A 36 -15.402 2.328 -26.522 1.00 0.00 O ATOM 645 CB GLN A 36 -15.160 1.264 -29.684 1.00 0.00 C ATOM 646 CG GLN A 36 -14.056 0.423 -30.304 1.00 0.00 C ATOM 647 CD GLN A 36 -12.732 0.574 -29.581 1.00 0.00 C ATOM 648 OE1 GLN A 36 -12.547 -0.197 -28.516 1.00 0.00 O flip ATOM 649 NE2 GLN A 36 -11.884 1.375 -29.976 1.00 0.00 N flip ATOM 0 H GLN A 36 -17.103 -0.254 -29.419 1.00 0.00 H new ATOM 0 HA GLN A 36 -14.792 0.265 -27.818 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -16.011 1.289 -30.364 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -14.807 2.290 -29.577 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -14.354 -0.625 -30.294 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -13.930 0.708 -31.348 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -12.068 1.948 -30.799 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -10.997 1.465 -29.480 1.00 0.00 H new ATOM 658 N ASP A 37 -17.265 2.456 -27.777 1.00 0.00 N ATOM 659 CA ASP A 37 -17.822 3.578 -27.030 1.00 0.00 C ATOM 660 C ASP A 37 -17.909 3.252 -25.543 1.00 0.00 C ATOM 661 O ASP A 37 -17.481 4.039 -24.698 1.00 0.00 O ATOM 662 CB ASP A 37 -19.209 3.937 -27.568 1.00 0.00 C ATOM 663 CG ASP A 37 -19.239 5.303 -28.225 1.00 0.00 C ATOM 664 OD1 ASP A 37 -18.702 6.260 -27.629 1.00 0.00 O ATOM 665 OD2 ASP A 37 -19.800 5.415 -29.335 1.00 0.00 O ATOM 0 H ASP A 37 -17.848 2.131 -28.548 1.00 0.00 H new ATOM 0 HA ASP A 37 -17.158 4.433 -27.157 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -19.522 3.183 -28.290 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -19.930 3.914 -26.751 1.00 0.00 H new ATOM 670 N LEU A 38 -18.465 2.087 -25.229 1.00 0.00 N ATOM 671 CA LEU A 38 -18.609 1.656 -23.843 1.00 0.00 C ATOM 672 C LEU A 38 -17.245 1.481 -23.183 1.00 0.00 C ATOM 673 O LEU A 38 -16.957 2.098 -22.157 1.00 0.00 O ATOM 674 CB LEU A 38 -19.393 0.344 -23.775 1.00 0.00 C ATOM 675 CG LEU A 38 -20.701 0.302 -24.567 1.00 0.00 C ATOM 676 CD1 LEU A 38 -20.895 -1.065 -25.203 1.00 0.00 C ATOM 677 CD2 LEU A 38 -21.880 0.647 -23.669 1.00 0.00 C ATOM 0 H LEU A 38 -18.824 1.424 -25.916 1.00 0.00 H new ATOM 0 HA LEU A 38 -19.157 2.428 -23.303 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -18.749 -0.460 -24.132 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -19.617 0.132 -22.730 1.00 0.00 H new ATOM 0 HG LEU A 38 -20.646 1.046 -25.362 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -21.830 -1.077 -25.762 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -20.065 -1.273 -25.879 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -20.928 -1.827 -24.424 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -22.802 0.612 -24.249 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -21.938 -0.072 -22.852 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -21.746 1.649 -23.261 1.00 0.00 H new ATOM 689 N ILE A 39 -16.408 0.638 -23.780 1.00 0.00 N ATOM 690 CA ILE A 39 -15.074 0.385 -23.251 1.00 0.00 C ATOM 691 C ILE A 39 -14.325 1.690 -23.001 1.00 0.00 C ATOM 692 O ILE A 39 -13.782 1.908 -21.918 1.00 0.00 O ATOM 693 CB ILE A 39 -14.246 -0.493 -24.209 1.00 0.00 C ATOM 694 CG1 ILE A 39 -14.465 -1.974 -23.894 1.00 0.00 C ATOM 695 CG2 ILE A 39 -12.771 -0.137 -24.112 1.00 0.00 C ATOM 696 CD1 ILE A 39 -14.728 -2.820 -25.120 1.00 0.00 C ATOM 0 H ILE A 39 -16.631 0.119 -24.630 1.00 0.00 H new ATOM 0 HA ILE A 39 -15.204 -0.144 -22.307 1.00 0.00 H new ATOM 0 HB ILE A 39 -14.578 -0.305 -25.230 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -13.587 -2.361 -23.377 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -15.307 -2.071 -23.208 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -12.199 -0.766 -24.795 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -12.631 0.910 -24.380 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -12.424 -0.300 -23.092 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -14.874 -3.858 -24.821 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -15.623 -2.459 -25.626 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -13.877 -2.754 -25.797 1.00 0.00 H new ATOM 708 N ASP A 40 -14.302 2.555 -24.010 1.00 0.00 N ATOM 709 CA ASP A 40 -13.622 3.840 -23.899 1.00 0.00 C ATOM 710 C ASP A 40 -14.244 4.690 -22.795 1.00 0.00 C ATOM 711 O ASP A 40 -13.558 5.478 -22.144 1.00 0.00 O ATOM 712 CB ASP A 40 -13.682 4.589 -25.231 1.00 0.00 C ATOM 713 CG ASP A 40 -12.461 5.458 -25.461 1.00 0.00 C ATOM 714 OD1 ASP A 40 -11.405 4.910 -25.839 1.00 0.00 O ATOM 715 OD2 ASP A 40 -12.562 6.688 -25.263 1.00 0.00 O ATOM 0 H ASP A 40 -14.746 2.389 -24.913 1.00 0.00 H new ATOM 0 HA ASP A 40 -12.579 3.651 -23.644 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -13.771 3.870 -26.045 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -14.577 5.211 -25.255 1.00 0.00 H new ATOM 720 N ARG A 41 -15.547 4.525 -22.591 1.00 0.00 N ATOM 721 CA ARG A 41 -16.261 5.279 -21.568 1.00 0.00 C ATOM 722 C ARG A 41 -15.794 4.877 -20.171 1.00 0.00 C ATOM 723 O ARG A 41 -15.477 5.730 -19.342 1.00 0.00 O ATOM 724 CB ARG A 41 -17.769 5.053 -21.697 1.00 0.00 C ATOM 725 CG ARG A 41 -18.502 6.208 -22.360 1.00 0.00 C ATOM 726 CD ARG A 41 -18.859 7.291 -21.354 1.00 0.00 C ATOM 727 NE ARG A 41 -17.877 8.372 -21.342 1.00 0.00 N ATOM 728 CZ ARG A 41 -18.055 9.521 -20.699 1.00 0.00 C ATOM 729 NH1 ARG A 41 -19.172 9.736 -20.018 1.00 0.00 N ATOM 730 NH2 ARG A 41 -17.115 10.456 -20.735 1.00 0.00 N ATOM 0 H ARG A 41 -16.129 3.876 -23.120 1.00 0.00 H new ATOM 0 HA ARG A 41 -16.045 6.337 -21.715 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -17.944 4.144 -22.273 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -18.190 4.888 -20.705 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -17.879 6.632 -23.147 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -19.410 5.839 -22.837 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -19.842 7.697 -21.592 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -18.928 6.853 -20.358 1.00 0.00 H new ATOM 0 HE ARG A 41 -17.006 8.237 -21.856 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -19.897 9.019 -19.987 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -19.307 10.619 -19.525 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -16.254 10.294 -21.257 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -17.253 11.338 -20.241 1.00 0.00 H new ATOM 744 N VAL A 42 -15.756 3.573 -19.918 1.00 0.00 N ATOM 745 CA VAL A 42 -15.328 3.058 -18.623 1.00 0.00 C ATOM 746 C VAL A 42 -13.914 3.519 -18.288 1.00 0.00 C ATOM 747 O VAL A 42 -13.681 4.141 -17.251 1.00 0.00 O ATOM 748 CB VAL A 42 -15.377 1.519 -18.587 1.00 0.00 C ATOM 749 CG1 VAL A 42 -14.629 0.989 -17.373 1.00 0.00 C ATOM 750 CG2 VAL A 42 -16.818 1.031 -18.591 1.00 0.00 C ATOM 0 H VAL A 42 -16.016 2.854 -20.593 1.00 0.00 H new ATOM 0 HA VAL A 42 -16.021 3.453 -17.880 1.00 0.00 H new ATOM 0 HB VAL A 42 -14.886 1.136 -19.482 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -14.674 -0.100 -17.364 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -13.588 1.308 -17.419 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -15.088 1.378 -16.464 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -16.833 -0.059 -18.565 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -17.337 1.422 -17.716 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -17.318 1.380 -19.495 1.00 0.00 H new ATOM 760 N LEU A 43 -12.972 3.210 -19.173 1.00 0.00 N ATOM 761 CA LEU A 43 -11.579 3.593 -18.973 1.00 0.00 C ATOM 762 C LEU A 43 -11.443 5.107 -18.845 1.00 0.00 C ATOM 763 O LEU A 43 -10.609 5.603 -18.089 1.00 0.00 O ATOM 764 CB LEU A 43 -10.719 3.089 -20.133 1.00 0.00 C ATOM 765 CG LEU A 43 -10.938 1.633 -20.548 1.00 0.00 C ATOM 766 CD1 LEU A 43 -9.767 1.134 -21.380 1.00 0.00 C ATOM 767 CD2 LEU A 43 -11.137 0.754 -19.322 1.00 0.00 C ATOM 0 H LEU A 43 -13.148 2.695 -20.036 1.00 0.00 H new ATOM 0 HA LEU A 43 -11.232 3.136 -18.046 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -10.904 3.724 -20.999 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -9.670 3.215 -19.863 1.00 0.00 H new ATOM 0 HG LEU A 43 -11.839 1.580 -21.158 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -9.940 0.097 -21.666 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -9.670 1.747 -22.276 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -8.850 1.201 -20.794 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -11.291 -0.278 -19.636 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -10.254 0.812 -18.686 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -12.008 1.098 -18.765 1.00 0.00 H new ATOM 779 N ALA A 44 -12.271 5.835 -19.587 1.00 0.00 N ATOM 780 CA ALA A 44 -12.247 7.292 -19.553 1.00 0.00 C ATOM 781 C ALA A 44 -12.694 7.817 -18.194 1.00 0.00 C ATOM 782 O ALA A 44 -12.271 8.890 -17.761 1.00 0.00 O ATOM 783 CB ALA A 44 -13.127 7.860 -20.657 1.00 0.00 C ATOM 0 H ALA A 44 -12.967 5.439 -20.219 1.00 0.00 H new ATOM 0 HA ALA A 44 -11.220 7.618 -19.718 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -13.100 8.949 -20.620 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -12.760 7.521 -21.626 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -14.152 7.518 -20.517 1.00 0.00 H new ATOM 789 N LEU A 45 -13.552 7.056 -17.524 1.00 0.00 N ATOM 790 CA LEU A 45 -14.058 7.445 -16.212 1.00 0.00 C ATOM 791 C LEU A 45 -13.021 7.176 -15.127 1.00 0.00 C ATOM 792 O LEU A 45 -12.791 8.013 -14.252 1.00 0.00 O ATOM 793 CB LEU A 45 -15.350 6.689 -15.897 1.00 0.00 C ATOM 794 CG LEU A 45 -15.373 5.921 -14.575 1.00 0.00 C ATOM 795 CD1 LEU A 45 -15.535 6.878 -13.404 1.00 0.00 C ATOM 796 CD2 LEU A 45 -16.489 4.886 -14.578 1.00 0.00 C ATOM 0 H LEU A 45 -13.912 6.166 -17.868 1.00 0.00 H new ATOM 0 HA LEU A 45 -14.266 8.515 -16.233 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -16.174 7.403 -15.894 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -15.542 5.985 -16.707 1.00 0.00 H new ATOM 0 HG LEU A 45 -14.422 5.400 -14.464 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -15.549 6.313 -12.472 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -14.702 7.580 -13.390 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -16.471 7.427 -13.510 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -16.490 4.349 -13.629 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -17.448 5.386 -14.713 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -16.329 4.181 -15.394 1.00 0.00 H new ATOM 808 N LEU A 46 -12.396 6.006 -15.189 1.00 0.00 N ATOM 809 CA LEU A 46 -11.380 5.627 -14.213 1.00 0.00 C ATOM 810 C LEU A 46 -10.046 6.297 -14.528 1.00 0.00 C ATOM 811 O LEU A 46 -9.124 6.284 -13.711 1.00 0.00 O ATOM 812 CB LEU A 46 -11.209 4.108 -14.189 1.00 0.00 C ATOM 813 CG LEU A 46 -12.491 3.285 -14.318 1.00 0.00 C ATOM 814 CD1 LEU A 46 -12.164 1.813 -14.515 1.00 0.00 C ATOM 815 CD2 LEU A 46 -13.373 3.478 -13.093 1.00 0.00 C ATOM 0 H LEU A 46 -12.575 5.302 -15.905 1.00 0.00 H new ATOM 0 HA LEU A 46 -11.711 5.964 -13.231 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -10.537 3.826 -14.999 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -10.717 3.833 -13.256 1.00 0.00 H new ATOM 0 HG LEU A 46 -13.037 3.634 -15.194 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -13.089 1.244 -14.605 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -11.573 1.690 -15.422 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -11.595 1.449 -13.659 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -14.281 2.885 -13.201 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -12.834 3.156 -12.202 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -13.637 4.531 -12.997 1.00 0.00 H new ATOM 827 N THR A 47 -9.950 6.883 -15.717 1.00 0.00 N ATOM 828 CA THR A 47 -8.730 7.559 -16.140 1.00 0.00 C ATOM 829 C THR A 47 -8.911 9.073 -16.138 1.00 0.00 C ATOM 830 O THR A 47 -8.291 9.780 -15.344 1.00 0.00 O ATOM 831 CB THR A 47 -8.296 7.107 -17.547 1.00 0.00 C ATOM 832 OG1 THR A 47 -8.075 5.692 -17.561 1.00 0.00 O ATOM 833 CG2 THR A 47 -7.029 7.828 -17.980 1.00 0.00 C ATOM 0 H THR A 47 -10.703 6.903 -16.405 1.00 0.00 H new ATOM 0 HA THR A 47 -7.954 7.288 -15.424 1.00 0.00 H new ATOM 0 HB THR A 47 -9.094 7.356 -18.247 1.00 0.00 H new ATOM 0 HG1 THR A 47 -8.878 5.239 -17.892 1.00 0.00 H new ATOM 0 HG21 THR A 47 -6.742 7.492 -18.977 1.00 0.00 H new ATOM 0 HG22 THR A 47 -7.210 8.903 -17.997 1.00 0.00 H new ATOM 0 HG23 THR A 47 -6.226 7.606 -17.277 1.00 0.00 H new ATOM 841 N ASP A 48 -9.764 9.563 -17.030 1.00 0.00 N ATOM 842 CA ASP A 48 -10.028 10.994 -17.130 1.00 0.00 C ATOM 843 C ASP A 48 -10.835 11.482 -15.932 1.00 0.00 C ATOM 844 O ASP A 48 -10.968 12.686 -15.711 1.00 0.00 O ATOM 845 CB ASP A 48 -10.776 11.307 -18.427 1.00 0.00 C ATOM 846 CG ASP A 48 -9.927 12.085 -19.412 1.00 0.00 C ATOM 847 OD1 ASP A 48 -9.526 13.221 -19.083 1.00 0.00 O ATOM 848 OD2 ASP A 48 -9.662 11.558 -20.513 1.00 0.00 O ATOM 0 H ASP A 48 -10.285 8.991 -17.695 1.00 0.00 H new ATOM 0 HA ASP A 48 -9.071 11.516 -17.137 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -11.101 10.375 -18.889 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -11.675 11.879 -18.196 1.00 0.00 H new ATOM 853 N GLU A 49 -11.372 10.541 -15.162 1.00 0.00 N ATOM 854 CA GLU A 49 -12.167 10.877 -13.987 1.00 0.00 C ATOM 855 C GLU A 49 -11.697 10.089 -12.768 1.00 0.00 C ATOM 856 O GLU A 49 -12.454 9.883 -11.820 1.00 0.00 O ATOM 857 CB GLU A 49 -13.648 10.595 -14.249 1.00 0.00 C ATOM 858 CG GLU A 49 -14.496 11.851 -14.360 1.00 0.00 C ATOM 859 CD GLU A 49 -15.295 11.904 -15.648 1.00 0.00 C ATOM 860 OE1 GLU A 49 -16.155 11.022 -15.850 1.00 0.00 O ATOM 861 OE2 GLU A 49 -15.059 12.829 -16.453 1.00 0.00 O ATOM 0 H GLU A 49 -11.271 9.540 -15.331 1.00 0.00 H new ATOM 0 HA GLU A 49 -12.036 11.940 -13.784 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -13.742 10.020 -15.170 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -14.039 9.973 -13.444 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -15.178 11.900 -13.511 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -13.850 12.727 -14.301 1.00 0.00 H new ATOM 1076 N LEU A 63 -22.357 5.474 -10.242 1.00 0.00 N ATOM 1077 CA LEU A 63 -21.741 6.078 -11.418 1.00 0.00 C ATOM 1078 C LEU A 63 -20.272 6.397 -11.160 1.00 0.00 C ATOM 1079 O LEU A 63 -19.697 7.286 -11.790 1.00 0.00 O ATOM 1080 CB LEU A 63 -22.489 7.353 -11.812 1.00 0.00 C ATOM 1081 CG LEU A 63 -22.878 8.286 -10.665 1.00 0.00 C ATOM 1082 CD1 LEU A 63 -21.737 9.239 -10.343 1.00 0.00 C ATOM 1083 CD2 LEU A 63 -24.141 9.060 -11.011 1.00 0.00 C ATOM 0 HA LEU A 63 -21.800 5.361 -12.237 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -21.869 7.912 -12.513 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -23.396 7.068 -12.345 1.00 0.00 H new ATOM 0 HG LEU A 63 -23.079 7.680 -9.781 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -22.031 9.896 -9.524 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -20.857 8.667 -10.051 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -21.504 9.838 -11.223 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -24.402 9.719 -10.183 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -23.969 9.655 -11.908 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -24.958 8.361 -11.191 1.00 0.00 H new ATOM 1095 N THR A 64 -19.667 5.664 -10.230 1.00 0.00 N ATOM 1096 CA THR A 64 -18.265 5.867 -9.889 1.00 0.00 C ATOM 1097 C THR A 64 -17.513 4.542 -9.839 1.00 0.00 C ATOM 1098 O THR A 64 -18.078 3.485 -10.119 1.00 0.00 O ATOM 1099 CB THR A 64 -18.114 6.582 -8.532 1.00 0.00 C ATOM 1100 OG1 THR A 64 -19.394 6.715 -7.905 1.00 0.00 O ATOM 1101 CG2 THR A 64 -17.486 7.955 -8.711 1.00 0.00 C ATOM 0 H THR A 64 -20.127 4.924 -9.700 1.00 0.00 H new ATOM 0 HA THR A 64 -17.838 6.494 -10.671 1.00 0.00 H new ATOM 0 HB THR A 64 -17.460 5.981 -7.900 1.00 0.00 H new ATOM 0 HG1 THR A 64 -19.290 7.169 -7.043 1.00 0.00 H new ATOM 0 HG21 THR A 64 -17.390 8.440 -7.740 1.00 0.00 H new ATOM 0 HG22 THR A 64 -16.500 7.848 -9.163 1.00 0.00 H new ATOM 0 HG23 THR A 64 -18.118 8.562 -9.359 1.00 0.00 H new ATOM 1109 N LYS A 65 -16.236 4.605 -9.479 1.00 0.00 N ATOM 1110 CA LYS A 65 -15.406 3.409 -9.390 1.00 0.00 C ATOM 1111 C LYS A 65 -16.108 2.318 -8.588 1.00 0.00 C ATOM 1112 O LYS A 65 -15.884 1.129 -8.813 1.00 0.00 O ATOM 1113 CB LYS A 65 -14.060 3.745 -8.743 1.00 0.00 C ATOM 1114 CG LYS A 65 -13.141 4.557 -9.639 1.00 0.00 C ATOM 1115 CD LYS A 65 -12.261 5.496 -8.831 1.00 0.00 C ATOM 1116 CE LYS A 65 -12.683 6.946 -9.008 1.00 0.00 C ATOM 1117 NZ LYS A 65 -12.563 7.389 -10.425 1.00 0.00 N ATOM 0 H LYS A 65 -15.753 5.472 -9.244 1.00 0.00 H new ATOM 0 HA LYS A 65 -15.235 3.040 -10.401 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -14.238 4.299 -7.821 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -13.558 2.818 -8.466 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -12.515 3.884 -10.225 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -13.737 5.134 -10.346 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -12.313 5.227 -7.776 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -11.222 5.378 -9.139 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -13.714 7.068 -8.675 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -12.066 7.584 -8.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -12.457 8.423 -10.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -11.731 6.942 -10.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -13.418 7.112 -10.949 1.00 0.00 H new ATOM 1131 N GLU A 66 -16.960 2.731 -7.654 1.00 0.00 N ATOM 1132 CA GLU A 66 -17.695 1.787 -6.821 1.00 0.00 C ATOM 1133 C GLU A 66 -18.588 0.890 -7.673 1.00 0.00 C ATOM 1134 O GLU A 66 -18.549 -0.334 -7.556 1.00 0.00 O ATOM 1135 CB GLU A 66 -18.541 2.535 -5.789 1.00 0.00 C ATOM 1136 CG GLU A 66 -17.749 3.534 -4.961 1.00 0.00 C ATOM 1137 CD GLU A 66 -18.639 4.506 -4.212 1.00 0.00 C ATOM 1138 OE1 GLU A 66 -19.757 4.782 -4.696 1.00 0.00 O ATOM 1139 OE2 GLU A 66 -18.217 4.992 -3.142 1.00 0.00 O ATOM 0 H GLU A 66 -17.158 3.712 -7.456 1.00 0.00 H new ATOM 0 HA GLU A 66 -16.971 1.160 -6.301 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -19.346 3.060 -6.303 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -19.008 1.811 -5.121 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -17.125 2.995 -4.248 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -17.078 4.091 -5.615 1.00 0.00 H new ATOM 1146 N ALA A 67 -19.394 1.509 -8.530 1.00 0.00 N ATOM 1147 CA ALA A 67 -20.296 0.769 -9.403 1.00 0.00 C ATOM 1148 C ALA A 67 -19.518 -0.090 -10.394 1.00 0.00 C ATOM 1149 O ALA A 67 -19.778 -1.285 -10.534 1.00 0.00 O ATOM 1150 CB ALA A 67 -21.220 1.726 -10.141 1.00 0.00 C ATOM 0 H ALA A 67 -19.440 2.522 -8.638 1.00 0.00 H new ATOM 0 HA ALA A 67 -20.899 0.106 -8.783 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -21.888 1.159 -10.789 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -21.809 2.292 -9.419 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -20.626 2.413 -10.744 1.00 0.00 H new ATOM 1156 N VAL A 68 -18.563 0.527 -11.082 1.00 0.00 N ATOM 1157 CA VAL A 68 -17.747 -0.181 -12.062 1.00 0.00 C ATOM 1158 C VAL A 68 -17.021 -1.360 -11.423 1.00 0.00 C ATOM 1159 O VAL A 68 -17.025 -2.468 -11.958 1.00 0.00 O ATOM 1160 CB VAL A 68 -16.710 0.755 -12.710 1.00 0.00 C ATOM 1161 CG1 VAL A 68 -15.815 -0.019 -13.666 1.00 0.00 C ATOM 1162 CG2 VAL A 68 -17.404 1.902 -13.429 1.00 0.00 C ATOM 0 H VAL A 68 -18.335 1.516 -10.979 1.00 0.00 H new ATOM 0 HA VAL A 68 -18.425 -0.549 -12.832 1.00 0.00 H new ATOM 0 HB VAL A 68 -16.084 1.175 -11.923 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -15.089 0.659 -14.114 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -15.290 -0.803 -13.119 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -16.424 -0.469 -14.450 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -16.656 2.554 -13.881 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -18.055 1.503 -14.207 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -17.998 2.472 -12.715 1.00 0.00 H new ATOM 1172 N ALA A 69 -16.399 -1.113 -10.274 1.00 0.00 N ATOM 1173 CA ALA A 69 -15.671 -2.155 -9.560 1.00 0.00 C ATOM 1174 C ALA A 69 -16.629 -3.156 -8.923 1.00 0.00 C ATOM 1175 O ALA A 69 -16.257 -4.295 -8.643 1.00 0.00 O ATOM 1176 CB ALA A 69 -14.769 -1.537 -8.502 1.00 0.00 C ATOM 0 H ALA A 69 -16.385 -0.201 -9.818 1.00 0.00 H new ATOM 0 HA ALA A 69 -15.053 -2.692 -10.280 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -14.231 -2.326 -7.976 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -14.054 -0.867 -8.980 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -15.374 -0.975 -7.791 1.00 0.00 H new ATOM 1182 N LYS A 70 -17.865 -2.723 -8.697 1.00 0.00 N ATOM 1183 CA LYS A 70 -18.878 -3.581 -8.093 1.00 0.00 C ATOM 1184 C LYS A 70 -19.244 -4.730 -9.026 1.00 0.00 C ATOM 1185 O LYS A 70 -19.276 -5.890 -8.615 1.00 0.00 O ATOM 1186 CB LYS A 70 -20.129 -2.767 -7.754 1.00 0.00 C ATOM 1187 CG LYS A 70 -21.308 -3.618 -7.315 1.00 0.00 C ATOM 1188 CD LYS A 70 -22.438 -2.765 -6.766 1.00 0.00 C ATOM 1189 CE LYS A 70 -23.775 -3.146 -7.382 1.00 0.00 C ATOM 1190 NZ LYS A 70 -24.869 -2.236 -6.943 1.00 0.00 N ATOM 0 H LYS A 70 -18.189 -1.783 -8.923 1.00 0.00 H new ATOM 0 HA LYS A 70 -18.464 -3.999 -7.175 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -19.888 -2.059 -6.961 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -20.419 -2.182 -8.627 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -21.670 -4.203 -8.160 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -20.983 -4.326 -6.553 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -22.489 -2.880 -5.683 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -22.231 -1.713 -6.965 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -23.695 -3.119 -8.469 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -24.023 -4.171 -7.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -25.763 -2.530 -7.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -24.963 -2.280 -5.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -24.645 -1.261 -7.229 1.00 0.00 H new ATOM 1204 N ILE A 71 -19.518 -4.401 -10.284 1.00 0.00 N ATOM 1205 CA ILE A 71 -19.878 -5.407 -11.276 1.00 0.00 C ATOM 1206 C ILE A 71 -18.654 -6.193 -11.732 1.00 0.00 C ATOM 1207 O ILE A 71 -18.718 -7.407 -11.922 1.00 0.00 O ATOM 1208 CB ILE A 71 -20.553 -4.769 -12.505 1.00 0.00 C ATOM 1209 CG1 ILE A 71 -21.543 -3.688 -12.067 1.00 0.00 C ATOM 1210 CG2 ILE A 71 -21.255 -5.833 -13.335 1.00 0.00 C ATOM 1211 CD1 ILE A 71 -22.608 -4.192 -11.118 1.00 0.00 C ATOM 0 H ILE A 71 -19.498 -3.446 -10.640 1.00 0.00 H new ATOM 0 HA ILE A 71 -20.583 -6.085 -10.796 1.00 0.00 H new ATOM 0 HB ILE A 71 -19.785 -4.303 -13.122 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -20.994 -2.877 -11.587 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -22.024 -3.268 -12.950 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -21.727 -5.367 -14.200 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -20.527 -6.570 -13.673 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -22.015 -6.325 -12.728 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -23.274 -3.372 -10.850 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -23.182 -4.982 -11.602 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -22.136 -4.585 -10.218 1.00 0.00 H new ATOM 1223 N VAL A 72 -17.538 -5.491 -11.906 1.00 0.00 N ATOM 1224 CA VAL A 72 -16.297 -6.123 -12.337 1.00 0.00 C ATOM 1225 C VAL A 72 -15.818 -7.147 -11.314 1.00 0.00 C ATOM 1226 O VAL A 72 -15.384 -8.242 -11.673 1.00 0.00 O ATOM 1227 CB VAL A 72 -15.186 -5.081 -12.564 1.00 0.00 C ATOM 1228 CG1 VAL A 72 -13.857 -5.769 -12.836 1.00 0.00 C ATOM 1229 CG2 VAL A 72 -15.557 -4.148 -13.707 1.00 0.00 C ATOM 0 H VAL A 72 -17.468 -4.485 -11.755 1.00 0.00 H new ATOM 0 HA VAL A 72 -16.509 -6.628 -13.280 1.00 0.00 H new ATOM 0 HB VAL A 72 -15.080 -4.484 -11.658 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -13.084 -5.017 -12.994 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -13.588 -6.392 -11.983 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -13.945 -6.392 -13.726 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -14.761 -3.418 -13.854 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -15.691 -4.727 -14.621 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -16.485 -3.629 -13.467 1.00 0.00 H new ATOM 1239 N ASP A 73 -15.898 -6.784 -10.039 1.00 0.00 N ATOM 1240 CA ASP A 73 -15.474 -7.671 -8.963 1.00 0.00 C ATOM 1241 C ASP A 73 -16.484 -8.795 -8.754 1.00 0.00 C ATOM 1242 O ASP A 73 -16.117 -9.967 -8.678 1.00 0.00 O ATOM 1243 CB ASP A 73 -15.293 -6.883 -7.664 1.00 0.00 C ATOM 1244 CG ASP A 73 -14.076 -5.980 -7.700 1.00 0.00 C ATOM 1245 OD1 ASP A 73 -13.030 -6.414 -8.227 1.00 0.00 O ATOM 1246 OD2 ASP A 73 -14.170 -4.839 -7.201 1.00 0.00 O ATOM 0 H ASP A 73 -16.253 -5.881 -9.725 1.00 0.00 H new ATOM 0 HA ASP A 73 -14.519 -8.114 -9.246 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -16.183 -6.281 -7.480 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -15.201 -7.579 -6.830 1.00 0.00 H new ATOM 1251 N ASP A 74 -17.758 -8.428 -8.662 1.00 0.00 N ATOM 1252 CA ASP A 74 -18.822 -9.405 -8.462 1.00 0.00 C ATOM 1253 C ASP A 74 -18.863 -10.407 -9.612 1.00 0.00 C ATOM 1254 O ASP A 74 -18.852 -11.619 -9.395 1.00 0.00 O ATOM 1255 CB ASP A 74 -20.173 -8.700 -8.335 1.00 0.00 C ATOM 1256 CG ASP A 74 -20.380 -8.087 -6.964 1.00 0.00 C ATOM 1257 OD1 ASP A 74 -19.478 -7.360 -6.498 1.00 0.00 O ATOM 1258 OD2 ASP A 74 -21.443 -8.334 -6.357 1.00 0.00 O ATOM 0 H ASP A 74 -18.079 -7.462 -8.723 1.00 0.00 H new ATOM 0 HA ASP A 74 -18.615 -9.947 -7.539 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -20.245 -7.920 -9.093 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -20.972 -9.414 -8.535 1.00 0.00 H new ATOM 1263 N THR A 75 -18.912 -9.892 -10.837 1.00 0.00 N ATOM 1264 CA THR A 75 -18.957 -10.741 -12.021 1.00 0.00 C ATOM 1265 C THR A 75 -17.712 -11.614 -12.119 1.00 0.00 C ATOM 1266 O THR A 75 -17.806 -12.829 -12.297 1.00 0.00 O ATOM 1267 CB THR A 75 -19.086 -9.903 -13.308 1.00 0.00 C ATOM 1268 OG1 THR A 75 -20.200 -9.011 -13.202 1.00 0.00 O ATOM 1269 CG2 THR A 75 -19.263 -10.802 -14.522 1.00 0.00 C ATOM 0 H THR A 75 -18.922 -8.891 -11.035 1.00 0.00 H new ATOM 0 HA THR A 75 -19.836 -11.377 -11.921 1.00 0.00 H new ATOM 0 HB THR A 75 -18.170 -9.325 -13.433 1.00 0.00 H new ATOM 0 HG1 THR A 75 -20.007 -8.325 -12.530 1.00 0.00 H new ATOM 0 HG21 THR A 75 -19.352 -10.189 -15.419 1.00 0.00 H new ATOM 0 HG22 THR A 75 -18.399 -11.460 -14.616 1.00 0.00 H new ATOM 0 HG23 THR A 75 -20.165 -11.402 -14.402 1.00 0.00 H new ATOM 1277 N TYR A 76 -16.546 -10.989 -12.002 1.00 0.00 N ATOM 1278 CA TYR A 76 -15.281 -11.710 -12.079 1.00 0.00 C ATOM 1279 C TYR A 76 -15.182 -12.758 -10.974 1.00 0.00 C ATOM 1280 O TYR A 76 -14.736 -13.881 -11.206 1.00 0.00 O ATOM 1281 CB TYR A 76 -14.107 -10.735 -11.979 1.00 0.00 C ATOM 1282 CG TYR A 76 -12.764 -11.374 -12.251 1.00 0.00 C ATOM 1283 CD1 TYR A 76 -12.538 -12.092 -13.419 1.00 0.00 C ATOM 1284 CD2 TYR A 76 -11.721 -11.261 -11.340 1.00 0.00 C ATOM 1285 CE1 TYR A 76 -11.313 -12.678 -13.671 1.00 0.00 C ATOM 1286 CE2 TYR A 76 -10.492 -11.843 -11.585 1.00 0.00 C ATOM 1287 CZ TYR A 76 -10.293 -12.551 -12.752 1.00 0.00 C ATOM 1288 OH TYR A 76 -9.071 -13.133 -12.998 1.00 0.00 O ATOM 0 H TYR A 76 -16.450 -9.984 -11.853 1.00 0.00 H new ATOM 0 HA TYR A 76 -15.241 -12.219 -13.042 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -14.262 -9.920 -12.686 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -14.095 -10.295 -10.982 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -13.334 -12.194 -14.142 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -11.874 -10.709 -10.425 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -11.155 -13.233 -14.584 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -9.692 -11.744 -10.867 1.00 0.00 H new ATOM 0 HH TYR A 76 -8.464 -12.947 -12.251 1.00 0.00 H new ATOM 1298 N ARG A 77 -15.603 -12.380 -9.771 1.00 0.00 N ATOM 1299 CA ARG A 77 -15.562 -13.285 -8.629 1.00 0.00 C ATOM 1300 C ARG A 77 -16.589 -14.404 -8.784 1.00 0.00 C ATOM 1301 O ARG A 77 -16.408 -15.504 -8.262 1.00 0.00 O ATOM 1302 CB ARG A 77 -15.823 -12.516 -7.332 1.00 0.00 C ATOM 1303 CG ARG A 77 -14.634 -11.695 -6.862 1.00 0.00 C ATOM 1304 CD ARG A 77 -14.966 -10.901 -5.608 1.00 0.00 C ATOM 1305 NE ARG A 77 -16.245 -10.205 -5.724 1.00 0.00 N ATOM 1306 CZ ARG A 77 -16.951 -9.785 -4.680 1.00 0.00 C ATOM 1307 NH1 ARG A 77 -16.505 -9.990 -3.449 1.00 0.00 N ATOM 1308 NH2 ARG A 77 -18.106 -9.159 -4.867 1.00 0.00 N ATOM 0 H ARG A 77 -15.976 -11.454 -9.562 1.00 0.00 H new ATOM 0 HA ARG A 77 -14.568 -13.730 -8.586 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -16.676 -11.854 -7.478 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -16.098 -13.223 -6.549 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -13.790 -12.356 -6.663 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -14.325 -11.013 -7.654 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -14.995 -11.573 -4.750 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -14.175 -10.176 -5.418 1.00 0.00 H new ATOM 0 HE ARG A 77 -16.616 -10.032 -6.658 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -15.618 -10.471 -3.302 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -17.049 -9.667 -2.649 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -18.453 -9.000 -5.813 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -18.647 -8.837 -4.065 1.00 0.00 H new ATOM 1322 N LYS A 78 -17.666 -14.115 -9.506 1.00 0.00 N ATOM 1323 CA LYS A 78 -18.721 -15.095 -9.732 1.00 0.00 C ATOM 1324 C LYS A 78 -18.307 -16.105 -10.798 1.00 0.00 C ATOM 1325 O LYS A 78 -18.598 -17.295 -10.684 1.00 0.00 O ATOM 1326 CB LYS A 78 -20.015 -14.394 -10.154 1.00 0.00 C ATOM 1327 CG LYS A 78 -21.207 -15.329 -10.260 1.00 0.00 C ATOM 1328 CD LYS A 78 -22.042 -15.031 -11.494 1.00 0.00 C ATOM 1329 CE LYS A 78 -23.526 -14.982 -11.164 1.00 0.00 C ATOM 1330 NZ LYS A 78 -24.369 -15.057 -12.390 1.00 0.00 N ATOM 0 H LYS A 78 -17.831 -13.209 -9.945 1.00 0.00 H new ATOM 0 HA LYS A 78 -18.892 -15.629 -8.797 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -20.244 -13.608 -9.434 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -19.858 -13.909 -11.117 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -20.859 -16.361 -10.296 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -21.827 -15.233 -9.368 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -21.732 -14.078 -11.923 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -21.861 -15.795 -12.250 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -23.778 -15.808 -10.499 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -23.748 -14.060 -10.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -25.374 -15.021 -12.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -24.147 -14.255 -13.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -24.176 -15.948 -12.890 1.00 0.00 H new ATOM 1344 N MET A 79 -17.626 -15.621 -11.831 1.00 0.00 N ATOM 1345 CA MET A 79 -17.169 -16.483 -12.916 1.00 0.00 C ATOM 1346 C MET A 79 -15.886 -17.212 -12.528 1.00 0.00 C ATOM 1347 O MET A 79 -15.818 -18.439 -12.585 1.00 0.00 O ATOM 1348 CB MET A 79 -16.940 -15.662 -14.186 1.00 0.00 C ATOM 1349 CG MET A 79 -16.223 -16.431 -15.285 1.00 0.00 C ATOM 1350 SD MET A 79 -16.496 -15.721 -16.920 1.00 0.00 S ATOM 1351 CE MET A 79 -15.066 -14.652 -17.068 1.00 0.00 C ATOM 0 H MET A 79 -17.378 -14.638 -11.940 1.00 0.00 H new ATOM 0 HA MET A 79 -17.943 -17.226 -13.108 1.00 0.00 H new ATOM 0 HB2 MET A 79 -17.902 -15.316 -14.564 1.00 0.00 H new ATOM 0 HB3 MET A 79 -16.358 -14.775 -13.936 1.00 0.00 H new ATOM 0 HG2 MET A 79 -15.154 -16.447 -15.074 1.00 0.00 H new ATOM 0 HG3 MET A 79 -16.564 -17.466 -15.281 1.00 0.00 H new ATOM 0 HE1 MET A 79 -15.234 -13.928 -17.866 1.00 0.00 H new ATOM 0 HE2 MET A 79 -14.907 -14.125 -16.127 1.00 0.00 H new ATOM 0 HE3 MET A 79 -14.186 -15.252 -17.301 1.00 0.00 H new