USER MOD reduce.3.24.130724 H: found=0, std=0, add=290, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 291 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 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ -174:sc= -1.31 (180deg=-1.54) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 124 N GLY A 9 -0.975 -18.628 -11.959 1.00 0.00 N ATOM 125 CA GLY A 9 -0.367 -18.349 -13.255 1.00 0.00 C ATOM 126 C GLY A 9 1.019 -17.734 -13.079 1.00 0.00 C ATOM 127 O GLY A 9 1.887 -17.881 -13.940 1.00 0.00 O ATOM 0 HA2 GLY A 9 -0.291 -19.270 -13.833 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -1.003 -17.669 -13.822 1.00 0.00 H new ATOM 131 N LEU A 10 1.218 -17.038 -11.959 1.00 0.00 N ATOM 132 CA LEU A 10 2.498 -16.404 -11.687 1.00 0.00 C ATOM 133 C LEU A 10 3.606 -17.445 -11.588 1.00 0.00 C ATOM 134 O LEU A 10 4.713 -17.231 -12.081 1.00 0.00 O ATOM 135 CB LEU A 10 2.413 -15.601 -10.386 1.00 0.00 C ATOM 136 CG LEU A 10 3.744 -14.845 -10.124 1.00 0.00 C ATOM 137 CD1 LEU A 10 3.453 -13.491 -9.464 1.00 0.00 C ATOM 138 CD2 LEU A 10 4.656 -15.655 -9.188 1.00 0.00 C ATOM 0 H LEU A 10 0.513 -16.902 -11.234 1.00 0.00 H new ATOM 0 HA LEU A 10 2.734 -15.730 -12.511 1.00 0.00 H new ATOM 0 HB2 LEU A 10 1.589 -14.889 -10.444 1.00 0.00 H new ATOM 0 HB3 LEU A 10 2.198 -16.270 -9.553 1.00 0.00 H new ATOM 0 HG LEU A 10 4.243 -14.701 -11.082 1.00 0.00 H new ATOM 0 HD11 LEU A 10 4.391 -12.966 -9.283 1.00 0.00 H new ATOM 0 HD12 LEU A 10 2.823 -12.893 -10.123 1.00 0.00 H new ATOM 0 HD13 LEU A 10 2.938 -13.651 -8.517 1.00 0.00 H new ATOM 0 HD21 LEU A 10 5.583 -15.106 -9.018 1.00 0.00 H new ATOM 0 HD22 LEU A 10 4.150 -15.816 -8.236 1.00 0.00 H new ATOM 0 HD23 LEU A 10 4.883 -16.618 -9.645 1.00 0.00 H new ATOM 150 N ILE A 11 3.312 -18.566 -10.935 1.00 0.00 N ATOM 151 CA ILE A 11 4.302 -19.623 -10.770 1.00 0.00 C ATOM 152 C ILE A 11 4.753 -20.148 -12.124 1.00 0.00 C ATOM 153 O ILE A 11 5.943 -20.305 -12.357 1.00 0.00 O ATOM 154 CB ILE A 11 3.700 -20.767 -9.920 1.00 0.00 C ATOM 155 CG1 ILE A 11 3.740 -20.388 -8.436 1.00 0.00 C ATOM 156 CG2 ILE A 11 4.489 -22.064 -10.127 1.00 0.00 C ATOM 157 CD1 ILE A 11 3.117 -19.010 -8.234 1.00 0.00 C ATOM 0 H ILE A 11 2.404 -18.764 -10.515 1.00 0.00 H new ATOM 0 HA ILE A 11 5.174 -19.217 -10.257 1.00 0.00 H new ATOM 0 HB ILE A 11 2.668 -20.923 -10.235 1.00 0.00 H new ATOM 0 HG12 ILE A 11 3.200 -21.130 -7.848 1.00 0.00 H new ATOM 0 HG13 ILE A 11 4.770 -20.387 -8.080 1.00 0.00 H new ATOM 0 HG21 ILE A 11 4.051 -22.857 -9.521 1.00 0.00 H new ATOM 0 HG22 ILE A 11 4.452 -22.348 -11.179 1.00 0.00 H new ATOM 0 HG23 ILE A 11 5.526 -21.911 -9.829 1.00 0.00 H new ATOM 0 HD11 ILE A 11 3.149 -18.748 -7.177 1.00 0.00 H new ATOM 0 HD12 ILE A 11 3.675 -18.271 -8.808 1.00 0.00 H new ATOM 0 HD13 ILE A 11 2.081 -19.026 -8.573 1.00 0.00 H new ATOM 169 N LEU A 12 3.810 -20.404 -13.016 1.00 0.00 N ATOM 170 CA LEU A 12 4.148 -20.909 -14.335 1.00 0.00 C ATOM 171 C LEU A 12 5.057 -19.930 -15.055 1.00 0.00 C ATOM 172 O LEU A 12 6.057 -20.324 -15.645 1.00 0.00 O ATOM 173 CB LEU A 12 2.868 -21.110 -15.147 1.00 0.00 C ATOM 174 CG LEU A 12 3.127 -22.055 -16.337 1.00 0.00 C ATOM 175 CD1 LEU A 12 2.977 -23.516 -15.893 1.00 0.00 C ATOM 176 CD2 LEU A 12 2.114 -21.768 -17.452 1.00 0.00 C ATOM 0 H LEU A 12 2.812 -20.271 -12.852 1.00 0.00 H new ATOM 0 HA LEU A 12 4.668 -21.861 -14.228 1.00 0.00 H new ATOM 0 HB2 LEU A 12 2.087 -21.524 -14.509 1.00 0.00 H new ATOM 0 HB3 LEU A 12 2.506 -20.148 -15.511 1.00 0.00 H new ATOM 0 HG LEU A 12 4.140 -21.889 -16.703 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.162 -24.175 -16.741 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.696 -23.732 -15.102 1.00 0.00 H new ATOM 0 HD13 LEU A 12 1.966 -23.681 -15.519 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.299 -22.437 -18.292 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.104 -21.928 -17.076 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.219 -20.734 -17.781 1.00 0.00 H new ATOM 188 N ILE A 13 4.710 -18.653 -14.978 1.00 0.00 N ATOM 189 CA ILE A 13 5.505 -17.606 -15.608 1.00 0.00 C ATOM 190 C ILE A 13 6.870 -17.514 -14.955 1.00 0.00 C ATOM 191 O ILE A 13 7.883 -17.330 -15.630 1.00 0.00 O ATOM 192 CB ILE A 13 4.782 -16.252 -15.486 1.00 0.00 C ATOM 193 CG1 ILE A 13 3.680 -16.164 -16.548 1.00 0.00 C ATOM 194 CG2 ILE A 13 5.777 -15.093 -15.674 1.00 0.00 C ATOM 195 CD1 ILE A 13 2.775 -14.968 -16.251 1.00 0.00 C ATOM 0 H ILE A 13 3.883 -18.316 -14.485 1.00 0.00 H new ATOM 0 HA ILE A 13 5.633 -17.854 -16.662 1.00 0.00 H new ATOM 0 HB ILE A 13 4.341 -16.175 -14.492 1.00 0.00 H new ATOM 0 HG12 ILE A 13 4.123 -16.060 -17.538 1.00 0.00 H new ATOM 0 HG13 ILE A 13 3.094 -17.083 -16.555 1.00 0.00 H new ATOM 0 HG21 ILE A 13 5.250 -14.143 -15.585 1.00 0.00 H new ATOM 0 HG22 ILE A 13 6.552 -15.151 -14.910 1.00 0.00 H new ATOM 0 HG23 ILE A 13 6.235 -15.163 -16.661 1.00 0.00 H new ATOM 0 HD11 ILE A 13 1.992 -14.907 -17.007 1.00 0.00 H new ATOM 0 HD12 ILE A 13 2.321 -15.091 -15.268 1.00 0.00 H new ATOM 0 HD13 ILE A 13 3.366 -14.052 -16.266 1.00 0.00 H new ATOM 207 N PHE A 14 6.884 -17.588 -13.641 1.00 0.00 N ATOM 208 CA PHE A 14 8.121 -17.459 -12.920 1.00 0.00 C ATOM 209 C PHE A 14 9.109 -18.511 -13.400 1.00 0.00 C ATOM 210 O PHE A 14 10.287 -18.227 -13.598 1.00 0.00 O ATOM 211 CB PHE A 14 7.854 -17.600 -11.423 1.00 0.00 C ATOM 212 CG PHE A 14 8.905 -16.850 -10.631 1.00 0.00 C ATOM 213 CD1 PHE A 14 10.233 -17.288 -10.633 1.00 0.00 C ATOM 214 CD2 PHE A 14 8.549 -15.702 -9.911 1.00 0.00 C ATOM 215 CE1 PHE A 14 11.201 -16.578 -9.907 1.00 0.00 C ATOM 216 CE2 PHE A 14 9.516 -14.996 -9.190 1.00 0.00 C ATOM 217 CZ PHE A 14 10.842 -15.433 -9.190 1.00 0.00 C ATOM 0 H PHE A 14 6.059 -17.735 -13.060 1.00 0.00 H new ATOM 0 HA PHE A 14 8.555 -16.476 -13.104 1.00 0.00 H new ATOM 0 HB2 PHE A 14 6.863 -17.212 -11.185 1.00 0.00 H new ATOM 0 HB3 PHE A 14 7.860 -18.653 -11.143 1.00 0.00 H new ATOM 0 HD1 PHE A 14 10.512 -18.169 -11.191 1.00 0.00 H new ATOM 0 HD2 PHE A 14 7.524 -15.362 -9.913 1.00 0.00 H new ATOM 0 HE1 PHE A 14 12.226 -16.917 -9.902 1.00 0.00 H new ATOM 0 HE2 PHE A 14 9.238 -14.113 -8.633 1.00 0.00 H new ATOM 0 HZ PHE A 14 11.591 -14.886 -8.636 1.00 0.00 H new ATOM 227 N VAL A 15 8.603 -19.720 -13.590 1.00 0.00 N ATOM 228 CA VAL A 15 9.422 -20.837 -14.045 1.00 0.00 C ATOM 229 C VAL A 15 10.099 -20.493 -15.360 1.00 0.00 C ATOM 230 O VAL A 15 11.269 -20.794 -15.569 1.00 0.00 O ATOM 231 CB VAL A 15 8.541 -22.073 -14.222 1.00 0.00 C ATOM 232 CG1 VAL A 15 9.432 -23.290 -14.512 1.00 0.00 C ATOM 233 CG2 VAL A 15 7.696 -22.299 -12.941 1.00 0.00 C ATOM 0 H VAL A 15 7.623 -19.955 -13.435 1.00 0.00 H new ATOM 0 HA VAL A 15 10.192 -21.041 -13.301 1.00 0.00 H new ATOM 0 HB VAL A 15 7.860 -21.929 -15.060 1.00 0.00 H new ATOM 0 HG11 VAL A 15 8.809 -24.175 -14.639 1.00 0.00 H new ATOM 0 HG12 VAL A 15 10.003 -23.114 -15.424 1.00 0.00 H new ATOM 0 HG13 VAL A 15 10.118 -23.446 -13.679 1.00 0.00 H new ATOM 0 HG21 VAL A 15 7.069 -23.181 -13.070 1.00 0.00 H new ATOM 0 HG22 VAL A 15 8.359 -22.447 -12.089 1.00 0.00 H new ATOM 0 HG23 VAL A 15 7.065 -21.428 -12.763 1.00 0.00 H new ATOM 243 N ILE A 16 9.361 -19.856 -16.241 1.00 0.00 N ATOM 244 CA ILE A 16 9.920 -19.473 -17.536 1.00 0.00 C ATOM 245 C ILE A 16 11.218 -18.698 -17.339 1.00 0.00 C ATOM 246 O ILE A 16 12.151 -18.827 -18.118 1.00 0.00 O ATOM 247 CB ILE A 16 8.932 -18.603 -18.301 1.00 0.00 C ATOM 248 CG1 ILE A 16 7.576 -19.311 -18.381 1.00 0.00 C ATOM 249 CG2 ILE A 16 9.462 -18.326 -19.709 1.00 0.00 C ATOM 250 CD1 ILE A 16 7.724 -20.712 -18.993 1.00 0.00 C ATOM 0 H ILE A 16 8.386 -19.591 -16.097 1.00 0.00 H new ATOM 0 HA ILE A 16 10.120 -20.381 -18.105 1.00 0.00 H new ATOM 0 HB ILE A 16 8.809 -17.655 -17.778 1.00 0.00 H new ATOM 0 HG12 ILE A 16 7.143 -19.389 -17.384 1.00 0.00 H new ATOM 0 HG13 ILE A 16 6.887 -18.718 -18.982 1.00 0.00 H new ATOM 0 HG21 ILE A 16 8.750 -17.703 -20.250 1.00 0.00 H new ATOM 0 HG22 ILE A 16 10.419 -17.809 -19.642 1.00 0.00 H new ATOM 0 HG23 ILE A 16 9.596 -19.269 -20.240 1.00 0.00 H new ATOM 0 HD11 ILE A 16 6.747 -21.194 -19.039 1.00 0.00 H new ATOM 0 HD12 ILE A 16 8.135 -20.628 -19.999 1.00 0.00 H new ATOM 0 HD13 ILE A 16 8.395 -21.310 -18.376 1.00 0.00 H new ATOM 262 N ALA A 17 11.263 -17.893 -16.295 1.00 0.00 N ATOM 263 CA ALA A 17 12.456 -17.101 -15.994 1.00 0.00 C ATOM 264 C ALA A 17 13.572 -18.003 -15.463 1.00 0.00 C ATOM 265 O ALA A 17 14.756 -17.726 -15.629 1.00 0.00 O ATOM 266 CB ALA A 17 12.093 -16.010 -14.968 1.00 0.00 C ATOM 0 H ALA A 17 10.493 -17.765 -15.638 1.00 0.00 H new ATOM 0 HA ALA A 17 12.819 -16.624 -16.905 1.00 0.00 H new ATOM 0 HB1 ALA A 17 12.978 -15.416 -14.740 1.00 0.00 H new ATOM 0 HB2 ALA A 17 11.320 -15.363 -15.383 1.00 0.00 H new ATOM 0 HB3 ALA A 17 11.724 -16.477 -14.055 1.00 0.00 H new ATOM 272 N LEU A 18 13.174 -19.064 -14.795 1.00 0.00 N ATOM 273 CA LEU A 18 14.117 -19.998 -14.211 1.00 0.00 C ATOM 274 C LEU A 18 14.886 -20.775 -15.269 1.00 0.00 C ATOM 275 O LEU A 18 16.083 -21.022 -15.119 1.00 0.00 O ATOM 276 CB LEU A 18 13.351 -20.946 -13.300 1.00 0.00 C ATOM 277 CG LEU A 18 12.625 -20.161 -12.202 1.00 0.00 C ATOM 278 CD1 LEU A 18 12.117 -21.133 -11.164 1.00 0.00 C ATOM 279 CD2 LEU A 18 13.560 -19.166 -11.529 1.00 0.00 C ATOM 0 H LEU A 18 12.195 -19.304 -14.641 1.00 0.00 H new ATOM 0 HA LEU A 18 14.858 -19.438 -13.640 1.00 0.00 H new ATOM 0 HB2 LEU A 18 12.630 -21.519 -13.884 1.00 0.00 H new ATOM 0 HB3 LEU A 18 14.038 -21.663 -12.850 1.00 0.00 H new ATOM 0 HG LEU A 18 11.801 -19.610 -12.655 1.00 0.00 H new ATOM 0 HD11 LEU A 18 11.598 -20.586 -10.377 1.00 0.00 H new ATOM 0 HD12 LEU A 18 11.429 -21.837 -11.631 1.00 0.00 H new ATOM 0 HD13 LEU A 18 12.957 -21.678 -10.734 1.00 0.00 H new ATOM 0 HD21 LEU A 18 13.018 -18.624 -10.755 1.00 0.00 H new ATOM 0 HD22 LEU A 18 14.397 -19.700 -11.079 1.00 0.00 H new ATOM 0 HD23 LEU A 18 13.936 -18.461 -12.270 1.00 0.00 H new ATOM 291 N ILE A 19 14.207 -21.169 -16.329 1.00 0.00 N ATOM 292 CA ILE A 19 14.870 -21.927 -17.384 1.00 0.00 C ATOM 293 C ILE A 19 16.048 -21.117 -17.928 1.00 0.00 C ATOM 294 O ILE A 19 17.141 -21.640 -18.144 1.00 0.00 O ATOM 295 CB ILE A 19 13.864 -22.284 -18.500 1.00 0.00 C ATOM 296 CG1 ILE A 19 13.748 -21.137 -19.528 1.00 0.00 C ATOM 297 CG2 ILE A 19 12.494 -22.540 -17.863 1.00 0.00 C ATOM 298 CD1 ILE A 19 12.509 -21.327 -20.411 1.00 0.00 C ATOM 0 H ILE A 19 13.216 -20.984 -16.486 1.00 0.00 H new ATOM 0 HA ILE A 19 15.254 -22.863 -16.978 1.00 0.00 H new ATOM 0 HB ILE A 19 14.215 -23.174 -19.022 1.00 0.00 H new ATOM 0 HG12 ILE A 19 13.688 -20.181 -19.009 1.00 0.00 H new ATOM 0 HG13 ILE A 19 14.643 -21.106 -20.149 1.00 0.00 H new ATOM 0 HG21 ILE A 19 11.773 -22.793 -18.640 1.00 0.00 H new ATOM 0 HG22 ILE A 19 12.570 -23.366 -17.156 1.00 0.00 H new ATOM 0 HG23 ILE A 19 12.163 -21.643 -17.339 1.00 0.00 H new ATOM 0 HD11 ILE A 19 12.445 -20.509 -21.129 1.00 0.00 H new ATOM 0 HD12 ILE A 19 12.585 -22.274 -20.946 1.00 0.00 H new ATOM 0 HD13 ILE A 19 11.615 -21.333 -19.787 1.00 0.00 H new ATOM 310 N ILE A 20 15.801 -19.831 -18.118 1.00 0.00 N ATOM 311 CA ILE A 20 16.812 -18.909 -18.605 1.00 0.00 C ATOM 312 C ILE A 20 17.741 -18.495 -17.467 1.00 0.00 C ATOM 313 O ILE A 20 18.960 -18.620 -17.579 1.00 0.00 O ATOM 314 CB ILE A 20 16.136 -17.690 -19.241 1.00 0.00 C ATOM 315 CG1 ILE A 20 17.202 -16.653 -19.636 1.00 0.00 C ATOM 316 CG2 ILE A 20 15.100 -17.075 -18.283 1.00 0.00 C ATOM 317 CD1 ILE A 20 16.526 -15.334 -19.946 1.00 0.00 C ATOM 0 H ILE A 20 14.895 -19.398 -17.939 1.00 0.00 H new ATOM 0 HA ILE A 20 17.416 -19.403 -19.366 1.00 0.00 H new ATOM 0 HB ILE A 20 15.606 -18.009 -20.138 1.00 0.00 H new ATOM 0 HG12 ILE A 20 17.920 -16.525 -18.826 1.00 0.00 H new ATOM 0 HG13 ILE A 20 17.761 -17.001 -20.505 1.00 0.00 H new ATOM 0 HG21 ILE A 20 14.634 -16.211 -18.757 1.00 0.00 H new ATOM 0 HG22 ILE A 20 14.336 -17.816 -18.048 1.00 0.00 H new ATOM 0 HG23 ILE A 20 15.595 -16.761 -17.364 1.00 0.00 H new ATOM 0 HD11 ILE A 20 17.278 -14.597 -20.226 1.00 0.00 H new ATOM 0 HD12 ILE A 20 15.825 -15.469 -20.770 1.00 0.00 H new ATOM 0 HD13 ILE A 20 15.987 -14.986 -19.065 1.00 0.00 H new ATOM 329 N PHE A 21 17.167 -17.981 -16.382 1.00 0.00 N ATOM 330 CA PHE A 21 17.972 -17.535 -15.252 1.00 0.00 C ATOM 331 C PHE A 21 18.420 -18.702 -14.380 1.00 0.00 C ATOM 332 O PHE A 21 19.584 -19.104 -14.443 1.00 0.00 O ATOM 333 CB PHE A 21 17.201 -16.515 -14.416 1.00 0.00 C ATOM 334 CG PHE A 21 16.806 -15.334 -15.285 1.00 0.00 C ATOM 335 CD1 PHE A 21 17.785 -14.603 -15.984 1.00 0.00 C ATOM 336 CD2 PHE A 21 15.458 -14.977 -15.407 1.00 0.00 C ATOM 337 CE1 PHE A 21 17.409 -13.528 -16.794 1.00 0.00 C ATOM 338 CE2 PHE A 21 15.086 -13.900 -16.221 1.00 0.00 C ATOM 339 CZ PHE A 21 16.061 -13.177 -16.915 1.00 0.00 C ATOM 0 H PHE A 21 16.161 -17.865 -16.263 1.00 0.00 H new ATOM 0 HA PHE A 21 18.867 -17.061 -15.655 1.00 0.00 H new ATOM 0 HB2 PHE A 21 16.311 -16.978 -13.989 1.00 0.00 H new ATOM 0 HB3 PHE A 21 17.815 -16.176 -13.582 1.00 0.00 H new ATOM 0 HD1 PHE A 21 18.827 -14.873 -15.894 1.00 0.00 H new ATOM 0 HD2 PHE A 21 14.703 -15.534 -14.872 1.00 0.00 H new ATOM 0 HE1 PHE A 21 18.162 -12.967 -17.328 1.00 0.00 H new ATOM 0 HE2 PHE A 21 14.045 -13.628 -16.313 1.00 0.00 H new ATOM 0 HZ PHE A 21 15.773 -12.348 -17.544 1.00 0.00 H new ATOM 349 N GLY A 22 17.511 -19.257 -13.570 1.00 0.00 N ATOM 350 CA GLY A 22 17.865 -20.382 -12.708 1.00 0.00 C ATOM 351 C GLY A 22 17.411 -20.120 -11.257 1.00 0.00 C ATOM 352 O GLY A 22 17.515 -18.988 -10.786 1.00 0.00 O ATOM 0 H GLY A 22 16.541 -18.949 -13.496 1.00 0.00 H new ATOM 0 HA2 GLY A 22 17.399 -21.294 -13.081 1.00 0.00 H new ATOM 0 HA3 GLY A 22 18.943 -20.542 -12.734 1.00 0.00 H new ATOM 356 N PRO A 23 16.932 -21.124 -10.528 1.00 0.00 N ATOM 357 CA PRO A 23 16.501 -20.945 -9.107 1.00 0.00 C ATOM 358 C PRO A 23 17.696 -20.749 -8.195 1.00 0.00 C ATOM 359 O PRO A 23 17.580 -20.213 -7.097 1.00 0.00 O ATOM 360 CB PRO A 23 15.767 -22.251 -8.735 1.00 0.00 C ATOM 361 CG PRO A 23 15.674 -23.038 -10.001 1.00 0.00 C ATOM 362 CD PRO A 23 16.754 -22.523 -10.942 1.00 0.00 C ATOM 0 HA PRO A 23 15.868 -20.065 -8.994 1.00 0.00 H new ATOM 0 HB2 PRO A 23 16.314 -22.803 -7.970 1.00 0.00 H new ATOM 0 HB3 PRO A 23 14.777 -22.042 -8.331 1.00 0.00 H new ATOM 0 HG2 PRO A 23 15.814 -24.101 -9.803 1.00 0.00 H new ATOM 0 HG3 PRO A 23 14.688 -22.925 -10.451 1.00 0.00 H new ATOM 0 HD2 PRO A 23 17.678 -23.092 -10.842 1.00 0.00 H new ATOM 0 HD3 PRO A 23 16.446 -22.597 -11.985 1.00 0.00 H new ATOM 422 N PRO A 27 19.362 -16.633 -5.485 1.00 0.00 N ATOM 423 CA PRO A 27 20.108 -16.553 -4.210 1.00 0.00 C ATOM 424 C PRO A 27 21.400 -15.716 -4.359 1.00 0.00 C ATOM 425 O PRO A 27 21.660 -14.810 -3.562 1.00 0.00 O ATOM 426 CB PRO A 27 20.471 -18.025 -3.914 1.00 0.00 C ATOM 427 CG PRO A 27 19.690 -18.897 -4.882 1.00 0.00 C ATOM 428 CD PRO A 27 18.760 -17.972 -5.662 1.00 0.00 C ATOM 0 HA PRO A 27 19.526 -16.074 -3.422 1.00 0.00 H new ATOM 0 HB2 PRO A 27 21.542 -18.186 -4.033 1.00 0.00 H new ATOM 0 HB3 PRO A 27 20.223 -18.280 -2.884 1.00 0.00 H new ATOM 0 HG2 PRO A 27 20.364 -19.425 -5.557 1.00 0.00 H new ATOM 0 HG3 PRO A 27 19.119 -19.655 -4.345 1.00 0.00 H new ATOM 0 HD2 PRO A 27 18.709 -18.251 -6.714 1.00 0.00 H new ATOM 0 HD3 PRO A 27 17.742 -18.007 -5.273 1.00 0.00 H new ATOM 436 N GLU A 28 22.214 -16.032 -5.370 1.00 0.00 N ATOM 437 CA GLU A 28 23.470 -15.314 -5.589 1.00 0.00 C ATOM 438 C GLU A 28 23.213 -13.842 -5.914 1.00 0.00 C ATOM 439 O GLU A 28 23.892 -12.954 -5.410 1.00 0.00 O ATOM 440 CB GLU A 28 24.249 -15.986 -6.730 1.00 0.00 C ATOM 441 CG GLU A 28 25.514 -15.183 -7.006 1.00 0.00 C ATOM 442 CD GLU A 28 26.426 -15.903 -7.992 1.00 0.00 C ATOM 443 OE1 GLU A 28 25.971 -16.849 -8.618 1.00 0.00 O ATOM 444 OE2 GLU A 28 27.568 -15.494 -8.111 1.00 0.00 O ATOM 0 H GLU A 28 22.027 -16.774 -6.044 1.00 0.00 H new ATOM 0 HA GLU A 28 24.060 -15.353 -4.674 1.00 0.00 H new ATOM 0 HB2 GLU A 28 24.505 -17.010 -6.459 1.00 0.00 H new ATOM 0 HB3 GLU A 28 23.633 -16.038 -7.627 1.00 0.00 H new ATOM 0 HG2 GLU A 28 25.246 -14.204 -7.404 1.00 0.00 H new ATOM 0 HG3 GLU A 28 26.049 -15.011 -6.072 1.00 0.00 H new ATOM 451 N ILE A 29 22.229 -13.597 -6.754 1.00 0.00 N ATOM 452 CA ILE A 29 21.887 -12.231 -7.134 1.00 0.00 C ATOM 453 C ILE A 29 21.362 -11.459 -5.926 1.00 0.00 C ATOM 454 O ILE A 29 21.719 -10.300 -5.712 1.00 0.00 O ATOM 455 CB ILE A 29 20.821 -12.257 -8.222 1.00 0.00 C ATOM 456 CG1 ILE A 29 21.411 -12.843 -9.501 1.00 0.00 C ATOM 457 CG2 ILE A 29 20.332 -10.834 -8.501 1.00 0.00 C ATOM 458 CD1 ILE A 29 20.278 -13.191 -10.469 1.00 0.00 C ATOM 0 H ILE A 29 21.651 -14.317 -7.188 1.00 0.00 H new ATOM 0 HA ILE A 29 22.783 -11.735 -7.508 1.00 0.00 H new ATOM 0 HB ILE A 29 19.985 -12.871 -7.888 1.00 0.00 H new ATOM 0 HG12 ILE A 29 22.091 -12.127 -9.962 1.00 0.00 H new ATOM 0 HG13 ILE A 29 21.994 -13.734 -9.271 1.00 0.00 H new ATOM 0 HG21 ILE A 29 19.570 -10.857 -9.280 1.00 0.00 H new ATOM 0 HG22 ILE A 29 19.908 -10.410 -7.591 1.00 0.00 H new ATOM 0 HG23 ILE A 29 21.170 -10.220 -8.831 1.00 0.00 H new ATOM 0 HD11 ILE A 29 20.697 -13.610 -11.384 1.00 0.00 H new ATOM 0 HD12 ILE A 29 19.615 -13.922 -10.006 1.00 0.00 H new ATOM 0 HD13 ILE A 29 19.714 -12.289 -10.708 1.00 0.00 H new ATOM 470 N GLY A 30 20.501 -12.104 -5.148 1.00 0.00 N ATOM 471 CA GLY A 30 19.922 -11.460 -3.976 1.00 0.00 C ATOM 472 C GLY A 30 21.010 -11.051 -2.995 1.00 0.00 C ATOM 473 O GLY A 30 20.982 -9.949 -2.448 1.00 0.00 O ATOM 0 H GLY A 30 20.191 -13.063 -5.305 1.00 0.00 H new ATOM 0 HA2 GLY A 30 19.352 -10.582 -4.281 1.00 0.00 H new ATOM 0 HA3 GLY A 30 19.223 -12.140 -3.489 1.00 0.00 H new ATOM 477 N ARG A 31 21.968 -11.941 -2.781 1.00 0.00 N ATOM 478 CA ARG A 31 23.061 -11.663 -1.868 1.00 0.00 C ATOM 479 C ARG A 31 23.893 -10.503 -2.373 1.00 0.00 C ATOM 480 O ARG A 31 24.252 -9.599 -1.619 1.00 0.00 O ATOM 481 CB ARG A 31 23.953 -12.887 -1.803 1.00 0.00 C ATOM 482 CG ARG A 31 23.233 -14.016 -1.074 1.00 0.00 C ATOM 483 CD ARG A 31 23.930 -15.324 -1.378 1.00 0.00 C ATOM 484 NE ARG A 31 23.529 -16.351 -0.419 1.00 0.00 N ATOM 485 CZ ARG A 31 23.864 -17.627 -0.588 1.00 0.00 C ATOM 486 NH1 ARG A 31 24.549 -17.993 -1.637 1.00 0.00 N ATOM 487 NH2 ARG A 31 23.502 -18.517 0.295 1.00 0.00 N ATOM 0 H ARG A 31 22.009 -12.858 -3.226 1.00 0.00 H new ATOM 0 HA ARG A 31 22.652 -11.415 -0.889 1.00 0.00 H new ATOM 0 HB2 ARG A 31 24.222 -13.206 -2.810 1.00 0.00 H new ATOM 0 HB3 ARG A 31 24.882 -12.644 -1.287 1.00 0.00 H new ATOM 0 HG2 ARG A 31 23.233 -13.830 0.000 1.00 0.00 H new ATOM 0 HG3 ARG A 31 22.191 -14.063 -1.389 1.00 0.00 H new ATOM 0 HD2 ARG A 31 23.685 -15.647 -2.390 1.00 0.00 H new ATOM 0 HD3 ARG A 31 25.010 -15.185 -1.341 1.00 0.00 H new ATOM 0 HE ARG A 31 22.980 -16.083 0.398 1.00 0.00 H new ATOM 0 HH11 ARG A 31 24.829 -17.300 -2.331 1.00 0.00 H new ATOM 0 HH12 ARG A 31 24.804 -18.972 -1.763 1.00 0.00 H new ATOM 0 HH21 ARG A 31 22.963 -18.234 1.113 1.00 0.00 H new ATOM 0 HH22 ARG A 31 23.758 -19.496 0.167 1.00 0.00 H new ATOM 501 N ALA A 32 24.209 -10.546 -3.656 1.00 0.00 N ATOM 502 CA ALA A 32 25.020 -9.500 -4.252 1.00 0.00 C ATOM 503 C ALA A 32 24.297 -8.164 -4.145 1.00 0.00 C ATOM 504 O ALA A 32 24.879 -7.160 -3.733 1.00 0.00 O ATOM 505 CB ALA A 32 25.302 -9.816 -5.718 1.00 0.00 C ATOM 0 H ALA A 32 23.920 -11.284 -4.298 1.00 0.00 H new ATOM 0 HA ALA A 32 25.968 -9.444 -3.716 1.00 0.00 H new ATOM 0 HB1 ALA A 32 25.911 -9.022 -6.151 1.00 0.00 H new ATOM 0 HB2 ALA A 32 25.836 -10.763 -5.790 1.00 0.00 H new ATOM 0 HB3 ALA A 32 24.360 -9.888 -6.262 1.00 0.00 H new ATOM 511 N ALA A 33 23.015 -8.169 -4.489 1.00 0.00 N ATOM 512 CA ALA A 33 22.204 -6.962 -4.400 1.00 0.00 C ATOM 513 C ALA A 33 22.076 -6.555 -2.943 1.00 0.00 C ATOM 514 O ALA A 33 21.887 -5.383 -2.620 1.00 0.00 O ATOM 515 CB ALA A 33 20.805 -7.222 -4.968 1.00 0.00 C ATOM 0 H ALA A 33 22.517 -8.991 -4.830 1.00 0.00 H new ATOM 0 HA ALA A 33 22.683 -6.169 -4.974 1.00 0.00 H new ATOM 0 HB1 ALA A 33 20.208 -6.313 -4.896 1.00 0.00 H new ATOM 0 HB2 ALA A 33 20.886 -7.521 -6.013 1.00 0.00 H new ATOM 0 HB3 ALA A 33 20.324 -8.018 -4.400 1.00 0.00 H new ATOM 521 N GLY A 34 22.150 -7.553 -2.071 1.00 0.00 N ATOM 522 CA GLY A 34 22.008 -7.310 -0.653 1.00 0.00 C ATOM 523 C GLY A 34 23.004 -6.259 -0.177 1.00 0.00 C ATOM 524 O GLY A 34 22.653 -5.352 0.578 1.00 0.00 O ATOM 0 H GLY A 34 22.306 -8.529 -2.324 1.00 0.00 H new ATOM 0 HA2 GLY A 34 20.992 -6.978 -0.437 1.00 0.00 H new ATOM 0 HA3 GLY A 34 22.163 -8.239 -0.104 1.00 0.00 H new ATOM 528 N ARG A 35 24.248 -6.385 -0.629 1.00 0.00 N ATOM 529 CA ARG A 35 25.291 -5.436 -0.249 1.00 0.00 C ATOM 530 C ARG A 35 24.994 -4.059 -0.822 1.00 0.00 C ATOM 531 O ARG A 35 25.154 -3.045 -0.148 1.00 0.00 O ATOM 532 CB ARG A 35 26.650 -5.923 -0.761 1.00 0.00 C ATOM 533 CG ARG A 35 26.755 -7.441 -0.580 1.00 0.00 C ATOM 534 CD ARG A 35 26.381 -7.822 0.856 1.00 0.00 C ATOM 535 NE ARG A 35 26.973 -9.110 1.211 1.00 0.00 N ATOM 536 CZ ARG A 35 26.308 -10.255 1.055 1.00 0.00 C ATOM 537 NH1 ARG A 35 25.105 -10.253 0.548 1.00 0.00 N ATOM 538 NH2 ARG A 35 26.867 -11.381 1.404 1.00 0.00 N ATOM 0 H ARG A 35 24.558 -7.129 -1.254 1.00 0.00 H new ATOM 0 HA ARG A 35 25.316 -5.366 0.838 1.00 0.00 H new ATOM 0 HB2 ARG A 35 26.768 -5.663 -1.813 1.00 0.00 H new ATOM 0 HB3 ARG A 35 27.454 -5.426 -0.218 1.00 0.00 H new ATOM 0 HG2 ARG A 35 26.094 -7.946 -1.284 1.00 0.00 H new ATOM 0 HG3 ARG A 35 27.769 -7.773 -0.801 1.00 0.00 H new ATOM 0 HD2 ARG A 35 26.728 -7.052 1.545 1.00 0.00 H new ATOM 0 HD3 ARG A 35 25.297 -7.873 0.955 1.00 0.00 H new ATOM 0 HE ARG A 35 27.920 -9.134 1.588 1.00 0.00 H new ATOM 0 HH11 ARG A 35 24.670 -9.373 0.270 1.00 0.00 H new ATOM 0 HH12 ARG A 35 24.600 -11.131 0.430 1.00 0.00 H new ATOM 0 HH21 ARG A 35 27.809 -11.383 1.795 1.00 0.00 H new ATOM 0 HH22 ARG A 35 26.362 -12.259 1.286 1.00 0.00 H new ATOM 552 N THR A 36 24.559 -4.047 -2.071 1.00 0.00 N ATOM 553 CA THR A 36 24.230 -2.807 -2.754 1.00 0.00 C ATOM 554 C THR A 36 23.056 -2.119 -2.070 1.00 0.00 C ATOM 555 O THR A 36 23.055 -0.908 -1.879 1.00 0.00 O ATOM 556 CB THR A 36 23.887 -3.122 -4.219 1.00 0.00 C ATOM 557 OG1 THR A 36 25.084 -3.357 -4.944 1.00 0.00 O ATOM 558 CG2 THR A 36 23.119 -1.962 -4.852 1.00 0.00 C ATOM 0 H THR A 36 24.425 -4.886 -2.635 1.00 0.00 H new ATOM 0 HA THR A 36 25.085 -2.132 -2.716 1.00 0.00 H new ATOM 0 HB THR A 36 23.258 -4.012 -4.250 1.00 0.00 H new ATOM 0 HG1 THR A 36 24.866 -3.560 -5.878 1.00 0.00 H new ATOM 0 HG21 THR A 36 22.885 -2.203 -5.889 1.00 0.00 H new ATOM 0 HG22 THR A 36 22.194 -1.794 -4.301 1.00 0.00 H new ATOM 0 HG23 THR A 36 23.730 -1.060 -4.818 1.00 0.00 H new ATOM 566 N LEU A 37 22.048 -2.893 -1.723 1.00 0.00 N ATOM 567 CA LEU A 37 20.876 -2.338 -1.077 1.00 0.00 C ATOM 568 C LEU A 37 21.185 -1.893 0.342 1.00 0.00 C ATOM 569 O LEU A 37 20.642 -0.905 0.836 1.00 0.00 O ATOM 570 CB LEU A 37 19.774 -3.370 -1.058 1.00 0.00 C ATOM 571 CG LEU A 37 19.270 -3.599 -2.495 1.00 0.00 C ATOM 572 CD1 LEU A 37 18.660 -4.995 -2.619 1.00 0.00 C ATOM 573 CD2 LEU A 37 18.195 -2.561 -2.859 1.00 0.00 C ATOM 0 H LEU A 37 22.016 -3.901 -1.876 1.00 0.00 H new ATOM 0 HA LEU A 37 20.557 -1.463 -1.643 1.00 0.00 H new ATOM 0 HB2 LEU A 37 20.142 -4.305 -0.636 1.00 0.00 H new ATOM 0 HB3 LEU A 37 18.955 -3.034 -0.422 1.00 0.00 H new ATOM 0 HG LEU A 37 20.118 -3.500 -3.172 1.00 0.00 H new ATOM 0 HD11 LEU A 37 18.306 -5.148 -3.639 1.00 0.00 H new ATOM 0 HD12 LEU A 37 19.415 -5.744 -2.380 1.00 0.00 H new ATOM 0 HD13 LEU A 37 17.823 -5.089 -1.927 1.00 0.00 H new ATOM 0 HD21 LEU A 37 17.849 -2.737 -3.878 1.00 0.00 H new ATOM 0 HD22 LEU A 37 17.355 -2.650 -2.170 1.00 0.00 H new ATOM 0 HD23 LEU A 37 18.618 -1.559 -2.787 1.00 0.00 H new ATOM 585 N LEU A 38 22.044 -2.652 0.991 1.00 0.00 N ATOM 586 CA LEU A 38 22.425 -2.374 2.364 1.00 0.00 C ATOM 587 C LEU A 38 23.014 -0.981 2.472 1.00 0.00 C ATOM 588 O LEU A 38 22.743 -0.263 3.422 1.00 0.00 O ATOM 589 CB LEU A 38 23.468 -3.410 2.809 1.00 0.00 C ATOM 590 CG LEU A 38 23.967 -3.114 4.237 1.00 0.00 C ATOM 591 CD1 LEU A 38 22.978 -3.674 5.262 1.00 0.00 C ATOM 592 CD2 LEU A 38 25.338 -3.760 4.439 1.00 0.00 C ATOM 0 H LEU A 38 22.495 -3.473 0.587 1.00 0.00 H new ATOM 0 HA LEU A 38 21.544 -2.432 3.004 1.00 0.00 H new ATOM 0 HB2 LEU A 38 23.033 -4.409 2.772 1.00 0.00 H new ATOM 0 HB3 LEU A 38 24.310 -3.404 2.117 1.00 0.00 H new ATOM 0 HG LEU A 38 24.048 -2.036 4.374 1.00 0.00 H new ATOM 0 HD11 LEU A 38 23.338 -3.461 6.269 1.00 0.00 H new ATOM 0 HD12 LEU A 38 22.003 -3.208 5.119 1.00 0.00 H new ATOM 0 HD13 LEU A 38 22.888 -4.752 5.130 1.00 0.00 H new ATOM 0 HD21 LEU A 38 25.693 -3.552 5.448 1.00 0.00 H new ATOM 0 HD22 LEU A 38 25.257 -4.838 4.298 1.00 0.00 H new ATOM 0 HD23 LEU A 38 26.043 -3.351 3.715 1.00 0.00 H new ATOM 604 N GLU A 39 23.834 -0.607 1.521 1.00 0.00 N ATOM 605 CA GLU A 39 24.438 0.712 1.558 1.00 0.00 C ATOM 606 C GLU A 39 23.406 1.773 1.183 1.00 0.00 C ATOM 607 O GLU A 39 23.574 2.950 1.500 1.00 0.00 O ATOM 608 CB GLU A 39 25.641 0.781 0.618 1.00 0.00 C ATOM 609 CG GLU A 39 25.225 0.282 -0.746 1.00 0.00 C ATOM 610 CD GLU A 39 26.315 0.572 -1.772 1.00 0.00 C ATOM 611 OE1 GLU A 39 26.984 1.582 -1.625 1.00 0.00 O ATOM 612 OE2 GLU A 39 26.456 -0.212 -2.695 1.00 0.00 O ATOM 0 H GLU A 39 24.099 -1.183 0.722 1.00 0.00 H new ATOM 0 HA GLU A 39 24.787 0.905 2.572 1.00 0.00 H new ATOM 0 HB2 GLU A 39 26.007 1.805 0.549 1.00 0.00 H new ATOM 0 HB3 GLU A 39 26.459 0.175 1.008 1.00 0.00 H new ATOM 0 HG2 GLU A 39 25.031 -0.790 -0.705 1.00 0.00 H new ATOM 0 HG3 GLU A 39 24.295 0.763 -1.048 1.00 0.00 H new ATOM 619 N PHE A 40 22.347 1.356 0.478 1.00 0.00 N ATOM 620 CA PHE A 40 21.316 2.296 0.042 1.00 0.00 C ATOM 621 C PHE A 40 20.583 2.923 1.226 1.00 0.00 C ATOM 622 O PHE A 40 20.408 4.140 1.288 1.00 0.00 O ATOM 623 CB PHE A 40 20.319 1.545 -0.866 1.00 0.00 C ATOM 624 CG PHE A 40 20.164 2.239 -2.200 1.00 0.00 C ATOM 625 CD1 PHE A 40 19.909 3.613 -2.245 1.00 0.00 C ATOM 626 CD2 PHE A 40 20.286 1.507 -3.390 1.00 0.00 C ATOM 627 CE1 PHE A 40 19.771 4.260 -3.477 1.00 0.00 C ATOM 628 CE2 PHE A 40 20.149 2.155 -4.624 1.00 0.00 C ATOM 629 CZ PHE A 40 19.893 3.531 -4.668 1.00 0.00 C ATOM 0 H PHE A 40 22.185 0.387 0.202 1.00 0.00 H new ATOM 0 HA PHE A 40 21.791 3.109 -0.507 1.00 0.00 H new ATOM 0 HB2 PHE A 40 20.665 0.523 -1.023 1.00 0.00 H new ATOM 0 HB3 PHE A 40 19.350 1.481 -0.372 1.00 0.00 H new ATOM 0 HD1 PHE A 40 19.819 4.175 -1.327 1.00 0.00 H new ATOM 0 HD2 PHE A 40 20.485 0.446 -3.355 1.00 0.00 H new ATOM 0 HE1 PHE A 40 19.571 5.321 -3.511 1.00 0.00 H new ATOM 0 HE2 PHE A 40 20.241 1.593 -5.542 1.00 0.00 H new ATOM 0 HZ PHE A 40 19.790 4.031 -5.620 1.00 0.00 H new ATOM 639 N LYS A 41 20.146 2.083 2.149 1.00 0.00 N ATOM 640 CA LYS A 41 19.420 2.564 3.312 1.00 0.00 C ATOM 641 C LYS A 41 20.312 3.449 4.169 1.00 0.00 C ATOM 642 O LYS A 41 19.853 4.418 4.772 1.00 0.00 O ATOM 643 CB LYS A 41 18.908 1.385 4.127 1.00 0.00 C ATOM 644 CG LYS A 41 20.080 0.480 4.549 1.00 0.00 C ATOM 645 CD LYS A 41 20.238 0.495 6.078 1.00 0.00 C ATOM 646 CE LYS A 41 21.362 -0.452 6.487 1.00 0.00 C ATOM 647 NZ LYS A 41 20.810 -1.826 6.642 1.00 0.00 N ATOM 0 H LYS A 41 20.280 1.072 2.117 1.00 0.00 H new ATOM 0 HA LYS A 41 18.571 3.157 2.974 1.00 0.00 H new ATOM 0 HB2 LYS A 41 18.381 1.746 5.011 1.00 0.00 H new ATOM 0 HB3 LYS A 41 18.190 0.812 3.540 1.00 0.00 H new ATOM 0 HG2 LYS A 41 19.905 -0.539 4.204 1.00 0.00 H new ATOM 0 HG3 LYS A 41 21.001 0.822 4.077 1.00 0.00 H new ATOM 0 HD2 LYS A 41 20.458 1.506 6.421 1.00 0.00 H new ATOM 0 HD3 LYS A 41 19.304 0.194 6.553 1.00 0.00 H new ATOM 0 HE2 LYS A 41 22.151 -0.446 5.735 1.00 0.00 H new ATOM 0 HE3 LYS A 41 21.812 -0.120 7.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 21.547 -2.456 7.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 20.004 -1.804 7.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 20.492 -2.179 5.717 1.00 0.00 H new ATOM 661 N SER A 42 21.590 3.106 4.212 1.00 0.00 N ATOM 662 CA SER A 42 22.551 3.869 4.990 1.00 0.00 C ATOM 663 C SER A 42 22.694 5.268 4.406 1.00 0.00 C ATOM 664 O SER A 42 22.756 6.254 5.140 1.00 0.00 O ATOM 665 CB SER A 42 23.899 3.161 4.975 1.00 0.00 C ATOM 666 OG SER A 42 23.819 1.979 5.762 1.00 0.00 O ATOM 0 H SER A 42 21.984 2.306 3.718 1.00 0.00 H new ATOM 0 HA SER A 42 22.199 3.948 6.019 1.00 0.00 H new ATOM 0 HB2 SER A 42 24.180 2.912 3.952 1.00 0.00 H new ATOM 0 HB3 SER A 42 24.673 3.821 5.367 1.00 0.00 H new ATOM 0 HG SER A 42 24.685 1.520 5.753 1.00 0.00 H new ATOM 672 N ALA A 43 22.726 5.348 3.079 1.00 0.00 N ATOM 673 CA ALA A 43 22.837 6.636 2.408 1.00 0.00 C ATOM 674 C ALA A 43 21.525 7.404 2.533 1.00 0.00 C ATOM 675 O ALA A 43 21.517 8.600 2.804 1.00 0.00 O ATOM 676 CB ALA A 43 23.183 6.432 0.930 1.00 0.00 C ATOM 0 H ALA A 43 22.677 4.544 2.453 1.00 0.00 H new ATOM 0 HA ALA A 43 23.633 7.212 2.881 1.00 0.00 H new ATOM 0 HB1 ALA A 43 23.264 7.401 0.438 1.00 0.00 H new ATOM 0 HB2 ALA A 43 24.133 5.904 0.848 1.00 0.00 H new ATOM 0 HB3 ALA A 43 22.399 5.846 0.450 1.00 0.00 H new ATOM 682 N THR A 44 20.419 6.693 2.349 1.00 0.00 N ATOM 683 CA THR A 44 19.097 7.288 2.454 1.00 0.00 C ATOM 684 C THR A 44 18.827 7.787 3.871 1.00 0.00 C ATOM 685 O THR A 44 18.288 8.875 4.063 1.00 0.00 O ATOM 686 CB THR A 44 18.053 6.243 2.039 1.00 0.00 C ATOM 687 OG1 THR A 44 17.946 6.215 0.623 1.00 0.00 O ATOM 688 CG2 THR A 44 16.695 6.544 2.670 1.00 0.00 C ATOM 0 H THR A 44 20.415 5.698 2.125 1.00 0.00 H new ATOM 0 HA THR A 44 19.038 8.152 1.792 1.00 0.00 H new ATOM 0 HB THR A 44 18.376 5.265 2.396 1.00 0.00 H new ATOM 0 HG1 THR A 44 17.280 5.546 0.358 1.00 0.00 H new ATOM 0 HG21 THR A 44 15.974 5.788 2.359 1.00 0.00 H new ATOM 0 HG22 THR A 44 16.788 6.532 3.756 1.00 0.00 H new ATOM 0 HG23 THR A 44 16.353 7.527 2.346 1.00 0.00 H new ATOM 696 N LYS A 45 19.192 6.977 4.852 1.00 0.00 N ATOM 697 CA LYS A 45 18.967 7.334 6.243 1.00 0.00 C ATOM 698 C LYS A 45 19.566 8.698 6.531 1.00 0.00 C ATOM 699 O LYS A 45 19.099 9.416 7.403 1.00 0.00 O ATOM 700 CB LYS A 45 19.598 6.284 7.162 1.00 0.00 C ATOM 701 CG LYS A 45 19.549 6.755 8.641 1.00 0.00 C ATOM 702 CD LYS A 45 20.924 7.273 9.091 1.00 0.00 C ATOM 703 CE LYS A 45 21.828 6.102 9.484 1.00 0.00 C ATOM 704 NZ LYS A 45 23.125 6.630 9.994 1.00 0.00 N ATOM 0 H LYS A 45 19.643 6.073 4.712 1.00 0.00 H new ATOM 0 HA LYS A 45 17.894 7.370 6.429 1.00 0.00 H new ATOM 0 HB2 LYS A 45 19.069 5.337 7.058 1.00 0.00 H new ATOM 0 HB3 LYS A 45 20.632 6.106 6.865 1.00 0.00 H new ATOM 0 HG2 LYS A 45 18.804 7.542 8.753 1.00 0.00 H new ATOM 0 HG3 LYS A 45 19.239 5.929 9.281 1.00 0.00 H new ATOM 0 HD2 LYS A 45 21.386 7.845 8.286 1.00 0.00 H new ATOM 0 HD3 LYS A 45 20.806 7.951 9.937 1.00 0.00 H new ATOM 0 HE2 LYS A 45 21.344 5.495 10.249 1.00 0.00 H new ATOM 0 HE3 LYS A 45 21.999 5.455 8.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 23.742 5.836 10.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 23.587 7.192 9.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 22.953 7.230 10.825 1.00 0.00 H new ATOM 718 N SER A 46 20.608 9.046 5.800 1.00 0.00 N ATOM 719 CA SER A 46 21.255 10.332 5.996 1.00 0.00 C ATOM 720 C SER A 46 20.437 11.463 5.359 1.00 0.00 C ATOM 721 O SER A 46 20.486 12.606 5.815 1.00 0.00 O ATOM 722 CB SER A 46 22.659 10.286 5.402 1.00 0.00 C ATOM 723 OG SER A 46 23.553 9.728 6.355 1.00 0.00 O ATOM 0 H SER A 46 21.022 8.464 5.072 1.00 0.00 H new ATOM 0 HA SER A 46 21.321 10.535 7.065 1.00 0.00 H new ATOM 0 HB2 SER A 46 22.661 9.688 4.490 1.00 0.00 H new ATOM 0 HB3 SER A 46 22.983 11.290 5.126 1.00 0.00 H new ATOM 0 HG SER A 46 24.456 9.695 5.976 1.00 0.00 H new