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 Set 1.1: A 26 GLN : amide:sc= -0.671 X(o=-0.63,f=-0.8) USER MOD Set 1.2: A 70 LYS NZ :NH3+ 173:sc= 0.0383 (180deg=0) USER MOD Set 2.1: A 18 LYS NZ :NH3+ -160:sc= 0 (180deg=0) USER MOD Set 2.2: A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER N :NH3+ -136:sc= 0.197 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0.125 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 94:sc= 1.03 USER MOD Single : A 8 CYS SG : rot 180:sc= -1.34 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 ASN :FLIP amide:sc= -0.237 F(o=-1.2,f=-0.24) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN :FLIP amide:sc= -0.267 F(o=-1,f=-0.27) USER MOD Single : A 47 THR OG1 : rot 89:sc= 1.2 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0158) USER MOD Single : A 75 THR OG1 : rot 84: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 172:sc= -2.43 (180deg=-2.6) USER MOD ----------------------------------------------------------------- ATOM 63 N SER A 1 -4.872 3.518 -8.502 1.00 0.00 N ATOM 64 CA SER A 1 -5.551 4.028 -9.688 1.00 0.00 C ATOM 65 C SER A 1 -5.303 3.120 -10.889 1.00 0.00 C ATOM 66 O SER A 1 -6.242 2.649 -11.529 1.00 0.00 O ATOM 67 CB SER A 1 -5.076 5.448 -10.001 1.00 0.00 C ATOM 68 OG SER A 1 -3.698 5.601 -9.710 1.00 0.00 O ATOM 0 H1 SER A 1 -5.511 3.576 -7.684 1.00 0.00 H new ATOM 0 H2 SER A 1 -4.599 2.527 -8.658 1.00 0.00 H new ATOM 0 H3 SER A 1 -4.021 4.087 -8.318 1.00 0.00 H new ATOM 0 HA SER A 1 -6.622 4.047 -9.484 1.00 0.00 H new ATOM 0 HB2 SER A 1 -5.256 5.671 -11.053 1.00 0.00 H new ATOM 0 HB3 SER A 1 -5.655 6.165 -9.419 1.00 0.00 H new ATOM 0 HG SER A 1 -3.419 6.517 -9.920 1.00 0.00 H new ATOM 74 N ALA A 2 -4.030 2.880 -11.189 1.00 0.00 N ATOM 75 CA ALA A 2 -3.658 2.028 -12.311 1.00 0.00 C ATOM 76 C ALA A 2 -4.129 0.595 -12.092 1.00 0.00 C ATOM 77 O ALA A 2 -4.270 -0.174 -13.043 1.00 0.00 O ATOM 78 CB ALA A 2 -2.151 2.064 -12.523 1.00 0.00 C ATOM 0 H ALA A 2 -3.240 3.264 -10.670 1.00 0.00 H new ATOM 0 HA ALA A 2 -4.150 2.411 -13.205 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -1.886 1.423 -13.364 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -1.837 3.087 -12.733 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -1.648 1.708 -11.624 1.00 0.00 H new ATOM 84 N ASP A 3 -4.371 0.242 -10.834 1.00 0.00 N ATOM 85 CA ASP A 3 -4.827 -1.100 -10.491 1.00 0.00 C ATOM 86 C ASP A 3 -6.318 -1.255 -10.772 1.00 0.00 C ATOM 87 O ASP A 3 -6.759 -2.280 -11.295 1.00 0.00 O ATOM 88 CB ASP A 3 -4.540 -1.398 -9.018 1.00 0.00 C ATOM 89 CG ASP A 3 -3.779 -2.695 -8.828 1.00 0.00 C ATOM 90 OD1 ASP A 3 -2.633 -2.787 -9.316 1.00 0.00 O ATOM 91 OD2 ASP A 3 -4.329 -3.619 -8.192 1.00 0.00 O ATOM 0 H ASP A 3 -4.259 0.866 -10.035 1.00 0.00 H new ATOM 0 HA ASP A 3 -4.282 -1.812 -11.111 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -3.966 -0.577 -8.589 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -5.481 -1.449 -8.470 1.00 0.00 H new ATOM 96 N LEU A 4 -7.091 -0.234 -10.422 1.00 0.00 N ATOM 97 CA LEU A 4 -8.534 -0.257 -10.636 1.00 0.00 C ATOM 98 C LEU A 4 -8.865 -0.166 -12.122 1.00 0.00 C ATOM 99 O LEU A 4 -9.773 -0.840 -12.608 1.00 0.00 O ATOM 100 CB LEU A 4 -9.199 0.896 -9.882 1.00 0.00 C ATOM 101 CG LEU A 4 -10.728 0.883 -9.850 1.00 0.00 C ATOM 102 CD1 LEU A 4 -11.234 1.052 -8.426 1.00 0.00 C ATOM 103 CD2 LEU A 4 -11.289 1.975 -10.750 1.00 0.00 C ATOM 0 H LEU A 4 -6.743 0.621 -9.988 1.00 0.00 H new ATOM 0 HA LEU A 4 -8.919 -1.203 -10.254 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -8.834 0.891 -8.855 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -8.873 1.834 -10.331 1.00 0.00 H new ATOM 0 HG LEU A 4 -11.072 -0.081 -10.224 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -12.324 1.040 -8.423 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -10.861 0.235 -7.808 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -10.880 2.002 -8.025 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -12.378 1.951 -10.715 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -10.936 2.947 -10.406 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -10.955 1.810 -11.774 1.00 0.00 H new ATOM 115 N VAL A 5 -8.122 0.670 -12.839 1.00 0.00 N ATOM 116 CA VAL A 5 -8.334 0.846 -14.271 1.00 0.00 C ATOM 117 C VAL A 5 -7.887 -0.387 -15.048 1.00 0.00 C ATOM 118 O VAL A 5 -8.641 -0.933 -15.853 1.00 0.00 O ATOM 119 CB VAL A 5 -7.578 2.078 -14.803 1.00 0.00 C ATOM 120 CG1 VAL A 5 -7.732 2.188 -16.312 1.00 0.00 C ATOM 121 CG2 VAL A 5 -8.069 3.342 -14.115 1.00 0.00 C ATOM 0 H VAL A 5 -7.367 1.237 -12.452 1.00 0.00 H new ATOM 0 HA VAL A 5 -9.404 0.995 -14.417 1.00 0.00 H new ATOM 0 HB VAL A 5 -6.518 1.958 -14.578 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -7.191 3.064 -16.670 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -7.327 1.293 -16.785 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -8.788 2.285 -16.564 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -7.524 4.203 -14.503 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -9.134 3.470 -14.307 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -7.901 3.260 -13.041 1.00 0.00 H new ATOM 131 N SER A 6 -6.655 -0.820 -14.802 1.00 0.00 N ATOM 132 CA SER A 6 -6.105 -1.987 -15.482 1.00 0.00 C ATOM 133 C SER A 6 -6.950 -3.227 -15.202 1.00 0.00 C ATOM 134 O SER A 6 -7.199 -4.036 -16.095 1.00 0.00 O ATOM 135 CB SER A 6 -4.661 -2.229 -15.038 1.00 0.00 C ATOM 136 OG SER A 6 -4.071 -3.285 -15.776 1.00 0.00 O ATOM 0 H SER A 6 -6.019 -0.380 -14.137 1.00 0.00 H new ATOM 0 HA SER A 6 -6.120 -1.793 -16.554 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.078 -1.318 -15.172 1.00 0.00 H new ATOM 0 HB3 SER A 6 -4.639 -2.468 -13.975 1.00 0.00 H new ATOM 0 HG SER A 6 -3.148 -3.419 -15.475 1.00 0.00 H new ATOM 142 N SER A 7 -7.387 -3.368 -13.955 1.00 0.00 N ATOM 143 CA SER A 7 -8.200 -4.510 -13.555 1.00 0.00 C ATOM 144 C SER A 7 -9.590 -4.433 -14.179 1.00 0.00 C ATOM 145 O SER A 7 -10.090 -5.413 -14.733 1.00 0.00 O ATOM 146 CB SER A 7 -8.317 -4.572 -12.030 1.00 0.00 C ATOM 147 OG SER A 7 -7.077 -4.918 -11.438 1.00 0.00 O ATOM 0 H SER A 7 -7.192 -2.706 -13.204 1.00 0.00 H new ATOM 0 HA SER A 7 -7.709 -5.415 -13.912 1.00 0.00 H new ATOM 0 HB2 SER A 7 -8.649 -3.607 -11.648 1.00 0.00 H new ATOM 0 HB3 SER A 7 -9.074 -5.304 -11.750 1.00 0.00 H new ATOM 0 HG SER A 7 -6.592 -4.102 -11.194 1.00 0.00 H new ATOM 153 N CYS A 8 -10.209 -3.261 -14.086 1.00 0.00 N ATOM 154 CA CYS A 8 -11.542 -3.054 -14.641 1.00 0.00 C ATOM 155 C CYS A 8 -11.546 -3.287 -16.148 1.00 0.00 C ATOM 156 O CYS A 8 -12.482 -3.871 -16.695 1.00 0.00 O ATOM 157 CB CYS A 8 -12.033 -1.640 -14.330 1.00 0.00 C ATOM 158 SG CYS A 8 -12.792 -1.463 -12.698 1.00 0.00 S ATOM 0 H CYS A 8 -9.809 -2.440 -13.632 1.00 0.00 H new ATOM 0 HA CYS A 8 -12.217 -3.775 -14.179 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -11.192 -0.951 -14.404 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -12.757 -1.343 -15.089 1.00 0.00 H new ATOM 0 HG CYS A 8 -13.173 -0.232 -12.528 1.00 0.00 H new ATOM 164 N LYS A 9 -10.494 -2.826 -16.815 1.00 0.00 N ATOM 165 CA LYS A 9 -10.374 -2.983 -18.260 1.00 0.00 C ATOM 166 C LYS A 9 -10.223 -4.454 -18.637 1.00 0.00 C ATOM 167 O LYS A 9 -10.988 -4.979 -19.446 1.00 0.00 O ATOM 168 CB LYS A 9 -9.177 -2.186 -18.783 1.00 0.00 C ATOM 169 CG LYS A 9 -8.807 -2.516 -20.219 1.00 0.00 C ATOM 170 CD LYS A 9 -7.461 -3.216 -20.301 1.00 0.00 C ATOM 171 CE LYS A 9 -7.538 -4.475 -21.150 1.00 0.00 C ATOM 172 NZ LYS A 9 -6.200 -5.101 -21.337 1.00 0.00 N ATOM 0 H LYS A 9 -9.711 -2.340 -16.378 1.00 0.00 H new ATOM 0 HA LYS A 9 -11.286 -2.600 -18.719 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -9.400 -1.122 -18.710 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -8.316 -2.376 -18.142 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -9.576 -3.152 -20.657 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -8.778 -1.599 -20.808 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -6.721 -2.536 -20.723 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -7.122 -3.473 -19.298 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -8.211 -5.191 -20.678 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -7.964 -4.231 -22.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -6.295 -5.956 -21.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -5.565 -4.427 -21.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -5.804 -5.357 -20.410 1.00 0.00 H new ATOM 186 N ASP A 10 -9.234 -5.113 -18.044 1.00 0.00 N ATOM 187 CA ASP A 10 -8.984 -6.523 -18.316 1.00 0.00 C ATOM 188 C ASP A 10 -10.263 -7.341 -18.162 1.00 0.00 C ATOM 189 O ASP A 10 -10.612 -8.139 -19.032 1.00 0.00 O ATOM 190 CB ASP A 10 -7.903 -7.062 -17.378 1.00 0.00 C ATOM 191 CG ASP A 10 -7.339 -8.389 -17.846 1.00 0.00 C ATOM 192 OD1 ASP A 10 -7.473 -8.700 -19.048 1.00 0.00 O ATOM 193 OD2 ASP A 10 -6.764 -9.118 -17.010 1.00 0.00 O ATOM 0 H ASP A 10 -8.592 -4.693 -17.372 1.00 0.00 H new ATOM 0 HA ASP A 10 -8.638 -6.613 -19.346 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -7.095 -6.334 -17.303 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -8.320 -7.180 -16.378 1.00 0.00 H new ATOM 198 N LYS A 11 -10.957 -7.138 -17.047 1.00 0.00 N ATOM 199 CA LYS A 11 -12.198 -7.855 -16.777 1.00 0.00 C ATOM 200 C LYS A 11 -13.297 -7.425 -17.744 1.00 0.00 C ATOM 201 O LYS A 11 -13.908 -8.258 -18.415 1.00 0.00 O ATOM 202 CB LYS A 11 -12.648 -7.611 -15.335 1.00 0.00 C ATOM 203 CG LYS A 11 -12.294 -8.744 -14.387 1.00 0.00 C ATOM 204 CD LYS A 11 -11.097 -8.392 -13.520 1.00 0.00 C ATOM 205 CE LYS A 11 -11.189 -9.047 -12.150 1.00 0.00 C ATOM 206 NZ LYS A 11 -10.395 -8.310 -11.129 1.00 0.00 N ATOM 0 H LYS A 11 -10.681 -6.483 -16.316 1.00 0.00 H new ATOM 0 HA LYS A 11 -12.011 -8.920 -16.918 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -12.193 -6.689 -14.972 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -13.727 -7.460 -15.321 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -13.151 -8.969 -13.752 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -12.077 -9.645 -14.961 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -10.181 -8.711 -14.016 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -11.036 -7.310 -13.404 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -12.232 -9.090 -11.837 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -10.833 -10.075 -12.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -10.483 -8.788 -10.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -9.395 -8.291 -11.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -10.751 -7.336 -11.049 1.00 0.00 H new ATOM 220 N LEU A 12 -13.542 -6.122 -17.811 1.00 0.00 N ATOM 221 CA LEU A 12 -14.567 -5.581 -18.698 1.00 0.00 C ATOM 222 C LEU A 12 -14.404 -6.124 -20.114 1.00 0.00 C ATOM 223 O LEU A 12 -15.380 -6.505 -20.759 1.00 0.00 O ATOM 224 CB LEU A 12 -14.500 -4.053 -18.714 1.00 0.00 C ATOM 225 CG LEU A 12 -15.432 -3.351 -19.702 1.00 0.00 C ATOM 226 CD1 LEU A 12 -16.517 -2.586 -18.961 1.00 0.00 C ATOM 227 CD2 LEU A 12 -14.644 -2.417 -20.609 1.00 0.00 C ATOM 0 H LEU A 12 -13.046 -5.420 -17.262 1.00 0.00 H new ATOM 0 HA LEU A 12 -15.541 -5.892 -18.320 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -14.725 -3.689 -17.712 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -13.475 -3.756 -18.938 1.00 0.00 H new ATOM 0 HG LEU A 12 -15.909 -4.110 -20.322 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -17.171 -2.093 -19.681 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -17.101 -3.279 -18.355 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -16.058 -1.837 -18.315 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -15.324 -1.926 -21.305 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -14.138 -1.664 -20.005 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -13.904 -2.991 -21.168 1.00 0.00 H new ATOM 239 N ALA A 13 -13.163 -6.158 -20.589 1.00 0.00 N ATOM 240 CA ALA A 13 -12.872 -6.659 -21.927 1.00 0.00 C ATOM 241 C ALA A 13 -13.093 -8.165 -22.010 1.00 0.00 C ATOM 242 O ALA A 13 -13.583 -8.676 -23.017 1.00 0.00 O ATOM 243 CB ALA A 13 -11.444 -6.311 -22.321 1.00 0.00 C ATOM 0 H ALA A 13 -12.344 -5.845 -20.068 1.00 0.00 H new ATOM 0 HA ALA A 13 -13.558 -6.179 -22.625 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -11.240 -6.691 -23.322 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -11.317 -5.228 -22.311 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -10.750 -6.764 -21.613 1.00 0.00 H new ATOM 249 N TYR A 14 -12.729 -8.871 -20.945 1.00 0.00 N ATOM 250 CA TYR A 14 -12.884 -10.320 -20.899 1.00 0.00 C ATOM 251 C TYR A 14 -14.352 -10.705 -20.738 1.00 0.00 C ATOM 252 O TYR A 14 -14.738 -11.846 -20.994 1.00 0.00 O ATOM 253 CB TYR A 14 -12.063 -10.906 -19.749 1.00 0.00 C ATOM 254 CG TYR A 14 -12.125 -12.415 -19.668 1.00 0.00 C ATOM 255 CD1 TYR A 14 -11.728 -13.204 -20.741 1.00 0.00 C ATOM 256 CD2 TYR A 14 -12.580 -13.050 -18.520 1.00 0.00 C ATOM 257 CE1 TYR A 14 -11.784 -14.583 -20.671 1.00 0.00 C ATOM 258 CE2 TYR A 14 -12.638 -14.428 -18.441 1.00 0.00 C ATOM 259 CZ TYR A 14 -12.239 -15.190 -19.520 1.00 0.00 C ATOM 260 OH TYR A 14 -12.296 -16.563 -19.446 1.00 0.00 O ATOM 0 H TYR A 14 -12.325 -8.463 -20.102 1.00 0.00 H new ATOM 0 HA TYR A 14 -12.520 -10.729 -21.841 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -11.023 -10.599 -19.863 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -12.419 -10.485 -18.809 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -11.370 -12.732 -21.644 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -12.894 -12.456 -17.674 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -11.473 -15.182 -21.514 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -12.993 -14.906 -17.540 1.00 0.00 H new ATOM 0 HH TYR A 14 -12.638 -16.829 -18.567 1.00 0.00 H new ATOM 270 N PHE A 15 -15.165 -9.745 -20.311 1.00 0.00 N ATOM 271 CA PHE A 15 -16.591 -9.982 -20.115 1.00 0.00 C ATOM 272 C PHE A 15 -17.396 -9.469 -21.306 1.00 0.00 C ATOM 273 O PHE A 15 -17.156 -8.370 -21.804 1.00 0.00 O ATOM 274 CB PHE A 15 -17.070 -9.303 -18.830 1.00 0.00 C ATOM 275 CG PHE A 15 -16.328 -9.750 -17.604 1.00 0.00 C ATOM 276 CD1 PHE A 15 -15.770 -11.017 -17.538 1.00 0.00 C ATOM 277 CD2 PHE A 15 -16.187 -8.903 -16.516 1.00 0.00 C ATOM 278 CE1 PHE A 15 -15.087 -11.430 -16.410 1.00 0.00 C ATOM 279 CE2 PHE A 15 -15.505 -9.311 -15.385 1.00 0.00 C ATOM 280 CZ PHE A 15 -14.953 -10.576 -15.333 1.00 0.00 C ATOM 0 H PHE A 15 -14.861 -8.796 -20.094 1.00 0.00 H new ATOM 0 HA PHE A 15 -16.747 -11.057 -20.029 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -16.962 -8.224 -18.937 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -18.133 -9.505 -18.696 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -15.870 -11.689 -18.378 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -16.615 -7.912 -16.552 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -14.658 -12.420 -16.371 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -15.404 -8.642 -14.543 1.00 0.00 H new ATOM 0 HZ PHE A 15 -14.418 -10.897 -14.452 1.00 0.00 H new ATOM 290 N ARG A 16 -18.353 -10.275 -21.756 1.00 0.00 N ATOM 291 CA ARG A 16 -19.193 -9.905 -22.889 1.00 0.00 C ATOM 292 C ARG A 16 -19.827 -8.534 -22.670 1.00 0.00 C ATOM 293 O ARG A 16 -19.698 -7.944 -21.597 1.00 0.00 O ATOM 294 CB ARG A 16 -20.284 -10.954 -23.107 1.00 0.00 C ATOM 295 CG ARG A 16 -20.719 -11.088 -24.557 1.00 0.00 C ATOM 296 CD ARG A 16 -21.256 -12.480 -24.851 1.00 0.00 C ATOM 297 NE ARG A 16 -20.209 -13.497 -24.780 1.00 0.00 N ATOM 298 CZ ARG A 16 -20.390 -14.764 -25.134 1.00 0.00 C ATOM 299 NH1 ARG A 16 -21.571 -15.168 -25.582 1.00 0.00 N ATOM 300 NH2 ARG A 16 -19.389 -15.630 -25.042 1.00 0.00 N ATOM 0 H ARG A 16 -18.566 -11.188 -21.353 1.00 0.00 H new ATOM 0 HA ARG A 16 -18.562 -9.858 -23.777 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -19.923 -11.920 -22.754 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -21.151 -10.696 -22.499 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -21.487 -10.347 -24.778 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -19.874 -10.877 -25.213 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -22.045 -12.722 -24.139 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -21.707 -12.493 -25.843 1.00 0.00 H new ATOM 0 HE ARG A 16 -19.289 -13.218 -24.440 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -22.343 -14.505 -25.655 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -21.708 -16.142 -25.853 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -18.479 -15.323 -24.699 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -19.530 -16.603 -25.314 1.00 0.00 H new ATOM 314 N ILE A 17 -20.512 -8.035 -23.693 1.00 0.00 N ATOM 315 CA ILE A 17 -21.166 -6.735 -23.612 1.00 0.00 C ATOM 316 C ILE A 17 -22.017 -6.625 -22.351 1.00 0.00 C ATOM 317 O ILE A 17 -22.258 -5.529 -21.845 1.00 0.00 O ATOM 318 CB ILE A 17 -22.056 -6.475 -24.842 1.00 0.00 C ATOM 319 CG1 ILE A 17 -21.286 -6.778 -26.129 1.00 0.00 C ATOM 320 CG2 ILE A 17 -22.553 -5.037 -24.842 1.00 0.00 C ATOM 321 CD1 ILE A 17 -21.771 -5.987 -27.324 1.00 0.00 C ATOM 0 H ILE A 17 -20.629 -8.511 -24.588 1.00 0.00 H new ATOM 0 HA ILE A 17 -20.375 -5.986 -23.580 1.00 0.00 H new ATOM 0 HB ILE A 17 -22.920 -7.137 -24.793 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -20.229 -6.567 -25.969 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -21.368 -7.842 -26.350 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -23.180 -4.869 -25.717 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -23.134 -4.853 -23.938 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -21.701 -4.358 -24.870 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -21.180 -6.253 -28.200 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -22.820 -6.216 -27.511 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -21.663 -4.921 -27.123 1.00 0.00 H new ATOM 333 N LYS A 18 -22.468 -7.769 -21.847 1.00 0.00 N ATOM 334 CA LYS A 18 -23.289 -7.804 -20.643 1.00 0.00 C ATOM 335 C LYS A 18 -22.671 -6.952 -19.538 1.00 0.00 C ATOM 336 O LYS A 18 -23.346 -6.119 -18.935 1.00 0.00 O ATOM 337 CB LYS A 18 -23.456 -9.245 -20.157 1.00 0.00 C ATOM 338 CG LYS A 18 -24.906 -9.679 -20.027 1.00 0.00 C ATOM 339 CD LYS A 18 -25.608 -9.690 -21.375 1.00 0.00 C ATOM 340 CE LYS A 18 -26.694 -8.628 -21.447 1.00 0.00 C ATOM 341 NZ LYS A 18 -27.163 -8.407 -22.843 1.00 0.00 N ATOM 0 H LYS A 18 -22.278 -8.685 -22.254 1.00 0.00 H new ATOM 0 HA LYS A 18 -24.269 -7.394 -20.889 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -22.946 -9.915 -20.849 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -22.965 -9.353 -19.190 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -24.951 -10.674 -19.584 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -25.429 -9.005 -19.349 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -24.879 -9.521 -22.167 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -26.046 -10.673 -21.550 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -27.537 -8.928 -20.824 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -26.314 -7.691 -21.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -27.631 -7.480 -22.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -26.350 -8.432 -23.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -27.837 -9.154 -23.105 1.00 0.00 H new ATOM 355 N GLU A 19 -21.385 -7.166 -19.281 1.00 0.00 N ATOM 356 CA GLU A 19 -20.677 -6.417 -18.250 1.00 0.00 C ATOM 357 C GLU A 19 -20.814 -4.914 -18.479 1.00 0.00 C ATOM 358 O GLU A 19 -21.244 -4.176 -17.592 1.00 0.00 O ATOM 359 CB GLU A 19 -19.198 -6.808 -18.227 1.00 0.00 C ATOM 360 CG GLU A 19 -18.403 -6.119 -17.131 1.00 0.00 C ATOM 361 CD GLU A 19 -18.669 -6.708 -15.759 1.00 0.00 C ATOM 362 OE1 GLU A 19 -19.249 -7.811 -15.689 1.00 0.00 O ATOM 363 OE2 GLU A 19 -18.297 -6.064 -14.756 1.00 0.00 O ATOM 0 H GLU A 19 -20.812 -7.852 -19.773 1.00 0.00 H new ATOM 0 HA GLU A 19 -21.124 -6.663 -17.287 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -19.118 -7.887 -18.098 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -18.753 -6.569 -19.193 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -17.339 -6.197 -17.356 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -18.650 -5.057 -17.121 1.00 0.00 H new ATOM 370 N LEU A 20 -20.444 -4.468 -19.674 1.00 0.00 N ATOM 371 CA LEU A 20 -20.524 -3.054 -20.022 1.00 0.00 C ATOM 372 C LEU A 20 -21.967 -2.562 -19.973 1.00 0.00 C ATOM 373 O LEU A 20 -22.229 -1.402 -19.652 1.00 0.00 O ATOM 374 CB LEU A 20 -19.938 -2.816 -21.415 1.00 0.00 C ATOM 375 CG LEU A 20 -18.521 -3.341 -21.646 1.00 0.00 C ATOM 376 CD1 LEU A 20 -18.544 -4.557 -22.558 1.00 0.00 C ATOM 377 CD2 LEU A 20 -17.637 -2.250 -22.231 1.00 0.00 C ATOM 0 H LEU A 20 -20.085 -5.066 -20.419 1.00 0.00 H new ATOM 0 HA LEU A 20 -19.943 -2.492 -19.291 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -20.599 -3.277 -22.149 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -19.943 -1.744 -21.611 1.00 0.00 H new ATOM 0 HG LEU A 20 -18.105 -3.642 -20.685 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -17.526 -4.916 -22.711 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -19.142 -5.344 -22.099 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -18.980 -4.283 -23.519 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -16.632 -2.642 -22.389 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -18.051 -1.918 -23.183 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -17.594 -1.408 -21.541 1.00 0.00 H new ATOM 389 N LYS A 21 -22.901 -3.451 -20.292 1.00 0.00 N ATOM 390 CA LYS A 21 -24.318 -3.110 -20.282 1.00 0.00 C ATOM 391 C LYS A 21 -24.761 -2.665 -18.892 1.00 0.00 C ATOM 392 O LYS A 21 -25.409 -1.629 -18.739 1.00 0.00 O ATOM 393 CB LYS A 21 -25.155 -4.308 -20.736 1.00 0.00 C ATOM 394 CG LYS A 21 -26.516 -3.924 -21.291 1.00 0.00 C ATOM 395 CD LYS A 21 -27.579 -4.943 -20.916 1.00 0.00 C ATOM 396 CE LYS A 21 -28.923 -4.602 -21.541 1.00 0.00 C ATOM 397 NZ LYS A 21 -29.328 -5.603 -22.566 1.00 0.00 N ATOM 0 H LYS A 21 -22.702 -4.414 -20.561 1.00 0.00 H new ATOM 0 HA LYS A 21 -24.472 -2.283 -20.975 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -24.603 -4.858 -21.498 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -25.294 -4.984 -19.892 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -26.801 -2.943 -20.911 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -26.457 -3.841 -22.376 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -27.266 -5.934 -21.243 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -27.680 -4.982 -19.831 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -29.684 -4.552 -20.762 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -28.870 -3.614 -21.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -30.249 -5.335 -22.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -28.615 -5.633 -23.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -29.403 -6.541 -22.124 1.00 0.00 H new ATOM 411 N ASP A 22 -24.406 -3.452 -17.883 1.00 0.00 N ATOM 412 CA ASP A 22 -24.764 -3.137 -16.505 1.00 0.00 C ATOM 413 C ASP A 22 -24.025 -1.893 -16.022 1.00 0.00 C ATOM 414 O ASP A 22 -24.583 -1.071 -15.294 1.00 0.00 O ATOM 415 CB ASP A 22 -24.448 -4.320 -15.589 1.00 0.00 C ATOM 416 CG ASP A 22 -25.581 -4.631 -14.631 1.00 0.00 C ATOM 417 OD1 ASP A 22 -25.919 -3.754 -13.808 1.00 0.00 O ATOM 418 OD2 ASP A 22 -26.131 -5.750 -14.704 1.00 0.00 O ATOM 0 H ASP A 22 -23.870 -4.313 -17.993 1.00 0.00 H new ATOM 0 HA ASP A 22 -25.835 -2.938 -16.471 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -24.238 -5.200 -16.197 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -23.544 -4.103 -15.020 1.00 0.00 H new ATOM 423 N ILE A 23 -22.768 -1.762 -16.431 1.00 0.00 N ATOM 424 CA ILE A 23 -21.953 -0.618 -16.040 1.00 0.00 C ATOM 425 C ILE A 23 -22.510 0.678 -16.619 1.00 0.00 C ATOM 426 O ILE A 23 -22.766 1.637 -15.890 1.00 0.00 O ATOM 427 CB ILE A 23 -20.492 -0.785 -16.497 1.00 0.00 C ATOM 428 CG1 ILE A 23 -19.873 -2.031 -15.858 1.00 0.00 C ATOM 429 CG2 ILE A 23 -19.682 0.454 -16.147 1.00 0.00 C ATOM 430 CD1 ILE A 23 -18.641 -2.531 -16.578 1.00 0.00 C ATOM 0 H ILE A 23 -22.291 -2.434 -17.033 1.00 0.00 H new ATOM 0 HA ILE A 23 -21.981 -0.568 -14.952 1.00 0.00 H new ATOM 0 HB ILE A 23 -20.478 -0.910 -17.580 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -19.613 -1.808 -14.823 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -20.618 -2.826 -15.835 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -18.652 0.320 -16.477 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -20.112 1.323 -16.645 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -19.701 0.608 -15.068 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -18.256 -3.415 -16.070 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -18.899 -2.786 -17.606 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -17.878 -1.752 -16.578 1.00 0.00 H new ATOM 442 N LEU A 24 -22.697 0.699 -17.934 1.00 0.00 N ATOM 443 CA LEU A 24 -23.226 1.877 -18.612 1.00 0.00 C ATOM 444 C LEU A 24 -24.651 2.175 -18.154 1.00 0.00 C ATOM 445 O LEU A 24 -25.061 3.333 -18.085 1.00 0.00 O ATOM 446 CB LEU A 24 -23.198 1.673 -20.128 1.00 0.00 C ATOM 447 CG LEU A 24 -24.553 1.710 -20.836 1.00 0.00 C ATOM 448 CD1 LEU A 24 -24.389 2.159 -22.279 1.00 0.00 C ATOM 449 CD2 LEU A 24 -25.225 0.346 -20.772 1.00 0.00 C ATOM 0 H LEU A 24 -22.490 -0.086 -18.552 1.00 0.00 H new ATOM 0 HA LEU A 24 -22.595 2.728 -18.354 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -22.561 2.441 -20.566 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -22.728 0.712 -20.336 1.00 0.00 H new ATOM 0 HG LEU A 24 -25.190 2.431 -20.324 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -25.364 2.179 -22.767 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -23.951 3.157 -22.302 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -23.735 1.463 -22.804 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -26.188 0.391 -21.281 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -24.591 -0.395 -21.259 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -25.378 0.064 -19.730 1.00 0.00 H new ATOM 461 N ASN A 25 -25.399 1.122 -17.842 1.00 0.00 N ATOM 462 CA ASN A 25 -26.777 1.271 -17.389 1.00 0.00 C ATOM 463 C ASN A 25 -26.834 2.006 -16.053 1.00 0.00 C ATOM 464 O ASN A 25 -27.681 2.875 -15.848 1.00 0.00 O ATOM 465 CB ASN A 25 -27.444 -0.100 -17.258 1.00 0.00 C ATOM 466 CG ASN A 25 -28.474 -0.138 -16.146 1.00 0.00 C ATOM 467 OD1 ASN A 25 -28.059 -0.594 -14.970 1.00 0.00 O flip ATOM 468 ND2 ASN A 25 -29.630 0.238 -16.342 1.00 0.00 N flip ATOM 0 H ASN A 25 -25.074 0.157 -17.895 1.00 0.00 H new ATOM 0 HA ASN A 25 -27.315 1.860 -18.131 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -27.923 -0.360 -18.202 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -26.681 -0.855 -17.069 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -29.906 0.581 -17.262 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -30.312 0.206 -15.584 1.00 0.00 H new ATOM 475 N GLN A 26 -25.927 1.651 -15.149 1.00 0.00 N ATOM 476 CA GLN A 26 -25.874 2.277 -13.833 1.00 0.00 C ATOM 477 C GLN A 26 -25.230 3.657 -13.913 1.00 0.00 C ATOM 478 O GLN A 26 -25.571 4.558 -13.145 1.00 0.00 O ATOM 479 CB GLN A 26 -25.097 1.394 -12.856 1.00 0.00 C ATOM 480 CG GLN A 26 -25.883 0.187 -12.370 1.00 0.00 C ATOM 481 CD GLN A 26 -24.989 -0.909 -11.823 1.00 0.00 C ATOM 482 OE1 GLN A 26 -25.173 -1.371 -10.697 1.00 0.00 O ATOM 483 NE2 GLN A 26 -24.015 -1.332 -12.621 1.00 0.00 N ATOM 0 H GLN A 26 -25.219 0.933 -15.304 1.00 0.00 H new ATOM 0 HA GLN A 26 -26.896 2.393 -13.472 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -24.182 1.051 -13.338 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -24.799 1.993 -11.996 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -26.582 0.501 -11.595 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -26.477 -0.211 -13.193 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -23.899 -0.920 -13.547 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -23.383 -2.069 -12.308 1.00 0.00 H new ATOM 492 N LEU A 27 -24.297 3.817 -14.845 1.00 0.00 N ATOM 493 CA LEU A 27 -23.604 5.088 -15.025 1.00 0.00 C ATOM 494 C LEU A 27 -24.559 6.160 -15.540 1.00 0.00 C ATOM 495 O LEU A 27 -24.421 7.338 -15.212 1.00 0.00 O ATOM 496 CB LEU A 27 -22.435 4.921 -15.997 1.00 0.00 C ATOM 497 CG LEU A 27 -21.146 4.350 -15.404 1.00 0.00 C ATOM 498 CD1 LEU A 27 -20.389 3.545 -16.449 1.00 0.00 C ATOM 499 CD2 LEU A 27 -20.272 5.467 -14.853 1.00 0.00 C ATOM 0 H LEU A 27 -24.003 3.082 -15.488 1.00 0.00 H new ATOM 0 HA LEU A 27 -23.220 5.405 -14.055 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -22.756 4.271 -16.811 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -22.210 5.894 -16.435 1.00 0.00 H new ATOM 0 HG LEU A 27 -21.410 3.684 -14.583 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -19.475 3.146 -16.009 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -21.013 2.722 -16.797 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -20.136 4.189 -17.291 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -19.359 5.042 -14.435 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -20.016 6.158 -15.656 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -20.814 6.002 -14.073 1.00 0.00 H new ATOM 619 N LYS A 35 -19.488 -1.558 -28.168 1.00 0.00 N ATOM 620 CA LYS A 35 -18.366 -2.197 -27.492 1.00 0.00 C ATOM 621 C LYS A 35 -17.225 -1.208 -27.277 1.00 0.00 C ATOM 622 O LYS A 35 -16.642 -1.145 -26.195 1.00 0.00 O ATOM 623 CB LYS A 35 -17.870 -3.396 -28.304 1.00 0.00 C ATOM 624 CG LYS A 35 -16.918 -4.298 -27.538 1.00 0.00 C ATOM 625 CD LYS A 35 -17.639 -5.502 -26.955 1.00 0.00 C ATOM 626 CE LYS A 35 -17.549 -5.524 -25.437 1.00 0.00 C ATOM 627 NZ LYS A 35 -16.427 -6.379 -24.960 1.00 0.00 N ATOM 0 HA LYS A 35 -18.711 -2.544 -26.518 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -18.728 -3.983 -28.631 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -17.370 -3.034 -29.202 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -16.122 -4.636 -28.202 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -16.445 -3.732 -26.735 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -18.686 -5.483 -27.258 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -17.207 -6.417 -27.360 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -17.414 -4.508 -25.066 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -18.488 -5.892 -25.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -16.400 -6.368 -23.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -16.568 -7.354 -25.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -15.528 -6.013 -25.334 1.00 0.00 H new ATOM 641 N GLN A 36 -16.913 -0.438 -28.315 1.00 0.00 N ATOM 642 CA GLN A 36 -15.842 0.549 -28.238 1.00 0.00 C ATOM 643 C GLN A 36 -16.248 1.726 -27.357 1.00 0.00 C ATOM 644 O GLN A 36 -15.526 2.101 -26.433 1.00 0.00 O ATOM 645 CB GLN A 36 -15.477 1.046 -29.638 1.00 0.00 C ATOM 646 CG GLN A 36 -14.449 0.176 -30.343 1.00 0.00 C ATOM 647 CD GLN A 36 -13.060 0.319 -29.753 1.00 0.00 C ATOM 648 OE1 GLN A 36 -12.790 -0.425 -28.687 1.00 0.00 O flip ATOM 649 NE2 GLN A 36 -12.238 1.090 -30.250 1.00 0.00 N flip ATOM 0 H GLN A 36 -17.386 -0.479 -29.218 1.00 0.00 H new ATOM 0 HA GLN A 36 -14.971 0.069 -27.792 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -16.381 1.091 -30.246 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -15.091 2.063 -29.565 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -14.759 -0.867 -30.283 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -14.419 0.440 -31.400 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -12.488 1.643 -31.070 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -11.307 1.175 -29.842 1.00 0.00 H new ATOM 658 N ASP A 37 -17.407 2.305 -27.650 1.00 0.00 N ATOM 659 CA ASP A 37 -17.910 3.440 -26.885 1.00 0.00 C ATOM 660 C ASP A 37 -17.915 3.128 -25.391 1.00 0.00 C ATOM 661 O ASP A 37 -17.472 3.939 -24.576 1.00 0.00 O ATOM 662 CB ASP A 37 -19.321 3.808 -27.346 1.00 0.00 C ATOM 663 CG ASP A 37 -19.376 5.170 -28.010 1.00 0.00 C ATOM 664 OD1 ASP A 37 -19.150 5.241 -29.236 1.00 0.00 O ATOM 665 OD2 ASP A 37 -19.645 6.165 -27.304 1.00 0.00 O ATOM 0 H ASP A 37 -18.016 2.007 -28.412 1.00 0.00 H new ATOM 0 HA ASP A 37 -17.247 4.287 -27.059 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -19.681 3.052 -28.044 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -19.995 3.797 -26.489 1.00 0.00 H new ATOM 670 N LEU A 38 -18.418 1.951 -25.039 1.00 0.00 N ATOM 671 CA LEU A 38 -18.481 1.532 -23.643 1.00 0.00 C ATOM 672 C LEU A 38 -17.082 1.381 -23.056 1.00 0.00 C ATOM 673 O LEU A 38 -16.755 1.994 -22.039 1.00 0.00 O ATOM 674 CB LEU A 38 -19.244 0.211 -23.520 1.00 0.00 C ATOM 675 CG LEU A 38 -20.742 0.271 -23.822 1.00 0.00 C ATOM 676 CD1 LEU A 38 -21.375 -1.101 -23.651 1.00 0.00 C ATOM 677 CD2 LEU A 38 -21.426 1.292 -22.926 1.00 0.00 C ATOM 0 H LEU A 38 -18.789 1.269 -25.701 1.00 0.00 H new ATOM 0 HA LEU A 38 -19.009 2.303 -23.082 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -18.787 -0.514 -24.193 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -19.113 -0.168 -22.507 1.00 0.00 H new ATOM 0 HG LEU A 38 -20.873 0.582 -24.858 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -22.441 -1.040 -23.870 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -20.904 -1.807 -24.335 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -21.234 -1.441 -22.625 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -22.491 1.321 -23.155 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -21.287 1.011 -21.882 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -20.991 2.276 -23.098 1.00 0.00 H new ATOM 689 N ILE A 39 -16.259 0.563 -23.704 1.00 0.00 N ATOM 690 CA ILE A 39 -14.894 0.334 -23.248 1.00 0.00 C ATOM 691 C ILE A 39 -14.163 1.653 -23.020 1.00 0.00 C ATOM 692 O ILE A 39 -13.638 1.904 -21.934 1.00 0.00 O ATOM 693 CB ILE A 39 -14.097 -0.513 -24.257 1.00 0.00 C ATOM 694 CG1 ILE A 39 -14.229 -2.001 -23.923 1.00 0.00 C ATOM 695 CG2 ILE A 39 -12.635 -0.094 -24.264 1.00 0.00 C ATOM 696 CD1 ILE A 39 -14.626 -2.853 -25.108 1.00 0.00 C ATOM 0 H ILE A 39 -16.514 0.048 -24.547 1.00 0.00 H new ATOM 0 HA ILE A 39 -14.963 -0.209 -22.306 1.00 0.00 H new ATOM 0 HB ILE A 39 -14.507 -0.345 -25.253 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -13.279 -2.362 -23.528 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -14.970 -2.123 -23.133 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -12.086 -0.702 -24.982 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -12.559 0.956 -24.545 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -12.211 -0.235 -23.270 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -14.701 -3.895 -24.798 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -15.590 -2.518 -25.490 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -13.873 -2.760 -25.891 1.00 0.00 H new ATOM 708 N ASP A 40 -14.133 2.492 -24.049 1.00 0.00 N ATOM 709 CA ASP A 40 -13.468 3.787 -23.960 1.00 0.00 C ATOM 710 C ASP A 40 -14.113 4.656 -22.885 1.00 0.00 C ATOM 711 O ASP A 40 -13.449 5.487 -22.264 1.00 0.00 O ATOM 712 CB ASP A 40 -13.519 4.504 -25.310 1.00 0.00 C ATOM 713 CG ASP A 40 -12.167 5.050 -25.727 1.00 0.00 C ATOM 714 OD1 ASP A 40 -11.575 5.826 -24.947 1.00 0.00 O ATOM 715 OD2 ASP A 40 -11.702 4.702 -26.831 1.00 0.00 O ATOM 0 H ASP A 40 -14.561 2.299 -24.954 1.00 0.00 H new ATOM 0 HA ASP A 40 -12.427 3.615 -23.687 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -13.879 3.813 -26.072 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -14.237 5.322 -25.257 1.00 0.00 H new ATOM 720 N ARG A 41 -15.410 4.460 -22.671 1.00 0.00 N ATOM 721 CA ARG A 41 -16.145 5.227 -21.673 1.00 0.00 C ATOM 722 C ARG A 41 -15.704 4.847 -20.262 1.00 0.00 C ATOM 723 O ARG A 41 -15.411 5.713 -19.438 1.00 0.00 O ATOM 724 CB ARG A 41 -17.649 4.997 -21.828 1.00 0.00 C ATOM 725 CG ARG A 41 -18.339 6.039 -22.694 1.00 0.00 C ATOM 726 CD ARG A 41 -19.074 7.067 -21.850 1.00 0.00 C ATOM 727 NE ARG A 41 -19.849 7.995 -22.669 1.00 0.00 N ATOM 728 CZ ARG A 41 -19.321 9.043 -23.292 1.00 0.00 C ATOM 729 NH1 ARG A 41 -18.023 9.294 -23.189 1.00 0.00 N ATOM 730 NH2 ARG A 41 -20.091 9.841 -24.020 1.00 0.00 N ATOM 0 H ARG A 41 -15.974 3.776 -23.176 1.00 0.00 H new ATOM 0 HA ARG A 41 -15.928 6.283 -21.831 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -17.814 4.010 -22.261 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -18.111 4.994 -20.841 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -17.600 6.541 -23.319 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -19.043 5.547 -23.365 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -19.739 6.556 -21.154 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -18.355 7.626 -21.251 1.00 0.00 H new ATOM 0 HE ARG A 41 -20.851 7.830 -22.768 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -17.428 8.682 -22.631 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -17.620 10.099 -23.668 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -21.090 9.650 -24.102 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -19.684 10.645 -24.498 1.00 0.00 H new ATOM 744 N VAL A 42 -15.659 3.547 -19.992 1.00 0.00 N ATOM 745 CA VAL A 42 -15.253 3.051 -18.682 1.00 0.00 C ATOM 746 C VAL A 42 -13.851 3.530 -18.324 1.00 0.00 C ATOM 747 O VAL A 42 -13.643 4.152 -17.281 1.00 0.00 O ATOM 748 CB VAL A 42 -15.288 1.513 -18.628 1.00 0.00 C ATOM 749 CG1 VAL A 42 -14.605 1.007 -17.367 1.00 0.00 C ATOM 750 CG2 VAL A 42 -16.722 1.009 -18.706 1.00 0.00 C ATOM 0 H VAL A 42 -15.899 2.817 -20.663 1.00 0.00 H new ATOM 0 HA VAL A 42 -15.965 3.448 -17.959 1.00 0.00 H new ATOM 0 HB VAL A 42 -14.743 1.125 -19.489 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -14.640 -0.082 -17.346 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -13.566 1.337 -17.358 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -15.119 1.403 -16.491 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -16.727 -0.080 -18.666 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -17.293 1.405 -17.867 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -17.174 1.340 -19.641 1.00 0.00 H new ATOM 760 N LEU A 43 -12.892 3.237 -19.195 1.00 0.00 N ATOM 761 CA LEU A 43 -11.507 3.638 -18.971 1.00 0.00 C ATOM 762 C LEU A 43 -11.394 5.154 -18.838 1.00 0.00 C ATOM 763 O LEU A 43 -10.615 5.659 -18.030 1.00 0.00 O ATOM 764 CB LEU A 43 -10.622 3.149 -20.119 1.00 0.00 C ATOM 765 CG LEU A 43 -10.814 1.691 -20.539 1.00 0.00 C ATOM 766 CD1 LEU A 43 -9.625 1.210 -21.357 1.00 0.00 C ATOM 767 CD2 LEU A 43 -11.017 0.806 -19.318 1.00 0.00 C ATOM 0 H LEU A 43 -13.047 2.724 -20.063 1.00 0.00 H new ATOM 0 HA LEU A 43 -11.169 3.183 -18.040 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -10.803 3.783 -20.987 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -9.580 3.290 -19.833 1.00 0.00 H new ATOM 0 HG LEU A 43 -11.707 1.627 -21.161 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -9.779 0.171 -21.647 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -9.526 1.825 -22.251 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -8.717 1.289 -20.760 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -11.152 -0.228 -19.636 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -10.144 0.875 -18.669 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -11.901 1.136 -18.772 1.00 0.00 H new ATOM 779 N ALA A 44 -12.178 5.873 -19.634 1.00 0.00 N ATOM 780 CA ALA A 44 -12.169 7.330 -19.601 1.00 0.00 C ATOM 781 C ALA A 44 -12.719 7.853 -18.279 1.00 0.00 C ATOM 782 O ALA A 44 -12.381 8.956 -17.847 1.00 0.00 O ATOM 783 CB ALA A 44 -12.971 7.889 -20.767 1.00 0.00 C ATOM 0 H ALA A 44 -12.827 5.470 -20.310 1.00 0.00 H new ATOM 0 HA ALA A 44 -11.136 7.664 -19.692 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -12.956 8.978 -20.730 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -12.532 7.552 -21.706 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -14.001 7.538 -20.702 1.00 0.00 H new ATOM 789 N LEU A 45 -13.570 7.057 -17.641 1.00 0.00 N ATOM 790 CA LEU A 45 -14.169 7.440 -16.367 1.00 0.00 C ATOM 791 C LEU A 45 -13.190 7.220 -15.218 1.00 0.00 C ATOM 792 O LEU A 45 -13.044 8.073 -14.342 1.00 0.00 O ATOM 793 CB LEU A 45 -15.449 6.640 -16.122 1.00 0.00 C ATOM 794 CG LEU A 45 -15.524 5.882 -14.796 1.00 0.00 C ATOM 795 CD1 LEU A 45 -15.787 6.843 -13.647 1.00 0.00 C ATOM 796 CD2 LEU A 45 -16.602 4.810 -14.855 1.00 0.00 C ATOM 0 H LEU A 45 -13.861 6.142 -17.985 1.00 0.00 H new ATOM 0 HA LEU A 45 -14.415 8.501 -16.413 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -16.296 7.323 -16.175 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -15.566 5.923 -16.934 1.00 0.00 H new ATOM 0 HG LEU A 45 -14.565 5.395 -14.623 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -15.837 6.286 -12.711 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -14.980 7.574 -13.592 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -16.733 7.359 -13.813 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -16.641 4.281 -13.903 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -17.568 5.276 -15.051 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -16.370 4.105 -15.653 1.00 0.00 H new ATOM 808 N LEU A 46 -12.522 6.072 -15.228 1.00 0.00 N ATOM 809 CA LEU A 46 -11.555 5.741 -14.188 1.00 0.00 C ATOM 810 C LEU A 46 -10.213 6.415 -14.456 1.00 0.00 C ATOM 811 O LEU A 46 -9.323 6.414 -13.605 1.00 0.00 O ATOM 812 CB LEU A 46 -11.369 4.225 -14.101 1.00 0.00 C ATOM 813 CG LEU A 46 -12.631 3.382 -14.285 1.00 0.00 C ATOM 814 CD1 LEU A 46 -12.273 1.915 -14.462 1.00 0.00 C ATOM 815 CD2 LEU A 46 -13.571 3.564 -13.101 1.00 0.00 C ATOM 0 H LEU A 46 -12.632 5.355 -15.945 1.00 0.00 H new ATOM 0 HA LEU A 46 -11.941 6.109 -13.237 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -10.642 3.924 -14.856 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -10.936 3.987 -13.129 1.00 0.00 H new ATOM 0 HG LEU A 46 -13.142 3.721 -15.186 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -13.184 1.331 -14.591 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -11.639 1.799 -15.341 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -11.738 1.562 -13.580 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -14.464 2.957 -13.249 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -13.068 3.253 -12.186 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -13.855 4.613 -13.020 1.00 0.00 H new ATOM 827 N THR A 47 -10.074 6.992 -15.646 1.00 0.00 N ATOM 828 CA THR A 47 -8.842 7.671 -16.026 1.00 0.00 C ATOM 829 C THR A 47 -9.040 9.182 -16.076 1.00 0.00 C ATOM 830 O THR A 47 -8.424 9.923 -15.310 1.00 0.00 O ATOM 831 CB THR A 47 -8.334 7.186 -17.397 1.00 0.00 C ATOM 832 OG1 THR A 47 -8.115 5.771 -17.366 1.00 0.00 O ATOM 833 CG2 THR A 47 -7.044 7.896 -17.778 1.00 0.00 C ATOM 0 H THR A 47 -10.800 7.002 -16.363 1.00 0.00 H new ATOM 0 HA THR A 47 -8.100 7.429 -15.265 1.00 0.00 H new ATOM 0 HB THR A 47 -9.093 7.419 -18.144 1.00 0.00 H new ATOM 0 HG1 THR A 47 -8.943 5.306 -17.609 1.00 0.00 H new ATOM 0 HG21 THR A 47 -6.704 7.537 -18.750 1.00 0.00 H new ATOM 0 HG22 THR A 47 -7.221 8.970 -17.830 1.00 0.00 H new ATOM 0 HG23 THR A 47 -6.280 7.690 -17.028 1.00 0.00 H new ATOM 841 N ASP A 48 -9.902 9.632 -16.981 1.00 0.00 N ATOM 842 CA ASP A 48 -10.181 11.055 -17.129 1.00 0.00 C ATOM 843 C ASP A 48 -11.077 11.553 -16.000 1.00 0.00 C ATOM 844 O ASP A 48 -11.273 12.757 -15.835 1.00 0.00 O ATOM 845 CB ASP A 48 -10.844 11.329 -18.481 1.00 0.00 C ATOM 846 CG ASP A 48 -9.943 12.106 -19.420 1.00 0.00 C ATOM 847 OD1 ASP A 48 -9.243 13.024 -18.946 1.00 0.00 O ATOM 848 OD2 ASP A 48 -9.939 11.795 -20.630 1.00 0.00 O ATOM 0 H ASP A 48 -10.419 9.032 -17.623 1.00 0.00 H new ATOM 0 HA ASP A 48 -9.234 11.592 -17.082 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -11.119 10.382 -18.946 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -11.767 11.887 -18.323 1.00 0.00 H new ATOM 853 N GLU A 49 -11.619 10.619 -15.225 1.00 0.00 N ATOM 854 CA GLU A 49 -12.496 10.964 -14.112 1.00 0.00 C ATOM 855 C GLU A 49 -12.084 10.221 -12.844 1.00 0.00 C ATOM 856 O GLU A 49 -12.893 10.023 -11.939 1.00 0.00 O ATOM 857 CB GLU A 49 -13.950 10.636 -14.458 1.00 0.00 C ATOM 858 CG GLU A 49 -14.821 11.866 -14.653 1.00 0.00 C ATOM 859 CD GLU A 49 -15.926 11.968 -13.620 1.00 0.00 C ATOM 860 OE1 GLU A 49 -16.955 11.279 -13.781 1.00 0.00 O ATOM 861 OE2 GLU A 49 -15.761 12.736 -12.649 1.00 0.00 O ATOM 0 H GLU A 49 -11.466 9.618 -15.347 1.00 0.00 H new ATOM 0 HA GLU A 49 -12.406 12.035 -13.931 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -13.972 10.037 -15.369 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -14.374 10.023 -13.663 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -14.198 12.759 -14.603 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -15.262 11.840 -15.650 1.00 0.00 H new ATOM 1076 N LEU A 63 -21.959 5.020 -10.629 1.00 0.00 N ATOM 1077 CA LEU A 63 -21.418 5.646 -11.831 1.00 0.00 C ATOM 1078 C LEU A 63 -19.950 6.015 -11.638 1.00 0.00 C ATOM 1079 O LEU A 63 -19.413 6.862 -12.352 1.00 0.00 O ATOM 1080 CB LEU A 63 -22.227 6.893 -12.188 1.00 0.00 C ATOM 1081 CG LEU A 63 -22.342 7.956 -11.095 1.00 0.00 C ATOM 1082 CD1 LEU A 63 -21.061 8.771 -11.006 1.00 0.00 C ATOM 1083 CD2 LEU A 63 -23.536 8.862 -11.354 1.00 0.00 C ATOM 0 HA LEU A 63 -21.489 4.929 -12.649 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -21.778 7.353 -13.068 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -23.233 6.581 -12.470 1.00 0.00 H new ATOM 0 HG LEU A 63 -22.495 7.452 -10.141 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -21.162 9.522 -10.223 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -20.226 8.111 -10.771 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -20.876 9.264 -11.960 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -23.601 9.612 -10.566 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -23.415 9.358 -12.317 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -24.449 8.267 -11.365 1.00 0.00 H new ATOM 1095 N THR A 64 -19.306 5.372 -10.669 1.00 0.00 N ATOM 1096 CA THR A 64 -17.900 5.632 -10.384 1.00 0.00 C ATOM 1097 C THR A 64 -17.104 4.334 -10.317 1.00 0.00 C ATOM 1098 O THR A 64 -17.644 3.250 -10.535 1.00 0.00 O ATOM 1099 CB THR A 64 -17.729 6.396 -9.057 1.00 0.00 C ATOM 1100 OG1 THR A 64 -18.968 7.006 -8.679 1.00 0.00 O ATOM 1101 CG2 THR A 64 -16.650 7.461 -9.182 1.00 0.00 C ATOM 0 H THR A 64 -19.735 4.668 -10.069 1.00 0.00 H new ATOM 0 HA THR A 64 -17.519 6.246 -11.200 1.00 0.00 H new ATOM 0 HB THR A 64 -17.427 5.684 -8.289 1.00 0.00 H new ATOM 0 HG1 THR A 64 -18.851 7.488 -7.834 1.00 0.00 H new ATOM 0 HG21 THR A 64 -16.547 7.988 -8.233 1.00 0.00 H new ATOM 0 HG22 THR A 64 -15.702 6.990 -9.440 1.00 0.00 H new ATOM 0 HG23 THR A 64 -16.927 8.170 -9.962 1.00 0.00 H new ATOM 1109 N LYS A 65 -15.816 4.451 -10.013 1.00 0.00 N ATOM 1110 CA LYS A 65 -14.943 3.287 -9.914 1.00 0.00 C ATOM 1111 C LYS A 65 -15.580 2.202 -9.051 1.00 0.00 C ATOM 1112 O LYS A 65 -15.370 1.011 -9.282 1.00 0.00 O ATOM 1113 CB LYS A 65 -13.587 3.688 -9.330 1.00 0.00 C ATOM 1114 CG LYS A 65 -13.692 4.601 -8.121 1.00 0.00 C ATOM 1115 CD LYS A 65 -13.192 6.001 -8.435 1.00 0.00 C ATOM 1116 CE LYS A 65 -11.730 6.171 -8.053 1.00 0.00 C ATOM 1117 NZ LYS A 65 -10.820 5.848 -9.186 1.00 0.00 N ATOM 0 H LYS A 65 -15.353 5.341 -9.831 1.00 0.00 H new ATOM 0 HA LYS A 65 -14.795 2.889 -10.918 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -13.041 2.787 -9.048 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -13.001 4.187 -10.102 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -14.729 4.650 -7.790 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -13.114 4.183 -7.297 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -13.317 6.203 -9.499 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -13.796 6.733 -7.899 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -11.556 7.197 -7.729 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -11.499 5.525 -7.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -9.856 6.166 -8.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -10.817 4.820 -9.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -11.150 6.332 -10.045 1.00 0.00 H new ATOM 1131 N GLU A 66 -16.358 2.622 -8.059 1.00 0.00 N ATOM 1132 CA GLU A 66 -17.025 1.684 -7.163 1.00 0.00 C ATOM 1133 C GLU A 66 -18.000 0.797 -7.932 1.00 0.00 C ATOM 1134 O GLU A 66 -18.004 -0.423 -7.770 1.00 0.00 O ATOM 1135 CB GLU A 66 -17.768 2.440 -6.059 1.00 0.00 C ATOM 1136 CG GLU A 66 -16.881 2.837 -4.891 1.00 0.00 C ATOM 1137 CD GLU A 66 -15.467 3.174 -5.320 1.00 0.00 C ATOM 1138 OE1 GLU A 66 -14.662 2.237 -5.502 1.00 0.00 O ATOM 1139 OE2 GLU A 66 -15.164 4.376 -5.474 1.00 0.00 O ATOM 0 H GLU A 66 -16.542 3.604 -7.855 1.00 0.00 H new ATOM 0 HA GLU A 66 -16.263 1.049 -6.710 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -18.218 3.337 -6.484 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -18.584 1.818 -5.690 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -17.318 3.698 -4.384 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -16.853 2.022 -4.168 1.00 0.00 H new ATOM 1146 N ALA A 67 -18.824 1.419 -8.767 1.00 0.00 N ATOM 1147 CA ALA A 67 -19.802 0.687 -9.562 1.00 0.00 C ATOM 1148 C ALA A 67 -19.116 -0.248 -10.552 1.00 0.00 C ATOM 1149 O ALA A 67 -19.436 -1.435 -10.624 1.00 0.00 O ATOM 1150 CB ALA A 67 -20.718 1.656 -10.296 1.00 0.00 C ATOM 0 H ALA A 67 -18.834 2.429 -8.911 1.00 0.00 H new ATOM 0 HA ALA A 67 -20.402 0.079 -8.885 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -21.443 1.095 -10.886 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -21.243 2.279 -9.572 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -20.125 2.288 -10.956 1.00 0.00 H new ATOM 1156 N VAL A 68 -18.171 0.294 -11.314 1.00 0.00 N ATOM 1157 CA VAL A 68 -17.439 -0.493 -12.299 1.00 0.00 C ATOM 1158 C VAL A 68 -16.757 -1.691 -11.649 1.00 0.00 C ATOM 1159 O VAL A 68 -16.826 -2.810 -12.159 1.00 0.00 O ATOM 1160 CB VAL A 68 -16.378 0.359 -13.021 1.00 0.00 C ATOM 1161 CG1 VAL A 68 -15.704 -0.447 -14.121 1.00 0.00 C ATOM 1162 CG2 VAL A 68 -17.005 1.625 -13.585 1.00 0.00 C ATOM 0 H VAL A 68 -17.895 1.275 -11.268 1.00 0.00 H new ATOM 0 HA VAL A 68 -18.169 -0.846 -13.028 1.00 0.00 H new ATOM 0 HB VAL A 68 -15.616 0.649 -12.297 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -14.958 0.171 -14.620 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -15.219 -1.321 -13.687 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -16.451 -0.769 -14.846 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -16.241 2.215 -14.092 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -17.788 1.358 -14.295 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -17.436 2.210 -12.773 1.00 0.00 H new ATOM 1172 N ALA A 69 -16.098 -1.450 -10.521 1.00 0.00 N ATOM 1173 CA ALA A 69 -15.405 -2.510 -9.799 1.00 0.00 C ATOM 1174 C ALA A 69 -16.395 -3.447 -9.116 1.00 0.00 C ATOM 1175 O ALA A 69 -16.084 -4.608 -8.850 1.00 0.00 O ATOM 1176 CB ALA A 69 -14.448 -1.914 -8.777 1.00 0.00 C ATOM 0 H ALA A 69 -16.029 -0.530 -10.087 1.00 0.00 H new ATOM 0 HA ALA A 69 -14.832 -3.093 -10.520 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -13.937 -2.717 -8.245 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -13.713 -1.291 -9.287 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -15.007 -1.306 -8.066 1.00 0.00 H new ATOM 1182 N LYS A 70 -17.589 -2.936 -8.834 1.00 0.00 N ATOM 1183 CA LYS A 70 -18.626 -3.727 -8.182 1.00 0.00 C ATOM 1184 C LYS A 70 -19.109 -4.849 -9.095 1.00 0.00 C ATOM 1185 O LYS A 70 -19.185 -6.007 -8.684 1.00 0.00 O ATOM 1186 CB LYS A 70 -19.804 -2.834 -7.786 1.00 0.00 C ATOM 1187 CG LYS A 70 -20.993 -3.603 -7.238 1.00 0.00 C ATOM 1188 CD LYS A 70 -21.987 -2.681 -6.553 1.00 0.00 C ATOM 1189 CE LYS A 70 -23.181 -2.385 -7.447 1.00 0.00 C ATOM 1190 NZ LYS A 70 -22.971 -1.160 -8.266 1.00 0.00 N ATOM 0 H LYS A 70 -17.862 -1.977 -9.047 1.00 0.00 H new ATOM 0 HA LYS A 70 -18.198 -4.172 -7.284 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -19.469 -2.117 -7.037 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -20.123 -2.260 -8.656 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -21.489 -4.135 -8.050 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -20.646 -4.355 -6.530 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -22.330 -3.139 -5.626 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -21.493 -1.748 -6.283 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -23.361 -3.235 -8.105 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -24.073 -2.262 -6.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -23.752 -1.058 -8.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -22.942 -0.327 -7.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -22.071 -1.237 -8.782 1.00 0.00 H new ATOM 1204 N ILE A 71 -19.432 -4.498 -10.336 1.00 0.00 N ATOM 1205 CA ILE A 71 -19.905 -5.477 -11.307 1.00 0.00 C ATOM 1206 C ILE A 71 -18.764 -6.364 -11.793 1.00 0.00 C ATOM 1207 O ILE A 71 -18.938 -7.568 -11.985 1.00 0.00 O ATOM 1208 CB ILE A 71 -20.562 -4.793 -12.521 1.00 0.00 C ATOM 1209 CG1 ILE A 71 -21.475 -3.655 -12.060 1.00 0.00 C ATOM 1210 CG2 ILE A 71 -21.344 -5.808 -13.341 1.00 0.00 C ATOM 1211 CD1 ILE A 71 -22.550 -4.097 -11.092 1.00 0.00 C ATOM 0 H ILE A 71 -19.375 -3.544 -10.692 1.00 0.00 H new ATOM 0 HA ILE A 71 -20.649 -6.091 -10.800 1.00 0.00 H new ATOM 0 HB ILE A 71 -19.778 -4.372 -13.151 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -20.868 -2.882 -11.588 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -21.947 -3.202 -12.932 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -21.803 -5.310 -14.195 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -20.669 -6.587 -13.695 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -22.121 -6.255 -12.721 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -23.159 -3.239 -10.808 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -23.181 -4.848 -11.567 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -22.086 -4.523 -10.202 1.00 0.00 H new ATOM 1223 N VAL A 72 -17.595 -5.762 -11.989 1.00 0.00 N ATOM 1224 CA VAL A 72 -16.424 -6.498 -12.450 1.00 0.00 C ATOM 1225 C VAL A 72 -15.979 -7.526 -11.416 1.00 0.00 C ATOM 1226 O VAL A 72 -15.578 -8.637 -11.763 1.00 0.00 O ATOM 1227 CB VAL A 72 -15.249 -5.549 -12.754 1.00 0.00 C ATOM 1228 CG1 VAL A 72 -13.937 -6.317 -12.783 1.00 0.00 C ATOM 1229 CG2 VAL A 72 -15.480 -4.821 -14.069 1.00 0.00 C ATOM 0 H VAL A 72 -17.434 -4.767 -11.836 1.00 0.00 H new ATOM 0 HA VAL A 72 -16.713 -7.012 -13.367 1.00 0.00 H new ATOM 0 HB VAL A 72 -15.189 -4.805 -11.959 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -13.118 -5.631 -12.999 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -13.770 -6.788 -11.814 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -13.981 -7.084 -13.556 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -14.641 -4.155 -14.268 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -15.566 -5.548 -14.877 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -16.399 -4.238 -14.006 1.00 0.00 H new ATOM 1239 N ASP A 73 -16.052 -7.147 -10.144 1.00 0.00 N ATOM 1240 CA ASP A 73 -15.657 -8.037 -9.058 1.00 0.00 C ATOM 1241 C ASP A 73 -16.683 -9.150 -8.868 1.00 0.00 C ATOM 1242 O ASP A 73 -16.330 -10.326 -8.785 1.00 0.00 O ATOM 1243 CB ASP A 73 -15.495 -7.248 -7.758 1.00 0.00 C ATOM 1244 CG ASP A 73 -14.207 -6.448 -7.723 1.00 0.00 C ATOM 1245 OD1 ASP A 73 -13.184 -6.948 -8.237 1.00 0.00 O ATOM 1246 OD2 ASP A 73 -14.223 -5.322 -7.184 1.00 0.00 O ATOM 0 H ASP A 73 -16.381 -6.230 -9.840 1.00 0.00 H new ATOM 0 HA ASP A 73 -14.701 -8.490 -9.321 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -16.342 -6.573 -7.638 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -15.515 -7.937 -6.913 1.00 0.00 H new ATOM 1251 N ASP A 74 -17.954 -8.770 -8.798 1.00 0.00 N ATOM 1252 CA ASP A 74 -19.032 -9.736 -8.617 1.00 0.00 C ATOM 1253 C ASP A 74 -19.118 -10.684 -9.808 1.00 0.00 C ATOM 1254 O ASP A 74 -19.389 -11.875 -9.650 1.00 0.00 O ATOM 1255 CB ASP A 74 -20.367 -9.013 -8.427 1.00 0.00 C ATOM 1256 CG ASP A 74 -20.398 -8.178 -7.162 1.00 0.00 C ATOM 1257 OD1 ASP A 74 -19.642 -8.498 -6.220 1.00 0.00 O ATOM 1258 OD2 ASP A 74 -21.178 -7.204 -7.114 1.00 0.00 O ATOM 0 H ASP A 74 -18.263 -7.800 -8.864 1.00 0.00 H new ATOM 0 HA ASP A 74 -18.815 -10.322 -7.724 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -20.555 -8.371 -9.287 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -21.173 -9.746 -8.395 1.00 0.00 H new ATOM 1263 N THR A 75 -18.886 -10.148 -11.003 1.00 0.00 N ATOM 1264 CA THR A 75 -18.940 -10.945 -12.222 1.00 0.00 C ATOM 1265 C THR A 75 -17.707 -11.832 -12.353 1.00 0.00 C ATOM 1266 O THR A 75 -17.790 -12.957 -12.845 1.00 0.00 O ATOM 1267 CB THR A 75 -19.052 -10.052 -13.472 1.00 0.00 C ATOM 1268 OG1 THR A 75 -20.254 -9.277 -13.414 1.00 0.00 O ATOM 1269 CG2 THR A 75 -19.045 -10.894 -14.740 1.00 0.00 C ATOM 0 H THR A 75 -18.659 -9.165 -11.152 1.00 0.00 H new ATOM 0 HA THR A 75 -19.829 -11.572 -12.152 1.00 0.00 H new ATOM 0 HB THR A 75 -18.191 -9.384 -13.493 1.00 0.00 H new ATOM 0 HG1 THR A 75 -20.100 -8.474 -12.873 1.00 0.00 H new ATOM 0 HG21 THR A 75 -19.125 -10.242 -15.610 1.00 0.00 H new ATOM 0 HG22 THR A 75 -18.115 -11.461 -14.795 1.00 0.00 H new ATOM 0 HG23 THR A 75 -19.889 -11.583 -14.724 1.00 0.00 H new ATOM 1277 N TYR A 76 -16.565 -11.318 -11.910 1.00 0.00 N ATOM 1278 CA TYR A 76 -15.314 -12.064 -11.980 1.00 0.00 C ATOM 1279 C TYR A 76 -15.267 -13.151 -10.911 1.00 0.00 C ATOM 1280 O TYR A 76 -14.717 -14.230 -11.130 1.00 0.00 O ATOM 1281 CB TYR A 76 -14.122 -11.118 -11.814 1.00 0.00 C ATOM 1282 CG TYR A 76 -12.782 -11.807 -11.936 1.00 0.00 C ATOM 1283 CD1 TYR A 76 -12.352 -12.323 -13.153 1.00 0.00 C ATOM 1284 CD2 TYR A 76 -11.945 -11.942 -10.836 1.00 0.00 C ATOM 1285 CE1 TYR A 76 -11.129 -12.953 -13.270 1.00 0.00 C ATOM 1286 CE2 TYR A 76 -10.719 -12.569 -10.943 1.00 0.00 C ATOM 1287 CZ TYR A 76 -10.315 -13.073 -12.162 1.00 0.00 C ATOM 1288 OH TYR A 76 -9.095 -13.700 -12.273 1.00 0.00 O ATOM 0 H TYR A 76 -16.480 -10.388 -11.499 1.00 0.00 H new ATOM 0 HA TYR A 76 -15.259 -12.540 -12.959 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -14.186 -10.331 -12.565 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -14.185 -10.635 -10.839 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -12.986 -12.229 -14.022 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -12.258 -11.550 -9.880 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -10.811 -13.350 -14.223 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -10.080 -12.664 -10.077 1.00 0.00 H new ATOM 0 HH TYR A 76 -8.646 -13.699 -11.402 1.00 0.00 H new ATOM 1298 N ARG A 77 -15.849 -12.858 -9.752 1.00 0.00 N ATOM 1299 CA ARG A 77 -15.874 -13.809 -8.648 1.00 0.00 C ATOM 1300 C ARG A 77 -16.952 -14.867 -8.866 1.00 0.00 C ATOM 1301 O ARG A 77 -16.782 -16.029 -8.494 1.00 0.00 O ATOM 1302 CB ARG A 77 -16.120 -13.081 -7.325 1.00 0.00 C ATOM 1303 CG ARG A 77 -17.554 -12.613 -7.145 1.00 0.00 C ATOM 1304 CD ARG A 77 -17.720 -11.805 -5.867 1.00 0.00 C ATOM 1305 NE ARG A 77 -16.696 -10.773 -5.734 1.00 0.00 N ATOM 1306 CZ ARG A 77 -16.378 -10.197 -4.580 1.00 0.00 C ATOM 1307 NH1 ARG A 77 -17.001 -10.551 -3.465 1.00 0.00 N ATOM 1308 NH2 ARG A 77 -15.434 -9.265 -4.541 1.00 0.00 N ATOM 0 H ARG A 77 -16.309 -11.970 -9.554 1.00 0.00 H new ATOM 0 HA ARG A 77 -14.904 -14.305 -8.607 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -15.857 -13.744 -6.501 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -15.455 -12.219 -7.265 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -17.850 -12.007 -8.001 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -18.219 -13.476 -7.120 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -18.706 -11.340 -5.858 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -17.674 -12.473 -5.007 1.00 0.00 H new ATOM 0 HE ARG A 77 -16.197 -10.478 -6.573 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -17.727 -11.267 -3.492 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -16.755 -10.107 -2.580 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -14.952 -8.991 -5.397 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -15.190 -8.823 -3.655 1.00 0.00 H new ATOM 1322 N LYS A 78 -18.062 -14.458 -9.470 1.00 0.00 N ATOM 1323 CA LYS A 78 -19.168 -15.369 -9.739 1.00 0.00 C ATOM 1324 C LYS A 78 -18.868 -16.247 -10.950 1.00 0.00 C ATOM 1325 O LYS A 78 -19.259 -17.413 -10.994 1.00 0.00 O ATOM 1326 CB LYS A 78 -20.459 -14.581 -9.975 1.00 0.00 C ATOM 1327 CG LYS A 78 -20.526 -13.917 -11.339 1.00 0.00 C ATOM 1328 CD LYS A 78 -21.194 -14.817 -12.365 1.00 0.00 C ATOM 1329 CE LYS A 78 -22.507 -14.224 -12.855 1.00 0.00 C ATOM 1330 NZ LYS A 78 -23.251 -15.172 -13.730 1.00 0.00 N ATOM 0 H LYS A 78 -18.220 -13.500 -9.783 1.00 0.00 H new ATOM 0 HA LYS A 78 -19.296 -16.012 -8.868 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -21.310 -15.253 -9.865 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -20.555 -13.817 -9.203 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -21.077 -12.980 -11.262 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -19.519 -13.668 -11.673 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -20.523 -14.967 -13.211 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -21.378 -15.798 -11.926 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -23.127 -13.957 -11.999 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -22.308 -13.304 -13.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -24.139 -14.731 -14.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -22.670 -15.407 -14.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -23.464 -16.040 -13.199 1.00 0.00 H new ATOM 1344 N MET A 79 -18.170 -15.680 -11.928 1.00 0.00 N ATOM 1345 CA MET A 79 -17.815 -16.413 -13.138 1.00 0.00 C ATOM 1346 C MET A 79 -16.624 -17.332 -12.886 1.00 0.00 C ATOM 1347 O MET A 79 -16.648 -18.506 -13.253 1.00 0.00 O ATOM 1348 CB MET A 79 -17.493 -15.440 -14.273 1.00 0.00 C ATOM 1349 CG MET A 79 -17.447 -16.098 -15.643 1.00 0.00 C ATOM 1350 SD MET A 79 -15.962 -15.667 -16.571 1.00 0.00 S ATOM 1351 CE MET A 79 -16.472 -14.126 -17.327 1.00 0.00 C ATOM 0 H MET A 79 -17.839 -14.715 -11.907 1.00 0.00 H new ATOM 0 HA MET A 79 -18.669 -17.025 -13.426 1.00 0.00 H new ATOM 0 HB2 MET A 79 -18.241 -14.648 -14.285 1.00 0.00 H new ATOM 0 HB3 MET A 79 -16.531 -14.967 -14.074 1.00 0.00 H new ATOM 0 HG2 MET A 79 -17.495 -17.180 -15.524 1.00 0.00 H new ATOM 0 HG3 MET A 79 -18.327 -15.801 -16.214 1.00 0.00 H new ATOM 0 HE1 MET A 79 -15.617 -13.661 -17.818 1.00 0.00 H new ATOM 0 HE2 MET A 79 -17.251 -14.322 -18.064 1.00 0.00 H new ATOM 0 HE3 MET A 79 -16.859 -13.455 -16.560 1.00 0.00 H new